G4VT40_SCHMA Loading...

Pyruvate dehydrogenase E1 component subunit alpha

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2).

AlphaFold DB , UniProt , Accession G4VT40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 aa.

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(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	36.9	Very low	32.2	Very low	244 Å²	244	150.5 Å²	150.5	100%	1.202	86%	0.858	S	S	*	*				0	127.6	0	-68.4	-172.8	-141	0	0	107.9
2	A	34.6	Very low	31.7	Very low	94 Å²	94	151.7 Å²	151.7	78%	0.777	86%	0.86	S	S	*	*			trans	49.8	94.5	175.2	0	0	0	0	0	117.6
3	S	35	Very low	31.5	Very low	122 Å²	122	151.4 Å²	151.4	85%	0.853	84%	0.843	S	S	*	*				73.7	118.4	62.3	78.4	0	0	0	0	115.4
4	G	35.1	Very low	31.2	Very low	80 Å²	80	149.2 Å²	149.2	83%	0.825	84%	0.836	S	S	*	*			trans	178	81.5	165.9	0	0	0	0	0	112.5
5	L	32.8	Very low	31.1	Very low	163 Å²	163	151.1 Å²	151.1	85%	0.853	83%	0.832	S	S	*	*			trans	-73.6	147	173.4	-83.7	92.8	0	0	0	112
6	A	35.8	Very low	30.8	Very low	104 Å²	104	155.7 Å²	155.7	86%	0.86	83%	0.833	S	S	*	*				-157.5	120	129	0	0	0	0	0	110.9
7	R	29.4	Very low	30.7	Very low	235 Å²	235	152.6 Å²	152.6	89%	0.887	83%	0.826	S	S	*	*			trans	-86.1	148.2	167.6	-76.6	174.9	166.7	-176.4	-4.1	109
8	S	30.5	Very low	30.8	Very low	105 Å²	105	149.8 Å²	149.8	73%	0.734	82%	0.817	S	S	*	*				165.7	112.1	126.8	171.8	0	0	0	0	114.3
9	K	28.2	Very low	30.7	Very low	185 Å²	185	153.7 Å²	153.7	80%	0.804	82%	0.819	S	S	*	*			trans	65.5	132.8	132.3	-72.3	-176.7	175.7	179.9	0	123.3
10	L	26.4	Very low	30.8	Very low	155 Å²	155	153.7 Å²	153.7	81%	0.812	82%	0.819	S	S	*	*			trans	72.4	105.6	148.5	-89.8	95.1	0	0	0	118.7
11	M	30	Very low	31.1	Very low	169 Å²	169	151.6 Å²	151.6	83%	0.833	81%	0.814	S	S	*	*				-165.7	115.5	114.5	-105	164.9	117.8	0	0	110	F13	M11-F13 PolarHBondContact O-N 2.74Å
12	N	25.3	Very low	30.9	Very low	164 Å²	164	145.6 Å²	145.6	88%	0.877	79%	0.791	S	S	*	*			trans	-67.1	111.6	164.2	-83.3	-29.1	0	0	0	108.2
13	F	29	Very low	30.9	Very low	148 Å²	148	145.6 Å²	145.6	65%	0.649	79%	0.785	S	S	*	*			trans	-108.4	93	161.7	-123.5	-88.8	0	0	0	108.5	M11 F15	M11-F13 PolarHBondContact O-N 2.74Å; F13-F15 HydrophobicContact CB-CD2 4.47Å; F13-F15 AromaticContact CD1-CD2 3.75Å; F13-F15 HydrophobicContact CD1-CD2 3.75Å; F13-F15 AromaticContact CD1-CE2 3.49Å; F13-F15 HydrophobicContact CD1-CE2 3.49Å; F13-F15 VanDerWaalsContact CD1-CE2 3.49Å; F13-F15 HydrophobicContact CD1-CZ 4.08Å; F13-F15 HydrophobicContact CE1-CE2 4.05Å; F13-F15 HydrophobicContact CE1-CZ 4.18Å; F13-F15 HydrophobicContact CG-CE2 4.31Å; F13-F15 PolarHBondContact O-N 2.94Å; F13-F15 VanDerWaalsContact O-N 3.14Å
14	V	27.4	Very low	30.8	Very low	121 Å²	121	147.2 Å²	147.2	73%	0.733	78%	0.783	S	S	*	*			trans	-72.3	96.7	163.5	175.6	0	0	0	0	106.4	R16	V14-R16 HydrophobicContact CG1-CG 4.39Å; V14-R16 PolarHBondContact O-N 3.12Å; V14-R16 VanDerWaalsContact O-N 3.07Å
15	F	30.5	Very low	31.1	Very low	178 Å²	178	150.2 Å²	150.2	78%	0.781	78%	0.779	S	S	*	*			trans	-72.8	95.2	164	-94.5	-84.1	0	0	0	108.4	F13 S17	F13-F15 HydrophobicContact CB-CD2 4.47Å; F13-F15 AromaticContact CD1-CD2 3.75Å; F13-F15 HydrophobicContact CD1-CD2 3.75Å; F13-F15 AromaticContact CD1-CE2 3.49Å; F13-F15 HydrophobicContact CD1-CE2 3.49Å; F13-F15 VanDerWaalsContact CD1-CE2 3.49Å; F13-F15 HydrophobicContact CD1-CZ 4.08Å; F13-F15 HydrophobicContact CE1-CE2 4.05Å; F13-F15 HydrophobicContact CE1-CZ 4.18Å; F13-F15 HydrophobicContact CG-CE2 4.31Å; F13-F15 PolarHBondContact O-N 2.94Å; F13-F15 VanDerWaalsContact O-N 3.14Å; F15-S17 PolarHBondContact O-N 3.29Å
16	R	26.3	Very low	31.9	Very low	224 Å²	224	146.5 Å²	146.5	85%	0.845	75%	0.754	S	S	*	*			trans	-64.7	110.9	155.5	-80.5	-177.8	170.9	-168.4	-2.8	107.2	V14 P18	V14-R16 HydrophobicContact CG1-CG 4.39Å; V14-R16 PolarHBondContact O-N 3.12Å; V14-R16 VanDerWaalsContact O-N 3.07Å; R16-P18 WeakPolarHBondContact O-CD 3.26Å
17	S	29	Very low	32.6	Very low	103 Å²	103	151.5 Å²	151.5	72%	0.72	75%	0.751	S	S	*	*			trans	-81.3	124.1	161.8	169.6	0	0	0	0	108.7	F15	F15-S17 PolarHBondContact O-N 3.29Å
18	P	31.8	Very low	33.9	Very low	102 Å²	102	143 Å²	143	66%	0.662	73%	0.726	S	S	*	*			trans	-115.2	72.9	167.6	36.9	-21.3	0	0	0	109.1	R16	R16-P18 WeakPolarHBondContact O-CD 3.26Å
19	W	30.1	Very low	35.6	Very low	225 Å²	225	145.5 Å²	145.5	85%	0.852	73%	0.726	S	S	*	*			trans	-141.7	82.3	168.7	-63.4	93.5	0	0	0	109.6	P21	W19-P21 WeakPolarHBondContact O-CD 3Å
20	N	30.9	Very low	37.8	Very low	153 Å²	153	139.5 Å²	139.5	82%	0.818	71%	0.706	S	S	*	*			trans	-96.6	99.4	158.8	-156.3	14.7	0	0	0	105.1	V22	N20-V22 PolarHBondContact O-N 3.23Å
21	P	37.7	Very low	40.9	Very low	110 Å²	110	136.8 Å²	136.8	71%	0.714	70%	0.701	S	S	*	*			trans	-71.2	109.8	170	29.2	-26.2	0	0	0	105.1	W19 S23	W19-P21 WeakPolarHBondContact O-CD 3Å; P21-S23 PolarHBondContact O-N 3.33Å
22	V	32.6	Very low	44.1	Very low	118 Å²	118	130.3 Å²	130.3	72%	0.715	67%	0.672	S	S	*	*			trans	-53.8	101	155	177.4	0	0	0	0	104.4	N20 L24	N20-V22 PolarHBondContact O-N 3.23Å; V22-L24 PolarHBondContact O-N 2.68Å
23	S	34.1	Very low	47.4	Very low	93 Å²	93	123.2 Å²	123.2	65%	0.65	64%	0.636	S	S	*	*			trans	-60.2	97.9	163.6	58.2	0	0	0	0	104.5	P21 I25	P21-S23 PolarHBondContact O-N 3.33Å; S23-I25 VanDerWaalsContact C-N 3.25Å; S23-I25 PolarHBondContact O-N 3.07Å
24	L	33	Very low	50.7	Low	157 Å²	157	123.2 Å²	123.2	82%	0.822	64%	0.636	S	S	*	*			trans	-52.5	106.9	158.4	-100.8	103.8	0	0	0	104.3	V22 Y26	V22-L24 PolarHBondContact O-N 2.68Å; L24-Y26 PolarHBondContact O-N 2.92Å
25	I	42.3	Very low	54	Low	142 Å²	142	117.8 Å²	117.8	73%	0.728	60%	0.602	S	S	*	*			trans	-64.4	92.7	168.4	-62.2	172.2	0	0	0	103.5	S23 R27	S23-I25 VanDerWaalsContact C-N 3.25Å; S23-I25 PolarHBondContact O-N 3.07Å; I25-R27 PolarHBondContact O-N 3.14Å
26	Y	49.3	Very low	57.1	Low	86 Å²	86	113.9 Å²	113.9	34%	0.337	60%	0.597	S	S	.	*			trans	-57.8	108.6	169.5	175.1	-102.4	0	0	0	106	L24 P28 T330	L24-Y26 PolarHBondContact O-N 2.92Å; Y26-P28 HydrophobicContact CE1-CB 4.33Å; Y26-T330 HydrophobicContact CD1-CG2 3.8Å; Y26-T330 HydrophobicContact CD2-CG2 3.69Å; Y26-T330 HydrophobicContact CE1-CG2 3.45Å; Y26-T330 VanDerWaalsContact CE1-CG2 3.45Å; Y26-T330 HydrophobicContact CE2-CG2 3.34Å; Y26-T330 HydrophobicContact CG-CG2 3.91Å
27	R	51.4	Low	60.5	Low	209 Å²	209	104 Å²	104	79%	0.789	56%	0.561	S	S	*	*			trans	-82.4	122.7	166.7	-74.3	-172.4	178.1	-170	-0.1	105.6	I25 E29	I25-R27 PolarHBondContact O-N 3.14Å; R27-E29 PolarHBondContact O-N 2.78Å
28	P	56.7	Low	63.6	Low	57 Å²	57	100.8 Å²	100.8	37%	0.37	54%	0.539	S	S	.	.			trans	-54	133.6	173.9	21.4	-30	0	0	0	109.3	Y26 C30	Y26-P28 HydrophobicContact CE1-CB 4.33Å; P28-C30 PolarHBondContact O-N 3.33Å
29	E	64.8	Low	66.7	Low	156 Å²	156	102.4 Å²	102.4	73%	0.729	54%	0.542	S	S	*	.	S	Bend	trans	-65.8	-25.5	-177.4	-69.8	-175.8	168.6	0	0	111.3	R27	R27-E29 PolarHBondContact O-N 2.78Å
30	C	75.2	Confident	69.9	Low	59 Å²	59	93 Å²	93	40%	0.399	51%	0.506	S	S	.	.			trans	-140.9	141	178.1	-89.2	0	0	0	0	112.8	P28 S32 L328	P28-C30 PolarHBondContact O-N 3.33Å; C30-S32 WeakPolarHBondContact CB-O 3.26Å; C30-L328 HydrophobicContact CB-CD2 4.38Å
31	S	92.1	Very high	73	Confident	99 Å²	99	91 Å²	91	69%	0.692	49%	0.49	S	S	*	.	S	Bend	trans	-80.4	-22.3	172.8	61.7	0	0	0	0	112.7	S56 R57	S31-S56 WeakPolarHBondContact O-CA 3.49Å; S31-R57 PolarHBondContact O-N 3.44Å
32	S	95.6	Very high	75.9	Confident	33 Å²	33	88.5 Å²	88.5	23%	0.231	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.5	173.6	61.9	0	0	0	0	110.3	C30 E54 C55	C30-S32 WeakPolarHBondContact CB-O 3.26Å; S32-E54 WeakPolarHBondContact CB-OE1 3.43Å; S32-E54 PolarHBondContact OG-OE1 2.66Å; S32-C55 VanDerWaalsContact CA-O 3.3Å; S32-C55 WeakPolarHBondContact CA-O 3.49Å
33	A	96.5	Very high	79	Confident	14 Å²	14	85.2 Å²	85.2	12%	0.116	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.1	175.2	0	0	0	0	0	110.5	F35 E54 C55 N326 L328	A33-F35 HydrophobicContact CB-CE2 3.74Å; A33-F35 HydrophobicContact CB-CZ 3.94Å; A33-F35 WeakPolarHBondContact O-CD2 3.42Å; A33-F35 VanDerWaalsContact O-CE2 3.27Å; A33-F35 WeakPolarHBondContact O-CE2 3.4Å; A33-E54 WeakPolarHBondContact O-CA 3.28Å; A33-C55 PolarHBondContact N-O 2.95Å; A33-C55 PolarHBondContact O-N 3.4Å; A33-N326 HydrophobicContact CB-CB 3.77Å; A33-L328 HydrophobicContact CB-CD1 4.18Å; A33-L328 HydrophobicContact CB-CD2 3.84Å; A33-L328 HydrophobicContact CB-CG 3.97Å
34	K	96.7	Very high	82.1	Confident	148 Å²	148	86.6 Å²	86.6	64%	0.643	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.3	173.9	-70.5	-172.3	176.8	-172	0	110.4	T53	K34-T53 CarbonylContact C-O 3.55Å; K34-T53 WeakPolarHBondContact CA-O 3.16Å
35	F	97.2	Very high	85.1	Confident	7 Å²	7	80 Å²	80	3%	0.031	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.3	-177.7	-63	-92.4	0	0	0	109.4	A33 E52 T53 C55 L259 S322 I323 N326 L328	A33-F35 HydrophobicContact CB-CE2 3.74Å; A33-F35 HydrophobicContact CB-CZ 3.94Å; A33-F35 WeakPolarHBondContact O-CD2 3.42Å; A33-F35 VanDerWaalsContact O-CE2 3.27Å; A33-F35 WeakPolarHBondContact O-CE2 3.4Å; F35-E52 CarbonylContact O-C 3.58Å; F35-E52 VanDerWaalsContact O-CA 3.25Å; F35-E52 WeakPolarHBondContact O-CA 3.5Å; F35-T53 HydrophobicContact CB-CG2 4.47Å; F35-T53 PolarHBondContact N-O 3.04Å; F35-T53 PolarHBondContact O-N 3.17Å; F35-C55 HydrophobicContact CD2-CB 3.93Å; F35-C55 HydrophobicContact CE2-CB 3.63Å; F35-L259 HydrophobicContact CB-CD1 3.67Å; F35-L259 HydrophobicContact CD1-CD1 3.97Å; F35-L259 HydrophobicContact CD2-CD1 3.66Å; F35-L259 HydrophobicContact CE2-CD1 4.32Å; F35-L259 HydrophobicContact CG-CD1 3.46Å; F35-L259 VanDerWaalsContact CG-CD1 3.46Å; F35-S322 WeakPolarHBondContact CD1-OG 3.45Å; F35-S322 WeakPolarHBondContact CE1-OG 3.45Å; F35-I323 HydrophobicContact CE1-CG2 4.44Å; F35-I323 HydrophobicContact CZ-CG2 4.28Å; F35-N326 HydrophobicContact CE1-CB 4Å; F35-N326 WeakPolarHBondContact CE1-ND2 3.39Å; F35-N326 HydrophobicContact CZ-CB 3.95Å; F35-L328 HydrophobicContact CE2-CD1 3.91Å; F35-L328 HydrophobicContact CZ-CD1 3.62Å; F35-L328 HydrophobicContact CZ-CG 4.45Å
36	S	96.7	Very high	87.5	Confident	96 Å²	96	81.7 Å²	81.7	67%	0.671	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.5	165.3	-53.4	0	0	0	0	109.4
37	L	96.8	Very high	89.6	Confident	16 Å²	16	81.1 Å²	81.1	8%	0.084	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-98.3	161	-179.6	-59.4	-174.3	0	0	0	110.9	N51 T53 L259 E263	L37-N51 PolarHBondContact N-O 3.32Å; L37-T53 HydrophobicContact CD1-CG2 4.13Å; L37-T53 HydrophobicContact CD2-CG2 3.75Å; L37-T53 HydrophobicContact CG-CG2 4.22Å; L37-L259 HydrophobicContact CD2-CB 3.58Å; L37-E263 HydrophobicContact CD1-CB 3.78Å; L37-E263 HydrophobicContact CD1-CG 3.57Å
38	S	95	Very high	91.6	Very high	37 Å²	37	74 Å²	74	26%	0.259	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-69.3	146.2	173.2	-60.7	0	0	0	0	110.6	Y40 D254 T260	S38-Y40 PolarHBondContact O-N 3.13Å; S38-D254 PolarHBondContact OG-OD2 3.21Å; S38-T260 PolarHBondContact N-OG1 2.91Å
39	D	95.6	Very high	93.4	Very high	135 Å²	135	71.7 Å²	71.7	72%	0.722	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-62.5	136.2	178.5	-69.5	-32.6	0	0	0	111.7
40	Y	97.2	Very high	94.8	Very high	27 Å²	27	67.1 Å²	67.1	11%	0.106	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-88.8	152.5	171.9	-52.6	-80	0	0	0	111	S38 P49 L251 V253 T260 A264	S38-Y40 PolarHBondContact O-N 3.13Å; Y40-P49 HydrophobicContact CD1-CG 4.48Å; Y40-P49 HydrophobicContact CD2-CB 4.4Å; Y40-P49 HydrophobicContact CD2-CG 4.25Å; Y40-P49 HydrophobicContact CE1-CG 4.16Å; Y40-P49 HydrophobicContact CE2-CB 3.72Å; Y40-P49 HydrophobicContact CE2-CG 3.92Å; Y40-L251 HydrophobicContact CD1-CD1 4.39Å; Y40-L251 HydrophobicContact CD1-CD2 3.57Å; Y40-L251 HydrophobicContact CD1-CG 3.94Å; Y40-L251 HydrophobicContact CE1-CD2 4.09Å; Y40-L251 HydrophobicContact CG-CD1 4.13Å; Y40-L251 HydrophobicContact CG-CD2 4.03Å; Y40-L251 HydrophobicContact CG-CG 4.19Å; Y40-V253 HydrophobicContact CD1-CG2 4.38Å; Y40-V253 HydrophobicContact CE1-CG1 4.47Å; Y40-T260 HydrophobicContact CD1-CG2 4.36Å; Y40-T260 HydrophobicContact CE1-CG2 3.55Å; Y40-T260 PolarHBondContact OH-O 3.49Å; Y40-A264 HydrophobicContact CE1-CB 3.89Å
41	K	97.5	Very high	95.6	Very high	113 Å²	113	69.5 Å²	69.5	49%	0.491	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.4	163.4	-52.8	169.7	-175.2	163.7	0	108.1	Y242 L251 W252	K41-Y242 HydrophobicContact CB-CE2 4.21Å; K41-L251 CarbonylContact O-C 2.87Å; K41-L251 WeakPolarHBondContact O-CA 3.2Å; K41-W252 HydrophobicContact CB-CB 3.82Å; K41-W252 HydrophobicContact CD-CB 4.32Å; K41-W252 HydrophobicContact CD-CD2 4.43Å; K41-W252 HydrophobicContact CD-CG 4.29Å; K41-W252 HydrophobicContact CG-CB 4.29Å; K41-W252 PolarHBondContact N-O 3.07Å; K41-W252 PolarHBondContact O-N 3.11Å
42	S	97.5	Very high	95.9	Very high	56 Å²	56	69.5 Å²	69.5	39%	0.392	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	155.6	-178.2	61.8	0	0	0	0	112.6	G250	S42-G250 CarbonylContact C-O 3.14Å; S42-G250 WeakPolarHBondContact CA-O 3.4Å
43	F	98.5	Very high	96	Very high	49 Å²	49	68.7 Å²	68.7	22%	0.215	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	118.9	171.5	176.6	-109.2	0	0	0	108.7	L45 Y242 T243 D246 P249 G250	F43-L45 PolarHBondContact O-N 3.43Å; F43-Y242 HydrophobicContact CB-CD2 3.77Å; F43-Y242 HydrophobicContact CB-CE2 3.79Å; F43-T243 HydrophobicContact CB-CG2 4.01Å; F43-T243 HydrophobicContact CD1-CG2 4.47Å; F43-T243 HydrophobicContact CD2-CG2 3.84Å; F43-T243 HydrophobicContact CE2-CG2 4.42Å; F43-T243 HydrophobicContact CG-CG2 3.87Å; F43-D246 WeakPolarHBondContact CE1-O 3.3Å; F43-D246 WeakPolarHBondContact CZ-O 3.47Å; F43-P249 CarbonylContact O-C 3.49Å; F43-P249 VanDerWaalsContact O-CA 3.28Å; F43-P249 WeakPolarHBondContact O-CA 3.48Å; F43-G250 PolarHBondContact N-O 3.05Å; F43-G250 PolarHBondContact O-N 2.86Å
44	K	97.9	Very high	96	Very high	122 Å²	122	73.1 Å²	73.1	53%	0.53	39%	0.394	S	S	.	.	S	Bend	trans	53.9	35.9	-178.1	-55.8	-170	179.3	-176.6	0	114.2	D246 P249	K44-D246 WeakPolarHBondContact CD-O 3.4Å; K44-D246 WeakPolarHBondContact CE-O 3.17Å; K44-D246 PolarHBondContact NZ-O 3.42Å; K44-D246 IonicContact NZ-OD1 3.6Å; K44-P249 HydrophobicContact CB-CB 4.45Å; K44-P249 WeakPolarHBondContact O-CB 3.37Å
45	L	96.7	Very high	96.1	Very high	18 Å²	18	66.1 Å²	66.1	9%	0.094	36%	0.364	C	S	.	.			trans	-119.6	135	172	-68.9	167.9	0	0	0	109.6	F43 S47 P249 G250 L251 F267 W271 I279	F43-L45 PolarHBondContact O-N 3.43Å; L45-S47 VanDerWaalsContact C-N 3.3Å; L45-P249 HydrophobicContact CD2-CB 3.59Å; L45-P249 HydrophobicContact CD2-CG 4.27Å; L45-P249 HydrophobicContact CG-CB 3.82Å; L45-G250 WeakPolarHBondContact CD1-O 3.18Å; L45-L251 HydrophobicContact CD1-CB 4.46Å; L45-L251 HydrophobicContact CD1-CD1 4.15Å; L45-F267 HydrophobicContact CD1-CE1 4.18Å; L45-F267 HydrophobicContact CD2-CE1 4.29Å; L45-F267 HydrophobicContact CD2-CZ 4.37Å; L45-W271 HydrophobicContact CD2-CE3 3.94Å; L45-W271 HydrophobicContact CD2-CH2 3.83Å; L45-W271 HydrophobicContact CD2-CZ3 3.46Å; L45-W271 VanDerWaalsContact CD2-CZ3 3.46Å; L45-I279 HydrophobicContact CD1-CD1 4.39Å; L45-I279 HydrophobicContact CD2-CD1 4.25Å
46	D	91.9	Very high	96.1	Very high	178 Å²	178	67.6 Å²	67.6	95%	0.952	38%	0.375	S	S	*	.	S	Bend	trans	-76	-21.6	175.9	-57.8	-38.8	0	0	0	112.4
47	S	93.5	Very high	96.1	Very high	74 Å²	74	64.4 Å²	64.4	52%	0.517	35%	0.348	S	S	.	.			trans	-146	153.8	176.9	62.5	0	0	0	0	111.7	L45 F267	L45-S47 VanDerWaalsContact C-N 3.3Å; S47-F267 WeakPolarHBondContact O-CZ 3.38Å
48	T	94.5	Very high	96.2	Very high	60 Å²	60	69.1 Å²	69.1	37%	0.368	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-100.8	169	171.5	55.5	0	0	0	0	110	L251	T48-L251 HydrophobicContact CG2-CD1 3.92Å
49	P	94.9	Very high	96.3	Very high	9 Å²	9	69 Å²	69	6%	0.058	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-54.7	161.6	164.9	-17	27.2	0	0	0	111.3	Y40 L251 E263 F267	Y40-P49 HydrophobicContact CD1-CG 4.48Å; Y40-P49 HydrophobicContact CD2-CB 4.4Å; Y40-P49 HydrophobicContact CD2-CG 4.25Å; Y40-P49 HydrophobicContact CE1-CG 4.16Å; Y40-P49 HydrophobicContact CE2-CB 3.72Å; Y40-P49 HydrophobicContact CE2-CG 3.92Å; P49-L251 HydrophobicContact CG-CD2 3.61Å; P49-E263 HydrophobicContact CB-CB 4.49Å; P49-F267 HydrophobicContact CB-CB 4.08Å; P49-F267 HydrophobicContact CB-CD2 4.48Å; P49-F267 HydrophobicContact CB-CG 4.38Å; P49-F267 HydrophobicContact CG-CB 3.68Å; P49-F267 HydrophobicContact CG-CD1 4.18Å; P49-F267 HydrophobicContact CG-CD2 4.21Å; P49-F267 HydrophobicContact CG-CG 3.77Å
50	A	92.5	Very high	96.4	Very high	60 Å²	60	62.6 Å²	62.6	50%	0.496	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-56.3	145.3	174.2	0	0	0	0	0	110.8	E52	A50-E52 VanDerWaalsContact C-N 3.27Å; A50-E52 WeakPolarHBondContact CB-O 3.45Å
51	N	93.8	Very high	96.5	Very high	109 Å²	109	62.9 Å²	62.9	58%	0.583	34%	0.339	S	S	*	.	S	Bend	trans	-84	-3.9	175.8	63.9	-22.1	0	0	0	112.8	L37	L37-N51 PolarHBondContact N-O 3.32Å
52	E	97	Very high	96.5	Very high	98 Å²	98	63.2 Å²	63.2	46%	0.458	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.4	173.7	-65.4	-174.7	163.9	0	0	109.5	F35 A50	F35-E52 CarbonylContact O-C 3.58Å; F35-E52 VanDerWaalsContact O-CA 3.25Å; F35-E52 WeakPolarHBondContact O-CA 3.5Å; A50-E52 VanDerWaalsContact C-N 3.27Å; A50-E52 WeakPolarHBondContact CB-O 3.45Å
53	T	97.9	Very high	96.6	Very high	16 Å²	16	61.1 Å²	61.1	10%	0.098	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.4	171.2	-167.2	0	0	0	0	111.9	K34 F35 L37 L259 R262 E263	K34-T53 CarbonylContact C-O 3.55Å; K34-T53 WeakPolarHBondContact CA-O 3.16Å; F35-T53 HydrophobicContact CB-CG2 4.47Å; F35-T53 PolarHBondContact N-O 3.04Å; F35-T53 PolarHBondContact O-N 3.17Å; L37-T53 HydrophobicContact CD1-CG2 4.13Å; L37-T53 HydrophobicContact CD2-CG2 3.75Å; L37-T53 HydrophobicContact CG-CG2 4.22Å; T53-L259 HydrophobicContact CG2-CB 4.07Å; T53-L259 HydrophobicContact CG2-CD1 4.16Å; T53-R262 PolarHBondContact OG1-NH2 3.42Å; T53-E263 HydrophobicContact CG2-CG 4.1Å; T53-E263 PolarHBondContact OG1-OE1 2.84Å
54	E	97.2	Very high	96.6	Very high	108 Å²	108	58.8 Å²	58.8	51%	0.505	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143.5	167.8	-169.4	171.4	-177.1	0	0	110.8	S32 A33 R262	S32-E54 WeakPolarHBondContact CB-OE1 3.43Å; S32-E54 PolarHBondContact OG-OE1 2.66Å; A33-E54 WeakPolarHBondContact O-CA 3.28Å; E54-R262 PolarHBondContact O-NH2 2.91Å
55	C	97.6	Very high	96.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.3	169.5	-166.1	0	0	0	0	108.9	S32 A33 F35 L259	S32-C55 VanDerWaalsContact CA-O 3.3Å; S32-C55 WeakPolarHBondContact CA-O 3.49Å; A33-C55 PolarHBondContact N-O 2.95Å; A33-C55 PolarHBondContact O-N 3.4Å; F35-C55 HydrophobicContact CD2-CB 3.93Å; F35-C55 HydrophobicContact CE2-CB 3.63Å; C55-L259 HydrophobicContact CB-CD1 4.35Å; C55-L259 HydrophobicContact CB-CD2 4.23Å
56	S	97.8	Very high	96.7	Very high	38 Å²	38	55 Å²	55	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	157.3	174.1	73.7	0	0	0	0	110.3	S31 D58 D59 A60	S31-S56 WeakPolarHBondContact O-CA 3.49Å; S56-D58 VanDerWaalsContact C-N 3.29Å; S56-D58 PolarHBondContact O-N 3.26Å; S56-D59 PolarHBondContact O-N 3.38Å; S56-D59 VanDerWaalsContact OG-CB 3.26Å; S56-D59 WeakPolarHBondContact OG-CB 3.32Å; S56-D59 VanDerWaalsContact OG-CG 3.27Å; S56-D59 PolarHBondContact OG-N 3.37Å; S56-D59 VanDerWaalsContact OG-N 3.14Å; S56-D59 PolarHBondContact OG-OD1 2.91Å; S56-A60 WeakPolarHBondContact O-CB 3.07Å; S56-A60 PolarHBondContact O-N 2.9Å
57	R	97.3	Very high	97	Very high	29 Å²	29	46.6 Å²	46.6	11%	0.109	25%	0.251	C	S	.	.	H	α-helix	trans	-55.5	-45.1	173.3	174.1	167.5	169.2	37.1	-4.6	112.2	S31 A60 L61 L328 E333	S31-R57 PolarHBondContact O-N 3.44Å; R57-A60 PolarHBondContact O-N 3.44Å; R57-L61 VanDerWaalsContact NH1-CD2 3.31Å; R57-L61 WeakPolarHBondContact O-CG 3.45Å; R57-L61 PolarHBondContact O-N 2.85Å; R57-L328 HydrophobicContact CB-CD2 4.28Å; R57-L328 WeakPolarHBondContact CD-O 3.07Å; R57-L328 VanDerWaalsContact CG-O 3.29Å; R57-L328 WeakPolarHBondContact CG-O 3.34Å; R57-L328 VanDerWaalsContact CZ-O 3.24Å; R57-L328 PolarHBondContact NE-O 2.82Å; R57-L328 PolarHBondContact NH1-O 3.01Å; R57-E333 IonicContact CZ-OE1 3.98Å; R57-E333 IonicContact NH2-OE1 2.87Å; R57-E333 PolarHBondContact NH2-OE1 3.09Å; R57-E333 IonicContact NH2-OE2 3.71Å
58	D	97.6	Very high	97.3	Very high	114 Å²	114	44 Å²	44	61%	0.61	23%	0.231	S	C	*	.	H	α-helix	trans	-67	-41	-176.4	-67.8	-16.6	0	0	0	111.6	S56 R62	S56-D58 VanDerWaalsContact C-N 3.29Å; S56-D58 PolarHBondContact O-N 3.26Å; D58-R62 WeakPolarHBondContact O-CB 3.15Å; D58-R62 PolarHBondContact O-N 2.97Å
59	D	98.2	Very high	97.5	Very high	35 Å²	35	43.5 Å²	43.5	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-48.4	173.3	-82	25	0	0	0	110.9	S56 L61 R62 Y63	S56-D59 PolarHBondContact O-N 3.38Å; S56-D59 VanDerWaalsContact OG-CB 3.26Å; S56-D59 WeakPolarHBondContact OG-CB 3.32Å; S56-D59 VanDerWaalsContact OG-CG 3.27Å; S56-D59 PolarHBondContact OG-N 3.37Å; S56-D59 VanDerWaalsContact OG-N 3.14Å; S56-D59 PolarHBondContact OG-OD1 2.91Å; D59-L61 PolarHBondContact O-N 3.38Å; D59-R62 PolarHBondContact O-N 3.21Å; D59-R62 IonicContact OD1-CZ 3.71Å; D59-R62 IonicContact OD1-NH1 2.65Å; D59-R62 IonicContact OD1-NH2 2.88Å; D59-R62 PolarHBondContact OD1-NH2 2.89Å; D59-R62 IonicContact OD2-NH2 3.93Å; D59-Y63 HydrophobicContact CB-CD2 4.38Å; D59-Y63 HydrophobicContact CB-CE2 3.65Å; D59-Y63 WeakPolarHBondContact O-CB 3.42Å; D59-Y63 WeakPolarHBondContact O-CD2 3.46Å; D59-Y63 PolarHBondContact O-N 3.04Å; D59-Y63 PolarHBondContact OD2-OH 3.02Å
60	A	98.3	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-46.7	179.6	0	0	0	0	0	112.2	S56 R57 Y63 L64 F319 I323 L328	S56-A60 WeakPolarHBondContact O-CB 3.07Å; S56-A60 PolarHBondContact O-N 2.9Å; R57-A60 PolarHBondContact O-N 3.44Å; A60-Y63 PolarHBondContact O-N 3.47Å; A60-L64 WeakPolarHBondContact O-CB 3.37Å; A60-L64 PolarHBondContact O-N 3.4Å; A60-F319 HydrophobicContact CB-CZ 4.25Å; A60-F319 WeakPolarHBondContact O-CE1 3.22Å; A60-I323 HydrophobicContact CB-CB 4.4Å; A60-I323 HydrophobicContact CB-CD1 4.38Å; A60-I323 HydrophobicContact CB-CG2 3.91Å; A60-L328 HydrophobicContact CB-CD1 3.77Å
61	L	98	Very high	98	Very high	33 Å²	33	42.5 Å²	42.5	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-45	176.1	-70.2	-165.7	0	0	0	112.4	R57 D59 Y63 L64 E65 C329 I337	R57-L61 VanDerWaalsContact NH1-CD2 3.31Å; R57-L61 WeakPolarHBondContact O-CG 3.45Å; R57-L61 PolarHBondContact O-N 2.85Å; D59-L61 PolarHBondContact O-N 3.38Å; L61-Y63 VanDerWaalsContact C-N 3.32Å; L61-Y63 PolarHBondContact O-N 2.89Å; L61-L64 PolarHBondContact O-N 2.95Å; L61-E65 WeakPolarHBondContact O-CG 3.31Å; L61-E65 PolarHBondContact O-N 2.75Å; L61-C329 HydrophobicContact CD2-CB 3.86Å; L61-I337 HydrophobicContact CD2-CD1 3.76Å
62	R	98.3	Very high	98.2	Very high	120 Å²	120	40.4 Å²	40.4	45%	0.453	19%	0.189	S	C	.	.	H	α-helix	trans	-62.7	-40.2	-179.5	-177.2	171.7	59.7	-113.3	0.6	111.9	D58 D59 S66	D58-R62 WeakPolarHBondContact O-CB 3.15Å; D58-R62 PolarHBondContact O-N 2.97Å; D59-R62 PolarHBondContact O-N 3.21Å; D59-R62 IonicContact OD1-CZ 3.71Å; D59-R62 IonicContact OD1-NH1 2.65Å; D59-R62 IonicContact OD1-NH2 2.88Å; D59-R62 PolarHBondContact OD1-NH2 2.89Å; D59-R62 IonicContact OD2-NH2 3.93Å; R62-S66 WeakPolarHBondContact O-CB 3.37Å; R62-S66 PolarHBondContact O-N 3.45Å; R62-S66 VanDerWaalsContact O-N 3.08Å; R62-S66 PolarHBondContact O-OG 3.38Å
63	Y	98.7	Very high	98.3	Very high	12 Å²	12	35.7 Å²	35.7	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-46.4	173.9	-61.7	-25.6	0	0	0	111.2	D59 A60 L61 E65 S66 L67 V101 A105 I258 F319	D59-Y63 HydrophobicContact CB-CD2 4.38Å; D59-Y63 HydrophobicContact CB-CE2 3.65Å; D59-Y63 WeakPolarHBondContact O-CB 3.42Å; D59-Y63 WeakPolarHBondContact O-CD2 3.46Å; D59-Y63 PolarHBondContact O-N 3.04Å; D59-Y63 PolarHBondContact OD2-OH 3.02Å; A60-Y63 PolarHBondContact O-N 3.47Å; L61-Y63 VanDerWaalsContact C-N 3.32Å; L61-Y63 PolarHBondContact O-N 2.89Å; Y63-E65 VanDerWaalsContact C-N 3.35Å; Y63-E65 PolarHBondContact O-N 2.87Å; Y63-S66 WeakPolarHBondContact O-CB 3.19Å; Y63-S66 PolarHBondContact O-N 3.05Å; Y63-S66 VanDerWaalsContact O-N 3.12Å; Y63-L67 VanDerWaalsContact O-CG 3.3Å; Y63-L67 WeakPolarHBondContact O-CG 3.32Å; Y63-L67 PolarHBondContact O-N 3.1Å; Y63-V101 HydrophobicContact CD1-CG1 4.02Å; Y63-V101 HydrophobicContact CG-CG1 4.38Å; Y63-A105 HydrophobicContact CD1-CB 4.17Å; Y63-A105 HydrophobicContact CE1-CB 3.38Å; Y63-A105 HydrophobicContact CE2-CB 4.48Å; Y63-I258 HydrophobicContact CD2-CD1 4.23Å; Y63-I258 HydrophobicContact CG-CD1 3.86Å; Y63-F319 HydrophobicContact CD2-CZ 4.08Å
64	L	98.7	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-44.8	178.5	178.6	59.9	0	0	0	112.1	A60 L61 S66 L67 H68 I316 F319 Q320 I323 V334 I337	A60-L64 WeakPolarHBondContact O-CB 3.37Å; A60-L64 PolarHBondContact O-N 3.4Å; L61-L64 PolarHBondContact O-N 2.95Å; L64-S66 VanDerWaalsContact C-N 3.32Å; L64-S66 PolarHBondContact O-N 3.39Å; L64-L67 PolarHBondContact O-N 3.29Å; L64-H68 PolarHBondContact O-CD2 3.23Å; L64-H68 VanDerWaalsContact O-CD2 3.3Å; L64-H68 PolarHBondContact O-N 3.45Å; L64-I316 HydrophobicContact CD1-CG2 4.08Å; L64-F319 HydrophobicContact CB-CD1 4.38Å; L64-F319 HydrophobicContact CB-CE1 4.25Å; L64-Q320 HydrophobicContact CD1-CG 3.33Å; L64-Q320 HydrophobicContact CD2-CG 4.12Å; L64-Q320 HydrophobicContact CG-CG 4.39Å; L64-I323 HydrophobicContact CB-CD1 4.35Å; L64-I323 HydrophobicContact CD2-CD1 3.95Å; L64-V334 HydrophobicContact CD2-CG1 4.36Å; L64-V334 HydrophobicContact CD2-CG2 3.95Å; L64-I337 HydrophobicContact CD2-CD1 4.03Å; L64-I337 HydrophobicContact CG-CG2 4.41Å
65	E	98.6	Very high	98.4	Very high	38 Å²	38	32.1 Å²	32.1	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-43.8	174.4	-71.8	-175.7	-178.1	0	0	112	L61 Y63 H68 R69 I337 R340	L61-E65 WeakPolarHBondContact O-CG 3.31Å; L61-E65 PolarHBondContact O-N 2.75Å; Y63-E65 VanDerWaalsContact C-N 3.35Å; Y63-E65 PolarHBondContact O-N 2.87Å; E65-H68 PolarHBondContact O-N 2.99Å; E65-R69 WeakPolarHBondContact O-CB 3.47Å; E65-R69 WeakPolarHBondContact O-CG 3.26Å; E65-R69 PolarHBondContact O-N 3.26Å; E65-R69 IonicContact OE2-CZ 2.83Å; E65-R69 IonicContact OE2-NH1 3.87Å; E65-R69 PolarHBondContact OE2-NH1 3.28Å; E65-R69 IonicContact OE2-NH2 3.25Å; E65-R69 PolarHBondContact OE2-NH2 2.73Å; E65-I337 HydrophobicContact CG-CG1 4.37Å; E65-I337 HydrophobicContact CG-CG2 3.78Å; E65-R340 IonicContact OE1-CZ 3.68Å; E65-R340 IonicContact OE1-NH2 3.65Å; E65-R340 PolarHBondContact OE1-NH2 2.89Å
66	S	98.8	Very high	98.5	Very high	24 Å²	24	32.5 Å²	32.5	17%	0.168	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-43.6	-179.8	-58.7	0	0	0	0	111.6	R62 Y63 L64 H68 R69 I70	R62-S66 WeakPolarHBondContact O-CB 3.37Å; R62-S66 PolarHBondContact O-N 3.45Å; R62-S66 VanDerWaalsContact O-N 3.08Å; R62-S66 PolarHBondContact O-OG 3.38Å; Y63-S66 WeakPolarHBondContact O-CB 3.19Å; Y63-S66 PolarHBondContact O-N 3.05Å; Y63-S66 VanDerWaalsContact O-N 3.12Å; L64-S66 VanDerWaalsContact C-N 3.32Å; L64-S66 PolarHBondContact O-N 3.39Å; S66-H68 VanDerWaalsContact C-N 3.35Å; S66-H68 PolarHBondContact O-N 2.95Å; S66-R69 PolarHBondContact O-N 3.04Å; S66-I70 WeakPolarHBondContact O-CG1 3.48Å; S66-I70 PolarHBondContact O-N 3.27Å
67	L	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-47.9	174.4	-70.1	172.6	0	0	0	111.3	Y63 L64 I70 R71 E97 V101 I258 I316 F319	Y63-L67 VanDerWaalsContact O-CG 3.3Å; Y63-L67 WeakPolarHBondContact O-CG 3.32Å; Y63-L67 PolarHBondContact O-N 3.1Å; L64-L67 PolarHBondContact O-N 3.29Å; L67-I70 PolarHBondContact O-N 2.88Å; L67-R71 WeakPolarHBondContact O-CB 3.41Å; L67-R71 PolarHBondContact O-N 3.04Å; L67-E97 HydrophobicContact CD2-CB 3.47Å; L67-E97 VanDerWaalsContact CD2-CB 3.47Å; L67-V101 HydrophobicContact CD2-CB 4.13Å; L67-V101 HydrophobicContact CD2-CG2 3.83Å; L67-V101 HydrophobicContact CG-CG2 4.24Å; L67-I258 HydrophobicContact CD1-CD1 4.25Å; L67-I258 HydrophobicContact CD2-CD1 4.49Å; L67-I258 HydrophobicContact CG-CD1 4.45Å; L67-I316 HydrophobicContact CB-CD1 4.1Å; L67-I316 HydrophobicContact CB-CG1 4.01Å; L67-I316 WeakPolarHBondContact O-CD1 3.32Å; L67-F319 HydrophobicContact CD1-CB 4.2Å; L67-F319 HydrophobicContact CD1-CD1 3.75Å; L67-F319 HydrophobicContact CD1-CG 4.26Å
68	H	98.7	Very high	98.6	Very high	19 Å²	19	29.5 Å²	29.5	9%	0.088	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-40.9	177	-84.8	-64.6	0	0	0	113	L64 E65 S66 R71 R72 I316 Q320 V341	L64-H68 PolarHBondContact O-CD2 3.23Å; L64-H68 VanDerWaalsContact O-CD2 3.3Å; L64-H68 PolarHBondContact O-N 3.45Å; E65-H68 PolarHBondContact O-N 2.99Å; S66-H68 VanDerWaalsContact C-N 3.35Å; S66-H68 PolarHBondContact O-N 2.95Å; H68-R71 PolarHBondContact O-N 3.24Å; H68-R72 VanDerWaalsContact O-CB 3.28Å; H68-R72 WeakPolarHBondContact O-CB 3.37Å; H68-R72 PolarHBondContact O-N 2.91Å; H68-I316 WeakPolarHBondContact NE2-CG2 3.26Å; H68-Q320 PolarHBondContact NE2-NE2 3.17Å; H68-V341 HydrophobicContact CB-CB 4.28Å; H68-V341 HydrophobicContact CB-CG1 3.94Å; H68-V341 HydrophobicContact CB-CG2 4.24Å
69	R	98.8	Very high	98.6	Very high	50 Å²	50	27.1 Å²	27.1	19%	0.189	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-46.2	177.9	-79.4	178.1	178	112.3	10.2	110.8	E65 S66 R72 M73 M124 I130 V341 E344	E65-R69 WeakPolarHBondContact O-CB 3.47Å; E65-R69 WeakPolarHBondContact O-CG 3.26Å; E65-R69 PolarHBondContact O-N 3.26Å; E65-R69 IonicContact OE2-CZ 2.83Å; E65-R69 IonicContact OE2-NH1 3.87Å; E65-R69 PolarHBondContact OE2-NH1 3.28Å; E65-R69 IonicContact OE2-NH2 3.25Å; E65-R69 PolarHBondContact OE2-NH2 2.73Å; S66-R69 PolarHBondContact O-N 3.04Å; R69-R72 PolarHBondContact O-N 3.46Å; R69-M73 WeakPolarHBondContact O-CB 3.42Å; R69-M73 PolarHBondContact O-N 3.43Å; R69-M124 HydrophobicContact CB-CE 4.18Å; R69-M124 HydrophobicContact CB-SD 3.57Å; R69-M124 VanDerWaalsContact CB-SD 3.57Å; R69-I130 HydrophobicContact CB-CD1 4.09Å; R69-I130 HydrophobicContact CG-CD1 4.22Å; R69-V341 HydrophobicContact CB-CG1 4.29Å; R69-V341 HydrophobicContact CG-CG1 3.69Å; R69-V341 HydrophobicContact CG-CG2 4.08Å; R69-E344 IonicContact CZ-OE1 2.66Å; R69-E344 IonicContact CZ-OE2 3.64Å; R69-E344 IonicContact NE-OE1 2.79Å; R69-E344 PolarHBondContact NE-OE1 3.21Å; R69-E344 IonicContact NE-OE2 3.03Å; R69-E344 PolarHBondContact NE-OE2 2.89Å; R69-E344 IonicContact NH2-OE1 3.28Å; R69-E344 IonicContact NH2-OE2 3.24Å; R69-E344 PolarHBondContact NH2-OE2 3.09Å
70	I	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.7	-53.7	174.8	-62.3	172.7	0	0	0	109.9	S66 L67 R72 M73 E74 Y93 E97 A100 V101 M124 T125	S66-I70 WeakPolarHBondContact O-CG1 3.48Å; S66-I70 PolarHBondContact O-N 3.27Å; L67-I70 PolarHBondContact O-N 2.88Å; I70-R72 VanDerWaalsContact C-N 3.3Å; I70-R72 PolarHBondContact O-N 3.46Å; I70-M73 PolarHBondContact O-N 3.36Å; I70-E74 HydrophobicContact CG2-CG 4.07Å; I70-E74 WeakPolarHBondContact O-CB 3.09Å; I70-E74 WeakPolarHBondContact O-CG 3.42Å; I70-E74 PolarHBondContact O-N 2.92Å; I70-Y93 HydrophobicContact CG2-CD1 4.41Å; I70-E97 HydrophobicContact CB-CG 3.87Å; I70-E97 HydrophobicContact CD1-CB 4.5Å; I70-E97 HydrophobicContact CG2-CG 3.62Å; I70-A100 HydrophobicContact CD1-CB 4.23Å; I70-V101 HydrophobicContact CD1-CG2 3.7Å; I70-M124 HydrophobicContact CD1-CE 3.96Å; I70-M124 HydrophobicContact CG1-CE 3.37Å; I70-M124 HydrophobicContact CG1-SD 3.7Å; I70-T125 HydrophobicContact CD1-CG2 4.15Å
71	R	98.8	Very high	98.6	Very high	48 Å²	48	27.8 Å²	27.8	18%	0.181	13%	0.127	C	C	.	.	H	α-helix	trans	-56.1	-44.5	-178.2	178.3	62.8	58.4	78.2	2.6	112.4	L67 H68 T75 E97 D314 I316	L67-R71 WeakPolarHBondContact O-CB 3.41Å; L67-R71 PolarHBondContact O-N 3.04Å; H68-R71 PolarHBondContact O-N 3.24Å; R71-T75 WeakPolarHBondContact O-CB 3.26Å; R71-T75 PolarHBondContact O-N 3.47Å; R71-T75 PolarHBondContact O-OG1 3.49Å; R71-E97 IonicContact CZ-OE1 2.94Å; R71-E97 VanDerWaalsContact CZ-OE1 3.24Å; R71-E97 IonicContact CZ-OE2 2.98Å; R71-E97 IonicContact NE-OE1 3.95Å; R71-E97 PolarHBondContact NE-OE1 2.91Å; R71-E97 IonicContact NE-OE2 2.94Å; R71-E97 IonicContact NH2-OE1 3.17Å; R71-E97 PolarHBondContact NH2-OE1 2.9Å; R71-E97 IonicContact NH2-OE2 3.79Å; R71-E97 PolarHBondContact NH2-OE2 3.03Å; R71-D314 IonicContact CZ-OD2 3.21Å; R71-D314 VanDerWaalsContact CZ-OD2 3.28Å; R71-D314 IonicContact NH1-OD1 3.99Å; R71-D314 IonicContact NH1-OD2 2.72Å; R71-D314 PolarHBondContact NH1-OD2 3.17Å; R71-D314 IonicContact NH2-OD1 3.23Å; R71-D314 IonicContact NH2-OD2 2.81Å; R71-D314 PolarHBondContact NH2-OD2 3.4Å; R71-I316 HydrophobicContact CB-CD1 3.62Å; R71-I316 HydrophobicContact CG-CD1 4.02Å
72	R	98.6	Very high	98.6	Very high	65 Å²	65	32.9 Å²	32.9	25%	0.245	15%	0.148	C	C	.	.	H	α-helix	trans	-71.7	-42.9	-177.9	-176.3	65.2	-165.1	156.6	1.3	111.5	H68 R69 I70 T75 A76 V341 V345 D346	H68-R72 VanDerWaalsContact O-CB 3.28Å; H68-R72 WeakPolarHBondContact O-CB 3.37Å; H68-R72 PolarHBondContact O-N 2.91Å; R69-R72 PolarHBondContact O-N 3.46Å; I70-R72 VanDerWaalsContact C-N 3.3Å; I70-R72 PolarHBondContact O-N 3.46Å; R72-T75 WeakPolarHBondContact O-CB 3.23Å; R72-T75 PolarHBondContact O-N 3.17Å; R72-A76 PolarHBondContact O-N 2.98Å; R72-V341 HydrophobicContact CB-CG1 4.35Å; R72-V345 HydrophobicContact CB-CB 4.37Å; R72-V345 HydrophobicContact CB-CG1 4.42Å; R72-V345 HydrophobicContact CB-CG2 4.11Å; R72-V345 HydrophobicContact CG-CB 3.63Å; R72-V345 HydrophobicContact CG-CG1 3.74Å; R72-V345 HydrophobicContact CG-CG2 3.91Å; R72-D346 IonicContact CZ-OD1 3.36Å; R72-D346 IonicContact NE-OD1 3.18Å; R72-D346 PolarHBondContact NE-OD1 3Å; R72-D346 IonicContact NH2-OD1 2.7Å; R72-D346 PolarHBondContact NH2-OD1 3.26Å; R72-D346 IonicContact NH2-OD2 3.49Å; R72-D346 PolarHBondContact NH2-OD2 3.42Å
73	M	98.8	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.8	-51.9	173.6	178.3	-178.3	64.8	0	0	110.4	R69 I70 T75 A76 L77 H120 M124 I130 I133	R69-M73 WeakPolarHBondContact O-CB 3.42Å; R69-M73 PolarHBondContact O-N 3.43Å; I70-M73 PolarHBondContact O-N 3.36Å; M73-T75 VanDerWaalsContact C-N 3.27Å; M73-T75 PolarHBondContact O-N 2.86Å; M73-A76 WeakPolarHBondContact O-CB 3.45Å; M73-A76 PolarHBondContact O-N 2.95Å; M73-L77 HydrophobicContact CG-CD1 3.94Å; M73-L77 HydrophobicContact CG-CG 4.31Å; M73-L77 VanDerWaalsContact O-CG 3.28Å; M73-L77 WeakPolarHBondContact O-CG 3.47Å; M73-L77 PolarHBondContact O-N 2.93Å; M73-H120 HydrophobicContact CE-CB 3.71Å; M73-M124 HydrophobicContact CE-CB 4.21Å; M73-I130 HydrophobicContact CB-CG2 4.46Å; M73-I130 HydrophobicContact CG-CG2 4.16Å; M73-I130 HydrophobicContact SD-CG1 4.28Å; M73-I130 HydrophobicContact SD-CG2 4.22Å; M73-I133 HydrophobicContact CE-CD1 4.45Å; M73-I133 HydrophobicContact SD-CB 4.18Å; M73-I133 HydrophobicContact SD-CD1 3.89Å; M73-I133 HydrophobicContact SD-CG2 3.87Å
74	E	98.8	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-35.1	179.7	-63.9	-71	-165.7	0	0	112.5	I70 G78 L92 Y93 S94 H120	I70-E74 HydrophobicContact CG2-CG 4.07Å; I70-E74 WeakPolarHBondContact O-CB 3.09Å; I70-E74 WeakPolarHBondContact O-CG 3.42Å; I70-E74 PolarHBondContact O-N 2.92Å; E74-G78 PolarHBondContact O-N 3.44Å; E74-L92 HydrophobicContact CB-CB 4.49Å; E74-L92 VanDerWaalsContact OE2-CA 3.3Å; E74-L92 WeakPolarHBondContact OE2-CA 3.25Å; E74-L92 WeakPolarHBondContact OE2-CD2 3.48Å; E74-Y93 WeakPolarHBondContact OE1-CB 3.45Å; E74-Y93 PolarHBondContact OE1-N 2.89Å; E74-Y93 PolarHBondContact OE2-N 3.22Å; E74-S94 WeakPolarHBondContact CB-OG 3.2Å; E74-H120 WeakPolarHBondContact OE1-CB 3.26Å; E74-H120 IonicContact OE1-CG 3.66Å; E74-H120 IonicContact OE1-ND1 3.79Å; E74-H120 PolarHBondContact OE1-ND1 3.25Å; E74-H120 IonicContact OE2-CE1 2.86Å; E74-H120 IonicContact OE2-CG 2.63Å; E74-H120 IonicContact OE2-ND1 3.53Å; E74-H120 PolarHBondContact OE2-ND1 2.96Å
75	T	98.7	Very high	98.4	Very high	49 Å²	49	43.1 Å²	43.1	30%	0.301	20%	0.201	S	C	.	.	H	α-helix	trans	-64.3	-44.4	173.4	-58.9	0	0	0	0	111.4	R71 R72 M73 G78 N79	R71-T75 WeakPolarHBondContact O-CB 3.26Å; R71-T75 PolarHBondContact O-N 3.47Å; R71-T75 PolarHBondContact O-OG1 3.49Å; R72-T75 WeakPolarHBondContact O-CB 3.23Å; R72-T75 PolarHBondContact O-N 3.17Å; M73-T75 VanDerWaalsContact C-N 3.27Å; M73-T75 PolarHBondContact O-N 2.86Å; T75-G78 PolarHBondContact O-N 3.4Å; T75-N79 PolarHBondContact O-N 3.35Å; T75-N79 VanDerWaalsContact O-N 3.11Å
76	A	98.6	Very high	98.4	Very high	8 Å²	8	41.5 Å²	41.5	7%	0.066	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-47	177	0	0	0	0	0	111.4	R72 M73 G78 N79 M80 V349	R72-A76 PolarHBondContact O-N 2.98Å; M73-A76 WeakPolarHBondContact O-CB 3.45Å; M73-A76 PolarHBondContact O-N 2.95Å; A76-G78 VanDerWaalsContact C-N 3.3Å; A76-G78 PolarHBondContact O-N 3.38Å; A76-N79 PolarHBondContact O-N 3.44Å; A76-M80 VanDerWaalsContact O-CG 3.29Å; A76-M80 WeakPolarHBondContact O-CG 3.4Å; A76-M80 PolarHBondContact O-N 3.38Å; A76-V349 HydrophobicContact CB-CG2 3.86Å
77	L	98.7	Very high	98.2	Very high	0 Å²	0	50 Å²	50	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-41.6	176.1	-64.8	174	0	0	0	111.9	M73 N79 M80 Y81 I86 L92 V134 L137	M73-L77 HydrophobicContact CG-CD1 3.94Å; M73-L77 HydrophobicContact CG-CG 4.31Å; M73-L77 VanDerWaalsContact O-CG 3.28Å; M73-L77 WeakPolarHBondContact O-CG 3.47Å; M73-L77 PolarHBondContact O-N 2.93Å; L77-N79 VanDerWaalsContact C-N 3.32Å; L77-N79 PolarHBondContact O-N 2.9Å; L77-M80 HydrophobicContact CD2-SD 4.48Å; L77-M80 PolarHBondContact O-N 3.49Å; L77-Y81 WeakPolarHBondContact O-CB 2.96Å; L77-Y81 PolarHBondContact O-N 3.31Å; L77-I86 HydrophobicContact CB-CD1 4.18Å; L77-I86 HydrophobicContact CD2-CD1 3.66Å; L77-L92 HydrophobicContact CB-CD2 3.97Å; L77-V134 HydrophobicContact CD2-CG2 4.05Å; L77-L137 HydrophobicContact CB-CD2 4.44Å; L77-L137 HydrophobicContact CD1-CD2 3.66Å; L77-L137 HydrophobicContact CD2-CB 4.15Å; L77-L137 HydrophobicContact CD2-CD2 3.58Å; L77-L137 HydrophobicContact CD2-CG 4.42Å; L77-L137 HydrophobicContact CG-CD2 4.07Å
78	G	98.3	Very high	98.1	Very high	4 Å²	4	52.7 Å²	52.7	4%	0.041	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-36.6	174.9	0	0	0	0	0	113.6	E74 T75 A76 K82 M293	E74-G78 PolarHBondContact O-N 3.44Å; T75-G78 PolarHBondContact O-N 3.4Å; A76-G78 VanDerWaalsContact C-N 3.3Å; A76-G78 PolarHBondContact O-N 3.38Å; G78-K82 WeakPolarHBondContact O-CG 3.34Å; G78-K82 PolarHBondContact O-N 2.93Å; G78-M293 WeakPolarHBondContact O-CE 3.28Å
79	N	98.2	Very high	98.1	Very high	65 Å²	65	57.4 Å²	57.4	35%	0.348	27%	0.27	S	S	.	.	H	α-helix	trans	-72.5	-47.4	175.5	-68.2	-18.8	0	0	0	111.5	T75 A76 L77 Y81 K82 E83	T75-N79 PolarHBondContact O-N 3.35Å; T75-N79 VanDerWaalsContact O-N 3.11Å; A76-N79 PolarHBondContact O-N 3.44Å; L77-N79 VanDerWaalsContact C-N 3.32Å; L77-N79 PolarHBondContact O-N 2.9Å; N79-Y81 PolarHBondContact O-N 3.03Å; N79-K82 WeakPolarHBondContact O-CA 3.4Å; N79-K82 WeakPolarHBondContact O-CB 3.5Å; N79-K82 PolarHBondContact O-N 3.38Å; N79-E83 WeakPolarHBondContact O-CG 3.29Å; N79-E83 PolarHBondContact O-N 2.92Å
80	M	98.2	Very high	98.1	Very high	7 Å²	7	55 Å²	55	3%	0.034	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-36.3	177.5	-70.1	173.3	66.9	0	0	112.5	A76 L77 E83 K84 L85 I86 V134 A138 V349 M353	A76-M80 VanDerWaalsContact O-CG 3.29Å; A76-M80 WeakPolarHBondContact O-CG 3.4Å; A76-M80 PolarHBondContact O-N 3.38Å; L77-M80 HydrophobicContact CD2-SD 4.48Å; L77-M80 PolarHBondContact O-N 3.49Å; M80-E83 CarbonylContact O-C 3.52Å; M80-E83 PolarHBondContact O-N 3.06Å; M80-K84 PolarHBondContact O-N 3.45Å; M80-L85 HydrophobicContact CB-CB 4.2Å; M80-L85 HydrophobicContact CB-CD1 4.42Å; M80-L85 HydrophobicContact CE-CB 4.45Å; M80-L85 HydrophobicContact CG-CD1 4.29Å; M80-L85 WeakPolarHBondContact O-CB 3.4Å; M80-L85 PolarHBondContact O-N 3.18Å; M80-I86 HydrophobicContact CB-CD1 3.64Å; M80-I86 HydrophobicContact CB-CG1 3.95Å; M80-I86 HydrophobicContact CE-CD1 4.18Å; M80-I86 HydrophobicContact CE-CG1 4.19Å; M80-I86 PolarHBondContact O-N 2.8Å; M80-I86 HydrophobicContact SD-CD1 4.33Å; M80-V134 HydrophobicContact CE-CG1 3.69Å; M80-V134 HydrophobicContact SD-CG1 3.77Å; M80-A138 HydrophobicContact CE-CB 4.11Å; M80-V349 HydrophobicContact SD-CG1 3.79Å; M80-M353 HydrophobicContact CE-CG 4.07Å; M80-M353 HydrophobicContact CE-SD 3.37Å; M80-M353 WeakPolarHBondContact CE-SD 3.48Å
81	Y	98.4	Very high	98.1	Very high	41 Å²	41	55.2 Å²	55.2	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-41.3	174.2	-169.6	-78.1	0	0	0	112.4	L77 N79 E83 K84 I86 G88 C90 M293	L77-Y81 WeakPolarHBondContact O-CB 2.96Å; L77-Y81 PolarHBondContact O-N 3.31Å; N79-Y81 PolarHBondContact O-N 3.03Å; Y81-E83 VanDerWaalsContact C-N 3.26Å; Y81-E83 PolarHBondContact O-N 3.43Å; Y81-K84 PolarHBondContact O-N 2.9Å; Y81-K84 VanDerWaalsContact O-N 3.09Å; Y81-I86 HydrophobicContact CD2-CB 4.1Å; Y81-I86 HydrophobicContact CD2-CG2 3.8Å; Y81-G88 WeakPolarHBondContact CE2-O 3.5Å; Y81-G88 PolarHBondContact OH-O 2.79Å; Y81-C90 HydrophobicContact CD2-CB 3.52Å; Y81-C90 HydrophobicContact CE2-CB 3.83Å; Y81-C90 HydrophobicContact CG-CB 4.46Å; Y81-M293 HydrophobicContact CD1-CB 3.39Å; Y81-M293 HydrophobicContact CD1-CE 4.11Å; Y81-M293 HydrophobicContact CD1-CG 3.91Å; Y81-M293 HydrophobicContact CD2-CB 3.85Å; Y81-M293 HydrophobicContact CD2-CG 3.93Å; Y81-M293 HydrophobicContact CE1-CB 3.4Å; Y81-M293 HydrophobicContact CE1-CG 4.37Å; Y81-M293 HydrophobicContact CE2-CB 3.86Å; Y81-M293 HydrophobicContact CE2-CG 4.39Å; Y81-M293 HydrophobicContact CG-CB 3.63Å; Y81-M293 HydrophobicContact CG-CE 4.34Å; Y81-M293 HydrophobicContact CG-CG 3.68Å
82	K	97.3	Very high	98.1	Very high	141 Å²	141	53.1 Å²	53.1	61%	0.613	25%	0.254	S	S	*	.	H	α-helix	trans	-63.9	-36.2	176	-67.4	168.5	-173.4	168.9	0	111.2	G78 N79 K84 M293	G78-K82 WeakPolarHBondContact O-CG 3.34Å; G78-K82 PolarHBondContact O-N 2.93Å; N79-K82 WeakPolarHBondContact O-CA 3.4Å; N79-K82 WeakPolarHBondContact O-CB 3.5Å; N79-K82 PolarHBondContact O-N 3.38Å; K82-K84 PolarHBondContact O-N 2.82Å; K82-M293 HydrophobicContact CG-CE 4.3Å
83	E	97.5	Very high	98.1	Very high	124 Å²	124	50 Å²	50	58%	0.579	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	2.1	175.1	-66.8	167.9	-164.8	0	0	113.8	N79 M80 Y81 L85	N79-E83 WeakPolarHBondContact O-CG 3.29Å; N79-E83 PolarHBondContact O-N 2.92Å; M80-E83 CarbonylContact O-C 3.52Å; M80-E83 PolarHBondContact O-N 3.06Å; Y81-E83 VanDerWaalsContact C-N 3.26Å; Y81-E83 PolarHBondContact O-N 3.43Å; E83-L85 HydrophobicContact CB-CD1 4.07Å; E83-L85 HydrophobicContact CB-CG 3.99Å; E83-L85 PolarHBondContact O-N 2.83Å; E83-L85 WeakPolarHBondContact OE2-CD1 3.39Å
84	K	97.5	Very high	98.1	Very high	155 Å²	155	50.1 Å²	50.1	67%	0.674	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	15	-179.7	-49	-58.9	-178.4	-176.7	0	115	M80 Y81 K82 I86	M80-K84 PolarHBondContact O-N 3.45Å; Y81-K84 PolarHBondContact O-N 2.9Å; Y81-K84 VanDerWaalsContact O-N 3.09Å; K82-K84 PolarHBondContact O-N 2.82Å; K84-I86 VanDerWaalsContact C-N 3.35Å
85	L	97.1	Very high	98.1	Very high	68 Å²	68	50.1 Å²	50.1	36%	0.356	24%	0.243	S	C	.	.	S	Bend	trans	-75.8	-28	174	-55.8	174	0	0	0	111.6	M80 E83 M353	M80-L85 HydrophobicContact CB-CB 4.2Å; M80-L85 HydrophobicContact CB-CD1 4.42Å; M80-L85 HydrophobicContact CE-CB 4.45Å; M80-L85 HydrophobicContact CG-CD1 4.29Å; M80-L85 WeakPolarHBondContact O-CB 3.4Å; M80-L85 PolarHBondContact O-N 3.18Å; E83-L85 HydrophobicContact CB-CD1 4.07Å; E83-L85 HydrophobicContact CB-CG 3.99Å; E83-L85 PolarHBondContact O-N 2.83Å; E83-L85 WeakPolarHBondContact OE2-CD1 3.39Å; L85-M353 HydrophobicContact CB-CE 4.07Å; L85-M353 HydrophobicContact CD1-CE 3.71Å; L85-M353 HydrophobicContact CD1-SD 4.44Å; L85-M353 HydrophobicContact CD2-CE 3.74Å; L85-M353 HydrophobicContact CG-CE 4.03Å
86	I	98.2	Very high	98.1	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-109.3	137	169.9	-60.3	169.8	0	0	0	108	L77 M80 Y81 K84 C90 L137	L77-I86 HydrophobicContact CB-CD1 4.18Å; L77-I86 HydrophobicContact CD2-CD1 3.66Å; M80-I86 HydrophobicContact CB-CD1 3.64Å; M80-I86 HydrophobicContact CB-CG1 3.95Å; M80-I86 HydrophobicContact CE-CD1 4.18Å; M80-I86 HydrophobicContact CE-CG1 4.19Å; M80-I86 PolarHBondContact O-N 2.8Å; M80-I86 HydrophobicContact SD-CD1 4.33Å; Y81-I86 HydrophobicContact CD2-CB 4.1Å; Y81-I86 HydrophobicContact CD2-CG2 3.8Å; K84-I86 VanDerWaalsContact C-N 3.35Å; I86-C90 HydrophobicContact CG2-CB 4.31Å; I86-L137 HydrophobicContact CD1-CB 3.91Å; I86-L137 HydrophobicContact CD1-CD2 4.25Å; I86-L137 HydrophobicContact CG1-CB 4.13Å; I86-L137 HydrophobicContact CG2-CB 4.33Å
87	R	95.6	Very high	98.1	Very high	203 Å²	203	47.5 Å²	47.5	77%	0.766	23%	0.226	S	C	*	.			trans	-123.6	169.9	-178.3	-62.5	-172.8	-73.6	142.1	-5.7	111.2
88	G	97.1	Very high	98.1	Very high	56 Å²	56	47.5 Å²	47.5	58%	0.577	23%	0.226	S	C	*	.	S	Bend	trans	69.4	-133.5	177.1	0	0	0	0	0	112.3	Y81	Y81-G88 WeakPolarHBondContact CE2-O 3.5Å; Y81-G88 PolarHBondContact OH-O 2.79Å
89	F	98.1	Very high	98.1	Very high	118 Å²	118	47.3 Å²	47.3	52%	0.518	22%	0.224	S	C	.	.			trans	-86.3	142.3	178.9	-69.6	-72.1	0	0	0	111.8	H91 S151 M152	F89-H91 AromaticContact CD1-CE1 3.95Å; F89-S151 WeakPolarHBondContact O-CB 3.32Å; F89-M152 HydrophobicContact CB-CE 4.4Å; F89-M152 HydrophobicContact CB-CG 4.05Å; F89-M152 HydrophobicContact CB-SD 3.88Å; F89-M152 HydrophobicContact CD2-CE 3.6Å; F89-M152 HydrophobicContact CD2-SD 3.87Å; F89-M152 HydrophobicContact CE2-CE 4.26Å; F89-M152 HydrophobicContact CG-CE 4.28Å; F89-M152 HydrophobicContact CG-SD 3.95Å
90	C	98.6	Very high	98.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.207	C	C	.	.			trans	-148.6	114.8	170.1	-177.6	0	0	0	0	108.8	Y81 I86 S292 M293	Y81-C90 HydrophobicContact CD2-CB 3.52Å; Y81-C90 HydrophobicContact CE2-CB 3.83Å; Y81-C90 HydrophobicContact CG-CB 4.46Å; I86-C90 HydrophobicContact CG2-CB 4.31Å; C90-S292 CarbonylContact O-C 3.58Å; C90-S292 WeakPolarHBondContact O-CA 3.49Å; C90-M293 HydrophobicContact CB-CB 4.34Å; C90-M293 HydrophobicContact CB-CG 3.74Å; C90-M293 PolarHBondContact O-N 3.47Å
91	H	98.8	Very high	98.2	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.019	21%	0.207	C	C	.	.			trans	-115.3	98.1	-174.4	-53.7	95.5	0	0	0	110	F89 Y117 R118 H120 H291	F89-H91 AromaticContact CD1-CE1 3.95Å; H91-Y117 HydrophobicContact CB-CD2 4.03Å; H91-Y117 AromaticContact CD2-CD2 3.52Å; H91-Y117 AromaticContact CD2-CE2 3.59Å; H91-Y117 AromaticContact CE1-CD2 3.47Å; H91-Y117 VanDerWaalsContact CE1-CD2 3.47Å; H91-Y117 WeakPolarHBondContact CE1-CD2 3.36Å; H91-Y117 AromaticContact CE1-CG 3.83Å; H91-Y117 AromaticContact CG-CD2 3.42Å; H91-Y117 VanDerWaalsContact CG-CD2 3.42Å; H91-Y117 AromaticContact CG-CE2 3.95Å; H91-Y117 AromaticContact ND1-CD2 3.4Å; H91-Y117 WeakPolarHBondContact ND1-CD2 3.31Å; H91-Y117 AromaticContact ND1-CG 3.93Å; H91-Y117 AromaticContact NE2-CD2 3.6Å; H91-Y117 AromaticContact NE2-CE2 3.74Å; H91-R118 HydrophobicContact CB-CB 4.14Å; H91-R118 HydrophobicContact CB-CG 3.97Å; H91-R118 WeakPolarHBondContact O-CG 3.5Å; H91-H120 PolarHBondContact O-CE1 3.31Å; H91-H291 PolarHBondContact CD2-O 3.38Å
92	L	98.7	Very high	98.2	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	20%	0.2	C	C	.	.			trans	-74.9	133.6	-173.9	-54.5	-179	0	0	0	112.3	E74 L77 S94 R118 H289 M293	E74-L92 HydrophobicContact CB-CB 4.49Å; E74-L92 VanDerWaalsContact OE2-CA 3.3Å; E74-L92 WeakPolarHBondContact OE2-CA 3.25Å; E74-L92 WeakPolarHBondContact OE2-CD2 3.48Å; L77-L92 HydrophobicContact CB-CD2 3.97Å; L92-S94 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 3.07Å; L92-R118 PolarHBondContact O-NH1 3.07Å; L92-H289 HydrophobicContact CB-CB 4.42Å; L92-H289 HydrophobicContact CD1-CB 4.45Å; L92-M293 HydrophobicContact CD1-SD 3.52Å; L92-M293 VanDerWaalsContact CD1-SD 3.52Å; L92-M293 HydrophobicContact CG-SD 3.97Å
93	Y	98.7	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.			trans	-85.4	4.5	-178.7	-156.8	-108.3	0	0	0	114.2	I70 E74 G95 Q96 V99 A100 R118 F122 E222	I70-Y93 HydrophobicContact CG2-CD1 4.41Å; E74-Y93 WeakPolarHBondContact OE1-CB 3.45Å; E74-Y93 PolarHBondContact OE1-N 2.89Å; E74-Y93 PolarHBondContact OE2-N 3.22Å; Y93-G95 PolarHBondContact O-N 2.95Å; Y93-Q96 HydrophobicContact CD1-CB 3.9Å; Y93-Q96 HydrophobicContact CD2-CB 4.25Å; Y93-Q96 HydrophobicContact CE1-CB 3.62Å; Y93-Q96 WeakPolarHBondContact CE1-O 3.46Å; Y93-Q96 HydrophobicContact CE2-CB 3.99Å; Y93-Q96 VanDerWaalsContact CE2-NE2 3.25Å; Y93-Q96 HydrophobicContact CG-CB 4.21Å; Y93-Q96 WeakPolarHBondContact O-CB 3.44Å; Y93-Q96 PolarHBondContact O-N 3.07Å; Y93-V99 WeakPolarHBondContact OH-CB 3.38Å; Y93-A100 HydrophobicContact CD1-CB 4.46Å; Y93-A100 HydrophobicContact CE1-CB 3.59Å; Y93-R118 HydrophobicContact CD2-CB 4.37Å; Y93-R118 HydrophobicContact CD2-CG 3.72Å; Y93-R118 WeakPolarHBondContact CD2-O 3.48Å; Y93-F122 HydrophobicContact CE2-CD2 4.38Å; Y93-F122 AromaticContact CE2-CE2 3.96Å; Y93-F122 HydrophobicContact CE2-CE2 3.96Å; Y93-F122 AromaticContact CZ-CE2 3.66Å; Y93-F122 WeakPolarHBondContact OH-CE2 3.43Å; Y93-F122 WeakPolarHBondContact OH-CZ 3.4Å; Y93-E222 WeakPolarHBondContact CE2-OE1 3.45Å; Y93-E222 VanDerWaalsContact CZ-OE1 3.27Å; Y93-E222 PolarHBondContact OH-OE1 2.84Å
94	S	98.6	Very high	98.4	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	128.8	-174.8	-46.3	0	0	0	0	113.6	E74 L92 E97 Y288	E74-S94 WeakPolarHBondContact CB-OG 3.2Å; L92-S94 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 3.07Å; S94-E97 VanDerWaalsContact CA-OE1 3.25Å; S94-E97 WeakPolarHBondContact CA-OE1 3.42Å; S94-Y288 PolarHBondContact O-N 2.79Å
95	G	98.7	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	-14.4	-174.5	0	0	0	0	0	113.7	Y93 E97 M256 Y286 Y288	Y93-G95 PolarHBondContact O-N 2.95Å; G95-E97 VanDerWaalsContact C-OE2 3.27Å; G95-E97 WeakPolarHBondContact CA-OE2 3.44Å; G95-E97 VanDerWaalsContact N-CD 3.3Å; G95-E97 PolarHBondContact N-OE1 2.66Å; G95-E97 VanDerWaalsContact N-OE1 3.08Å; G95-E97 PolarHBondContact N-OE2 2.97Å; G95-M256 WeakPolarHBondContact O-CE 3.32Å; G95-Y286 CarbonylContact C-O 3.5Å; G95-Y286 VanDerWaalsContact CA-O 3.27Å; G95-Y286 WeakPolarHBondContact CA-O 3.37Å; G95-Y286 VanDerWaalsContact O-O 3.13Å; G95-Y288 VanDerWaalsContact CA-CE2 3.44Å
96	Q	98.9	Very high	98.5	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	12%	0.117	C	C	.	.			trans	-105.8	11.5	179	-57.3	-175.4	-155.9	0	0	112.9	Y93 A98 V99 E222 N224 T285	Y93-Q96 HydrophobicContact CD1-CB 3.9Å; Y93-Q96 HydrophobicContact CD2-CB 4.25Å; Y93-Q96 HydrophobicContact CE1-CB 3.62Å; Y93-Q96 WeakPolarHBondContact CE1-O 3.46Å; Y93-Q96 HydrophobicContact CE2-CB 3.99Å; Y93-Q96 VanDerWaalsContact CE2-NE2 3.25Å; Y93-Q96 HydrophobicContact CG-CB 4.21Å; Y93-Q96 WeakPolarHBondContact O-CB 3.44Å; Y93-Q96 PolarHBondContact O-N 3.07Å; Q96-A98 VanDerWaalsContact C-N 3.27Å; Q96-A98 PolarHBondContact O-N 3.22Å; Q96-V99 WeakPolarHBondContact O-CB 3.41Å; Q96-V99 PolarHBondContact O-N 2.95Å; Q96-E222 PolarHBondContact NE2-OE1 2.97Å; Q96-N224 PolarHBondContact OE1-ND2 3.27Å; Q96-T285 HydrophobicContact CB-CG2 4.33Å; Q96-T285 HydrophobicContact CG-CG2 3.74Å
97	E	98.9	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-34.7	-168.9	-61.6	87	171.6	0	0	113.6	L67 I70 R71 S94 G95 V99 A100 V101 P315	L67-E97 HydrophobicContact CD2-CB 3.47Å; L67-E97 VanDerWaalsContact CD2-CB 3.47Å; I70-E97 HydrophobicContact CB-CG 3.87Å; I70-E97 HydrophobicContact CD1-CB 4.5Å; I70-E97 HydrophobicContact CG2-CG 3.62Å; R71-E97 IonicContact CZ-OE1 2.94Å; R71-E97 VanDerWaalsContact CZ-OE1 3.24Å; R71-E97 IonicContact CZ-OE2 2.98Å; R71-E97 IonicContact NE-OE1 3.95Å; R71-E97 PolarHBondContact NE-OE1 2.91Å; R71-E97 IonicContact NE-OE2 2.94Å; R71-E97 IonicContact NH2-OE1 3.17Å; R71-E97 PolarHBondContact NH2-OE1 2.9Å; R71-E97 IonicContact NH2-OE2 3.79Å; R71-E97 PolarHBondContact NH2-OE2 3.03Å; S94-E97 VanDerWaalsContact CA-OE1 3.25Å; S94-E97 WeakPolarHBondContact CA-OE1 3.42Å; G95-E97 VanDerWaalsContact C-OE2 3.27Å; G95-E97 WeakPolarHBondContact CA-OE2 3.44Å; G95-E97 VanDerWaalsContact N-CD 3.3Å; G95-E97 PolarHBondContact N-OE1 2.66Å; G95-E97 VanDerWaalsContact N-OE1 3.08Å; G95-E97 PolarHBondContact N-OE2 2.97Å; E97-V99 PolarHBondContact O-N 2.67Å; E97-A100 PolarHBondContact O-N 3.41Å; E97-V101 WeakPolarHBondContact O-CG2 3.42Å; E97-V101 PolarHBondContact O-N 3.36Å; E97-P315 HydrophobicContact CB-CG 4.46Å; E97-P315 WeakPolarHBondContact OE2-CG 3.48Å
98	A	98.9	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.9	-32	176.2	0	0	0	0	0	112.7	Q96 G102 I258 P315	Q96-A98 VanDerWaalsContact C-N 3.27Å; Q96-A98 PolarHBondContact O-N 3.22Å; A98-G102 WeakPolarHBondContact O-CA 3.39Å; A98-G102 PolarHBondContact O-N 2.84Å; A98-I258 HydrophobicContact CB-CB 4.14Å; A98-P315 HydrophobicContact CB-CB 3.59Å
99	V	98.9	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-56.4	178.3	-179.4	0	0	0	0	110.3	Y93 Q96 E97 V101 G102 I103 F122 E222 G255 T283 T285	Y93-V99 WeakPolarHBondContact OH-CB 3.38Å; Q96-V99 WeakPolarHBondContact O-CB 3.41Å; Q96-V99 PolarHBondContact O-N 2.95Å; E97-V99 PolarHBondContact O-N 2.67Å; V99-V101 PolarHBondContact O-N 3.39Å; V99-G102 PolarHBondContact O-N 3.1Å; V99-I103 HydrophobicContact CG1-CD1 3.71Å; V99-I103 WeakPolarHBondContact O-CB 3.41Å; V99-I103 WeakPolarHBondContact O-CD1 3.44Å; V99-I103 VanDerWaalsContact O-CG1 3.23Å; V99-I103 WeakPolarHBondContact O-CG1 3.3Å; V99-I103 PolarHBondContact O-N 3.13Å; V99-F122 HydrophobicContact CG1-CZ 4.29Å; V99-E222 HydrophobicContact CG1-CG 4.25Å; V99-G255 WeakPolarHBondContact CG2-O 3.14Å; V99-T283 HydrophobicContact CG1-CG2 4.39Å; V99-T285 HydrophobicContact CG2-CG2 4.15Å
100	A	98.9	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.8	-45.1	-178.4	0	0	0	0	0	112.8	I70 Y93 E97 E104 F122 T125	I70-A100 HydrophobicContact CD1-CB 4.23Å; Y93-A100 HydrophobicContact CD1-CB 4.46Å; Y93-A100 HydrophobicContact CE1-CB 3.59Å; E97-A100 PolarHBondContact O-N 3.41Å; A100-E104 PolarHBondContact O-N 2.79Å; A100-E104 VanDerWaalsContact O-N 3.16Å; A100-F122 HydrophobicContact CB-CD1 4.09Å; A100-F122 HydrophobicContact CB-CD2 4.46Å; A100-F122 HydrophobicContact CB-CE1 3.97Å; A100-F122 HydrophobicContact CB-CE2 4.35Å; A100-F122 HydrophobicContact CB-CG 4.33Å; A100-F122 HydrophobicContact CB-CZ 4.08Å; A100-T125 HydrophobicContact CB-CG2 4.36Å
101	V	98.9	Very high	98.6	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.03	10%	0.095	C	C	.	.	H	α-helix	trans	-72.2	-40	-179	-175.2	0	0	0	0	111.3	Y63 L67 I70 E97 V99 E104 A105 T125 I258	Y63-V101 HydrophobicContact CD1-CG1 4.02Å; Y63-V101 HydrophobicContact CG-CG1 4.38Å; L67-V101 HydrophobicContact CD2-CB 4.13Å; L67-V101 HydrophobicContact CD2-CG2 3.83Å; L67-V101 HydrophobicContact CG-CG2 4.24Å; I70-V101 HydrophobicContact CD1-CG2 3.7Å; E97-V101 WeakPolarHBondContact O-CG2 3.42Å; E97-V101 PolarHBondContact O-N 3.36Å; V99-V101 PolarHBondContact O-N 3.39Å; V101-E104 PolarHBondContact O-N 2.98Å; V101-A105 VanDerWaalsContact O-CB 3.3Å; V101-A105 WeakPolarHBondContact O-CB 3.5Å; V101-A105 PolarHBondContact O-N 3.24Å; V101-T125 HydrophobicContact CG2-CG2 4.26Å; V101-I258 HydrophobicContact CB-CD1 3.95Å; V101-I258 HydrophobicContact CG1-CD1 3.53Å
102	G	98.8	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.3	-41.1	178.7	0	0	0	0	0	112.6	A98 V99 A105 R262	A98-G102 WeakPolarHBondContact O-CA 3.39Å; A98-G102 PolarHBondContact O-N 2.84Å; V99-G102 PolarHBondContact O-N 3.1Å; G102-A105 PolarHBondContact O-N 3.39Å; G102-R262 WeakPolarHBondContact O-CA 3.38Å
103	I	98.9	Very high	98.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61	-53.5	173.3	-71.2	166.3	0	0	0	109.8	V99 A105 A106 L107 I113 F122 V190 L192 I220 V261 T265	V99-I103 HydrophobicContact CG1-CD1 3.71Å; V99-I103 WeakPolarHBondContact O-CB 3.41Å; V99-I103 WeakPolarHBondContact O-CD1 3.44Å; V99-I103 VanDerWaalsContact O-CG1 3.23Å; V99-I103 WeakPolarHBondContact O-CG1 3.3Å; V99-I103 PolarHBondContact O-N 3.13Å; I103-A105 PolarHBondContact O-N 3.12Å; I103-A106 WeakPolarHBondContact O-CB 3.36Å; I103-A106 PolarHBondContact O-N 2.97Å; I103-L107 HydrophobicContact CG2-CD1 4.01Å; I103-L107 HydrophobicContact CG2-CG 4.29Å; I103-L107 WeakPolarHBondContact O-CG 3.36Å; I103-L107 PolarHBondContact O-N 2.82Å; I103-I113 HydrophobicContact CG2-CD1 3.95Å; I103-F122 HydrophobicContact CB-CE1 4.47Å; I103-F122 HydrophobicContact CD1-CE1 3.91Å; I103-F122 HydrophobicContact CD1-CZ 3.95Å; I103-V190 HydrophobicContact CG2-CG1 4.2Å; I103-L192 HydrophobicContact CD1-CD2 3.89Å; I103-I220 HydrophobicContact CD1-CD1 3.62Å; I103-I220 HydrophobicContact CG1-CD1 4.05Å; I103-V261 HydrophobicContact CG1-CG1 4.03Å; I103-T265 HydrophobicContact CG1-CG2 4.43Å; I103-T265 HydrophobicContact CG2-CG2 4.3Å
104	E	98.8	Very high	98.6	Very high	48 Å²	48	15.7 Å²	15.7	22%	0.224	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-36.6	-178.1	-166.5	68	-156.6	0	0	112.2	A100 V101 A106 L107 T125 R126	A100-E104 PolarHBondContact O-N 2.79Å; A100-E104 VanDerWaalsContact O-N 3.16Å; V101-E104 PolarHBondContact O-N 2.98Å; E104-A106 PolarHBondContact O-N 2.88Å; E104-A106 VanDerWaalsContact O-N 3.12Å; E104-L107 PolarHBondContact O-N 2.93Å; E104-T125 HydrophobicContact CB-CG2 4.47Å; E104-R126 IonicContact OE1-CZ 3.88Å; E104-R126 IonicContact OE1-NH1 3.55Å; E104-R126 PolarHBondContact OE1-NH1 3.01Å; E104-R126 WeakPolarHBondContact OE2-CD 3.27Å; E104-R126 IonicContact OE2-NH1 2.67Å
105	A	98.6	Very high	98.6	Very high	20 Å²	20	15.7 Å²	15.7	17%	0.165	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14	177.1	0	0	0	0	0	114.6	Y63 V101 G102 I103 R262	Y63-A105 HydrophobicContact CD1-CB 4.17Å; Y63-A105 HydrophobicContact CE1-CB 3.38Å; Y63-A105 HydrophobicContact CE2-CB 4.48Å; V101-A105 VanDerWaalsContact O-CB 3.3Å; V101-A105 WeakPolarHBondContact O-CB 3.5Å; V101-A105 PolarHBondContact O-N 3.24Å; G102-A105 PolarHBondContact O-N 3.39Å; I103-A105 PolarHBondContact O-N 3.12Å; A105-R262 HydrophobicContact CB-CB 4.48Å; A105-R262 HydrophobicContact CB-CG 3.84Å
106	A	98.6	Very high	98.6	Very high	11 Å²	11	16.5 Å²	16.5	9%	0.091	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-15.2	179.6	0	0	0	0	0	113.9	I103 E104 R262 T265 R266	I103-A106 WeakPolarHBondContact O-CB 3.36Å; I103-A106 PolarHBondContact O-N 2.97Å; E104-A106 PolarHBondContact O-N 2.88Å; E104-A106 VanDerWaalsContact O-N 3.12Å; A106-R262 HydrophobicContact CB-CG 4.3Å; A106-R262 WeakPolarHBondContact CB-O 3.36Å; A106-T265 HydrophobicContact CB-CG2 3.58Å; A106-R266 HydrophobicContact CB-CB 4.45Å; A106-R266 HydrophobicContact CB-CG 3.57Å
107	L	98.7	Very high	98.6	Very high	25 Å²	25	18.3 Å²	18.3	13%	0.131	11%	0.108	C	C	.	.			trans	-89	156.5	-175.1	-61.6	-172.1	0	0	0	112.3	I103 E104 D111 I113 V188 V190 T265	I103-L107 HydrophobicContact CG2-CD1 4.01Å; I103-L107 HydrophobicContact CG2-CG 4.29Å; I103-L107 WeakPolarHBondContact O-CG 3.36Å; I103-L107 PolarHBondContact O-N 2.82Å; E104-L107 PolarHBondContact O-N 2.93Å; L107-D111 HydrophobicContact CB-CB 4.1Å; L107-D111 HydrophobicContact CD1-CB 4.26Å; L107-D111 HydrophobicContact CD2-CB 4.15Å; L107-D111 HydrophobicContact CG-CB 4.38Å; L107-I113 HydrophobicContact CD1-CD1 3.76Å; L107-I113 HydrophobicContact CD1-CG1 3.7Å; L107-V188 HydrophobicContact CD2-CG2 4.25Å; L107-V190 HydrophobicContact CD1-CG2 3.92Å; L107-V190 HydrophobicContact CD2-CG2 3.76Å; L107-V190 HydrophobicContact CG-CG2 4.46Å; L107-T265 HydrophobicContact CD2-CG2 4.16Å
108	Q	97.7	Very high	98.6	Very high	80 Å²	80	19.1 Å²	19.1	37%	0.374	11%	0.111	S	C	.	.			trans	-111.2	159.2	172	71.9	-173.4	-0.7	0	0	111	G110 D111 K186 F187	Q108-G110 PolarHBondContact O-N 2.55Å; Q108-D111 WeakPolarHBondContact CG-OD2 3.33Å; Q108-D111 PolarHBondContact N-OD2 3.24Å; Q108-D111 WeakPolarHBondContact O-CB 3.27Å; Q108-D111 PolarHBondContact O-N 3.01Å; Q108-K186 PolarHBondContact NE2-O 2.97Å; Q108-F187 HydrophobicContact CG-CD1 4.28Å; Q108-F187 HydrophobicContact CG-CE1 4.41Å
109	P	97	Very high	98.6	Very high	119 Å²	119	19.1 Å²	19.1	77%	0.773	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	126	172.9	-25.6	35	0	0	0	111.7	F187	P109-F187 WeakPolarHBondContact O-CE1 3.39Å
110	G	97.6	Very high	98.6	Very high	15 Å²	15	19.1 Å²	19.1	16%	0.155	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	105	-21.5	-175.2	0	0	0	0	0	114.1	Q108 F187	Q108-G110 PolarHBondContact O-N 2.55Å; G110-F187 VanDerWaalsContact C-CG 3.46Å; G110-F187 WeakPolarHBondContact O-CB 3.45Å; G110-F187 WeakPolarHBondContact O-CG 3.14Å
111	D	98.8	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.			trans	-67.5	147.9	164.9	-64.6	-27.1	0	0	0	110.1	L107 Q108 D158 F187 V188 R273	L107-D111 HydrophobicContact CB-CB 4.1Å; L107-D111 HydrophobicContact CD1-CB 4.26Å; L107-D111 HydrophobicContact CD2-CB 4.15Å; L107-D111 HydrophobicContact CG-CB 4.38Å; Q108-D111 WeakPolarHBondContact CG-OD2 3.33Å; Q108-D111 PolarHBondContact N-OD2 3.24Å; Q108-D111 WeakPolarHBondContact O-CB 3.27Å; Q108-D111 PolarHBondContact O-N 3.01Å; D111-D158 WeakPolarHBondContact O-CB 3.17Å; D111-F187 VanDerWaalsContact OD1-CA 3.32Å; D111-F187 WeakPolarHBondContact OD1-CA 3.45Å; D111-V188 WeakPolarHBondContact CA-O 3.37Å; D111-V188 HydrophobicContact CB-CG2 4.11Å; D111-V188 PolarHBondContact OD1-N 2.94Å; D111-R273 IonicContact OD1-NH2 3.71Å; D111-R273 IonicContact OD2-CZ 3.49Å; D111-R273 IonicContact OD2-NH2 3.32Å; D111-R273 PolarHBondContact OD2-NH2 3.16Å
112	T	98.9	Very high	98.6	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.5	-171.9	65.8	0	0	0	0	112	D158 Y160 I176 M180 V188 S189 V190	T112-D158 CarbonylContact C-O 3.56Å; T112-D158 VanDerWaalsContact CA-O 3.22Å; T112-D158 WeakPolarHBondContact CA-O 3.37Å; T112-D158 HydrophobicContact CG2-CB 3.95Å; T112-Y160 HydrophobicContact CG2-CD2 4.36Å; T112-Y160 HydrophobicContact CG2-CE2 3.51Å; T112-I176 HydrophobicContact CG2-CG2 4.06Å; T112-I176 WeakPolarHBondContact OG1-CG2 3.15Å; T112-M180 HydrophobicContact CG2-CE 3.23Å; T112-M180 VanDerWaalsContact OG1-CE 3.29Å; T112-M180 WeakPolarHBondContact OG1-CE 3.48Å; T112-V188 PolarHBondContact N-O 3.2Å; T112-S189 WeakPolarHBondContact OG1-CA 3.22Å; T112-V190 PolarHBondContact O-N 3.38Å
113	I	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138	172.5	-60.4	-173.5	0	0	0	109.8	I103 L107 F122 R126 D158 F159 Y160 V190 L192	I103-I113 HydrophobicContact CG2-CD1 3.95Å; L107-I113 HydrophobicContact CD1-CD1 3.76Å; L107-I113 HydrophobicContact CD1-CG1 3.7Å; I113-F122 HydrophobicContact CD1-CD1 3.92Å; I113-F122 HydrophobicContact CD1-CE1 4.3Å; I113-F122 HydrophobicContact CG2-CD1 3.95Å; I113-F122 HydrophobicContact CG2-CE1 4.43Å; I113-F122 HydrophobicContact CG2-CG 4.39Å; I113-R126 HydrophobicContact CD1-CG 4.21Å; I113-D158 PolarHBondContact N-O 2.99Å; I113-F159 HydrophobicContact CB-CD2 4.01Å; I113-F159 HydrophobicContact CG2-CD2 3.98Å; I113-F159 HydrophobicContact CG2-CE2 4.05Å; I113-F159 CarbonylContact O-C 3.52Å; I113-F159 WeakPolarHBondContact O-CA 3.47Å; I113-Y160 PolarHBondContact O-N 3.22Å; I113-V190 WeakPolarHBondContact CA-O 3.24Å; I113-V190 HydrophobicContact CG1-CB 4.21Å; I113-L192 HydrophobicContact CG2-CD1 3.57Å
114	I	99	Very high	98.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.9	164.7	-165.3	176.8	0	0	0	110	N163 Q169 L172 I176 V190 T191 L192	I114-N163 WeakPolarHBondContact CG1-ND2 3.46Å; I114-Q169 HydrophobicContact CD1-CB 3.98Å; I114-Q169 HydrophobicContact CG1-CB 4.03Å; I114-L172 HydrophobicContact CD1-CB 3.63Å; I114-L172 HydrophobicContact CD1-CD1 4.21Å; I114-I176 HydrophobicContact CD1-CD1 4.28Å; I114-V190 PolarHBondContact N-O 3.33Å; I114-T191 HydrophobicContact CG2-CG2 3.98Å; I114-L192 WeakPolarHBondContact O-CD1 3.45Å; I114-L192 PolarHBondContact O-N 2.95Å
115	T	98.9	Very high	98.6	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	178.1	-177.1	-169.7	0	0	0	0	112.2	C119 F122 F159 G161 N163	T115-C119 HydrophobicContact CG2-CB 3.63Å; T115-F122 HydrophobicContact CG2-CD2 4.02Å; T115-F122 HydrophobicContact CG2-CG 4.45Å; T115-F159 HydrophobicContact CG2-CE2 4.03Å; T115-F159 HydrophobicContact CG2-CZ 4.22Å; T115-G161 PolarHBondContact N-O 3.06Å; T115-N163 WeakPolarHBondContact O-CB 3.46Å; T115-N163 PolarHBondContact O-N 2.82Å; T115-N163 VanDerWaalsContact O-N 3.13Å; T115-N163 PolarHBondContact O-ND2 2.92Å
116	A	98.8	Very high	98.6	Very high	16 Å²	16	19.3 Å²	19.3	13%	0.132	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-164.4	174.4	0	0	0	0	0	111.4	R118 C119 G162 N163	A116-R118 VanDerWaalsContact C-N 3.3Å; A116-R118 PolarHBondContact O-N 3.46Å; A116-C119 WeakPolarHBondContact O-CB 3.29Å; A116-G162 VanDerWaalsContact O-CA 3.23Å; A116-G162 WeakPolarHBondContact O-CA 3.34Å; A116-N163 CarbonylContact C-O 3.56Å; A116-N163 WeakPolarHBondContact CA-O 3.35Å; A116-N163 PolarHBondContact O-N 3.09Å
117	Y	98.8	Very high	98.5	Very high	41 Å²	41	21.7 Å²	21.7	16%	0.161	13%	0.134	C	C	.	.	S	Bend	trans	-69.9	-13.6	-175.1	46	-102.4	0	0	0	116	H91 C119 M152 N163 V166 H291	H91-Y117 HydrophobicContact CB-CD2 4.03Å; H91-Y117 AromaticContact CD2-CD2 3.52Å; H91-Y117 AromaticContact CD2-CE2 3.59Å; H91-Y117 AromaticContact CE1-CD2 3.47Å; H91-Y117 VanDerWaalsContact CE1-CD2 3.47Å; H91-Y117 WeakPolarHBondContact CE1-CD2 3.36Å; H91-Y117 AromaticContact CE1-CG 3.83Å; H91-Y117 AromaticContact CG-CD2 3.42Å; H91-Y117 VanDerWaalsContact CG-CD2 3.42Å; H91-Y117 AromaticContact CG-CE2 3.95Å; H91-Y117 AromaticContact ND1-CD2 3.4Å; H91-Y117 WeakPolarHBondContact ND1-CD2 3.31Å; H91-Y117 AromaticContact ND1-CG 3.93Å; H91-Y117 AromaticContact NE2-CD2 3.6Å; H91-Y117 AromaticContact NE2-CE2 3.74Å; Y117-C119 PolarHBondContact O-N 2.95Å; Y117-C119 VanDerWaalsContact O-N 3.08Å; Y117-M152 HydrophobicContact CG-SD 4.44Å; Y117-N163 PolarHBondContact N-O 2.82Å; Y117-V166 HydrophobicContact CE1-CG2 4.15Å; Y117-H291 AromaticContact CE2-CE1 3.9Å; Y117-H291 AromaticContact CZ-CE1 3.82Å; Y117-H291 PolarHBondContact OH-CE1 2.88Å
118	R	98.8	Very high	98.5	Very high	16 Å²	16	21.2 Å²	21.2	6%	0.06	13%	0.132	C	C	.	.			trans	-87.7	63.3	179.1	-159.7	-166.8	-69.2	-68.3	-14.6	110.6	H91 L92 Y93 A116 H291	H91-R118 HydrophobicContact CB-CB 4.14Å; H91-R118 HydrophobicContact CB-CG 3.97Å; H91-R118 WeakPolarHBondContact O-CG 3.5Å; L92-R118 PolarHBondContact O-NH1 3.07Å; Y93-R118 HydrophobicContact CD2-CB 4.37Å; Y93-R118 HydrophobicContact CD2-CG 3.72Å; Y93-R118 WeakPolarHBondContact CD2-O 3.48Å; A116-R118 VanDerWaalsContact C-N 3.3Å; A116-R118 PolarHBondContact O-N 3.46Å; R118-H291 PolarHBondContact NH1-O 2.74Å; R118-H291 PolarHBondContact NH2-O 2.76Å
119	C	98.8	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.136	C	C	.	.			trans	-115.2	2.4	-157.8	69	0	0	0	0	115.9	T115 A116 Y117 G121 F122 T123 F159	T115-C119 HydrophobicContact CG2-CB 3.63Å; A116-C119 WeakPolarHBondContact O-CB 3.29Å; Y117-C119 PolarHBondContact O-N 2.95Å; Y117-C119 VanDerWaalsContact O-N 3.08Å; C119-G121 VanDerWaalsContact C-N 3.33Å; C119-G121 PolarHBondContact O-N 2.9Å; C119-F122 PolarHBondContact O-N 3.14Å; C119-T123 WeakPolarHBondContact O-CB 3.42Å; C119-T123 PolarHBondContact O-N 2.98Å; C119-T123 PolarHBondContact O-OG1 2.76Å; C119-F159 HydrophobicContact CB-CZ 4.11Å
120	H	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-41.4	-173.4	-39.6	146.7	0	0	0	111.9	M73 E74 H91 T123 M124 I133 S151	M73-H120 HydrophobicContact CE-CB 3.71Å; E74-H120 WeakPolarHBondContact OE1-CB 3.26Å; E74-H120 IonicContact OE1-CG 3.66Å; E74-H120 IonicContact OE1-ND1 3.79Å; E74-H120 PolarHBondContact OE1-ND1 3.25Å; E74-H120 IonicContact OE2-CE1 2.86Å; E74-H120 IonicContact OE2-CG 2.63Å; E74-H120 IonicContact OE2-ND1 3.53Å; E74-H120 PolarHBondContact OE2-ND1 2.96Å; H91-H120 PolarHBondContact O-CE1 3.31Å; H120-T123 WeakPolarHBondContact O-CB 3.42Å; H120-T123 PolarHBondContact O-N 3.37Å; H120-M124 PolarHBondContact O-N 3.03Å; H120-I133 HydrophobicContact CB-CG2 4.44Å; H120-S151 PolarHBondContact NE2-OG 3.28Å
121	G	98.8	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.9	-51.6	174.8	0	0	0	0	0	112.5	C119 T123 M124 T125	C119-G121 VanDerWaalsContact C-N 3.33Å; C119-G121 PolarHBondContact O-N 2.9Å; G121-T123 VanDerWaalsContact C-N 3.35Å; G121-T123 PolarHBondContact O-N 2.94Å; G121-M124 WeakPolarHBondContact O-CB 3.38Å; G121-M124 PolarHBondContact O-N 3.37Å; G121-T125 WeakPolarHBondContact O-CG2 3.31Å; G121-T125 PolarHBondContact O-N 3.48Å; G121-T125 PolarHBondContact O-OG1 3.05Å
122	F	98.9	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-39.1	175.5	-72.9	-72.2	0	0	0	113	Y93 V99 A100 I103 I113 T115 C119 M124 T125 R126 F159 L192	Y93-F122 HydrophobicContact CE2-CD2 4.38Å; Y93-F122 AromaticContact CE2-CE2 3.96Å; Y93-F122 HydrophobicContact CE2-CE2 3.96Å; Y93-F122 AromaticContact CZ-CE2 3.66Å; Y93-F122 WeakPolarHBondContact OH-CE2 3.43Å; Y93-F122 WeakPolarHBondContact OH-CZ 3.4Å; V99-F122 HydrophobicContact CG1-CZ 4.29Å; A100-F122 HydrophobicContact CB-CD1 4.09Å; A100-F122 HydrophobicContact CB-CD2 4.46Å; A100-F122 HydrophobicContact CB-CE1 3.97Å; A100-F122 HydrophobicContact CB-CE2 4.35Å; A100-F122 HydrophobicContact CB-CG 4.33Å; A100-F122 HydrophobicContact CB-CZ 4.08Å; I103-F122 HydrophobicContact CB-CE1 4.47Å; I103-F122 HydrophobicContact CD1-CE1 3.91Å; I103-F122 HydrophobicContact CD1-CZ 3.95Å; I113-F122 HydrophobicContact CD1-CD1 3.92Å; I113-F122 HydrophobicContact CD1-CE1 4.3Å; I113-F122 HydrophobicContact CG2-CD1 3.95Å; I113-F122 HydrophobicContact CG2-CE1 4.43Å; I113-F122 HydrophobicContact CG2-CG 4.39Å; T115-F122 HydrophobicContact CG2-CD2 4.02Å; T115-F122 HydrophobicContact CG2-CG 4.45Å; C119-F122 PolarHBondContact O-N 3.14Å; F122-M124 PolarHBondContact O-N 2.75Å; F122-T125 WeakPolarHBondContact CA-OG1 3.49Å; F122-T125 PolarHBondContact O-N 2.81Å; F122-T125 PolarHBondContact O-OG1 3.22Å; F122-R126 WeakPolarHBondContact O-CB 3.22Å; F122-R126 WeakPolarHBondContact O-CG 3.49Å; F122-R126 PolarHBondContact O-N 2.96Å; F122-F159 HydrophobicContact CB-CE2 3.86Å; F122-F159 HydrophobicContact CB-CZ 4.11Å; F122-L192 HydrophobicContact CE1-CD1 4.32Å; F122-L192 HydrophobicContact CE1-CD2 4.02Å; F122-L192 HydrophobicContact CE2-CD2 3.75Å; F122-L192 HydrophobicContact CZ-CD1 4.26Å; F122-L192 HydrophobicContact CZ-CD2 3.27Å; F122-L192 HydrophobicContact CZ-CG 4.4Å
123	T	98.9	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-40.9	178.1	-54.3	0	0	0	0	110.5	C119 H120 G121 V128 I133 L154 F159	C119-T123 WeakPolarHBondContact O-CB 3.42Å; C119-T123 PolarHBondContact O-N 2.98Å; C119-T123 PolarHBondContact O-OG1 2.76Å; H120-T123 WeakPolarHBondContact O-CB 3.42Å; H120-T123 PolarHBondContact O-N 3.37Å; G121-T123 VanDerWaalsContact C-N 3.35Å; G121-T123 PolarHBondContact O-N 2.94Å; T123-V128 HydrophobicContact CG2-CB 3.75Å; T123-V128 HydrophobicContact CG2-CG1 4.15Å; T123-V128 HydrophobicContact CG2-CG2 3.6Å; T123-V128 VanDerWaalsContact O-CB 3.31Å; T123-V128 WeakPolarHBondContact O-CB 3.46Å; T123-V128 WeakPolarHBondContact O-CG2 3.38Å; T123-V128 PolarHBondContact O-N 2.81Å; T123-I133 HydrophobicContact CG2-CD1 3.86Å; T123-I133 HydrophobicContact CG2-CG1 3.8Å; T123-L154 HydrophobicContact CG2-CB 3.77Å; T123-L154 HydrophobicContact CG2-CD1 3.91Å; T123-L154 HydrophobicContact CG2-CG 4.45Å; T123-L154 WeakPolarHBondContact OG1-CD1 3.36Å; T123-F159 HydrophobicContact CG2-CE1 4.29Å; T123-F159 VanDerWaalsContact OG1-CE1 3.23Å; T123-F159 WeakPolarHBondContact OG1-CE1 3.17Å
124	M	98.7	Very high	98.7	Very high	20 Å²	20	17.7 Å²	17.7	10%	0.099	11%	0.109	C	C	.	.	H	α-helix	trans	-68.4	-48.8	176	-169.7	-153.2	78.6	0	0	111.9	R69 I70 M73 H120 G121 F122 R126 G127 I130 I133	R69-M124 HydrophobicContact CB-CE 4.18Å; R69-M124 HydrophobicContact CB-SD 3.57Å; R69-M124 VanDerWaalsContact CB-SD 3.57Å; I70-M124 HydrophobicContact CD1-CE 3.96Å; I70-M124 HydrophobicContact CG1-CE 3.37Å; I70-M124 HydrophobicContact CG1-SD 3.7Å; M73-M124 HydrophobicContact CE-CB 4.21Å; H120-M124 PolarHBondContact O-N 3.03Å; G121-M124 WeakPolarHBondContact O-CB 3.38Å; G121-M124 PolarHBondContact O-N 3.37Å; F122-M124 PolarHBondContact O-N 2.75Å; M124-R126 PolarHBondContact O-N 3.07Å; M124-G127 PolarHBondContact O-N 2.86Å; M124-I130 HydrophobicContact CG-CG1 4.15Å; M124-I130 HydrophobicContact SD-CD1 4.33Å; M124-I130 HydrophobicContact SD-CG1 4.43Å; M124-I133 HydrophobicContact CB-CD1 3.82Å; M124-I133 HydrophobicContact CG-CD1 4.49Å
125	T	98.6	Very high	98.7	Very high	22 Å²	22	17.6 Å²	17.6	14%	0.135	11%	0.109	C	C	.	.	H	α-helix	trans	-64.9	-29.6	-179.6	59.5	0	0	0	0	112.2	I70 A100 V101 E104 G121 F122 G127	I70-T125 HydrophobicContact CD1-CG2 4.15Å; A100-T125 HydrophobicContact CB-CG2 4.36Å; V101-T125 HydrophobicContact CG2-CG2 4.26Å; E104-T125 HydrophobicContact CB-CG2 4.47Å; G121-T125 WeakPolarHBondContact O-CG2 3.31Å; G121-T125 PolarHBondContact O-N 3.48Å; G121-T125 PolarHBondContact O-OG1 3.05Å; F122-T125 WeakPolarHBondContact CA-OG1 3.49Å; F122-T125 PolarHBondContact O-N 2.81Å; F122-T125 PolarHBondContact O-OG1 3.22Å; T125-G127 PolarHBondContact O-N 2.61Å
126	R	98.4	Very high	98.7	Very high	35 Å²	35	17.6 Å²	17.6	13%	0.132	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	9.3	172.3	-68.3	-58.7	-45.8	158.1	1.5	114.6	E104 I113 F122 M124 K157 F159	E104-R126 IonicContact OE1-CZ 3.88Å; E104-R126 IonicContact OE1-NH1 3.55Å; E104-R126 PolarHBondContact OE1-NH1 3.01Å; E104-R126 WeakPolarHBondContact OE2-CD 3.27Å; E104-R126 IonicContact OE2-NH1 2.67Å; I113-R126 HydrophobicContact CD1-CG 4.21Å; F122-R126 WeakPolarHBondContact O-CB 3.22Å; F122-R126 WeakPolarHBondContact O-CG 3.49Å; F122-R126 PolarHBondContact O-N 2.96Å; M124-R126 PolarHBondContact O-N 3.07Å; R126-K157 PolarHBondContact NH2-O 3.28Å; R126-F159 HydrophobicContact CB-CB 3.84Å; R126-F159 HydrophobicContact CB-CG 4.11Å; R126-F159 HydrophobicContact CG-CB 3.78Å; R126-F159 HydrophobicContact CG-CD2 3.97Å; R126-F159 HydrophobicContact CG-CG 3.92Å
127	G	97.8	Very high	98.7	Very high	62 Å²	62	17.2 Å²	17.2	64%	0.639	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	92	9.3	166.7	0	0	0	0	0	115.3	M124 T125 P129	M124-G127 PolarHBondContact O-N 2.86Å; T125-G127 PolarHBondContact O-N 2.61Å; G127-P129 WeakPolarHBondContact O-CD 3.26Å
128	V	98.7	Very high	98.7	Very high	14 Å²	14	15.9 Å²	15.9	9%	0.085	10%	0.101	C	C	.	.			trans	-74.2	127.3	171.9	-175.4	0	0	0	0	109	T123 N132 I133 C144 A156	T123-V128 HydrophobicContact CG2-CB 3.75Å; T123-V128 HydrophobicContact CG2-CG1 4.15Å; T123-V128 HydrophobicContact CG2-CG2 3.6Å; T123-V128 VanDerWaalsContact O-CB 3.31Å; T123-V128 WeakPolarHBondContact O-CB 3.46Å; T123-V128 WeakPolarHBondContact O-CG2 3.38Å; T123-V128 PolarHBondContact O-N 2.81Å; V128-N132 HydrophobicContact CG1-CB 3.88Å; V128-I133 HydrophobicContact CB-CD1 4.25Å; V128-I133 HydrophobicContact CB-CG1 4.1Å; V128-I133 HydrophobicContact CG1-CD1 4.36Å; V128-I133 HydrophobicContact CG1-CG1 3.69Å; V128-C144 HydrophobicContact CG1-CB 3.77Å; V128-A156 HydrophobicContact CG2-CB 3.47Å; V128-A156 VanDerWaalsContact CG2-CB 3.47Å
129	P	98.5	Very high	98.6	Very high	71 Å²	71	16.2 Å²	16.2	46%	0.461	11%	0.11	S	C	.	.			trans	-59.3	141.9	176.3	-23.5	33.7	0	0	0	111.8	G127 H131 N132 I133	G127-P129 WeakPolarHBondContact O-CD 3.26Å; P129-H131 PolarHBondContact O-N 2.78Å; P129-N132 PolarHBondContact O-N 3.49Å; P129-I133 PolarHBondContact O-N 3.22Å; P129-I133 VanDerWaalsContact O-N 3.16Å
130	I	98.8	Very high	98.6	Very high	11 Å²	11	18 Å²	18	6%	0.056	12%	0.117	C	C	.	.	H	α-helix	trans	-53.5	-40.4	179	-66.7	177.7	0	0	0	111.2	R69 M73 M124 N132 I133 V134 V345 E348	R69-I130 HydrophobicContact CB-CD1 4.09Å; R69-I130 HydrophobicContact CG-CD1 4.22Å; M73-I130 HydrophobicContact CB-CG2 4.46Å; M73-I130 HydrophobicContact CG-CG2 4.16Å; M73-I130 HydrophobicContact SD-CG1 4.28Å; M73-I130 HydrophobicContact SD-CG2 4.22Å; M124-I130 HydrophobicContact CG-CG1 4.15Å; M124-I130 HydrophobicContact SD-CD1 4.33Å; M124-I130 HydrophobicContact SD-CG1 4.43Å; I130-N132 VanDerWaalsContact C-N 3.34Å; I130-N132 PolarHBondContact O-N 2.79Å; I130-I133 PolarHBondContact O-N 3.11Å; I130-I133 VanDerWaalsContact O-N 3.14Å; I130-V134 HydrophobicContact CG2-CG2 3.99Å; I130-V134 VanDerWaalsContact O-CG2 3.31Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 3.45Å; I130-V345 HydrophobicContact CD1-CG2 3.75Å; I130-V345 HydrophobicContact CG2-CG1 4.38Å; I130-E348 HydrophobicContact CB-CB 4.48Å; I130-E348 HydrophobicContact CG2-CB 4.29Å
131	H	98.7	Very high	98.5	Very high	13 Å²	13	22.8 Å²	22.8	6%	0.06	14%	0.138	C	C	.	.	H	α-helix	trans	-51.3	-48.7	172.9	168.8	-98.2	0	0	0	113.5	P129 I133 V134 A135 E348 A352 D355	P129-H131 PolarHBondContact O-N 2.78Å; H131-I133 VanDerWaalsContact C-N 3.33Å; H131-I133 PolarHBondContact O-N 2.86Å; H131-V134 PolarHBondContact O-N 3Å; H131-A135 WeakPolarHBondContact O-CB 3.16Å; H131-A135 PolarHBondContact O-N 2.95Å; H131-E348 HydrophobicContact CB-CB 4.19Å; H131-E348 WeakPolarHBondContact CB-OE2 3.44Å; H131-E348 IonicContact CG-OE2 3.86Å; H131-A352 PolarHBondContact CD2-N 3.15Å; H131-D355 IonicContact CE1-OD2 2.72Å; H131-D355 PolarHBondContact CE1-OD2 3.18Å; H131-D355 IonicContact NE2-OD2 3.65Å; H131-D355 PolarHBondContact NE2-OD2 3.19Å
132	N	98.8	Very high	98.5	Very high	47 Å²	47	24.4 Å²	24.4	25%	0.251	15%	0.148	S	C	.	.	H	α-helix	trans	-70.6	-30.4	-179.2	-67.6	68.7	0	0	0	112.1	V128 P129 I130 E136 T142 G143 C144	V128-N132 HydrophobicContact CG1-CB 3.88Å; P129-N132 PolarHBondContact O-N 3.49Å; I130-N132 VanDerWaalsContact C-N 3.34Å; I130-N132 PolarHBondContact O-N 2.79Å; N132-E136 WeakPolarHBondContact O-CB 3.21Å; N132-E136 PolarHBondContact O-N 2.87Å; N132-E136 VanDerWaalsContact O-N 3.13Å; N132-T142 PolarHBondContact ND2-O 3.23Å; N132-G143 WeakPolarHBondContact O-CA 3.42Å; N132-C144 HydrophobicContact CB-CB 4.29Å; N132-C144 PolarHBondContact O-N 3.16Å
133	I	98.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-51.8	173.3	-60.1	173.1	0	0	0	109.6	M73 H120 T123 M124 V128 P129 I130 H131 A135 E136 L137 L154	M73-I133 HydrophobicContact CE-CD1 4.45Å; M73-I133 HydrophobicContact SD-CB 4.18Å; M73-I133 HydrophobicContact SD-CD1 3.89Å; M73-I133 HydrophobicContact SD-CG2 3.87Å; H120-I133 HydrophobicContact CB-CG2 4.44Å; T123-I133 HydrophobicContact CG2-CD1 3.86Å; T123-I133 HydrophobicContact CG2-CG1 3.8Å; M124-I133 HydrophobicContact CB-CD1 3.82Å; M124-I133 HydrophobicContact CG-CD1 4.49Å; V128-I133 HydrophobicContact CB-CD1 4.25Å; V128-I133 HydrophobicContact CB-CG1 4.1Å; V128-I133 HydrophobicContact CG1-CD1 4.36Å; V128-I133 HydrophobicContact CG1-CG1 3.69Å; P129-I133 PolarHBondContact O-N 3.22Å; P129-I133 VanDerWaalsContact O-N 3.16Å; I130-I133 PolarHBondContact O-N 3.11Å; I130-I133 VanDerWaalsContact O-N 3.14Å; H131-I133 VanDerWaalsContact C-N 3.33Å; H131-I133 PolarHBondContact O-N 2.86Å; I133-A135 PolarHBondContact O-N 3.24Å; I133-E136 WeakPolarHBondContact O-CB 3.43Å; I133-E136 PolarHBondContact O-N 3.29Å; I133-L137 HydrophobicContact CG2-CD1 4.13Å; I133-L137 WeakPolarHBondContact O-CD1 3.37Å; I133-L137 PolarHBondContact O-N 2.85Å; I133-L137 VanDerWaalsContact O-N 3.08Å; I133-L154 HydrophobicContact CG2-CD1 4.15Å
134	V	98.8	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-44.5	180	175.5	0	0	0	0	111.1	L77 M80 I130 H131 E136 L137 A138 V349 A352	L77-V134 HydrophobicContact CD2-CG2 4.05Å; M80-V134 HydrophobicContact CE-CG1 3.69Å; M80-V134 HydrophobicContact SD-CG1 3.77Å; I130-V134 HydrophobicContact CG2-CG2 3.99Å; I130-V134 VanDerWaalsContact O-CG2 3.31Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 3.45Å; H131-V134 PolarHBondContact O-N 3Å; V134-E136 VanDerWaalsContact C-N 3.29Å; V134-E136 PolarHBondContact O-N 3.4Å; V134-L137 PolarHBondContact O-N 3.29Å; V134-A138 WeakPolarHBondContact O-CB 3.3Å; V134-A138 PolarHBondContact O-N 3.46Å; V134-V349 HydrophobicContact CG1-CG1 4.44Å; V134-V349 HydrophobicContact CG1-CG2 4.21Å; V134-V349 HydrophobicContact CG2-CG2 3.99Å; V134-A352 HydrophobicContact CB-CB 3.99Å; V134-A352 HydrophobicContact CG1-CB 3.76Å
135	A	98.7	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-40.6	176	0	0	0	0	0	111.9	H131 I133 A138 G139 R140 T142 A352	H131-A135 WeakPolarHBondContact O-CB 3.16Å; H131-A135 PolarHBondContact O-N 2.95Å; I133-A135 PolarHBondContact O-N 3.24Å; A135-A138 CarbonylContact O-C 3.57Å; A135-A138 PolarHBondContact O-N 3.01Å; A135-G139 PolarHBondContact O-N 2.86Å; A135-G139 VanDerWaalsContact O-N 3.07Å; A135-R140 HydrophobicContact CB-CB 4.08Å; A135-R140 WeakPolarHBondContact O-CB 3.37Å; A135-R140 PolarHBondContact O-N 2.63Å; A135-T142 WeakPolarHBondContact CB-OG1 3.41Å; A135-A352 HydrophobicContact CB-CB 4.01Å
136	E	98.8	Very high	98.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-45.9	177.2	-171.1	56.2	-135.3	0	0	111.6	N132 I133 V134 A138 G139 G143 C144 T145 K146 G147 L148 G149 G150 L154	N132-E136 WeakPolarHBondContact O-CB 3.21Å; N132-E136 PolarHBondContact O-N 2.87Å; N132-E136 VanDerWaalsContact O-N 3.13Å; I133-E136 WeakPolarHBondContact O-CB 3.43Å; I133-E136 PolarHBondContact O-N 3.29Å; V134-E136 VanDerWaalsContact C-N 3.29Å; V134-E136 PolarHBondContact O-N 3.4Å; E136-A138 VanDerWaalsContact C-N 3.25Å; E136-A138 PolarHBondContact O-N 3.14Å; E136-G139 PolarHBondContact O-N 3.39Å; E136-G143 WeakPolarHBondContact OE2-CA 3.45Å; E136-C144 PolarHBondContact OE2-N 3.41Å; E136-T145 WeakPolarHBondContact CG-OG1 3.38Å; E136-T145 PolarHBondContact OE1-OG1 2.88Å; E136-T145 WeakPolarHBondContact OE2-CA 3.48Å; E136-T145 PolarHBondContact OE2-N 2.94Å; E136-T145 PolarHBondContact OE2-OG1 2.97Å; E136-T145 VanDerWaalsContact OE2-OG1 3.13Å; E136-K146 PolarHBondContact OE2-N 3.45Å; E136-G147 WeakPolarHBondContact OE1-CA 3.48Å; E136-G147 PolarHBondContact OE1-N 2.93Å; E136-G147 PolarHBondContact OE2-N 3.35Å; E136-L148 PolarHBondContact OE1-N 3.07Å; E136-L148 VanDerWaalsContact OE1-N 3.12Å; E136-G149 PolarHBondContact OE1-N 2.82Å; E136-G150 PolarHBondContact OE1-N 2.93Å; E136-L154 HydrophobicContact CB-CD2 3.89Å; E136-L154 HydrophobicContact CG-CD2 3.37Å
137	L	98.7	Very high	98	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-30.6	177.5	-86.6	74.4	0	0	0	112.5	L77 I86 I133 V134 G139 L154	L77-L137 HydrophobicContact CB-CD2 4.44Å; L77-L137 HydrophobicContact CD1-CD2 3.66Å; L77-L137 HydrophobicContact CD2-CB 4.15Å; L77-L137 HydrophobicContact CD2-CD2 3.58Å; L77-L137 HydrophobicContact CD2-CG 4.42Å; L77-L137 HydrophobicContact CG-CD2 4.07Å; I86-L137 HydrophobicContact CD1-CB 3.91Å; I86-L137 HydrophobicContact CD1-CD2 4.25Å; I86-L137 HydrophobicContact CG1-CB 4.13Å; I86-L137 HydrophobicContact CG2-CB 4.33Å; I133-L137 HydrophobicContact CG2-CD1 4.13Å; I133-L137 WeakPolarHBondContact O-CD1 3.37Å; I133-L137 PolarHBondContact O-N 2.85Å; I133-L137 VanDerWaalsContact O-N 3.08Å; V134-L137 PolarHBondContact O-N 3.29Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-L154 HydrophobicContact CD1-CD1 4.24Å; L137-L154 HydrophobicContact CD1-CD2 4.25Å
138	A	98.1	Very high	97.9	Very high	12 Å²	12	32 Å²	32	10%	0.099	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.4	174.2	0	0	0	0	0	113.7	M80 V134 A135 E136 R140 M353	M80-A138 HydrophobicContact CE-CB 4.11Å; V134-A138 WeakPolarHBondContact O-CB 3.3Å; V134-A138 PolarHBondContact O-N 3.46Å; A135-A138 CarbonylContact O-C 3.57Å; A135-A138 PolarHBondContact O-N 3.01Å; E136-A138 VanDerWaalsContact C-N 3.25Å; E136-A138 PolarHBondContact O-N 3.14Å; A138-R140 HydrophobicContact CB-CG 4.01Å; A138-R140 WeakPolarHBondContact O-CD 3.46Å; A138-R140 PolarHBondContact O-NE 2.88Å; A138-R140 VanDerWaalsContact O-NE 3.13Å; A138-M353 HydrophobicContact CB-SD 3.9Å
139	G	97.7	Very high	97.9	Very high	24 Å²	24	32.3 Å²	32.3	25%	0.247	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	36.4	177.2	0	0	0	0	0	114.3	A135 E136 L137 P358	A135-G139 PolarHBondContact O-N 2.86Å; A135-G139 VanDerWaalsContact O-N 3.07Å; E136-G139 PolarHBondContact O-N 3.39Å; L137-G139 VanDerWaalsContact C-N 3.29Å; G139-P358 VanDerWaalsContact O-CD 3.24Å; G139-P358 WeakPolarHBondContact O-CD 3.23Å
140	R	98	Very high	97.8	Very high	36 Å²	36	30 Å²	30	14%	0.136	18%	0.175	C	C	.	.			trans	-101.2	153.7	-176.9	-48	-53	179.4	82	-1	112.1	A135 A138 T142 G143 K146 G147 A352 M353 D355	A135-R140 HydrophobicContact CB-CB 4.08Å; A135-R140 WeakPolarHBondContact O-CB 3.37Å; A135-R140 PolarHBondContact O-N 2.63Å; A138-R140 HydrophobicContact CB-CG 4.01Å; A138-R140 WeakPolarHBondContact O-CD 3.46Å; A138-R140 PolarHBondContact O-NE 2.88Å; A138-R140 VanDerWaalsContact O-NE 3.13Å; R140-T142 PolarHBondContact O-N 3.45Å; R140-T142 VanDerWaalsContact O-N 3.12Å; R140-G143 PolarHBondContact O-N 2.95Å; R140-K146 CarbonylContact O-C 3.58Å; R140-G147 WeakPolarHBondContact O-CA 3.33Å; R140-G147 PolarHBondContact O-N 3.27Å; R140-A352 PolarHBondContact NH1-O 3.24Å; R140-M353 PolarHBondContact NH1-O 2.7Å; R140-D355 HydrophobicContact CB-CB 3.96Å; R140-D355 WeakPolarHBondContact CD-O 3.23Å; R140-D355 HydrophobicContact CG-CB 4.35Å; R140-D355 PolarHBondContact NH1-O 3.4Å
141	K	97.2	Very high	97.8	Very high	101 Å²	101	29.8 Å²	29.8	44%	0.439	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.6	-175.3	76.4	-173.3	-174.8	-171.9	0	114.6	G143 S356 P358	K141-G143 VanDerWaalsContact C-N 3.32Å; K141-S356 VanDerWaalsContact CE-OG 3.25Å; K141-S356 WeakPolarHBondContact CE-OG 3.37Å; K141-S356 WeakPolarHBondContact CG-O 3.37Å; K141-S356 PolarHBondContact N-O 2.98Å; K141-S356 PolarHBondContact NZ-OG 3.22Å; K141-P358 HydrophobicContact CB-CB 4.48Å; K141-P358 HydrophobicContact CB-CG 4.36Å
142	T	98.1	Very high	97.8	Very high	35 Å²	35	30.9 Å²	30.9	22%	0.215	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.5	179.2	49.8	0	0	0	0	112.8	N132 A135 R140 D355	N132-T142 PolarHBondContact ND2-O 3.23Å; A135-T142 WeakPolarHBondContact CB-OG1 3.41Å; R140-T142 PolarHBondContact O-N 3.45Å; R140-T142 VanDerWaalsContact O-N 3.12Å; T142-D355 VanDerWaalsContact CB-OD2 3.26Å; T142-D355 WeakPolarHBondContact CB-OD2 3.33Å; T142-D355 HydrophobicContact CG2-CB 4.24Å; T142-D355 WeakPolarHBondContact CG2-OD2 3.21Å; T142-D355 WeakPolarHBondContact OG1-CB 3.18Å; T142-D355 PolarHBondContact OG1-OD2 2.96Å
143	G	98.3	Very high	97.8	Very high	5 Å²	5	31.6 Å²	31.6	5%	0.052	18%	0.182	C	C	.	.	S	Bend	trans	-53.2	151	171.2	0	0	0	0	0	111.8	N132 E136 R140 K141 T145 K146	N132-G143 WeakPolarHBondContact O-CA 3.42Å; E136-G143 WeakPolarHBondContact OE2-CA 3.45Å; R140-G143 PolarHBondContact O-N 2.95Å; K141-G143 VanDerWaalsContact C-N 3.32Å; G143-T145 PolarHBondContact O-N 3.4Å; G143-T145 VanDerWaalsContact O-N 3.09Å; G143-K146 WeakPolarHBondContact O-CA 3.26Å; G143-K146 PolarHBondContact O-N 2.86Å
144	C	97.7	Very high	97.8	Very high	36 Å²	36	31.6 Å²	31.6	24%	0.243	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.9	-178.1	61.2	0	0	0	0	113.5	V128 N132 E136	V128-C144 HydrophobicContact CG1-CB 3.77Å; N132-C144 HydrophobicContact CB-CB 4.29Å; N132-C144 PolarHBondContact O-N 3.16Å; E136-C144 PolarHBondContact OE2-N 3.41Å
145	T	96.5	Very high	97.8	Very high	29 Å²	29	36.3 Å²	36.3	18%	0.178	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	24.9	168.3	52.3	0	0	0	0	112.8	E136 G143 G147 L148 G149 H153 Y155	E136-T145 WeakPolarHBondContact CG-OG1 3.38Å; E136-T145 PolarHBondContact OE1-OG1 2.88Å; E136-T145 WeakPolarHBondContact OE2-CA 3.48Å; E136-T145 PolarHBondContact OE2-N 2.94Å; E136-T145 PolarHBondContact OE2-OG1 2.97Å; E136-T145 VanDerWaalsContact OE2-OG1 3.13Å; G143-T145 PolarHBondContact O-N 3.4Å; G143-T145 VanDerWaalsContact O-N 3.09Å; T145-G147 VanDerWaalsContact C-N 3.31Å; T145-G147 PolarHBondContact O-N 3.36Å; T145-L148 WeakPolarHBondContact O-CB 3.31Å; T145-L148 PolarHBondContact O-N 2.93Å; T145-G149 PolarHBondContact OG1-N 3.48Å; T145-H153 VanDerWaalsContact CG2-O 3.27Å; T145-H153 WeakPolarHBondContact CG2-O 3.32Å; T145-H153 PolarHBondContact OG1-O 3.5Å; T145-Y155 HydrophobicContact CG2-CD2 3.64Å; T145-Y155 HydrophobicContact CG2-CE2 4.31Å
146	K	96.3	Very high	97.8	Very high	110 Å²	110	37.9 Å²	37.9	48%	0.478	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	29.8	174.7	-51.4	175.2	-178.6	175.2	0	114.1	E136 R140 G143 L148 P358	E136-K146 PolarHBondContact OE2-N 3.45Å; R140-K146 CarbonylContact O-C 3.58Å; G143-K146 WeakPolarHBondContact O-CA 3.26Å; G143-K146 PolarHBondContact O-N 2.86Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 2.94Å; K146-P358 WeakPolarHBondContact O-CG 3.45Å
147	G	95.9	Very high	97.7	Very high	22 Å²	22	45.9 Å²	45.9	23%	0.227	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	11.5	-179.9	0	0	0	0	0	114.1	E136 R140 T145	E136-G147 WeakPolarHBondContact OE1-CA 3.48Å; E136-G147 PolarHBondContact OE1-N 2.93Å; E136-G147 PolarHBondContact OE2-N 3.35Å; R140-G147 WeakPolarHBondContact O-CA 3.33Å; R140-G147 PolarHBondContact O-N 3.27Å; T145-G147 VanDerWaalsContact C-N 3.31Å; T145-G147 PolarHBondContact O-N 3.36Å
148	L	95.4	Very high	97.7	Very high	96 Å²	96	47 Å²	47	50%	0.503	25%	0.254	S	S	.	.	S	Bend	trans	-94.5	-24.1	-177.7	-60.5	176.4	0	0	0	113.1	E136 T145 K146 T362	E136-L148 PolarHBondContact OE1-N 3.07Å; E136-L148 VanDerWaalsContact OE1-N 3.12Å; T145-L148 WeakPolarHBondContact O-CB 3.31Å; T145-L148 PolarHBondContact O-N 2.93Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 2.94Å; L148-T362 HydrophobicContact CD1-CG2 4.21Å; L148-T362 HydrophobicContact CD2-CG2 4.2Å; L148-T362 HydrophobicContact CG-CG2 4.46Å
149	G	97.2	Very high	97.7	Very high	20 Å²	20	46.6 Å²	46.6	21%	0.206	25%	0.25	C	S	.	.	S	Bend	trans	-98.1	-36.6	-172.2	0	0	0	0	0	113.7	E136 T145 H153	E136-G149 PolarHBondContact OE1-N 2.82Å; T145-G149 PolarHBondContact OG1-N 3.48Å; G149-H153 PolarHBondContact O-CD2 3.43Å
150	G	98.2	Very high	97.8	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	62.5	-158.7	-171.4	0	0	0	0	0	112.9	E136 M152 H153 L154	E136-G150 PolarHBondContact OE1-N 2.93Å; G150-M152 VanDerWaalsContact C-N 3.29Å; G150-M152 PolarHBondContact O-N 3.28Å; G150-M152 VanDerWaalsContact O-N 3.17Å; G150-H153 PolarHBondContact O-N 3.28Å; G150-L154 VanDerWaalsContact O-CD2 3.24Å; G150-L154 WeakPolarHBondContact O-CD2 3.27Å
151	S	98.7	Very high	97.8	Very high	7 Å²	7	47.4 Å²	47.4	5%	0.049	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.9	-35.7	-170.8	172.8	0	0	0	0	115	F89 H120	F89-S151 WeakPolarHBondContact O-CB 3.32Å; H120-S151 PolarHBondContact NE2-OG 3.28Å
152	M	98.8	Very high	97.8	Very high	36 Å²	36	42.6 Å²	42.6	18%	0.177	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-86.9	-18	-169.7	-57.5	-165.7	-64.5	0	0	113.5	F89 Y117 G150 G162	F89-M152 HydrophobicContact CB-CE 4.4Å; F89-M152 HydrophobicContact CB-CG 4.05Å; F89-M152 HydrophobicContact CB-SD 3.88Å; F89-M152 HydrophobicContact CD2-CE 3.6Å; F89-M152 HydrophobicContact CD2-SD 3.87Å; F89-M152 HydrophobicContact CE2-CE 4.26Å; F89-M152 HydrophobicContact CG-CE 4.28Å; F89-M152 HydrophobicContact CG-SD 3.95Å; Y117-M152 HydrophobicContact CG-SD 4.44Å; G150-M152 VanDerWaalsContact C-N 3.29Å; G150-M152 PolarHBondContact O-N 3.28Å; G150-M152 VanDerWaalsContact O-N 3.17Å; M152-G162 CarbonylContact O-C 3.57Å; M152-G162 WeakPolarHBondContact O-CA 3.47Å
153	H	98.8	Very high	97.9	Very high	62 Å²	62	41.9 Å²	41.9	29%	0.287	22%	0.22	S	C	.	.			trans	-128.1	66.9	-165.9	-57.4	-55.7	0	0	0	111	T145 G149 G150 Y155 G162	T145-H153 VanDerWaalsContact CG2-O 3.27Å; T145-H153 WeakPolarHBondContact CG2-O 3.32Å; T145-H153 PolarHBondContact OG1-O 3.5Å; G149-H153 PolarHBondContact O-CD2 3.43Å; G150-H153 PolarHBondContact O-N 3.28Å; H153-Y155 HydrophobicContact CB-CE2 4.06Å; H153-G162 PolarHBondContact ND1-O 3.25Å
154	L	98.7	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.			trans	-102.7	136.8	175.4	-48.1	179.6	0	0	0	108.4	T123 I133 E136 L137 G150 F159 G161 G162	T123-L154 HydrophobicContact CG2-CB 3.77Å; T123-L154 HydrophobicContact CG2-CD1 3.91Å; T123-L154 HydrophobicContact CG2-CG 4.45Å; T123-L154 WeakPolarHBondContact OG1-CD1 3.36Å; I133-L154 HydrophobicContact CG2-CD1 4.15Å; E136-L154 HydrophobicContact CB-CD2 3.89Å; E136-L154 HydrophobicContact CG-CD2 3.37Å; L137-L154 HydrophobicContact CD1-CD1 4.24Å; L137-L154 HydrophobicContact CD1-CD2 4.25Å; G150-L154 VanDerWaalsContact O-CD2 3.24Å; G150-L154 WeakPolarHBondContact O-CD2 3.27Å; L154-F159 WeakPolarHBondContact O-CE1 3.4Å; L154-G161 CarbonylContact O-C 3.5Å; L154-G161 WeakPolarHBondContact O-CA 3.27Å; L154-G162 PolarHBondContact O-N 3.1Å; L154-G162 VanDerWaalsContact O-N 3.16Å
155	Y	98.6	Very high	97.9	Very high	99 Å²	99	47 Å²	47	39%	0.388	25%	0.248	S	C	.	.			trans	-135.6	153.5	179.3	-55.7	-92.8	0	0	0	110.4	T145 H153 Y160	T145-Y155 HydrophobicContact CG2-CD2 3.64Å; T145-Y155 HydrophobicContact CG2-CE2 4.31Å; H153-Y155 HydrophobicContact CB-CE2 4.06Å; Y155-Y160 WeakPolarHBondContact CE1-O 3.24Å
156	A	97.8	Very high	98	Very high	34 Å²	34	48.1 Å²	48.1	28%	0.281	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-151.6	179.9	174.2	0	0	0	0	0	110.6	V128 D158 F159	V128-A156 HydrophobicContact CG2-CB 3.47Å; V128-A156 VanDerWaalsContact CG2-CB 3.47Å; A156-D158 PolarHBondContact O-N 2.99Å; A156-F159 HydrophobicContact CB-CB 3.95Å; A156-F159 HydrophobicContact CB-CD1 4.25Å; A156-F159 PolarHBondContact N-O 2.8Å; A156-F159 VanDerWaalsContact N-O 3.11Å; A156-F159 CarbonylContact O-C 3.52Å; A156-F159 PolarHBondContact O-N 3.25Å
157	K	97.4	Very high	98.2	Very high	169 Å²	169	42.9 Å²	42.9	74%	0.735	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	126.2	173.2	-176.9	-179.1	173.3	-175.7	0	110.2	R126 F159	R126-K157 PolarHBondContact NH2-O 3.28Å; K157-F159 PolarHBondContact O-N 2.88Å
158	D	97.9	Very high	98.3	Very high	33 Å²	33	43.1 Å²	43.1	18%	0.176	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	18.6	-176.7	-47.6	-43.1	0	0	0	113.5	D111 T112 I113 A156	D111-D158 WeakPolarHBondContact O-CB 3.17Å; T112-D158 CarbonylContact C-O 3.56Å; T112-D158 VanDerWaalsContact CA-O 3.22Å; T112-D158 WeakPolarHBondContact CA-O 3.37Å; T112-D158 HydrophobicContact CG2-CB 3.95Å; I113-D158 PolarHBondContact N-O 2.99Å; A156-D158 PolarHBondContact O-N 2.99Å
159	F	98.8	Very high	98.5	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.013	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	100.6	170.6	179.1	-123.6	0	0	0	108.7	I113 T115 C119 F122 T123 R126 L154 A156 K157 G161	I113-F159 HydrophobicContact CB-CD2 4.01Å; I113-F159 HydrophobicContact CG2-CD2 3.98Å; I113-F159 HydrophobicContact CG2-CE2 4.05Å; I113-F159 CarbonylContact O-C 3.52Å; I113-F159 WeakPolarHBondContact O-CA 3.47Å; T115-F159 HydrophobicContact CG2-CE2 4.03Å; T115-F159 HydrophobicContact CG2-CZ 4.22Å; C119-F159 HydrophobicContact CB-CZ 4.11Å; F122-F159 HydrophobicContact CB-CE2 3.86Å; F122-F159 HydrophobicContact CB-CZ 4.11Å; T123-F159 HydrophobicContact CG2-CE1 4.29Å; T123-F159 VanDerWaalsContact OG1-CE1 3.23Å; T123-F159 WeakPolarHBondContact OG1-CE1 3.17Å; R126-F159 HydrophobicContact CB-CB 3.84Å; R126-F159 HydrophobicContact CB-CG 4.11Å; R126-F159 HydrophobicContact CG-CB 3.78Å; R126-F159 HydrophobicContact CG-CD2 3.97Å; R126-F159 HydrophobicContact CG-CG 3.92Å; L154-F159 WeakPolarHBondContact O-CE1 3.4Å; A156-F159 HydrophobicContact CB-CB 3.95Å; A156-F159 HydrophobicContact CB-CD1 4.25Å; A156-F159 PolarHBondContact N-O 2.8Å; A156-F159 VanDerWaalsContact N-O 3.11Å; A156-F159 CarbonylContact O-C 3.52Å; A156-F159 PolarHBondContact O-N 3.25Å; K157-F159 PolarHBondContact O-N 2.88Å; F159-G161 PolarHBondContact O-N 2.97Å; F159-G161 VanDerWaalsContact O-N 3.13Å
160	Y	98.7	Very high	98.5	Very high	77 Å²	77	37.6 Å²	37.6	30%	0.302	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	15.7	-176.5	-62.1	-99.9	0	0	0	112.4	T112 I113 Y155 I176	T112-Y160 HydrophobicContact CG2-CD2 4.36Å; T112-Y160 HydrophobicContact CG2-CE2 3.51Å; I113-Y160 PolarHBondContact O-N 3.22Å; Y155-Y160 WeakPolarHBondContact CE1-O 3.24Å; Y160-I176 HydrophobicContact CD1-CD1 3.7Å; Y160-I176 HydrophobicContact CD1-CG1 4.18Å; Y160-I176 HydrophobicContact CD2-CD1 3.54Å; Y160-I176 HydrophobicContact CD2-CG1 4.38Å; Y160-I176 HydrophobicContact CE1-CD1 4.13Å; Y160-I176 HydrophobicContact CE1-CG1 4.15Å; Y160-I176 HydrophobicContact CE2-CD1 4.02Å; Y160-I176 HydrophobicContact CE2-CG1 4.39Å; Y160-I176 HydrophobicContact CE2-CG2 4.12Å; Y160-I176 HydrophobicContact CG-CD1 3.37Å; Y160-I176 HydrophobicContact CG-CG1 4.28Å
161	G	98.2	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.1	-178.2	150.3	0	0	0	0	0	116.1	T115 L154 F159 N163	T115-G161 PolarHBondContact N-O 3.06Å; L154-G161 CarbonylContact O-C 3.5Å; L154-G161 WeakPolarHBondContact O-CA 3.27Å; F159-G161 PolarHBondContact O-N 2.97Å; F159-G161 VanDerWaalsContact O-N 3.13Å; G161-N163 PolarHBondContact O-ND2 3.26Å; G161-N163 VanDerWaalsContact O-ND2 3.09Å
162	G	98.6	Very high	98.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.9	165.8	0	0	0	0	0	111	A116 M152 H153 L154	A116-G162 VanDerWaalsContact O-CA 3.23Å; A116-G162 WeakPolarHBondContact O-CA 3.34Å; M152-G162 CarbonylContact O-C 3.57Å; M152-G162 WeakPolarHBondContact O-CA 3.47Å; H153-G162 PolarHBondContact ND1-O 3.25Å; L154-G162 PolarHBondContact O-N 3.1Å; L154-G162 VanDerWaalsContact O-N 3.16Å
163	N	98.9	Very high	98.6	Very high	20 Å²	20	41.1 Å²	41.1	11%	0.107	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.5	-176.9	-66.2	-88.4	0	0	0	110.1	I114 T115 A116 Y117 G161 Q169	I114-N163 WeakPolarHBondContact CG1-ND2 3.46Å; T115-N163 WeakPolarHBondContact O-CB 3.46Å; T115-N163 PolarHBondContact O-N 2.82Å; T115-N163 VanDerWaalsContact O-N 3.13Å; T115-N163 PolarHBondContact O-ND2 2.92Å; A116-N163 CarbonylContact C-O 3.56Å; A116-N163 WeakPolarHBondContact CA-O 3.35Å; A116-N163 PolarHBondContact O-N 3.09Å; Y117-N163 PolarHBondContact N-O 2.82Å; G161-N163 PolarHBondContact O-ND2 3.26Å; G161-N163 VanDerWaalsContact O-ND2 3.09Å; N163-Q169 HydrophobicContact CB-CB 3.78Å
164	G	98.3	Very high	98.6	Very high	25 Å²	25	38.6 Å²	38.6	26%	0.258	20%	0.204	S	C	.	.	S	Bend	trans	-78	-23.4	-174.2	0	0	0	0	0	114.6
165	I	98.8	Very high	98.6	Very high	122 Å²	122	40.5 Å²	40.5	63%	0.626	22%	0.223	S	C	*	.	S	Bend	trans	-93	114.8	-177.2	-51.7	-55.4	0	0	0	109.5	G167 A168	I165-G167 PolarHBondContact O-N 3.03Å; I165-G167 VanDerWaalsContact O-N 3.14Å; I165-A168 HydrophobicContact CB-CB 3.78Å; I165-A168 HydrophobicContact CG2-CB 3.9Å; I165-A168 WeakPolarHBondContact O-CB 3.34Å; I165-A168 PolarHBondContact O-N 2.72Å
166	V	98.8	Very high	98.6	Very high	53 Å²	53	36.6 Å²	36.6	32%	0.321	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	117.2	-173.7	-178.8	0	0	0	0	111	Y117 A168 A197 Q200	Y117-V166 HydrophobicContact CE1-CG2 4.15Å; V166-A168 VanDerWaalsContact C-N 3.33Å; V166-A197 HydrophobicContact CG1-CB 3.54Å; V166-Q200 HydrophobicContact CG1-CG 4.16Å; V166-Q200 WeakPolarHBondContact O-CG 3.39Å
167	G	98.7	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-15.4	177.4	0	0	0	0	0	114.5	I165 Q169 V170 P171	I165-G167 PolarHBondContact O-N 3.03Å; I165-G167 VanDerWaalsContact O-N 3.14Å; G167-Q169 VanDerWaalsContact C-OE1 3.32Å; G167-Q169 VanDerWaalsContact N-OE1 3.16Å; G167-Q169 PolarHBondContact O-N 2.91Å; G167-V170 WeakPolarHBondContact O-CB 3.18Å; G167-V170 PolarHBondContact O-N 2.81Å; G167-V170 VanDerWaalsContact O-N 3.07Å; G167-P171 VanDerWaalsContact O-CD 3.26Å; G167-P171 WeakPolarHBondContact O-CD 3.49Å
168	A	98.9	Very high	98.7	Very high	27 Å²	27	30.4 Å²	30.4	22%	0.223	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27	-177.2	0	0	0	0	0	113.1	I165 V166 V170 L172	I165-A168 HydrophobicContact CB-CB 3.78Å; I165-A168 HydrophobicContact CG2-CB 3.9Å; I165-A168 WeakPolarHBondContact O-CB 3.34Å; I165-A168 PolarHBondContact O-N 2.72Å; V166-A168 VanDerWaalsContact C-N 3.33Å; A168-V170 PolarHBondContact O-N 3.38Å; A168-L172 WeakPolarHBondContact O-CG 3.29Å
169	Q	98.9	Very high	98.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.7	-19.5	176.1	78.6	-74.2	2.8	0	0	113.4	I114 N163 G167 L172 G173 L192 Y193	I114-Q169 HydrophobicContact CD1-CB 3.98Å; I114-Q169 HydrophobicContact CG1-CB 4.03Å; N163-Q169 HydrophobicContact CB-CB 3.78Å; G167-Q169 VanDerWaalsContact C-OE1 3.32Å; G167-Q169 VanDerWaalsContact N-OE1 3.16Å; G167-Q169 PolarHBondContact O-N 2.91Å; Q169-L172 PolarHBondContact O-N 2.93Å; Q169-G173 PolarHBondContact O-N 2.74Å; Q169-L192 VanDerWaalsContact CG-O 3.32Å; Q169-L192 WeakPolarHBondContact CG-O 3.39Å; Q169-L192 PolarHBondContact NE2-O 3.44Å; Q169-Y193 VanDerWaalsContact NE2-CB 3.33Å
170	V	99	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.4	-51.7	-175	-177.9	0	0	0	0	111.3	G167 A168 L172 G173 V174 T191 Y193 V203 A206 F219	G167-V170 WeakPolarHBondContact O-CB 3.18Å; G167-V170 PolarHBondContact O-N 2.81Å; G167-V170 VanDerWaalsContact O-N 3.07Å; A168-V170 PolarHBondContact O-N 3.38Å; V170-L172 VanDerWaalsContact C-N 3.27Å; V170-L172 PolarHBondContact O-N 2.72Å; V170-G173 PolarHBondContact O-N 3.21Å; V170-V174 PolarHBondContact O-N 2.76Å; V170-V174 VanDerWaalsContact O-N 3.16Å; V170-T191 HydrophobicContact CB-CG2 4.23Å; V170-T191 HydrophobicContact CG1-CG2 4.11Å; V170-T191 HydrophobicContact CG2-CG2 4.34Å; V170-Y193 HydrophobicContact CG2-CD1 3.7Å; V170-Y193 HydrophobicContact CG2-CG 3.94Å; V170-V203 HydrophobicContact CB-CG2 4.06Å; V170-V203 HydrophobicContact CG1-CG1 4.3Å; V170-V203 HydrophobicContact CG1-CG2 4.27Å; V170-V203 HydrophobicContact CG2-CG2 3.92Å; V170-A206 HydrophobicContact CG1-CB 3.88Å; V170-F219 HydrophobicContact CG1-CD1 3.96Å; V170-F219 HydrophobicContact CG1-CE1 3.7Å
171	P	98.9	Very high	98.6	Very high	46 Å²	46	33.7 Å²	33.7	30%	0.299	19%	0.19	S	C	.	.	H	α-helix	trans	-58.9	-34.9	170.3	-24.9	33.8	0	0	0	114	G167 V174 G175 Q202 A206	G167-P171 VanDerWaalsContact O-CD 3.26Å; G167-P171 WeakPolarHBondContact O-CD 3.49Å; P171-V174 WeakPolarHBondContact O-CB 2.88Å; P171-V174 PolarHBondContact O-N 3.11Å; P171-G175 PolarHBondContact O-N 3.31Å; P171-Q202 HydrophobicContact CG-CB 3.99Å; P171-Q202 HydrophobicContact CG-CG 4.2Å; P171-A206 HydrophobicContact CG-CB 4.28Å
172	L	98.9	Very high	98.6	Very high	93 Å²	93	41.7 Å²	41.7	49%	0.487	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-42.9	176.3	-64.2	-179.4	0	0	0	111.7	I114 A168 Q169 V170 V174 G175 I176	I114-L172 HydrophobicContact CD1-CB 3.63Å; I114-L172 HydrophobicContact CD1-CD1 4.21Å; A168-L172 WeakPolarHBondContact O-CG 3.29Å; Q169-L172 PolarHBondContact O-N 2.93Å; V170-L172 VanDerWaalsContact C-N 3.27Å; V170-L172 PolarHBondContact O-N 2.72Å; L172-V174 VanDerWaalsContact C-N 3.29Å; L172-V174 PolarHBondContact O-N 2.95Å; L172-G175 WeakPolarHBondContact O-CA 3.43Å; L172-G175 PolarHBondContact O-N 2.75Å; L172-G175 VanDerWaalsContact O-N 3.1Å; L172-I176 WeakPolarHBondContact O-CG1 3.19Å; L172-I176 PolarHBondContact O-N 3.13Å
173	G	98.9	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-38.3	173.4	0	0	0	0	0	113.6	Q169 V170 I176 A177 S189 T191	Q169-G173 PolarHBondContact O-N 2.74Å; V170-G173 PolarHBondContact O-N 3.21Å; G173-I176 PolarHBondContact O-N 3.11Å; G173-A177 PolarHBondContact O-N 3.05Å; G173-A177 VanDerWaalsContact O-N 3.13Å; G173-S189 WeakPolarHBondContact O-CB 3.49Å; G173-S189 PolarHBondContact O-OG 3.13Å; G173-T191 VanDerWaalsContact CA-OG1 3.27Å; G173-T191 WeakPolarHBondContact CA-OG1 3.42Å
174	V	98.9	Very high	98.5	Very high	10 Å²	10	51 Å²	51	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-42.6	171.8	176.6	0	0	0	0	111.5	V170 P171 L172 I176 A177 L178 A206 I209 A210 L215 V217 F219	V170-V174 PolarHBondContact O-N 2.76Å; V170-V174 VanDerWaalsContact O-N 3.16Å; P171-V174 WeakPolarHBondContact O-CB 2.88Å; P171-V174 PolarHBondContact O-N 3.11Å; L172-V174 VanDerWaalsContact C-N 3.29Å; L172-V174 PolarHBondContact O-N 2.95Å; V174-I176 VanDerWaalsContact C-N 3.32Å; V174-I176 PolarHBondContact O-N 2.93Å; V174-A177 PolarHBondContact O-N 3.33Å; V174-L178 PolarHBondContact O-N 3.29Å; V174-A206 HydrophobicContact CG2-CB 3.83Å; V174-I209 HydrophobicContact CG1-CG2 4.29Å; V174-A210 HydrophobicContact CG1-CB 4.19Å; V174-A210 HydrophobicContact CG2-CB 4.1Å; V174-L215 HydrophobicContact CG1-CD1 3.65Å; V174-V217 HydrophobicContact CG2-CG2 4.33Å; V174-F219 HydrophobicContact CG2-CE1 3.69Å; V174-F219 HydrophobicContact CG2-CZ 3.55Å
175	G	98.8	Very high	98.4	Very high	39 Å²	39	52.1 Å²	52.1	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-38.2	174.8	0	0	0	0	0	113.3	P171 L172 L178 R179	P171-G175 PolarHBondContact O-N 3.31Å; L172-G175 WeakPolarHBondContact O-CA 3.43Å; L172-G175 PolarHBondContact O-N 2.75Å; L172-G175 VanDerWaalsContact O-N 3.1Å; G175-L178 WeakPolarHBondContact O-CB 3.42Å; G175-L178 PolarHBondContact O-N 3.06Å; G175-R179 PolarHBondContact O-N 3.19Å
176	I	98.8	Very high	98.3	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.092	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-45.5	175.3	-66.1	157.6	0	0	0	110.7	T112 I114 Y160 L172 G173 V174 L178 R179 M180	T112-I176 HydrophobicContact CG2-CG2 4.06Å; T112-I176 WeakPolarHBondContact OG1-CG2 3.15Å; I114-I176 HydrophobicContact CD1-CD1 4.28Å; Y160-I176 HydrophobicContact CD1-CD1 3.7Å; Y160-I176 HydrophobicContact CD1-CG1 4.18Å; Y160-I176 HydrophobicContact CD2-CD1 3.54Å; Y160-I176 HydrophobicContact CD2-CG1 4.38Å; Y160-I176 HydrophobicContact CE1-CD1 4.13Å; Y160-I176 HydrophobicContact CE1-CG1 4.15Å; Y160-I176 HydrophobicContact CE2-CD1 4.02Å; Y160-I176 HydrophobicContact CE2-CG1 4.39Å; Y160-I176 HydrophobicContact CE2-CG2 4.12Å; Y160-I176 HydrophobicContact CG-CD1 3.37Å; Y160-I176 HydrophobicContact CG-CG1 4.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.19Å; L172-I176 PolarHBondContact O-N 3.13Å; G173-I176 PolarHBondContact O-N 3.11Å; V174-I176 VanDerWaalsContact C-N 3.32Å; V174-I176 PolarHBondContact O-N 2.93Å; I176-L178 VanDerWaalsContact C-N 3.34Å; I176-L178 PolarHBondContact O-N 2.87Å; I176-R179 WeakPolarHBondContact O-CB 3.47Å; I176-R179 PolarHBondContact O-N 3.04Å; I176-M180 HydrophobicContact CG2-CE 3.96Å; I176-M180 PolarHBondContact O-N 3Å
177	A	98.8	Very high	98.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-35.1	175.8	0	0	0	0	0	113.2	G173 V174 R179 M180 K181 L215 P216 V217	G173-A177 PolarHBondContact O-N 3.05Å; G173-A177 VanDerWaalsContact O-N 3.13Å; V174-A177 PolarHBondContact O-N 3.33Å; A177-R179 VanDerWaalsContact C-N 3.29Å; A177-R179 PolarHBondContact O-N 3.18Å; A177-M180 PolarHBondContact O-N 3.34Å; A177-K181 PolarHBondContact O-N 2.74Å; A177-L215 HydrophobicContact CB-CB 4.21Å; A177-P216 HydrophobicContact CB-CG 4.13Å; A177-V217 HydrophobicContact CB-CB 4.35Å; A177-V217 HydrophobicContact CB-CG2 3.14Å
178	L	98.8	Very high	98.3	Very high	72 Å²	72	51.7 Å²	51.7	38%	0.377	27%	0.268	S	S	.	.	H	α-helix	trans	-58.9	-44.1	172.2	177.5	64.1	0	0	0	110.6	V174 G175 I176 K181 H182 W213 L215	V174-L178 PolarHBondContact O-N 3.29Å; G175-L178 WeakPolarHBondContact O-CB 3.42Å; G175-L178 PolarHBondContact O-N 3.06Å; I176-L178 VanDerWaalsContact C-N 3.34Å; I176-L178 PolarHBondContact O-N 2.87Å; L178-K181 PolarHBondContact O-N 3.31Å; L178-H182 VanDerWaalsContact O-CB 3.26Å; L178-H182 WeakPolarHBondContact O-CB 3.38Å; L178-H182 PolarHBondContact O-N 3.14Å; L178-W213 HydrophobicContact CD1-CE3 4.06Å; L178-W213 HydrophobicContact CD1-CZ3 4.38Å; L178-W213 HydrophobicContact CD2-CZ3 4.04Å; L178-L215 HydrophobicContact CB-CD1 4.03Å; L178-L215 HydrophobicContact CB-CD2 4.46Å; L178-L215 HydrophobicContact CD1-CD2 4.01Å
179	R	98.4	Very high	98.3	Very high	91 Å²	91	50.4 Å²	50.4	34%	0.343	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-43.6	175.2	170.7	-88.8	-134.6	-159.8	7.1	112.2	G175 I176 A177 H182 R183 E185	G175-R179 PolarHBondContact O-N 3.19Å; I176-R179 WeakPolarHBondContact O-CB 3.47Å; I176-R179 PolarHBondContact O-N 3.04Å; A177-R179 VanDerWaalsContact C-N 3.29Å; A177-R179 PolarHBondContact O-N 3.18Å; R179-H182 PolarHBondContact O-N 3.43Å; R179-R183 WeakPolarHBondContact O-CB 3.39Å; R179-R183 WeakPolarHBondContact O-CG 3.3Å; R179-R183 PolarHBondContact O-N 3.33Å; R179-E185 IonicContact CZ-OE2 2.74Å; R179-E185 VanDerWaalsContact NH1-CD 3.3Å; R179-E185 IonicContact NH1-OE1 3.8Å; R179-E185 PolarHBondContact NH1-OE1 3.43Å; R179-E185 IonicContact NH1-OE2 2.76Å; R179-E185 PolarHBondContact NH1-OE2 3.39Å
180	M	97.8	Very high	98.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-51	176.5	-67.7	167.6	171.1	0	0	111	T112 I176 A177 H182 R183 G184 E185 F187 V188 P216	T112-M180 HydrophobicContact CG2-CE 3.23Å; T112-M180 VanDerWaalsContact OG1-CE 3.29Å; T112-M180 WeakPolarHBondContact OG1-CE 3.48Å; I176-M180 HydrophobicContact CG2-CE 3.96Å; I176-M180 PolarHBondContact O-N 3Å; A177-M180 PolarHBondContact O-N 3.34Å; M180-H182 PolarHBondContact O-N 3.36Å; M180-R183 CarbonylContact O-C 3.59Å; M180-R183 PolarHBondContact O-N 2.83Å; M180-R183 VanDerWaalsContact O-N 3.17Å; M180-G184 PolarHBondContact O-N 2.96Å; M180-G184 VanDerWaalsContact O-N 3.13Å; M180-E185 HydrophobicContact CB-CB 4.26Å; M180-E185 PolarHBondContact O-N 3.49Å; M180-F187 HydrophobicContact CE-CB 3.95Å; M180-F187 HydrophobicContact CG-CB 4.45Å; M180-F187 HydrophobicContact SD-CB 3.96Å; M180-V188 WeakPolarHBondContact CE-O 3.45Å; M180-P216 HydrophobicContact CB-CG 4.44Å
181	K	97.4	Very high	98.3	Very high	90 Å²	90	50.4 Å²	50.4	39%	0.391	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-45.2	178.7	-173.8	172	-172.5	164.3	0	111.9	A177 L178 R183 G184 W213 N214 L215	A177-K181 PolarHBondContact O-N 2.74Å; L178-K181 PolarHBondContact O-N 3.31Å; K181-R183 PolarHBondContact O-N 3.08Å; K181-G184 PolarHBondContact O-N 3.21Å; K181-G184 VanDerWaalsContact O-N 3.11Å; K181-W213 PolarHBondContact NZ-O 3.42Å; K181-N214 PolarHBondContact NZ-O 3.29Å; K181-L215 HydrophobicContact CB-CD2 4.28Å; K181-L215 HydrophobicContact CD-CD2 3.64Å
182	H	97.7	Very high	98.3	Very high	169 Å²	169	48.2 Å²	48.2	78%	0.782	24%	0.243	S	C	*	.	H	α-helix	trans	-61.7	-32.8	179.1	-174	73.7	0	0	0	112.6	L178 R179 M180	L178-H182 VanDerWaalsContact O-CB 3.26Å; L178-H182 WeakPolarHBondContact O-CB 3.38Å; L178-H182 PolarHBondContact O-N 3.14Å; R179-H182 PolarHBondContact O-N 3.43Å; M180-H182 PolarHBondContact O-N 3.36Å
183	R	97.8	Very high	98.3	Very high	153 Å²	153	44 Å²	44	58%	0.577	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-0	177.5	-69.1	-177.4	175.4	-175.5	-3.5	114.2	R179 M180 K181 E185	R179-R183 WeakPolarHBondContact O-CB 3.39Å; R179-R183 WeakPolarHBondContact O-CG 3.3Å; R179-R183 PolarHBondContact O-N 3.33Å; M180-R183 CarbonylContact O-C 3.59Å; M180-R183 PolarHBondContact O-N 2.83Å; M180-R183 VanDerWaalsContact O-N 3.17Å; K181-R183 PolarHBondContact O-N 3.08Å; R183-E185 HydrophobicContact CB-CG 3.84Å; R183-E185 WeakPolarHBondContact CD-OE1 3.4Å; R183-E185 IonicContact NH1-OE1 2.81Å; R183-E185 PolarHBondContact O-N 2.86Å
184	G	96.5	Very high	98.3	Very high	61 Å²	61	45 Å²	45	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	20.8	-174.5	0	0	0	0	0	113.6	M180 K181	M180-G184 PolarHBondContact O-N 2.96Å; M180-G184 VanDerWaalsContact O-N 3.13Å; K181-G184 PolarHBondContact O-N 3.21Å; K181-G184 VanDerWaalsContact O-N 3.11Å
185	E	96.8	Very high	98.3	Very high	50 Å²	50	44.6 Å²	44.6	23%	0.234	23%	0.229	C	C	.	.			trans	-77.5	127.1	178.4	-68	167.7	-176.6	0	0	109.5	R179 M180 R183 F187	R179-E185 IonicContact CZ-OE2 2.74Å; R179-E185 VanDerWaalsContact NH1-CD 3.3Å; R179-E185 IonicContact NH1-OE1 3.8Å; R179-E185 PolarHBondContact NH1-OE1 3.43Å; R179-E185 IonicContact NH1-OE2 2.76Å; R179-E185 PolarHBondContact NH1-OE2 3.39Å; M180-E185 HydrophobicContact CB-CB 4.26Å; M180-E185 PolarHBondContact O-N 3.49Å; R183-E185 HydrophobicContact CB-CG 3.84Å; R183-E185 WeakPolarHBondContact CD-OE1 3.4Å; R183-E185 IonicContact NH1-OE1 2.81Å; R183-E185 PolarHBondContact O-N 2.86Å; E185-F187 HydrophobicContact CB-CD2 3.76Å; E185-F187 HydrophobicContact CB-CE2 4.22Å; E185-F187 HydrophobicContact CG-CD2 4.35Å; E185-F187 HydrophobicContact CG-CE2 4.45Å; E185-F187 PolarHBondContact O-N 2.84Å; E185-F187 VanDerWaalsContact O-N 3.1Å
186	K	96.4	Very high	98.3	Very high	108 Å²	108	44.1 Å²	44.1	47%	0.47	22%	0.223	S	C	.	.			trans	-88.4	51.2	179	-67.7	-65.9	-173.9	173.3	0	112	Q108 D275	Q108-K186 PolarHBondContact NE2-O 2.97Å; K186-D275 IonicContact NZ-OD1 2.94Å; K186-D275 PolarHBondContact NZ-OD1 3.2Å; K186-D275 IonicContact NZ-OD2 2.74Å; K186-D275 PolarHBondContact NZ-OD2 3.09Å
187	F	98.3	Very high	98.3	Very high	58 Å²	58	43.6 Å²	43.6	25%	0.254	22%	0.222	S	C	.	.			trans	-113.4	168.3	176.4	-58.5	-51.5	0	0	0	111.2	Q108 P109 G110 D111 M180 E185	Q108-F187 HydrophobicContact CG-CD1 4.28Å; Q108-F187 HydrophobicContact CG-CE1 4.41Å; P109-F187 WeakPolarHBondContact O-CE1 3.39Å; G110-F187 VanDerWaalsContact C-CG 3.46Å; G110-F187 WeakPolarHBondContact O-CB 3.45Å; G110-F187 WeakPolarHBondContact O-CG 3.14Å; D111-F187 VanDerWaalsContact OD1-CA 3.32Å; D111-F187 WeakPolarHBondContact OD1-CA 3.45Å; M180-F187 HydrophobicContact CE-CB 3.95Å; M180-F187 HydrophobicContact CG-CB 4.45Å; M180-F187 HydrophobicContact SD-CB 3.96Å; E185-F187 HydrophobicContact CB-CD2 3.76Å; E185-F187 HydrophobicContact CB-CE2 4.22Å; E185-F187 HydrophobicContact CG-CD2 4.35Å; E185-F187 HydrophobicContact CG-CE2 4.45Å; E185-F187 PolarHBondContact O-N 2.84Å; E185-F187 VanDerWaalsContact O-N 3.1Å
188	V	98.8	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.			trans	-120.8	148.1	177.8	-56.5	0	0	0	0	112.1	L107 D111 T112 M180 V190 P216 I218 A269 C272 R273	L107-V188 HydrophobicContact CD2-CG2 4.25Å; D111-V188 WeakPolarHBondContact CA-O 3.37Å; D111-V188 HydrophobicContact CB-CG2 4.11Å; D111-V188 PolarHBondContact OD1-N 2.94Å; T112-V188 PolarHBondContact N-O 3.2Å; M180-V188 WeakPolarHBondContact CE-O 3.45Å; V188-V190 HydrophobicContact CG2-CG2 4.46Å; V188-P216 WeakPolarHBondContact CA-O 3.29Å; V188-P216 HydrophobicContact CG1-CB 4.48Å; V188-I218 HydrophobicContact CB-CD1 4.31Å; V188-I218 HydrophobicContact CB-CG1 4.47Å; V188-I218 HydrophobicContact CG2-CD1 3.91Å; V188-A269 HydrophobicContact CG1-CB 4.38Å; V188-A269 HydrophobicContact CG2-CB 4.14Å; V188-C272 HydrophobicContact CB-CB 4.44Å; V188-C272 HydrophobicContact CG1-CB 3.54Å; V188-R273 HydrophobicContact CG1-CG 3.89Å
189	S	98.9	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107.4	170.1	-176	0	0	0	0	110.3	T112 G173 T191 P216 V217 I218	T112-S189 WeakPolarHBondContact OG1-CA 3.22Å; G173-S189 WeakPolarHBondContact O-CB 3.49Å; G173-S189 PolarHBondContact O-OG 3.13Å; S189-T191 PolarHBondContact O-N 3.27Å; S189-T191 PolarHBondContact OG-OG1 3.04Å; S189-P216 PolarHBondContact N-O 2.63Å; S189-V217 WeakPolarHBondContact O-CA 3.47Å; S189-I218 PolarHBondContact O-N 3.16Å
190	V	99	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	113.3	170.8	-172.2	0	0	0	0	109	I103 L107 T112 I113 I114 V188 L192 I218 I220	I103-V190 HydrophobicContact CG2-CG1 4.2Å; L107-V190 HydrophobicContact CD1-CG2 3.92Å; L107-V190 HydrophobicContact CD2-CG2 3.76Å; L107-V190 HydrophobicContact CG-CG2 4.46Å; T112-V190 PolarHBondContact O-N 3.38Å; I113-V190 WeakPolarHBondContact CA-O 3.24Å; I113-V190 HydrophobicContact CG1-CB 4.21Å; I114-V190 PolarHBondContact N-O 3.33Å; V188-V190 HydrophobicContact CG2-CG2 4.46Å; V190-L192 HydrophobicContact CG1-CD1 3.76Å; V190-L192 HydrophobicContact CG1-CG 4.28Å; V190-I218 WeakPolarHBondContact CA-O 3.31Å; V190-I218 HydrophobicContact CG2-CD1 4.3Å; V190-I220 HydrophobicContact CG1-CD1 3.49Å; V190-I220 VanDerWaalsContact CG1-CD1 3.49Å; V190-I220 HydrophobicContact CG1-CG1 4.06Å
191	T	99	Very high	98.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	101.7	-170.9	-58.1	0	0	0	0	110.1	I114 V170 G173 S189 I218 F219 I220	I114-T191 HydrophobicContact CG2-CG2 3.98Å; V170-T191 HydrophobicContact CB-CG2 4.23Å; V170-T191 HydrophobicContact CG1-CG2 4.11Å; V170-T191 HydrophobicContact CG2-CG2 4.34Å; G173-T191 VanDerWaalsContact CA-OG1 3.27Å; G173-T191 WeakPolarHBondContact CA-OG1 3.42Å; S189-T191 PolarHBondContact O-N 3.27Å; S189-T191 PolarHBondContact OG-OG1 3.04Å; T191-I218 PolarHBondContact N-O 2.74Å; T191-F219 HydrophobicContact CG2-CD1 4.2Å; T191-F219 HydrophobicContact CG2-CE1 4.41Å; T191-F219 WeakPolarHBondContact O-CA 3.4Å; T191-I220 PolarHBondContact O-N 2.96Å
192	L	99	Very high	98.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	146.7	-172.3	-61.7	100.6	0	0	0	113.2	I103 I113 I114 F122 Q169 V190 I220 E222	I103-L192 HydrophobicContact CD1-CD2 3.89Å; I113-L192 HydrophobicContact CG2-CD1 3.57Å; I114-L192 WeakPolarHBondContact O-CD1 3.45Å; I114-L192 PolarHBondContact O-N 2.95Å; F122-L192 HydrophobicContact CE1-CD1 4.32Å; F122-L192 HydrophobicContact CE1-CD2 4.02Å; F122-L192 HydrophobicContact CE2-CD2 3.75Å; F122-L192 HydrophobicContact CZ-CD1 4.26Å; F122-L192 HydrophobicContact CZ-CD2 3.27Å; F122-L192 HydrophobicContact CZ-CG 4.4Å; Q169-L192 VanDerWaalsContact CG-O 3.32Å; Q169-L192 WeakPolarHBondContact CG-O 3.39Å; Q169-L192 PolarHBondContact NE2-O 3.44Å; V190-L192 HydrophobicContact CG1-CD1 3.76Å; V190-L192 HydrophobicContact CG1-CG 4.28Å; L192-I220 CarbonylContact C-O 3.39Å; L192-I220 VanDerWaalsContact CA-O 3.31Å; L192-I220 WeakPolarHBondContact CA-O 3.39Å; L192-I220 HydrophobicContact CD2-CB 4.27Å; L192-I220 HydrophobicContact CD2-CG2 4.33Å; L192-I220 HydrophobicContact CG-CB 4.11Å; L192-E222 HydrophobicContact CD2-CG 4.01Å
193	Y	98.9	Very high	98.4	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	157.6	172.3	61.1	-86.8	0	0	0	110.4	Q169 V170 A197 A198 F207 F219 I220 C221 E222 L280	Q169-Y193 VanDerWaalsContact NE2-CB 3.33Å; V170-Y193 HydrophobicContact CG2-CD1 3.7Å; V170-Y193 HydrophobicContact CG2-CG 3.94Å; Y193-A197 HydrophobicContact CD2-CB 4.32Å; Y193-A198 HydrophobicContact CD2-CB 4.15Å; Y193-A198 HydrophobicContact CE2-CB 3.72Å; Y193-F207 HydrophobicContact CE1-CZ 4.44Å; Y193-F207 WeakPolarHBondContact OH-CZ 3.28Å; Y193-F219 HydrophobicContact CE1-CB 4.23Å; Y193-I220 PolarHBondContact N-O 3.46Å; Y193-C221 HydrophobicContact CD2-CB 4.34Å; Y193-C221 HydrophobicContact CE2-CB 3.63Å; Y193-C221 CarbonylContact O-C 3.55Å; Y193-C221 VanDerWaalsContact O-CA 3.27Å; Y193-C221 WeakPolarHBondContact O-CA 3.23Å; Y193-E222 PolarHBondContact O-N 3.41Å; Y193-L280 VanDerWaalsContact OH-CD1 3.26Å; Y193-L280 WeakPolarHBondContact OH-CD1 3.24Å
194	G	98.9	Very high	98.5	Very high	22 Å²	22	31.1 Å²	31.1	23%	0.227	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	168.8	179.1	0	0	0	0	0	113.6	G196 A197 A198 E222	G194-G196 VanDerWaalsContact C-N 3.29Å; G194-G196 PolarHBondContact O-N 3.44Å; G194-A197 WeakPolarHBondContact O-CA 3.36Å; G194-A197 VanDerWaalsContact O-CB 3.32Å; G194-A197 WeakPolarHBondContact O-CB 3.33Å; G194-A197 PolarHBondContact O-N 3.17Å; G194-A198 PolarHBondContact O-N 2.81Å; G194-A198 VanDerWaalsContact O-N 3.1Å; G194-E222 WeakPolarHBondContact CA-O 3.36Å
195	D	98.8	Very high	98.6	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-40.9	176.5	54.8	-90.8	0	0	0	113.6	A197 A198 E222 N223 N224 Y226 G227 V232 Y241	D195-A197 VanDerWaalsContact C-N 3.31Å; D195-A197 PolarHBondContact O-N 3.34Å; D195-A198 VanDerWaalsContact O-CB 3.27Å; D195-A198 WeakPolarHBondContact O-CB 3.49Å; D195-A198 PolarHBondContact O-N 3.06Å; D195-E222 PolarHBondContact N-O 3.16Å; D195-N223 HydrophobicContact CB-CB 4.42Å; D195-N224 PolarHBondContact OD1-N 3.18Å; D195-N224 VanDerWaalsContact OD1-N 3.16Å; D195-N224 PolarHBondContact OD1-OD1 2.87Å; D195-Y226 VanDerWaalsContact OD2-C 3.26Å; D195-G227 PolarHBondContact OD2-N 2.97Å; D195-V232 HydrophobicContact CB-CG1 3.78Å; D195-Y241 HydrophobicContact CB-CE1 4.28Å; D195-Y241 HydrophobicContact CB-CE2 3.82Å
196	G	98.5	Very high	98.7	Very high	28 Å²	28	32.3 Å²	32.3	29%	0.289	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.7	173.6	0	0	0	0	0	113.9	G194 A198	G194-G196 VanDerWaalsContact C-N 3.29Å; G194-G196 PolarHBondContact O-N 3.44Å; G196-A198 VanDerWaalsContact C-N 3.31Å
197	A	98.8	Very high	98.8	Very high	7 Å²	7	27.3 Å²	27.3	6%	0.058	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-76.1	-21.1	177	0	0	0	0	0	112.5	V166 Y193 G194 D195 N199 Q200	V166-A197 HydrophobicContact CG1-CB 3.54Å; Y193-A197 HydrophobicContact CD2-CB 4.32Å; G194-A197 WeakPolarHBondContact O-CA 3.36Å; G194-A197 VanDerWaalsContact O-CB 3.32Å; G194-A197 WeakPolarHBondContact O-CB 3.33Å; G194-A197 PolarHBondContact O-N 3.17Å; D195-A197 VanDerWaalsContact C-N 3.31Å; D195-A197 PolarHBondContact O-N 3.34Å; A197-N199 PolarHBondContact O-N 3.07Å; A197-Q200 WeakPolarHBondContact O-CB 3.44Å; A197-Q200 WeakPolarHBondContact O-CG 3.13Å; A197-Q200 PolarHBondContact O-N 3.48Å
198	A	98.8	Very high	98.8	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.025	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-63.9	-7	-179.3	0	0	0	0	0	114.4	Y193 G194 D195 G196 F204 Y241	Y193-A198 HydrophobicContact CD2-CB 4.15Å; Y193-A198 HydrophobicContact CE2-CB 3.72Å; G194-A198 PolarHBondContact O-N 2.81Å; G194-A198 VanDerWaalsContact O-N 3.1Å; D195-A198 VanDerWaalsContact O-CB 3.27Å; D195-A198 WeakPolarHBondContact O-CB 3.49Å; D195-A198 PolarHBondContact O-N 3.06Å; G196-A198 VanDerWaalsContact C-N 3.31Å; A198-F204 WeakPolarHBondContact O-CE2 3.43Å; A198-Y241 HydrophobicContact CB-CD1 3.48Å; A198-Y241 VanDerWaalsContact CB-CD1 3.48Å; A198-Y241 HydrophobicContact CB-CE1 3.64Å
199	N	98.7	Very high	98.8	Very high	59 Å²	59	31.3 Å²	31.3	32%	0.316	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-105.6	5.9	175.5	-60.4	-46.5	0	0	0	113.3	A197 S235 S236 R244	A197-N199 PolarHBondContact O-N 3.07Å; N199-S235 PolarHBondContact ND2-O 3.14Å; N199-S235 VanDerWaalsContact ND2-O 3.11Å; N199-S236 PolarHBondContact ND2-OG 2.52Å; N199-R244 PolarHBondContact OD1-NH1 2.85Å; N199-R244 PolarHBondContact OD1-NH2 2.91Å
200	Q	98.9	Very high	98.8	Very high	76 Å²	76	31.3 Å²	31.3	36%	0.355	18%	0.179	S	C	.	.			trans	-73.4	130.7	174.9	-73.7	-70.1	-31.2	0	0	110.8	V166 A197 Q202 V203	V166-Q200 HydrophobicContact CG1-CG 4.16Å; V166-Q200 WeakPolarHBondContact O-CG 3.39Å; A197-Q200 WeakPolarHBondContact O-CB 3.44Å; A197-Q200 WeakPolarHBondContact O-CG 3.13Å; A197-Q200 PolarHBondContact O-N 3.48Å; Q200-Q202 VanDerWaalsContact C-N 3.31Å; Q200-Q202 HydrophobicContact CB-CG 4.31Å; Q200-Q202 PolarHBondContact O-N 2.97Å; Q200-V203 HydrophobicContact CB-CG2 3.92Å; Q200-V203 VanDerWaalsContact O-CB 3.29Å; Q200-V203 WeakPolarHBondContact O-CB 3.38Å; Q200-V203 PolarHBondContact O-N 2.98Å
201	G	98.8	Very high	98.8	Very high	47 Å²	47	34.4 Å²	34.4	49%	0.485	19%	0.193	S	C	.	.	H	α-helix	trans	-55.5	-43.7	-177.5	0	0	0	0	0	113.3	V203 F204 E205	G201-V203 PolarHBondContact O-N 3.19Å; G201-V203 VanDerWaalsContact O-N 3.07Å; G201-F204 PolarHBondContact O-N 3.36Å; G201-E205 PolarHBondContact O-N 3.13Å
202	Q	98.8	Very high	98.8	Very high	54 Å²	54	40.2 Å²	40.2	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-59.8	-20.5	178.3	66.6	-174.8	-45.6	0	0	114.4	P171 Q200 A206	P171-Q202 HydrophobicContact CG-CB 3.99Å; P171-Q202 HydrophobicContact CG-CG 4.2Å; Q200-Q202 VanDerWaalsContact C-N 3.31Å; Q200-Q202 HydrophobicContact CB-CG 4.31Å; Q200-Q202 PolarHBondContact O-N 2.97Å; Q202-A206 VanDerWaalsContact O-CB 3.24Å; Q202-A206 WeakPolarHBondContact O-CB 3.38Å; Q202-A206 PolarHBondContact O-N 3.33Å
203	V	98.9	Very high	98.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-40.6	173.8	174	0	0	0	0	110.4	V170 Q200 G201 A206 F207	V170-V203 HydrophobicContact CB-CG2 4.06Å; V170-V203 HydrophobicContact CG1-CG1 4.3Å; V170-V203 HydrophobicContact CG1-CG2 4.27Å; V170-V203 HydrophobicContact CG2-CG2 3.92Å; Q200-V203 HydrophobicContact CB-CG2 3.92Å; Q200-V203 VanDerWaalsContact O-CB 3.29Å; Q200-V203 WeakPolarHBondContact O-CB 3.38Å; Q200-V203 PolarHBondContact O-N 2.98Å; G201-V203 PolarHBondContact O-N 3.19Å; G201-V203 VanDerWaalsContact O-N 3.07Å; V203-A206 WeakPolarHBondContact O-CB 3.29Å; V203-A206 PolarHBondContact O-N 3Å; V203-F207 HydrophobicContact CG1-CD2 4.35Å; V203-F207 HydrophobicContact CG1-CE1 3.87Å; V203-F207 HydrophobicContact CG1-CE2 3.69Å; V203-F207 HydrophobicContact CG1-CZ 3.4Å; V203-F207 VanDerWaalsContact CG1-CZ 3.4Å; V203-F207 WeakPolarHBondContact O-CD1 3.48Å; V203-F207 VanDerWaalsContact O-CG 3.26Å; V203-F207 WeakPolarHBondContact O-CG 3.3Å; V203-F207 PolarHBondContact O-N 3.49Å
204	F	98.8	Very high	98.7	Very high	76 Å²	76	48.4 Å²	48.4	33%	0.333	26%	0.258	S	S	.	.	H	α-helix	trans	-72.8	-36	177.6	-64.8	-89.6	0	0	0	111.9	A198 G201 A206 F207 N208 R244	A198-F204 WeakPolarHBondContact O-CE2 3.43Å; G201-F204 PolarHBondContact O-N 3.36Å; F204-A206 VanDerWaalsContact C-N 3.33Å; F204-F207 HydrophobicContact CD1-CD2 4.32Å; F204-F207 PolarHBondContact O-N 3.42Å; F204-N208 PolarHBondContact O-N 3.37Å; F204-R244 HydrophobicContact CE1-CB 4.5Å; F204-R244 WeakPolarHBondContact CE1-O 3.26Å
205	E	98.9	Very high	98.7	Very high	131 Å²	131	47.4 Å²	47.4	61%	0.612	25%	0.248	S	C	*	.	H	α-helix	trans	-60.1	-45.3	170.4	-63.5	179.4	172.2	0	0	110.9	G201 N208 I209	G201-E205 PolarHBondContact O-N 3.13Å; E205-N208 PolarHBondContact O-N 3.21Å; E205-I209 WeakPolarHBondContact O-CG1 3.48Å; E205-I209 PolarHBondContact O-N 2.97Å
206	A	98.9	Very high	98.7	Very high	4 Å²	4	48 Å²	48	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-42.1	176.6	0	0	0	0	0	112.4	V170 P171 V174 Q202 V203 F204 I209 A210	V170-A206 HydrophobicContact CG1-CB 3.88Å; P171-A206 HydrophobicContact CG-CB 4.28Å; V174-A206 HydrophobicContact CG2-CB 3.83Å; Q202-A206 VanDerWaalsContact O-CB 3.24Å; Q202-A206 WeakPolarHBondContact O-CB 3.38Å; Q202-A206 PolarHBondContact O-N 3.33Å; V203-A206 WeakPolarHBondContact O-CB 3.29Å; V203-A206 PolarHBondContact O-N 3Å; F204-A206 VanDerWaalsContact C-N 3.33Å; A206-I209 PolarHBondContact O-N 3.28Å; A206-A210 WeakPolarHBondContact O-CB 3.18Å; A206-A210 PolarHBondContact O-N 3.06Å
207	F	98.9	Very high	98.7	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-48.9	173.5	-69.2	-17.1	0	0	0	111.9	Y193 V203 F204 I209 A210 K211 F219 I248 L280	Y193-F207 HydrophobicContact CE1-CZ 4.44Å; Y193-F207 WeakPolarHBondContact OH-CZ 3.28Å; V203-F207 HydrophobicContact CG1-CD2 4.35Å; V203-F207 HydrophobicContact CG1-CE1 3.87Å; V203-F207 HydrophobicContact CG1-CE2 3.69Å; V203-F207 HydrophobicContact CG1-CZ 3.4Å; V203-F207 VanDerWaalsContact CG1-CZ 3.4Å; V203-F207 WeakPolarHBondContact O-CD1 3.48Å; V203-F207 VanDerWaalsContact O-CG 3.26Å; V203-F207 WeakPolarHBondContact O-CG 3.3Å; V203-F207 PolarHBondContact O-N 3.49Å; F204-F207 HydrophobicContact CD1-CD2 4.32Å; F204-F207 PolarHBondContact O-N 3.42Å; F207-I209 PolarHBondContact O-N 3.16Å; F207-A210 PolarHBondContact O-N 3.22Å; F207-K211 WeakPolarHBondContact O-CB 3.35Å; F207-K211 PolarHBondContact O-N 3.17Å; F207-F219 HydrophobicContact CD1-CD1 4.08Å; F207-F219 AromaticContact CD1-CD2 3.82Å; F207-F219 HydrophobicContact CD1-CD2 3.82Å; F207-F219 AromaticContact CD1-CE1 3.93Å; F207-F219 HydrophobicContact CD1-CE1 3.93Å; F207-F219 AromaticContact CD1-CE2 3.66Å; F207-F219 HydrophobicContact CD1-CE2 3.66Å; F207-F219 HydrophobicContact CD1-CG 4.02Å; F207-F219 AromaticContact CD1-CZ 3.71Å; F207-F219 HydrophobicContact CD1-CZ 3.71Å; F207-F219 HydrophobicContact CE1-CB 4.02Å; F207-F219 AromaticContact CE1-CD1 3.69Å; F207-F219 HydrophobicContact CE1-CD1 3.69Å; F207-F219 AromaticContact CE1-CD2 3.82Å; F207-F219 HydrophobicContact CE1-CD2 3.82Å; F207-F219 AromaticContact CE1-CE1 3.99Å; F207-F219 HydrophobicContact CE1-CE1 3.99Å; F207-F219 HydrophobicContact CE1-CE2 4.12Å; F207-F219 AromaticContact CE1-CG 3.59Å; F207-F219 HydrophobicContact CE1-CG 3.59Å; F207-F219 HydrophobicContact CE1-CZ 4.18Å; F207-I248 HydrophobicContact CB-CD1 3.58Å; F207-I248 HydrophobicContact CD1-CD1 3.94Å; F207-I248 HydrophobicContact CG-CD1 3.88Å; F207-L280 HydrophobicContact CE1-CD1 3.76Å; F207-L280 HydrophobicContact CZ-CD1 3.63Å; F207-L280 HydrophobicContact CZ-CD2 4.35Å
208	N	98.9	Very high	98.7	Very high	79 Å²	79	46.3 Å²	46.3	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-57.8	-50.9	-180	-174.6	59.6	0	0	0	111.8	F204 E205 K211 L212 Y247	F204-N208 PolarHBondContact O-N 3.37Å; E205-N208 PolarHBondContact O-N 3.21Å; N208-K211 PolarHBondContact O-N 2.91Å; N208-L212 WeakPolarHBondContact O-CB 3.39Å; N208-L212 PolarHBondContact O-N 2.94Å; N208-Y247 WeakPolarHBondContact CA-OH 3.4Å; N208-Y247 WeakPolarHBondContact CB-OH 3.37Å; N208-Y247 PolarHBondContact N-OH 3.48Å; N208-Y247 PolarHBondContact OD1-OH 3Å
209	I	98.7	Very high	98.7	Very high	63 Å²	63	46.1 Å²	46.1	32%	0.323	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-45.7	-179.2	-67.7	171.5	0	0	0	111.1	V174 E205 A206 F207 K211 L212 W213	V174-I209 HydrophobicContact CG1-CG2 4.29Å; E205-I209 WeakPolarHBondContact O-CG1 3.48Å; E205-I209 PolarHBondContact O-N 2.97Å; A206-I209 PolarHBondContact O-N 3.28Å; F207-I209 PolarHBondContact O-N 3.16Å; I209-K211 VanDerWaalsContact C-N 3.3Å; I209-K211 PolarHBondContact O-N 3.03Å; I209-L212 PolarHBondContact O-N 3.36Å; I209-W213 HydrophobicContact CG2-CD2 3.91Å; I209-W213 HydrophobicContact CG2-CE3 3.38Å; I209-W213 HydrophobicContact CG2-CH2 3.76Å; I209-W213 HydrophobicContact CG2-CZ2 4.25Å; I209-W213 HydrophobicContact CG2-CZ3 3.29Å; I209-W213 PolarHBondContact O-N 3.15Å
210	A	98.8	Very high	98.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-40.1	-180	0	0	0	0	0	112	V174 A206 F207 N214 L215 V217 F219 P278	V174-A210 HydrophobicContact CG1-CB 4.19Å; V174-A210 HydrophobicContact CG2-CB 4.1Å; A206-A210 WeakPolarHBondContact O-CB 3.18Å; A206-A210 PolarHBondContact O-N 3.06Å; F207-A210 PolarHBondContact O-N 3.22Å; A210-N214 WeakPolarHBondContact O-CA 3.43Å; A210-N214 PolarHBondContact O-N 2.97Å; A210-L215 HydrophobicContact CB-CB 4.5Å; A210-L215 PolarHBondContact O-N 2.81Å; A210-V217 HydrophobicContact CB-CG2 4.47Å; A210-F219 HydrophobicContact CB-CE2 3.78Å; A210-F219 HydrophobicContact CB-CZ 3.66Å; A210-P278 HydrophobicContact CB-CB 4.19Å; A210-P278 HydrophobicContact CB-CG 4.08Å; A210-P278 WeakPolarHBondContact O-CD 3.46Å
211	K	98.6	Very high	98.7	Very high	65 Å²	65	39.7 Å²	39.7	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-73.2	-46.2	177.2	-175.2	58.7	174.8	173.6	0	111.9	F207 N208 I209 W213 N214 Y247 I248 P278	F207-K211 WeakPolarHBondContact O-CB 3.35Å; F207-K211 PolarHBondContact O-N 3.17Å; N208-K211 PolarHBondContact O-N 2.91Å; I209-K211 VanDerWaalsContact C-N 3.3Å; I209-K211 PolarHBondContact O-N 3.03Å; K211-W213 PolarHBondContact O-N 3.49Å; K211-N214 PolarHBondContact O-N 2.85Å; K211-Y247 HydrophobicContact CB-CD2 3.89Å; K211-Y247 HydrophobicContact CB-CE2 3.86Å; K211-Y247 HydrophobicContact CG-CD2 3.76Å; K211-Y247 HydrophobicContact CG-CE2 4.23Å; K211-I248 HydrophobicContact CB-CD1 4.39Å; K211-I248 HydrophobicContact CB-CG1 4.04Å; K211-I248 HydrophobicContact CG-CG1 4.47Å; K211-P278 HydrophobicContact CB-CG 4.09Å; K211-P278 HydrophobicContact CD-CG 4.16Å
212	L	98.6	Very high	98.7	Very high	123 Å²	123	38 Å²	38	64%	0.644	18%	0.181	S	C	*	.	H	α-helix	trans	-55.2	-41.3	-180	-179.6	64.9	0	0	0	111.6	N208 I209	N208-L212 WeakPolarHBondContact O-CB 3.39Å; N208-L212 PolarHBondContact O-N 2.94Å; I209-L212 PolarHBondContact O-N 3.36Å
213	W	98.4	Very high	98.8	Very high	125 Å²	125	35.5 Å²	35.5	47%	0.473	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	4.7	178.2	-59.6	-20.1	0	0	0	113.7	L178 K181 I209 K211 L215	L178-W213 HydrophobicContact CD1-CE3 4.06Å; L178-W213 HydrophobicContact CD1-CZ3 4.38Å; L178-W213 HydrophobicContact CD2-CZ3 4.04Å; K181-W213 PolarHBondContact NZ-O 3.42Å; I209-W213 HydrophobicContact CG2-CD2 3.91Å; I209-W213 HydrophobicContact CG2-CE3 3.38Å; I209-W213 HydrophobicContact CG2-CH2 3.76Å; I209-W213 HydrophobicContact CG2-CZ2 4.25Å; I209-W213 HydrophobicContact CG2-CZ3 3.29Å; I209-W213 PolarHBondContact O-N 3.15Å; K211-W213 PolarHBondContact O-N 3.49Å; W213-L215 HydrophobicContact CB-CD2 3.83Å; W213-L215 HydrophobicContact CB-CG 3.92Å; W213-L215 HydrophobicContact CE3-CD1 4.25Å; W213-L215 PolarHBondContact O-N 3.32Å
214	N	97.6	Very high	98.7	Very high	50 Å²	50	36.1 Å²	36.1	27%	0.267	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	55.9	177	-155.2	50.2	0	0	0	111.7	K181 A210 K211 D275 K276 G277	K181-N214 PolarHBondContact NZ-O 3.29Å; A210-N214 WeakPolarHBondContact O-CA 3.43Å; A210-N214 PolarHBondContact O-N 2.97Å; K211-N214 PolarHBondContact O-N 2.85Å; N214-D275 PolarHBondContact ND2-O 3.38Å; N214-K276 PolarHBondContact OD1-O 3.18Å; N214-G277 WeakPolarHBondContact OD1-CA 3.46Å; N214-G277 PolarHBondContact OD1-N 2.99Å
215	L	98.8	Very high	98.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.168	C	C	.	.			trans	-85.1	148.4	-174.1	-60.7	-174.2	0	0	0	112.1	V174 A177 L178 K181 A210 W213 V217 G277 P278	V174-L215 HydrophobicContact CG1-CD1 3.65Å; A177-L215 HydrophobicContact CB-CB 4.21Å; L178-L215 HydrophobicContact CB-CD1 4.03Å; L178-L215 HydrophobicContact CB-CD2 4.46Å; L178-L215 HydrophobicContact CD1-CD2 4.01Å; K181-L215 HydrophobicContact CB-CD2 4.28Å; K181-L215 HydrophobicContact CD-CD2 3.64Å; A210-L215 HydrophobicContact CB-CB 4.5Å; A210-L215 PolarHBondContact O-N 2.81Å; W213-L215 HydrophobicContact CB-CD2 3.83Å; W213-L215 HydrophobicContact CB-CG 3.92Å; W213-L215 HydrophobicContact CE3-CD1 4.25Å; W213-L215 PolarHBondContact O-N 3.32Å; L215-V217 HydrophobicContact CB-CG2 4.06Å; L215-V217 PolarHBondContact O-N 2.65Å; L215-G277 CarbonylContact O-C 3.53Å; L215-G277 WeakPolarHBondContact O-CA 3.44Å; L215-P278 VanDerWaalsContact O-N 3.15Å
216	P	98.7	Very high	98.7	Very high	13 Å²	13	29.9 Å²	29.9	8%	0.084	14%	0.143	C	C	.	.			trans	-78.9	65.2	179.5	34.2	-37.4	0	0	0	112	A177 M180 V188 S189 C272	A177-P216 HydrophobicContact CB-CG 4.13Å; M180-P216 HydrophobicContact CB-CG 4.44Å; V188-P216 WeakPolarHBondContact CA-O 3.29Å; V188-P216 HydrophobicContact CG1-CB 4.48Å; S189-P216 PolarHBondContact N-O 2.63Å; P216-C272 HydrophobicContact CB-CB 4.01Å
217	V	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.3	179.2	-173.9	0	0	0	0	110.4	V174 A177 S189 A210 L215 F219 P278 I279	V174-V217 HydrophobicContact CG2-CG2 4.33Å; A177-V217 HydrophobicContact CB-CB 4.35Å; A177-V217 HydrophobicContact CB-CG2 3.14Å; S189-V217 WeakPolarHBondContact O-CA 3.47Å; A210-V217 HydrophobicContact CB-CG2 4.47Å; L215-V217 HydrophobicContact CB-CG2 4.06Å; L215-V217 PolarHBondContact O-N 2.65Å; V217-F219 HydrophobicContact CB-CD2 4.46Å; V217-F219 HydrophobicContact CB-CE2 4.09Å; V217-F219 HydrophobicContact CB-CZ 4.16Å; V217-F219 HydrophobicContact CG1-CD1 3.77Å; V217-F219 HydrophobicContact CG1-CD2 4Å; V217-F219 HydrophobicContact CG1-CE1 3.61Å; V217-F219 HydrophobicContact CG1-CE2 3.85Å; V217-F219 HydrophobicContact CG1-CG 3.97Å; V217-F219 HydrophobicContact CG1-CZ 3.66Å; V217-P278 HydrophobicContact CB-CB 4.41Å; V217-P278 WeakPolarHBondContact O-CA 3.49Å; V217-P278 WeakPolarHBondContact O-CB 3.38Å; V217-I279 PolarHBondContact O-N 2.79Å
218	I	99	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.5	165.8	-51.5	173.2	0	0	0	107	V188 S189 V190 T191 I220 A268 A269 I279 L281	V188-I218 HydrophobicContact CB-CD1 4.31Å; V188-I218 HydrophobicContact CB-CG1 4.47Å; V188-I218 HydrophobicContact CG2-CD1 3.91Å; S189-I218 PolarHBondContact O-N 3.16Å; V190-I218 WeakPolarHBondContact CA-O 3.31Å; V190-I218 HydrophobicContact CG2-CD1 4.3Å; T191-I218 PolarHBondContact N-O 2.74Å; I218-I220 HydrophobicContact CG2-CD1 4.13Å; I218-I220 HydrophobicContact CG2-CG1 3.84Å; I218-A268 HydrophobicContact CD1-CB 3.85Å; I218-A268 HydrophobicContact CG1-CB 4.07Å; I218-A268 HydrophobicContact CG2-CB 3.81Å; I218-A269 HydrophobicContact CD1-CB 3.9Å; I218-I279 HydrophobicContact CG1-CG2 4.29Å; I218-I279 HydrophobicContact CG2-CG2 4.25Å; I218-L281 HydrophobicContact CG2-CD1 3.86Å; I218-L281 HydrophobicContact CG2-CG 4.04Å
219	F	99	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.7	174.8	-67.6	-72	0	0	0	109	V170 V174 T191 Y193 F207 A210 V217 I248 P278 I279 L280 L281	V170-F219 HydrophobicContact CG1-CD1 3.96Å; V170-F219 HydrophobicContact CG1-CE1 3.7Å; V174-F219 HydrophobicContact CG2-CE1 3.69Å; V174-F219 HydrophobicContact CG2-CZ 3.55Å; T191-F219 HydrophobicContact CG2-CD1 4.2Å; T191-F219 HydrophobicContact CG2-CE1 4.41Å; T191-F219 WeakPolarHBondContact O-CA 3.4Å; Y193-F219 HydrophobicContact CE1-CB 4.23Å; F207-F219 HydrophobicContact CD1-CD1 4.08Å; F207-F219 AromaticContact CD1-CD2 3.82Å; F207-F219 HydrophobicContact CD1-CD2 3.82Å; F207-F219 AromaticContact CD1-CE1 3.93Å; F207-F219 HydrophobicContact CD1-CE1 3.93Å; F207-F219 AromaticContact CD1-CE2 3.66Å; F207-F219 HydrophobicContact CD1-CE2 3.66Å; F207-F219 HydrophobicContact CD1-CG 4.02Å; F207-F219 AromaticContact CD1-CZ 3.71Å; F207-F219 HydrophobicContact CD1-CZ 3.71Å; F207-F219 HydrophobicContact CE1-CB 4.02Å; F207-F219 AromaticContact CE1-CD1 3.69Å; F207-F219 HydrophobicContact CE1-CD1 3.69Å; F207-F219 AromaticContact CE1-CD2 3.82Å; F207-F219 HydrophobicContact CE1-CD2 3.82Å; F207-F219 AromaticContact CE1-CE1 3.99Å; F207-F219 HydrophobicContact CE1-CE1 3.99Å; F207-F219 HydrophobicContact CE1-CE2 4.12Å; F207-F219 AromaticContact CE1-CG 3.59Å; F207-F219 HydrophobicContact CE1-CG 3.59Å; F207-F219 HydrophobicContact CE1-CZ 4.18Å; A210-F219 HydrophobicContact CB-CE2 3.78Å; A210-F219 HydrophobicContact CB-CZ 3.66Å; V217-F219 HydrophobicContact CB-CD2 4.46Å; V217-F219 HydrophobicContact CB-CE2 4.09Å; V217-F219 HydrophobicContact CB-CZ 4.16Å; V217-F219 HydrophobicContact CG1-CD1 3.77Å; V217-F219 HydrophobicContact CG1-CD2 4Å; V217-F219 HydrophobicContact CG1-CE1 3.61Å; V217-F219 HydrophobicContact CG1-CE2 3.85Å; V217-F219 HydrophobicContact CG1-CG 3.97Å; V217-F219 HydrophobicContact CG1-CZ 3.66Å; F219-I248 HydrophobicContact CD2-CD1 4.37Å; F219-I248 HydrophobicContact CE2-CD1 4.04Å; F219-P278 HydrophobicContact CD2-CB 4.03Å; F219-P278 HydrophobicContact CE2-CB 3.67Å; F219-I279 PolarHBondContact N-O 2.92Å; F219-L280 HydrophobicContact CB-CD1 3.2Å; F219-L280 HydrophobicContact CD2-CD1 4.43Å; F219-L280 HydrophobicContact CG-CD1 4.1Å; F219-L280 CarbonylContact O-C 3.56Å; F219-L280 WeakPolarHBondContact O-CA 3.35Å; F219-L281 PolarHBondContact O-N 3.26Å
220	I	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.5	-179.7	-51.6	-171.9	0	0	0	110.4	I103 V190 T191 L192 Y193 I218 L281 T283	I103-I220 HydrophobicContact CD1-CD1 3.62Å; I103-I220 HydrophobicContact CG1-CD1 4.05Å; V190-I220 HydrophobicContact CG1-CD1 3.49Å; V190-I220 VanDerWaalsContact CG1-CD1 3.49Å; V190-I220 HydrophobicContact CG1-CG1 4.06Å; T191-I220 PolarHBondContact O-N 2.96Å; L192-I220 CarbonylContact C-O 3.39Å; L192-I220 VanDerWaalsContact CA-O 3.31Å; L192-I220 WeakPolarHBondContact CA-O 3.39Å; L192-I220 HydrophobicContact CD2-CB 4.27Å; L192-I220 HydrophobicContact CD2-CG2 4.33Å; L192-I220 HydrophobicContact CG-CB 4.11Å; Y193-I220 PolarHBondContact N-O 3.46Å; I218-I220 HydrophobicContact CG2-CD1 4.13Å; I218-I220 HydrophobicContact CG2-CG1 3.84Å; I220-L281 CarbonylContact C-O 3.05Å; I220-L281 VanDerWaalsContact CA-O 3.31Å; I220-L281 WeakPolarHBondContact CA-O 3.31Å; I220-L281 HydrophobicContact CD1-CD1 4.12Å; I220-L281 HydrophobicContact CG1-CB 4.15Å; I220-L281 HydrophobicContact CG1-CD1 4.28Å; I220-L281 HydrophobicContact CG1-CG 4.49Å; I220-L281 HydrophobicContact CG2-CB 4.39Å; I220-T283 HydrophobicContact CG2-CG2 3.8Å
221	C	98.9	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	107.5	169.3	-174.2	0	0	0	0	109.9	Y193 N223 L281 T283	Y193-C221 HydrophobicContact CD2-CB 4.34Å; Y193-C221 HydrophobicContact CE2-CB 3.63Å; Y193-C221 CarbonylContact O-C 3.55Å; Y193-C221 VanDerWaalsContact O-CA 3.27Å; Y193-C221 WeakPolarHBondContact O-CA 3.23Å; C221-N223 PolarHBondContact O-N 2.9Å; C221-L281 PolarHBondContact N-O 3.24Å; C221-T283 PolarHBondContact O-N 3.5Å; C221-T283 PolarHBondContact O-OG1 2.9Å
222	E	98.9	Very high	98.6	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	89.4	168.9	-65	-169	89.9	0	0	109.6	Y93 Q96 V99 L192 Y193 G194 D195 N224	Y93-E222 WeakPolarHBondContact CE2-OE1 3.45Å; Y93-E222 VanDerWaalsContact CZ-OE1 3.27Å; Y93-E222 PolarHBondContact OH-OE1 2.84Å; Q96-E222 PolarHBondContact NE2-OE1 2.97Å; V99-E222 HydrophobicContact CG1-CG 4.25Å; L192-E222 HydrophobicContact CD2-CG 4.01Å; Y193-E222 PolarHBondContact O-N 3.41Å; G194-E222 WeakPolarHBondContact CA-O 3.36Å; D195-E222 PolarHBondContact N-O 3.16Å; E222-N224 PolarHBondContact O-N 3.23Å
223	N	98.9	Very high	98.6	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	96	178.1	179.2	6.7	0	0	0	109.8	D195 C221 K225 Y241 E282 T283 T285	D195-N223 HydrophobicContact CB-CB 4.42Å; C221-N223 PolarHBondContact O-N 2.9Å; N223-K225 VanDerWaalsContact C-N 3.33Å; N223-K225 WeakPolarHBondContact OD1-CA 3.48Å; N223-K225 PolarHBondContact OD1-N 3.45Å; N223-Y241 HydrophobicContact CB-CD2 4.13Å; N223-Y241 HydrophobicContact CB-CE2 4.42Å; N223-E282 HydrophobicContact CB-CG 3.99Å; N223-E282 PolarHBondContact ND2-OE1 3.41Å; N223-T283 PolarHBondContact N-O 3.41Å; N223-T283 VanDerWaalsContact N-O 3.09Å; N223-T285 PolarHBondContact O-N 2.87Å
224	N	98.7	Very high	98.6	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.07	17%	0.172	C	C	.	.			trans	-99.6	20.9	174.6	67	34.3	0	0	0	112.9	Q96 D195 E222 Y226 T285 R287	Q96-N224 PolarHBondContact OE1-ND2 3.27Å; D195-N224 PolarHBondContact OD1-N 3.18Å; D195-N224 VanDerWaalsContact OD1-N 3.16Å; D195-N224 PolarHBondContact OD1-OD1 2.87Å; E222-N224 PolarHBondContact O-N 3.23Å; N224-Y226 PolarHBondContact O-N 3Å; N224-Y226 PolarHBondContact OD1-N 3.12Å; N224-Y226 PolarHBondContact OD1-O 3.45Å; N224-T285 WeakPolarHBondContact CA-O 3.43Å; N224-T285 HydrophobicContact CB-CG2 4.24Å; N224-R287 HydrophobicContact CB-CG 4.24Å
225	K	98.5	Very high	98.6	Very high	52 Å²	52	33.8 Å²	33.8	23%	0.226	17%	0.174	C	C	.	.	S	Bend	trans	73	-8.5	176.6	-47.1	-60.3	-174.5	168.9	0	116	N223 S231 V232 E284 Y286	N223-K225 VanDerWaalsContact C-N 3.33Å; N223-K225 WeakPolarHBondContact OD1-CA 3.48Å; N223-K225 PolarHBondContact OD1-N 3.45Å; K225-S231 WeakPolarHBondContact O-CA 3.32Å; K225-V232 PolarHBondContact O-N 3.31Å; K225-V232 VanDerWaalsContact O-N 3.17Å; K225-E284 WeakPolarHBondContact CE-OE1 3.08Å; K225-E284 IonicContact NZ-OE1 3.48Å; K225-E284 PolarHBondContact NZ-OE1 2.83Å; K225-E284 IonicContact NZ-OE2 3.76Å; K225-E284 PolarHBondContact NZ-OE2 3.31Å; K225-Y286 HydrophobicContact CG-CD2 4.2Å; K225-Y286 HydrophobicContact CG-CE2 4.35Å
226	Y	98.8	Very high	98.6	Very high	23 Å²	23	34.2 Å²	34.2	9%	0.09	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	112.4	-171.9	-59.8	-83.2	0	0	0	114.2	D195 N224 M228 Y286 R287 Y300 R301 E305	D195-Y226 VanDerWaalsContact OD2-C 3.26Å; N224-Y226 PolarHBondContact O-N 3Å; N224-Y226 PolarHBondContact OD1-N 3.12Å; N224-Y226 PolarHBondContact OD1-O 3.45Å; Y226-M228 PolarHBondContact O-N 3.06Å; Y226-Y286 HydrophobicContact CE2-CE2 4.14Å; Y226-R287 VanDerWaalsContact CB-NH2 3.3Å; Y226-Y300 AromaticContact CD1-CD2 3.65Å; Y226-Y300 HydrophobicContact CD1-CD2 3.65Å; Y226-Y300 HydrophobicContact CD1-CE2 4.01Å; Y226-Y300 AromaticContact CE1-CD2 3.92Å; Y226-Y300 HydrophobicContact CE1-CD2 3.92Å; Y226-Y300 HydrophobicContact CG-CD2 4.21Å; Y226-Y300 HydrophobicContact CG-CE2 4.1Å; Y226-R301 HydrophobicContact CE1-CB 4.15Å; Y226-R301 HydrophobicContact CE2-CB 4.28Å; Y226-R301 WeakPolarHBondContact OH-CB 3.39Å; Y226-E305 WeakPolarHBondContact CE2-OE1 3.48Å; Y226-E305 VanDerWaalsContact OH-CD 3.24Å; Y226-E305 PolarHBondContact OH-OE1 2.83Å; Y226-E305 PolarHBondContact OH-OE2 3.32Å
227	G	98.4	Very high	98.6	Very high	20 Å²	20	39.4 Å²	39.4	21%	0.206	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	98.6	165.4	0	0	0	0	0	110.8	D195 G229 T230	D195-G227 PolarHBondContact OD2-N 2.97Å; G227-G229 PolarHBondContact O-N 2.89Å; G227-T230 PolarHBondContact N-O 3.42Å; G227-T230 PolarHBondContact O-N 3.3Å
228	M	98.2	Very high	98.5	Very high	123 Å²	123	42.3 Å²	42.3	61%	0.606	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-94.7	-169.6	-172.7	-176.8	-177.1	0	0	111.9	Y226 R287 H291 Y300	Y226-M228 PolarHBondContact O-N 3.06Å; M228-R287 PolarHBondContact O-NH2 3.03Å; M228-H291 WeakPolarHBondContact CA-ND1 3.22Å; M228-H291 HydrophobicContact CG-CB 4.13Å; M228-Y300 VanDerWaalsContact O-CZ 3.31Å; M228-Y300 PolarHBondContact O-OH 2.96Å
229	G	98	Very high	98.5	Very high	20 Å²	20	44.8 Å²	44.8	21%	0.206	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	4.3	175.8	0	0	0	0	0	114.3	G227 Y300	G227-G229 PolarHBondContact O-N 2.89Å; G229-Y300 VanDerWaalsContact CA-CD1 3.49Å; G229-Y300 VanDerWaalsContact O-CB 3.27Å; G229-Y300 WeakPolarHBondContact O-CB 3.48Å
230	T	98.6	Very high	98.5	Very high	55 Å²	55	46.9 Å²	46.9	34%	0.337	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.6	-178.5	-56.5	0	0	0	0	109.4	G227 R234	G227-T230 PolarHBondContact N-O 3.42Å; G227-T230 PolarHBondContact O-N 3.3Å; T230-R234 HydrophobicContact CG2-CB 3.69Å
231	S	98.6	Very high	98.5	Very high	21 Å²	21	46.9 Å²	46.9	15%	0.147	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	156.9	177.1	63.3	0	0	0	0	112.3	K225 Q233 R234 S235	K225-S231 WeakPolarHBondContact O-CA 3.32Å; S231-Q233 PolarHBondContact O-N 3.06Å; S231-R234 PolarHBondContact O-N 2.8Å; S231-R234 WeakPolarHBondContact OG-CD 3.42Å; S231-R234 WeakPolarHBondContact OG-CG 3.3Å; S231-S235 PolarHBondContact O-N 3.47Å; S231-S235 PolarHBondContact O-OG 3.43Å
232	V	98.5	Very high	98.5	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-37.2	-179.5	-63.3	0	0	0	0	113.3	D195 K225 R234 S235 S236 T239 Y241	D195-V232 HydrophobicContact CB-CG1 3.78Å; K225-V232 PolarHBondContact O-N 3.31Å; K225-V232 VanDerWaalsContact O-N 3.17Å; V232-R234 PolarHBondContact O-N 3.11Å; V232-S235 PolarHBondContact O-N 3.26Å; V232-S235 PolarHBondContact O-OG 3.27Å; V232-S236 WeakPolarHBondContact O-CB 3.44Å; V232-S236 PolarHBondContact O-N 3.48Å; V232-T239 HydrophobicContact CB-CG2 4.01Å; V232-T239 HydrophobicContact CG2-CG2 4.03Å; V232-Y241 HydrophobicContact CB-CE2 4.17Å; V232-Y241 VanDerWaalsContact CB-OH 3.24Å; V232-Y241 WeakPolarHBondContact CB-OH 3.46Å; V232-Y241 HydrophobicContact CG1-CE2 3.82Å; V232-Y241 WeakPolarHBondContact CG1-OH 3.48Å
233	Q	98.1	Very high	98.5	Very high	136 Å²	136	49 Å²	49	64%	0.636	28%	0.276	S	S	*	.	H	α-helix	trans	-68	-23	178.3	-60.8	77.9	7.3	0	0	112.6	S231	S231-Q233 PolarHBondContact O-N 3.06Å
234	R	98.5	Very high	98.5	Very high	175 Å²	175	51 Å²	51	66%	0.66	28%	0.284	S	S	*	.	H	α-helix	trans	-96.1	-17.3	178.6	-68.6	174.6	59.8	-144.7	-4.4	112.8	T230 S231 V232	T230-R234 HydrophobicContact CG2-CB 3.69Å; S231-R234 PolarHBondContact O-N 2.8Å; S231-R234 WeakPolarHBondContact OG-CD 3.42Å; S231-R234 WeakPolarHBondContact OG-CG 3.3Å; V232-R234 PolarHBondContact O-N 3.11Å
235	S	98.3	Very high	98.5	Very high	42 Å²	42	50.4 Å²	50.4	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-104.4	-24	-177.6	67.3	0	0	0	0	113.6	N199 S231 V232	N199-S235 PolarHBondContact ND2-O 3.14Å; N199-S235 VanDerWaalsContact ND2-O 3.11Å; S231-S235 PolarHBondContact O-N 3.47Å; S231-S235 PolarHBondContact O-OG 3.43Å; V232-S235 PolarHBondContact O-N 3.26Å; V232-S235 PolarHBondContact O-OG 3.27Å
236	S	98.5	Very high	98.5	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.063	29%	0.294	C	S	.	.			trans	-135.1	124.9	-168.5	-50	0	0	0	0	111.4	N199 V232 N238 Y241	N199-S236 PolarHBondContact ND2-OG 2.52Å; V232-S236 WeakPolarHBondContact O-CB 3.44Å; V232-S236 PolarHBondContact O-N 3.48Å; S236-N238 VanDerWaalsContact C-N 3.27Å; S236-N238 PolarHBondContact O-N 3.08Å; S236-Y241 PolarHBondContact OG-OH 3.35Å
237	A	98.4	Very high	98.3	Very high	122 Å²	122	55.6 Å²	55.6	100%	1.008	31%	0.307	S	S	*	.	S	Bend	trans	-68.3	-28.1	174.5	0	0	0	0	0	112.7
238	N	97.9	Very high	98.4	Very high	61 Å²	61	54.6 Å²	54.6	33%	0.326	30%	0.297	S	S	.	.			trans	-120.9	112.2	169.3	176	5.7	0	0	0	108.8	S236 S240 T243 R244	S236-N238 VanDerWaalsContact C-N 3.27Å; S236-N238 PolarHBondContact O-N 3.08Å; N238-S240 WeakPolarHBondContact OD1-CA 3.44Å; N238-S240 VanDerWaalsContact OD1-CB 3.31Å; N238-S240 WeakPolarHBondContact OD1-CB 3.48Å; N238-S240 PolarHBondContact OD1-N 3.28Å; N238-T243 PolarHBondContact ND2-OG1 3.04Å; N238-R244 PolarHBondContact O-NH1 3.47Å; N238-R244 VanDerWaalsContact O-NH1 3.15Å
239	T	98.6	Very high	98.4	Very high	53 Å²	53	49 Å²	49	33%	0.325	27%	0.27	S	S	.	.			trans	-91.8	2.3	179.1	55.5	0	0	0	0	113.7	V232 Y241	V232-T239 HydrophobicContact CB-CG2 4.01Å; V232-T239 HydrophobicContact CG2-CG2 4.03Å; T239-Y241 VanDerWaalsContact C-N 3.35Å; T239-Y241 WeakPolarHBondContact O-CD2 3.45Å; T239-Y241 PolarHBondContact O-N 3.25Å
240	S	98.5	Very high	98.4	Very high	44 Å²	44	48.1 Å²	48.1	31%	0.308	26%	0.26	S	S	.	.			trans	-85.3	78.1	169.3	-61.3	0	0	0	0	108.7	N238 Y242 T243	N238-S240 WeakPolarHBondContact OD1-CA 3.44Å; N238-S240 VanDerWaalsContact OD1-CB 3.31Å; N238-S240 WeakPolarHBondContact OD1-CB 3.48Å; N238-S240 PolarHBondContact OD1-N 3.28Å; S240-Y242 PolarHBondContact O-N 3.03Å; S240-T243 WeakPolarHBondContact O-CB 3.47Å; S240-T243 PolarHBondContact O-N 3.43Å; S240-T243 PolarHBondContact O-OG1 3.32Å
241	Y	98.8	Very high	98.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-59.8	-33.3	-170.9	-65.2	-76.1	0	0	0	113.1	D195 A198 N223 V232 S236 T239 T243 R244 L280 E282	D195-Y241 HydrophobicContact CB-CE1 4.28Å; D195-Y241 HydrophobicContact CB-CE2 3.82Å; A198-Y241 HydrophobicContact CB-CD1 3.48Å; A198-Y241 VanDerWaalsContact CB-CD1 3.48Å; A198-Y241 HydrophobicContact CB-CE1 3.64Å; N223-Y241 HydrophobicContact CB-CD2 4.13Å; N223-Y241 HydrophobicContact CB-CE2 4.42Å; V232-Y241 HydrophobicContact CB-CE2 4.17Å; V232-Y241 VanDerWaalsContact CB-OH 3.24Å; V232-Y241 WeakPolarHBondContact CB-OH 3.46Å; V232-Y241 HydrophobicContact CG1-CE2 3.82Å; V232-Y241 WeakPolarHBondContact CG1-OH 3.48Å; S236-Y241 PolarHBondContact OG-OH 3.35Å; T239-Y241 VanDerWaalsContact C-N 3.35Å; T239-Y241 WeakPolarHBondContact O-CD2 3.45Å; T239-Y241 PolarHBondContact O-N 3.25Å; Y241-T243 PolarHBondContact O-N 3.07Å; Y241-R244 HydrophobicContact CD1-CG 4.46Å; Y241-R244 WeakPolarHBondContact O-CB 3.2Å; Y241-R244 WeakPolarHBondContact O-CG 3.44Å; Y241-R244 PolarHBondContact O-N 3.08Å; Y241-L280 VanDerWaalsContact O-CD2 3.23Å; Y241-L280 WeakPolarHBondContact O-CD2 3.19Å; Y241-E282 WeakPolarHBondContact CA-OE2 3.11Å; Y241-E282 WeakPolarHBondContact CB-OE2 3.23Å; Y241-E282 HydrophobicContact CD2-CG 4.49Å; Y241-E282 PolarHBondContact N-OE2 2.94Å
242	Y	98.7	Very high	98.4	Very high	30 Å²	30	46 Å²	46	12%	0.118	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.4	-12.3	174.1	72.4	-76.7	0	0	0	114.7	K41 F43 S240 W252 E282	K41-Y242 HydrophobicContact CB-CE2 4.21Å; F43-Y242 HydrophobicContact CB-CD2 3.77Å; F43-Y242 HydrophobicContact CB-CE2 3.79Å; S240-Y242 PolarHBondContact O-N 3.03Å; Y242-W252 HydrophobicContact CD1-CB 3.75Å; Y242-W252 HydrophobicContact CD1-CG 4.42Å; Y242-W252 HydrophobicContact CE1-CB 3.94Å; Y242-W252 HydrophobicContact CG-CB 4.07Å; Y242-E282 WeakPolarHBondContact CD1-OE2 3.44Å; Y242-E282 PolarHBondContact N-OE2 3.23Å
243	T	98.7	Very high	98.4	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.141	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-98.7	-10.6	177.1	69.9	0	0	0	0	113.4	F43 N238 S240 Y241 G245 D246	F43-T243 HydrophobicContact CB-CG2 4.01Å; F43-T243 HydrophobicContact CD1-CG2 4.47Å; F43-T243 HydrophobicContact CD2-CG2 3.84Å; F43-T243 HydrophobicContact CE2-CG2 4.42Å; F43-T243 HydrophobicContact CG-CG2 3.87Å; N238-T243 PolarHBondContact ND2-OG1 3.04Å; S240-T243 WeakPolarHBondContact O-CB 3.47Å; S240-T243 PolarHBondContact O-N 3.43Å; S240-T243 PolarHBondContact O-OG1 3.32Å; Y241-T243 PolarHBondContact O-N 3.07Å; T243-G245 PolarHBondContact O-N 2.95Å; T243-D246 PolarHBondContact O-N 3.28Å; T243-D246 VanDerWaalsContact O-N 3.07Å
244	R	98.7	Very high	98.5	Very high	45 Å²	45	39.6 Å²	39.6	17%	0.17	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.1	-168.7	-62.4	-67.8	-63.5	-79.1	-5.1	113.7	N199 F204 N238 Y241 D246	N199-R244 PolarHBondContact OD1-NH1 2.85Å; N199-R244 PolarHBondContact OD1-NH2 2.91Å; F204-R244 HydrophobicContact CE1-CB 4.5Å; F204-R244 WeakPolarHBondContact CE1-O 3.26Å; N238-R244 PolarHBondContact O-NH1 3.47Å; N238-R244 VanDerWaalsContact O-NH1 3.15Å; Y241-R244 HydrophobicContact CD1-CG 4.46Å; Y241-R244 WeakPolarHBondContact O-CB 3.2Å; Y241-R244 WeakPolarHBondContact O-CG 3.44Å; Y241-R244 PolarHBondContact O-N 3.08Å; R244-D246 PolarHBondContact O-N 2.9Å
245	G	98.6	Very high	98.5	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.9	171.7	0	0	0	0	0	114.4	T243 Y247 I248	T243-G245 PolarHBondContact O-N 2.95Å; G245-Y247 VanDerWaalsContact C-N 3.32Å; G245-Y247 PolarHBondContact O-N 2.84Å; G245-I248 PolarHBondContact O-N 3.24Å
246	D	98.3	Very high	98.5	Very high	93 Å²	93	29.4 Å²	29.4	50%	0.497	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-77.5	179.2	177.5	23.3	0	0	0	114.8	F43 K44 T243 R244	F43-D246 WeakPolarHBondContact CE1-O 3.3Å; F43-D246 WeakPolarHBondContact CZ-O 3.47Å; K44-D246 WeakPolarHBondContact CD-O 3.4Å; K44-D246 WeakPolarHBondContact CE-O 3.17Å; K44-D246 PolarHBondContact NZ-O 3.42Å; K44-D246 IonicContact NZ-OD1 3.6Å; T243-D246 PolarHBondContact O-N 3.28Å; T243-D246 VanDerWaalsContact O-N 3.07Å; R244-D246 PolarHBondContact O-N 2.9Å
247	Y	96.3	Very high	98.5	Very high	90 Å²	90	30.6 Å²	30.6	35%	0.353	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.2	175.5	42.7	-105.7	0	0	0	113.2	N208 K211 G245	N208-Y247 WeakPolarHBondContact CA-OH 3.4Å; N208-Y247 WeakPolarHBondContact CB-OH 3.37Å; N208-Y247 PolarHBondContact N-OH 3.48Å; N208-Y247 PolarHBondContact OD1-OH 3Å; K211-Y247 HydrophobicContact CB-CD2 3.89Å; K211-Y247 HydrophobicContact CB-CE2 3.86Å; K211-Y247 HydrophobicContact CG-CD2 3.76Å; K211-Y247 HydrophobicContact CG-CE2 4.23Å; G245-Y247 VanDerWaalsContact C-N 3.32Å; G245-Y247 PolarHBondContact O-N 2.84Å
248	I	98.7	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-85.9	126.9	169.8	-58.2	-176.7	0	0	0	108.9	F207 K211 F219 G245 P278 L280	F207-I248 HydrophobicContact CB-CD1 3.58Å; F207-I248 HydrophobicContact CD1-CD1 3.94Å; F207-I248 HydrophobicContact CG-CD1 3.88Å; K211-I248 HydrophobicContact CB-CD1 4.39Å; K211-I248 HydrophobicContact CB-CG1 4.04Å; K211-I248 HydrophobicContact CG-CG1 4.47Å; F219-I248 HydrophobicContact CD2-CD1 4.37Å; F219-I248 HydrophobicContact CE2-CD1 4.04Å; G245-I248 PolarHBondContact O-N 3.24Å; I248-P278 HydrophobicContact CD1-CB 4.27Å; I248-P278 HydrophobicContact CD1-CG 3.87Å; I248-P278 HydrophobicContact CG1-CG 4.13Å; I248-P278 HydrophobicContact CG2-CB 4.32Å; I248-P278 HydrophobicContact CG2-CG 4.29Å; I248-L280 HydrophobicContact CG2-CB 4.3Å
249	P	98.7	Very high	98.5	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.039	11%	0.112	C	C	.	.			trans	-64.5	151.9	174.2	27.6	-33.7	0	0	0	111	F43 K44 L45 W271 I279 L280	F43-P249 CarbonylContact O-C 3.49Å; F43-P249 VanDerWaalsContact O-CA 3.28Å; F43-P249 WeakPolarHBondContact O-CA 3.48Å; K44-P249 HydrophobicContact CB-CB 4.45Å; K44-P249 WeakPolarHBondContact O-CB 3.37Å; L45-P249 HydrophobicContact CD2-CB 3.59Å; L45-P249 HydrophobicContact CD2-CG 4.27Å; L45-P249 HydrophobicContact CG-CB 3.82Å; P249-W271 HydrophobicContact CB-CZ2 4.45Å; P249-W271 HydrophobicContact CG-CH2 4.1Å; P249-W271 HydrophobicContact CG-CZ2 3.53Å; P249-I279 HydrophobicContact CG-CG1 4.38Å; P249-I279 WeakPolarHBondContact O-CG1 3.27Å; P249-L280 PolarHBondContact O-N 3.5Å
250	G	98.8	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.9	179.6	0	0	0	0	0	116.3	S42 F43 L45 L280	S42-G250 CarbonylContact C-O 3.14Å; S42-G250 WeakPolarHBondContact CA-O 3.4Å; F43-G250 PolarHBondContact N-O 3.05Å; F43-G250 PolarHBondContact O-N 2.86Å; L45-G250 WeakPolarHBondContact CD1-O 3.18Å; G250-L280 CarbonylContact C-O 3.59Å; G250-L280 WeakPolarHBondContact CA-O 3.48Å
251	L	98.6	Very high	98.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.7	-174.7	-161.5	73.8	0	0	0	110.3	Y40 K41 L45 T48 P49 V253 A264 L280 L281 E282	Y40-L251 HydrophobicContact CD1-CD1 4.39Å; Y40-L251 HydrophobicContact CD1-CD2 3.57Å; Y40-L251 HydrophobicContact CD1-CG 3.94Å; Y40-L251 HydrophobicContact CE1-CD2 4.09Å; Y40-L251 HydrophobicContact CG-CD1 4.13Å; Y40-L251 HydrophobicContact CG-CD2 4.03Å; Y40-L251 HydrophobicContact CG-CG 4.19Å; K41-L251 CarbonylContact O-C 2.87Å; K41-L251 WeakPolarHBondContact O-CA 3.2Å; L45-L251 HydrophobicContact CD1-CB 4.46Å; L45-L251 HydrophobicContact CD1-CD1 4.15Å; T48-L251 HydrophobicContact CG2-CD1 3.92Å; P49-L251 HydrophobicContact CG-CD2 3.61Å; L251-V253 HydrophobicContact CB-CG2 4.48Å; L251-V253 HydrophobicContact CD2-CG2 4.07Å; L251-V253 HydrophobicContact CG-CG2 4.27Å; L251-A264 HydrophobicContact CD2-CB 3.97Å; L251-L280 PolarHBondContact N-O 3.17Å; L251-L281 HydrophobicContact CB-CD2 3.67Å; L251-L281 HydrophobicContact CD2-CD2 4.23Å; L251-L281 CarbonylContact O-C 3.39Å; L251-L281 WeakPolarHBondContact O-CA 3.35Å; L251-E282 PolarHBondContact O-N 3.45Å
252	W	98.7	Very high	98.5	Very high	31 Å²	31	17.6 Å²	17.6	12%	0.117	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.8	164	-175.5	96.1	0	0	0	109.3	K41 Y242 D254 E284	K41-W252 HydrophobicContact CB-CB 3.82Å; K41-W252 HydrophobicContact CD-CB 4.32Å; K41-W252 HydrophobicContact CD-CD2 4.43Å; K41-W252 HydrophobicContact CD-CG 4.29Å; K41-W252 HydrophobicContact CG-CB 4.29Å; K41-W252 PolarHBondContact N-O 3.07Å; K41-W252 PolarHBondContact O-N 3.11Å; Y242-W252 HydrophobicContact CD1-CB 3.75Å; Y242-W252 HydrophobicContact CD1-CG 4.42Å; Y242-W252 HydrophobicContact CE1-CB 3.94Å; Y242-W252 HydrophobicContact CG-CB 4.07Å; W252-D254 HydrophobicContact CH2-CB 4.29Å; W252-D254 HydrophobicContact CZ3-CB 4.29Å; W252-E284 HydrophobicContact CZ2-CB 3.58Å; W252-E284 VanDerWaalsContact CZ2-CD 3.41Å; W252-E284 HydrophobicContact CZ2-CG 4.01Å; W252-E284 PolarHBondContact NE1-OE2 2.75Å; W252-E284 VanDerWaalsContact NE1-OE2 3.11Å
253	V	98.8	Very high	98.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.1	-171.4	-175.4	0	0	0	0	108.8	Y40 L251 G255 T260 V261 A264 L281 E282 T283 E284	Y40-V253 HydrophobicContact CD1-CG2 4.38Å; Y40-V253 HydrophobicContact CE1-CG1 4.47Å; L251-V253 HydrophobicContact CB-CG2 4.48Å; L251-V253 HydrophobicContact CD2-CG2 4.07Å; L251-V253 HydrophobicContact CG-CG2 4.27Å; V253-G255 PolarHBondContact O-N 3.03Å; V253-T260 HydrophobicContact CG1-CG2 3.95Å; V253-V261 HydrophobicContact CG1-CG2 4.12Å; V253-A264 HydrophobicContact CB-CB 4.36Å; V253-A264 HydrophobicContact CG1-CB 3.79Å; V253-A264 HydrophobicContact CG2-CB 3.53Å; V253-L281 HydrophobicContact CG2-CB 4.45Å; V253-L281 HydrophobicContact CG2-CD2 4.41Å; V253-E282 PolarHBondContact N-O 2.98Å; V253-T283 HydrophobicContact CB-CG2 4.26Å; V253-T283 HydrophobicContact CG1-CG2 4.4Å; V253-E284 PolarHBondContact O-N 3.29Å
254	D	98.6	Very high	98.5	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.032	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	101	169.1	-173.4	-9.3	0	0	0	110.1	S38 W252 M256 D257 T260 R313	S38-D254 PolarHBondContact OG-OD2 3.21Å; W252-D254 HydrophobicContact CH2-CB 4.29Å; W252-D254 HydrophobicContact CZ3-CB 4.29Å; D254-M256 PolarHBondContact O-N 2.72Å; D254-M256 WeakPolarHBondContact OD1-CB 3.27Å; D254-M256 PolarHBondContact OD1-N 3.08Å; D254-D257 HydrophobicContact CB-CB 4.46Å; D254-D257 PolarHBondContact O-N 3.17Å; D254-T260 HydrophobicContact CB-CG2 4.19Å; D254-R313 IonicContact OD1-CZ 2.85Å; D254-R313 IonicContact OD1-NH1 3.95Å; D254-R313 IonicContact OD1-NH2 3.96Å; D254-R313 PolarHBondContact OD1-NH2 2.77Å; D254-R313 IonicContact OD2-CZ 2.63Å; D254-R313 IonicContact OD2-NH1 3.8Å; D254-R313 PolarHBondContact OD2-NH1 2.91Å; D254-R313 IonicContact OD2-NH2 3.56Å; D254-R313 PolarHBondContact OD2-NH2 2.96Å
255	G	98.7	Very high	98.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	4.3	179.9	0	0	0	0	0	114.6	V99 V253 E284 T285	V99-G255 WeakPolarHBondContact CG2-O 3.14Å; V253-G255 PolarHBondContact O-N 3.03Å; G255-E284 WeakPolarHBondContact CA-O 3.36Å; G255-E284 PolarHBondContact N-O 3.28Å; G255-T285 PolarHBondContact O-OG1 2.93Å
256	M	98.6	Very high	98.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-13.1	172	-50.9	-55.4	-65.8	0	0	112.3	G95 D254 T285 R313 P315	G95-M256 WeakPolarHBondContact O-CE 3.32Å; D254-M256 PolarHBondContact O-N 2.72Å; D254-M256 WeakPolarHBondContact OD1-CB 3.27Å; D254-M256 PolarHBondContact OD1-N 3.08Å; M256-T285 PolarHBondContact SD-OG1 3.34Å; M256-R313 HydrophobicContact CE-CB 4.46Å; M256-R313 WeakPolarHBondContact CE-O 3.49Å; M256-R313 HydrophobicContact CG-CB 4.49Å; M256-P315 HydrophobicContact CE-CG 4.39Å; M256-P315 WeakPolarHBondContact O-CA 3.44Å; M256-P315 WeakPolarHBondContact O-CB 3.44Å
257	D	98.4	Very high	98.5	Very high	34 Å²	34	15.7 Å²	15.7	18%	0.182	7%	0.067	C	C	.	.			trans	-107.2	109.7	177.6	176.4	-4.2	0	0	0	110.4	D254 L259 T260 V261	D254-D257 HydrophobicContact CB-CB 4.46Å; D254-D257 PolarHBondContact O-N 3.17Å; D257-L259 VanDerWaalsContact C-N 3.33Å; D257-L259 PolarHBondContact O-N 3.23Å; D257-L259 PolarHBondContact OD1-N 2.6Å; D257-T260 PolarHBondContact O-N 3.21Å; D257-T260 PolarHBondContact OD1-N 2.87Å; D257-T260 WeakPolarHBondContact OD2-CB 3.37Å; D257-T260 PolarHBondContact OD2-OG1 2.89Å; D257-V261 WeakPolarHBondContact O-CG2 3.27Å; D257-V261 PolarHBondContact O-N 3.28Å
258	I	98.3	Very high	98.6	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-57.9	-39.9	-178.9	-176.2	174.7	0	0	0	113.7	Y63 L67 A98 V101 V261 R262 F319	Y63-I258 HydrophobicContact CD2-CD1 4.23Å; Y63-I258 HydrophobicContact CG-CD1 3.86Å; L67-I258 HydrophobicContact CD1-CD1 4.25Å; L67-I258 HydrophobicContact CD2-CD1 4.49Å; L67-I258 HydrophobicContact CG-CD1 4.45Å; A98-I258 HydrophobicContact CB-CB 4.14Å; V101-I258 HydrophobicContact CB-CD1 3.95Å; V101-I258 HydrophobicContact CG1-CD1 3.53Å; I258-V261 PolarHBondContact O-N 3.46Å; I258-R262 WeakPolarHBondContact O-CB 2.91Å; I258-R262 PolarHBondContact O-N 3.42Å; I258-F319 HydrophobicContact CG2-CB 4.15Å; I258-F319 HydrophobicContact CG2-CD1 4.3Å; I258-F319 HydrophobicContact CG2-CD2 3.2Å; I258-F319 HydrophobicContact CG2-CE2 3.52Å; I258-F319 HydrophobicContact CG2-CG 3.63Å; I258-F319 HydrophobicContact CG2-CZ 4.18Å
259	L	98.6	Very high	98.6	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-74.6	-35.9	-177.3	-64	-176.1	0	0	0	110.3	F35 L37 T53 C55 D257 R262 E263 F319	F35-L259 HydrophobicContact CB-CD1 3.67Å; F35-L259 HydrophobicContact CD1-CD1 3.97Å; F35-L259 HydrophobicContact CD2-CD1 3.66Å; F35-L259 HydrophobicContact CE2-CD1 4.32Å; F35-L259 HydrophobicContact CG-CD1 3.46Å; F35-L259 VanDerWaalsContact CG-CD1 3.46Å; L37-L259 HydrophobicContact CD2-CB 3.58Å; T53-L259 HydrophobicContact CG2-CB 4.07Å; T53-L259 HydrophobicContact CG2-CD1 4.16Å; C55-L259 HydrophobicContact CB-CD1 4.35Å; C55-L259 HydrophobicContact CB-CD2 4.23Å; D257-L259 VanDerWaalsContact C-N 3.33Å; D257-L259 PolarHBondContact O-N 3.23Å; D257-L259 PolarHBondContact OD1-N 2.6Å; L259-R262 PolarHBondContact O-N 2.98Å; L259-E263 PolarHBondContact O-N 3.26Å; L259-F319 HydrophobicContact CD1-CE2 4.34Å; L259-F319 HydrophobicContact CD2-CE2 4.21Å; L259-F319 HydrophobicContact CG-CE2 4.07Å
260	T	98.6	Very high	98.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-44.6	171.7	-65.1	0	0	0	0	111.1	S38 Y40 V253 D254 D257 R262 A264	S38-T260 PolarHBondContact N-OG1 2.91Å; Y40-T260 HydrophobicContact CD1-CG2 4.36Å; Y40-T260 HydrophobicContact CE1-CG2 3.55Å; Y40-T260 PolarHBondContact OH-O 3.49Å; V253-T260 HydrophobicContact CG1-CG2 3.95Å; D254-T260 HydrophobicContact CB-CG2 4.19Å; D257-T260 PolarHBondContact O-N 3.21Å; D257-T260 PolarHBondContact OD1-N 2.87Å; D257-T260 WeakPolarHBondContact OD2-CB 3.37Å; D257-T260 PolarHBondContact OD2-OG1 2.89Å; T260-R262 PolarHBondContact O-N 2.75Å; T260-A264 WeakPolarHBondContact O-CB 3.26Å; T260-A264 PolarHBondContact O-N 2.82Å
261	V	98.8	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-43.2	174	174.8	0	0	0	0	111.5	I103 V253 D257 I258 T265	I103-V261 HydrophobicContact CG1-CG1 4.03Å; V253-V261 HydrophobicContact CG1-CG2 4.12Å; D257-V261 WeakPolarHBondContact O-CG2 3.27Å; D257-V261 PolarHBondContact O-N 3.28Å; I258-V261 PolarHBondContact O-N 3.46Å; V261-T265 WeakPolarHBondContact O-CB 3.21Å; V261-T265 PolarHBondContact O-N 2.82Å; V261-T265 PolarHBondContact O-OG1 3.34Å
262	R	98.6	Very high	98.5	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.008	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-51.8	179.4	-174.8	-171.1	76.7	-177.3	4.6	111.3	T53 E54 G102 A105 A106 I258 L259 T260 T265 R266	T53-R262 PolarHBondContact OG1-NH2 3.42Å; E54-R262 PolarHBondContact O-NH2 2.91Å; G102-R262 WeakPolarHBondContact O-CA 3.38Å; A105-R262 HydrophobicContact CB-CB 4.48Å; A105-R262 HydrophobicContact CB-CG 3.84Å; A106-R262 HydrophobicContact CB-CG 4.3Å; A106-R262 WeakPolarHBondContact CB-O 3.36Å; I258-R262 WeakPolarHBondContact O-CB 2.91Å; I258-R262 PolarHBondContact O-N 3.42Å; L259-R262 PolarHBondContact O-N 2.98Å; T260-R262 PolarHBondContact O-N 2.75Å; R262-T265 PolarHBondContact O-N 3.09Å; R262-R266 WeakPolarHBondContact O-CG 3.19Å; R262-R266 PolarHBondContact O-N 3.42Å
263	E	98.7	Very high	98.5	Very high	28 Å²	28	18.6 Å²	18.6	13%	0.131	8%	0.084	C	C	.	.	H	α-helix	trans	-69.4	-36.4	-177.7	-65.8	-45.5	126.7	0	0	112.7	L37 P49 T53 L259 T265 R266 F267	L37-E263 HydrophobicContact CD1-CB 3.78Å; L37-E263 HydrophobicContact CD1-CG 3.57Å; P49-E263 HydrophobicContact CB-CB 4.49Å; T53-E263 HydrophobicContact CG2-CG 4.1Å; T53-E263 PolarHBondContact OG1-OE1 2.84Å; L259-E263 PolarHBondContact O-N 3.26Å; E263-T265 VanDerWaalsContact C-N 3.31Å; E263-T265 PolarHBondContact O-N 3.18Å; E263-R266 PolarHBondContact O-N 3.37Å; E263-R266 IonicContact OE1-CZ 2.73Å; E263-R266 IonicContact OE1-NE 3.17Å; E263-R266 IonicContact OE1-NH1 3.89Å; E263-R266 PolarHBondContact OE1-NH1 2.86Å; E263-R266 IonicContact OE2-NH1 3.05Å; E263-F267 WeakPolarHBondContact O-CB 3.33Å; E263-F267 PolarHBondContact O-N 3.06Å
264	A	98.8	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.2	-41.9	170.9	0	0	0	0	0	112.4	Y40 L251 V253 T260 A268 L281	Y40-A264 HydrophobicContact CE1-CB 3.89Å; L251-A264 HydrophobicContact CD2-CB 3.97Å; V253-A264 HydrophobicContact CB-CB 4.36Å; V253-A264 HydrophobicContact CG1-CB 3.79Å; V253-A264 HydrophobicContact CG2-CB 3.53Å; T260-A264 WeakPolarHBondContact O-CB 3.26Å; T260-A264 PolarHBondContact O-N 2.82Å; A264-A268 WeakPolarHBondContact O-CB 3.44Å; A264-A268 PolarHBondContact O-N 3.13Å; A264-L281 HydrophobicContact CB-CD1 4.5Å
265	T	98.8	Very high	98.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-70.2	-39.8	179.4	-53.7	0	0	0	0	111.2	I103 A106 L107 V261 R262 E263 A268 A269	I103-T265 HydrophobicContact CG1-CG2 4.43Å; I103-T265 HydrophobicContact CG2-CG2 4.3Å; A106-T265 HydrophobicContact CB-CG2 3.58Å; L107-T265 HydrophobicContact CD2-CG2 4.16Å; V261-T265 WeakPolarHBondContact O-CB 3.21Å; V261-T265 PolarHBondContact O-N 2.82Å; V261-T265 PolarHBondContact O-OG1 3.34Å; R262-T265 PolarHBondContact O-N 3.09Å; E263-T265 VanDerWaalsContact C-N 3.31Å; E263-T265 PolarHBondContact O-N 3.18Å; T265-A268 PolarHBondContact O-N 2.94Å; T265-A269 VanDerWaalsContact O-CB 3.31Å; T265-A269 WeakPolarHBondContact O-CB 3.43Å; T265-A269 PolarHBondContact O-N 3.44Å
266	R	98.5	Very high	98.2	Very high	82 Å²	82	30.6 Å²	30.6	31%	0.309	15%	0.148	S	C	.	.	H	α-helix	trans	-59.6	-50	174	-76	178.2	176.4	174.2	-7	111.3	A106 R262 E263 A268 A269 D270	A106-R266 HydrophobicContact CB-CB 4.45Å; A106-R266 HydrophobicContact CB-CG 3.57Å; R262-R266 WeakPolarHBondContact O-CG 3.19Å; R262-R266 PolarHBondContact O-N 3.42Å; E263-R266 PolarHBondContact O-N 3.37Å; E263-R266 IonicContact OE1-CZ 2.73Å; E263-R266 IonicContact OE1-NE 3.17Å; E263-R266 IonicContact OE1-NH1 3.89Å; E263-R266 PolarHBondContact OE1-NH1 2.86Å; E263-R266 IonicContact OE2-NH1 3.05Å; R266-A268 VanDerWaalsContact C-N 3.34Å; R266-A268 PolarHBondContact O-N 3.15Å; R266-A269 PolarHBondContact O-N 3.09Å; R266-A269 VanDerWaalsContact O-N 3.17Å; R266-D270 PolarHBondContact O-N 3.16Å
267	F	98.5	Very high	98.1	Very high	41 Å²	41	30.5 Å²	30.5	18%	0.18	15%	0.147	C	C	.	.	H	α-helix	trans	-56.2	-47.3	176	175	-89.9	0	0	0	112.1	L45 S47 P49 E263 A269 D270 W271 I279	L45-F267 HydrophobicContact CD1-CE1 4.18Å; L45-F267 HydrophobicContact CD2-CE1 4.29Å; L45-F267 HydrophobicContact CD2-CZ 4.37Å; S47-F267 WeakPolarHBondContact O-CZ 3.38Å; P49-F267 HydrophobicContact CB-CB 4.08Å; P49-F267 HydrophobicContact CB-CD2 4.48Å; P49-F267 HydrophobicContact CB-CG 4.38Å; P49-F267 HydrophobicContact CG-CB 3.68Å; P49-F267 HydrophobicContact CG-CD1 4.18Å; P49-F267 HydrophobicContact CG-CD2 4.21Å; P49-F267 HydrophobicContact CG-CG 3.77Å; E263-F267 WeakPolarHBondContact O-CB 3.33Å; E263-F267 PolarHBondContact O-N 3.06Å; F267-A269 VanDerWaalsContact C-N 3.33Å; F267-A269 PolarHBondContact O-N 2.89Å; F267-D270 PolarHBondContact O-N 3.48Å; F267-W271 HydrophobicContact CZ-CE3 4.47Å; F267-W271 WeakPolarHBondContact O-CB 3.27Å; F267-W271 PolarHBondContact O-N 2.92Å; F267-I279 HydrophobicContact CD1-CD1 4.18Å; F267-I279 HydrophobicContact CE1-CD1 3.83Å
268	A	98.7	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-37.1	178.6	0	0	0	0	0	112.5	I218 A264 T265 R266 W271 C272 I279 L281	I218-A268 HydrophobicContact CD1-CB 3.85Å; I218-A268 HydrophobicContact CG1-CB 4.07Å; I218-A268 HydrophobicContact CG2-CB 3.81Å; A264-A268 WeakPolarHBondContact O-CB 3.44Å; A264-A268 PolarHBondContact O-N 3.13Å; T265-A268 PolarHBondContact O-N 2.94Å; R266-A268 VanDerWaalsContact C-N 3.34Å; R266-A268 PolarHBondContact O-N 3.15Å; A268-W271 WeakPolarHBondContact O-CB 3.37Å; A268-W271 PolarHBondContact O-N 3.17Å; A268-C272 PolarHBondContact O-N 2.83Å; A268-C272 PolarHBondContact O-SG 2.87Å; A268-I279 HydrophobicContact CB-CD1 4.44Å; A268-I279 HydrophobicContact CB-CG2 3.57Å; A268-L281 HydrophobicContact CB-CD1 3.91Å; A268-L281 HydrophobicContact CB-CD2 4.19Å; A268-L281 HydrophobicContact CB-CG 4.27Å
269	A	98.6	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.4	-42.8	177.1	0	0	0	0	0	111.6	V188 I218 T265 R266 F267 W271 C272 R273	V188-A269 HydrophobicContact CG1-CB 4.38Å; V188-A269 HydrophobicContact CG2-CB 4.14Å; I218-A269 HydrophobicContact CD1-CB 3.9Å; T265-A269 VanDerWaalsContact O-CB 3.31Å; T265-A269 WeakPolarHBondContact O-CB 3.43Å; T265-A269 PolarHBondContact O-N 3.44Å; R266-A269 PolarHBondContact O-N 3.09Å; R266-A269 VanDerWaalsContact O-N 3.17Å; F267-A269 VanDerWaalsContact C-N 3.33Å; F267-A269 PolarHBondContact O-N 2.89Å; A269-W271 VanDerWaalsContact C-N 3.33Å; A269-W271 PolarHBondContact O-N 3.18Å; A269-C272 PolarHBondContact O-N 3.42Å; A269-R273 VanDerWaalsContact CB-NH1 3.26Å; A269-R273 WeakPolarHBondContact O-CB 3.33Å; A269-R273 VanDerWaalsContact O-CG 3.26Å; A269-R273 WeakPolarHBondContact O-CG 3.5Å; A269-R273 PolarHBondContact O-N 2.87Å
270	D	98	Very high	98.2	Very high	94 Å²	94	28.6 Å²	28.6	50%	0.503	14%	0.137	S	C	.	.	H	α-helix	trans	-66.9	-35.6	175.5	-67.8	-15.3	0	0	0	112.1	R266 F267 R273 S274	R266-D270 PolarHBondContact O-N 3.16Å; F267-D270 PolarHBondContact O-N 3.48Å; D270-R273 PolarHBondContact O-N 3.4Å; D270-R273 IonicContact OD1-NH1 3.86Å; D270-R273 PolarHBondContact OD1-NH1 3.17Å; D270-R273 VanDerWaalsContact OD1-NH1 3.17Å; D270-S274 VanDerWaalsContact O-CB 3.26Å; D270-S274 WeakPolarHBondContact O-CB 3.19Å; D270-S274 PolarHBondContact O-N 3.43Å; D270-S274 PolarHBondContact O-OG 3.14Å
271	W	97.9	Very high	98.2	Very high	45 Å²	45	28.7 Å²	28.7	17%	0.17	14%	0.137	C	C	.	.	H	α-helix	trans	-55.4	-52.1	169.3	177	-79.6	0	0	0	111.5	L45 P249 F267 A268 A269 S274 K276 G277 P278 I279	L45-W271 HydrophobicContact CD2-CE3 3.94Å; L45-W271 HydrophobicContact CD2-CH2 3.83Å; L45-W271 HydrophobicContact CD2-CZ3 3.46Å; L45-W271 VanDerWaalsContact CD2-CZ3 3.46Å; P249-W271 HydrophobicContact CB-CZ2 4.45Å; P249-W271 HydrophobicContact CG-CH2 4.1Å; P249-W271 HydrophobicContact CG-CZ2 3.53Å; F267-W271 HydrophobicContact CZ-CE3 4.47Å; F267-W271 WeakPolarHBondContact O-CB 3.27Å; F267-W271 PolarHBondContact O-N 2.92Å; A268-W271 WeakPolarHBondContact O-CB 3.37Å; A268-W271 PolarHBondContact O-N 3.17Å; A269-W271 VanDerWaalsContact C-N 3.33Å; A269-W271 PolarHBondContact O-N 3.18Å; W271-S274 PolarHBondContact O-N 3.48Å; W271-S274 PolarHBondContact O-OG 3.46Å; W271-K276 HydrophobicContact CD2-CB 3.83Å; W271-K276 HydrophobicContact CD2-CD 3.78Å; W271-K276 HydrophobicContact CD2-CG 4.47Å; W271-K276 HydrophobicContact CE3-CD 3.7Å; W271-K276 HydrophobicContact CG-CB 4.09Å; W271-K276 HydrophobicContact CG-CD 4.42Å; W271-K276 HydrophobicContact CH2-CB 4.44Å; W271-K276 HydrophobicContact CH2-CD 4.03Å; W271-K276 HydrophobicContact CZ2-CB 3.68Å; W271-K276 HydrophobicContact CZ2-CD 4.09Å; W271-K276 HydrophobicContact CZ2-CG 4.47Å; W271-K276 HydrophobicContact CZ3-CD 3.84Å; W271-K276 PolarHBondContact NE1-O 3.37Å; W271-K276 WeakPolarHBondContact O-CB 3.46Å; W271-K276 PolarHBondContact O-N 3.01Å; W271-G277 VanDerWaalsContact CD1-O 3.3Å; W271-G277 PolarHBondContact NE1-O 3.35Å; W271-P278 PolarHBondContact NE1-O 3.33Å; W271-I279 HydrophobicContact CB-CD1 4.42Å; W271-I279 HydrophobicContact CD2-CD1 4.26Å; W271-I279 HydrophobicContact CG-CB 4.35Å; W271-I279 HydrophobicContact CG-CD1 4.15Å
272	C	98.2	Very high	98.2	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-43	179.3	-72.3	0	0	0	0	112.3	V188 P216 A268 A269 S274 D275 G277	V188-C272 HydrophobicContact CB-CB 4.44Å; V188-C272 HydrophobicContact CG1-CB 3.54Å; P216-C272 HydrophobicContact CB-CB 4.01Å; A268-C272 PolarHBondContact O-N 2.83Å; A268-C272 PolarHBondContact O-SG 2.87Å; A269-C272 PolarHBondContact O-N 3.42Å; C272-S274 VanDerWaalsContact C-N 3.28Å; C272-S274 PolarHBondContact O-N 3.25Å; C272-D275 PolarHBondContact O-N 2.87Å; C272-D275 VanDerWaalsContact O-N 3.12Å; C272-G277 PolarHBondContact SG-O 2.92Å
273	R	97.6	Very high	98.2	Very high	48 Å²	48	28.8 Å²	28.8	18%	0.181	14%	0.138	C	C	.	.	H	α-helix	trans	-68.2	-26	179.9	-69.2	178.9	-161.6	119.4	-2.3	113.1	D111 V188 A269 D270 D275	D111-R273 IonicContact OD1-NH2 3.71Å; D111-R273 IonicContact OD2-CZ 3.49Å; D111-R273 IonicContact OD2-NH2 3.32Å; D111-R273 PolarHBondContact OD2-NH2 3.16Å; V188-R273 HydrophobicContact CG1-CG 3.89Å; A269-R273 VanDerWaalsContact CB-NH1 3.26Å; A269-R273 WeakPolarHBondContact O-CB 3.33Å; A269-R273 VanDerWaalsContact O-CG 3.26Å; A269-R273 WeakPolarHBondContact O-CG 3.5Å; A269-R273 PolarHBondContact O-N 2.87Å; D270-R273 PolarHBondContact O-N 3.4Å; D270-R273 IonicContact OD1-NH1 3.86Å; D270-R273 PolarHBondContact OD1-NH1 3.17Å; D270-R273 VanDerWaalsContact OD1-NH1 3.17Å; R273-D275 PolarHBondContact O-N 3.24Å
274	S	96.4	Very high	98.2	Very high	60 Å²	60	29.9 Å²	29.9	42%	0.42	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	16.9	171.6	62.4	0	0	0	0	113.9	D270 W271 C272 K276	D270-S274 VanDerWaalsContact O-CB 3.26Å; D270-S274 WeakPolarHBondContact O-CB 3.19Å; D270-S274 PolarHBondContact O-N 3.43Å; D270-S274 PolarHBondContact O-OG 3.14Å; W271-S274 PolarHBondContact O-N 3.48Å; W271-S274 PolarHBondContact O-OG 3.46Å; C272-S274 VanDerWaalsContact C-N 3.28Å; C272-S274 PolarHBondContact O-N 3.25Å; S274-K276 PolarHBondContact O-N 2.89Å
275	D	95.8	Very high	98.2	Very high	93 Å²	93	30 Å²	30	50%	0.497	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	32.6	176.3	-59.6	-43.9	0	0	0	113.3	K186 N214 C272 R273 G277	K186-D275 IonicContact NZ-OD1 2.94Å; K186-D275 PolarHBondContact NZ-OD1 3.2Å; K186-D275 IonicContact NZ-OD2 2.74Å; K186-D275 PolarHBondContact NZ-OD2 3.09Å; N214-D275 PolarHBondContact ND2-O 3.38Å; C272-D275 PolarHBondContact O-N 2.87Å; C272-D275 VanDerWaalsContact O-N 3.12Å; R273-D275 PolarHBondContact O-N 3.24Å; D275-G277 VanDerWaalsContact C-N 3.31Å
276	K	97.2	Very high	98.2	Very high	105 Å²	105	30 Å²	30	46%	0.457	14%	0.144	S	C	.	.			trans	-89.4	1.5	172.6	-63.2	177.4	-178.1	166.8	0	113.8	N214 W271 S274	N214-K276 PolarHBondContact OD1-O 3.18Å; W271-K276 HydrophobicContact CD2-CB 3.83Å; W271-K276 HydrophobicContact CD2-CD 3.78Å; W271-K276 HydrophobicContact CD2-CG 4.47Å; W271-K276 HydrophobicContact CE3-CD 3.7Å; W271-K276 HydrophobicContact CG-CB 4.09Å; W271-K276 HydrophobicContact CG-CD 4.42Å; W271-K276 HydrophobicContact CH2-CB 4.44Å; W271-K276 HydrophobicContact CH2-CD 4.03Å; W271-K276 HydrophobicContact CZ2-CB 3.68Å; W271-K276 HydrophobicContact CZ2-CD 4.09Å; W271-K276 HydrophobicContact CZ2-CG 4.47Å; W271-K276 HydrophobicContact CZ3-CD 3.84Å; W271-K276 PolarHBondContact NE1-O 3.37Å; W271-K276 WeakPolarHBondContact O-CB 3.46Å; W271-K276 PolarHBondContact O-N 3.01Å; S274-K276 PolarHBondContact O-N 2.89Å
277	G	98.1	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.			trans	81.2	-151.8	177.5	0	0	0	0	0	113.3	N214 L215 W271 C272 D275	N214-G277 WeakPolarHBondContact OD1-CA 3.46Å; N214-G277 PolarHBondContact OD1-N 2.99Å; L215-G277 CarbonylContact O-C 3.53Å; L215-G277 WeakPolarHBondContact O-CA 3.44Å; W271-G277 VanDerWaalsContact CD1-O 3.3Å; W271-G277 PolarHBondContact NE1-O 3.35Å; C272-G277 PolarHBondContact SG-O 2.92Å; D275-G277 VanDerWaalsContact C-N 3.31Å
278	P	98.9	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.			trans	-75.6	159.8	-173.8	32.2	-37.2	0	0	0	112.2	A210 K211 L215 V217 F219 I248 W271	A210-P278 HydrophobicContact CB-CB 4.19Å; A210-P278 HydrophobicContact CB-CG 4.08Å; A210-P278 WeakPolarHBondContact O-CD 3.46Å; K211-P278 HydrophobicContact CB-CG 4.09Å; K211-P278 HydrophobicContact CD-CG 4.16Å; L215-P278 VanDerWaalsContact O-N 3.15Å; V217-P278 HydrophobicContact CB-CB 4.41Å; V217-P278 WeakPolarHBondContact O-CA 3.49Å; V217-P278 WeakPolarHBondContact O-CB 3.38Å; F219-P278 HydrophobicContact CD2-CB 4.03Å; F219-P278 HydrophobicContact CE2-CB 3.67Å; I248-P278 HydrophobicContact CD1-CB 4.27Å; I248-P278 HydrophobicContact CD1-CG 3.87Å; I248-P278 HydrophobicContact CG1-CG 4.13Å; I248-P278 HydrophobicContact CG2-CB 4.32Å; I248-P278 HydrophobicContact CG2-CG 4.29Å; W271-P278 PolarHBondContact NE1-O 3.33Å
279	I	98.9	Very high	98.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.2	172.8	-171.6	169.5	0	0	0	109.6	L45 V217 I218 F219 P249 F267 A268 W271	L45-I279 HydrophobicContact CD1-CD1 4.39Å; L45-I279 HydrophobicContact CD2-CD1 4.25Å; V217-I279 PolarHBondContact O-N 2.79Å; I218-I279 HydrophobicContact CG1-CG2 4.29Å; I218-I279 HydrophobicContact CG2-CG2 4.25Å; F219-I279 PolarHBondContact N-O 2.92Å; P249-I279 HydrophobicContact CG-CG1 4.38Å; P249-I279 WeakPolarHBondContact O-CG1 3.27Å; F267-I279 HydrophobicContact CD1-CD1 4.18Å; F267-I279 HydrophobicContact CE1-CD1 3.83Å; A268-I279 HydrophobicContact CB-CD1 4.44Å; A268-I279 HydrophobicContact CB-CG2 3.57Å; W271-I279 HydrophobicContact CB-CD1 4.42Å; W271-I279 HydrophobicContact CD2-CD1 4.26Å; W271-I279 HydrophobicContact CG-CB 4.35Å; W271-I279 HydrophobicContact CG-CD1 4.15Å
280	L	98.9	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.5	-177.9	-157.4	64.8	0	0	0	110.7	Y193 F207 F219 Y241 I248 P249 G250 L251	Y193-L280 VanDerWaalsContact OH-CD1 3.26Å; Y193-L280 WeakPolarHBondContact OH-CD1 3.24Å; F207-L280 HydrophobicContact CE1-CD1 3.76Å; F207-L280 HydrophobicContact CZ-CD1 3.63Å; F207-L280 HydrophobicContact CZ-CD2 4.35Å; F219-L280 HydrophobicContact CB-CD1 3.2Å; F219-L280 HydrophobicContact CD2-CD1 4.43Å; F219-L280 HydrophobicContact CG-CD1 4.1Å; F219-L280 CarbonylContact O-C 3.56Å; F219-L280 WeakPolarHBondContact O-CA 3.35Å; Y241-L280 VanDerWaalsContact O-CD2 3.23Å; Y241-L280 WeakPolarHBondContact O-CD2 3.19Å; I248-L280 HydrophobicContact CG2-CB 4.3Å; P249-L280 PolarHBondContact O-N 3.5Å; G250-L280 CarbonylContact C-O 3.59Å; G250-L280 WeakPolarHBondContact CA-O 3.48Å; L251-L280 PolarHBondContact N-O 3.17Å
281	L	98.9	Very high	98.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.5	169.5	-53.7	-177.6	0	0	0	109.2	I218 F219 I220 C221 L251 V253 A264 A268	I218-L281 HydrophobicContact CG2-CD1 3.86Å; I218-L281 HydrophobicContact CG2-CG 4.04Å; F219-L281 PolarHBondContact O-N 3.26Å; I220-L281 CarbonylContact C-O 3.05Å; I220-L281 VanDerWaalsContact CA-O 3.31Å; I220-L281 WeakPolarHBondContact CA-O 3.31Å; I220-L281 HydrophobicContact CD1-CD1 4.12Å; I220-L281 HydrophobicContact CG1-CB 4.15Å; I220-L281 HydrophobicContact CG1-CD1 4.28Å; I220-L281 HydrophobicContact CG1-CG 4.49Å; I220-L281 HydrophobicContact CG2-CB 4.39Å; C221-L281 PolarHBondContact N-O 3.24Å; L251-L281 HydrophobicContact CB-CD2 3.67Å; L251-L281 HydrophobicContact CD2-CD2 4.23Å; L251-L281 CarbonylContact O-C 3.39Å; L251-L281 WeakPolarHBondContact O-CA 3.35Å; V253-L281 HydrophobicContact CG2-CB 4.45Å; V253-L281 HydrophobicContact CG2-CD2 4.41Å; A264-L281 HydrophobicContact CB-CD1 4.5Å; A268-L281 HydrophobicContact CB-CD1 3.91Å; A268-L281 HydrophobicContact CB-CD2 4.19Å; A268-L281 HydrophobicContact CB-CG 4.27Å
282	E	98.9	Very high	98.1	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.1	162.2	178.4	-175.9	166.6	0	0	108.2	N223 Y241 Y242 L251 V253 E284	N223-E282 HydrophobicContact CB-CG 3.99Å; N223-E282 PolarHBondContact ND2-OE1 3.41Å; Y241-E282 WeakPolarHBondContact CA-OE2 3.11Å; Y241-E282 WeakPolarHBondContact CB-OE2 3.23Å; Y241-E282 HydrophobicContact CD2-CG 4.49Å; Y241-E282 PolarHBondContact N-OE2 2.94Å; Y242-E282 WeakPolarHBondContact CD1-OE2 3.44Å; Y242-E282 PolarHBondContact N-OE2 3.23Å; L251-E282 PolarHBondContact O-N 3.45Å; V253-E282 PolarHBondContact N-O 2.98Å; E282-E284 PolarHBondContact O-N 2.78Å
283	T	98.8	Very high	98.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	102	172	54.7	0	0	0	0	108.4	V99 I220 C221 N223 V253 T285	V99-T283 HydrophobicContact CG1-CG2 4.39Å; I220-T283 HydrophobicContact CG2-CG2 3.8Å; C221-T283 PolarHBondContact O-N 3.5Å; C221-T283 PolarHBondContact O-OG1 2.9Å; N223-T283 PolarHBondContact N-O 3.41Å; N223-T283 VanDerWaalsContact N-O 3.09Å; V253-T283 HydrophobicContact CB-CG2 4.26Å; V253-T283 HydrophobicContact CG1-CG2 4.4Å; T283-T285 PolarHBondContact O-N 2.89Å
284	E	98.8	Very high	97.9	Very high	51 Å²	51	26.3 Å²	26.3	24%	0.238	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108.7	177.4	-178.8	168.3	136.4	0	0	110.1	K225 W252 V253 G255 E282	K225-E284 WeakPolarHBondContact CE-OE1 3.08Å; K225-E284 IonicContact NZ-OE1 3.48Å; K225-E284 PolarHBondContact NZ-OE1 2.83Å; K225-E284 IonicContact NZ-OE2 3.76Å; K225-E284 PolarHBondContact NZ-OE2 3.31Å; W252-E284 HydrophobicContact CZ2-CB 3.58Å; W252-E284 VanDerWaalsContact CZ2-CD 3.41Å; W252-E284 HydrophobicContact CZ2-CG 4.01Å; W252-E284 PolarHBondContact NE1-OE2 2.75Å; W252-E284 VanDerWaalsContact NE1-OE2 3.11Å; V253-E284 PolarHBondContact O-N 3.29Å; G255-E284 WeakPolarHBondContact CA-O 3.36Å; G255-E284 PolarHBondContact N-O 3.28Å; E282-E284 PolarHBondContact O-N 2.78Å
285	T	98.8	Very high	98	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	13%	0.13	C	C	.	.			trans	-134.6	-168.3	-172.4	-169.4	0	0	0	0	110.7	Q96 V99 N223 N224 G255 M256 T283	Q96-T285 HydrophobicContact CB-CG2 4.33Å; Q96-T285 HydrophobicContact CG-CG2 3.74Å; V99-T285 HydrophobicContact CG2-CG2 4.15Å; N223-T285 PolarHBondContact O-N 2.87Å; N224-T285 WeakPolarHBondContact CA-O 3.43Å; N224-T285 HydrophobicContact CB-CG2 4.24Å; G255-T285 PolarHBondContact O-OG1 2.93Å; M256-T285 PolarHBondContact SD-OG1 3.34Å; T283-T285 PolarHBondContact O-N 2.89Å
286	Y	98.8	Very high	97.9	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.012	14%	0.139	C	C	.	.			trans	-152.3	135.3	179	-156.5	-89.1	0	0	0	113.4	G95 K225 Y226 Y288 R301 E305 V306 M309	G95-Y286 CarbonylContact C-O 3.5Å; G95-Y286 VanDerWaalsContact CA-O 3.27Å; G95-Y286 WeakPolarHBondContact CA-O 3.37Å; G95-Y286 VanDerWaalsContact O-O 3.13Å; K225-Y286 HydrophobicContact CG-CD2 4.2Å; K225-Y286 HydrophobicContact CG-CE2 4.35Å; Y226-Y286 HydrophobicContact CE2-CE2 4.14Å; Y286-Y288 HydrophobicContact CD1-CD1 4.14Å; Y286-R301 VanDerWaalsContact CE1-NH1 3.33Å; Y286-R301 WeakPolarHBondContact OH-CD 3.3Å; Y286-R301 PolarHBondContact OH-NH1 2.71Å; Y286-E305 WeakPolarHBondContact CE2-OE1 3.14Å; Y286-E305 PolarHBondContact OH-OE1 3.45Å; Y286-V306 HydrophobicContact CE1-CB 4.49Å; Y286-V306 HydrophobicContact CE1-CG1 4.42Å; Y286-V306 HydrophobicContact CE1-CG2 4.13Å; Y286-M309 HydrophobicContact CD1-CB 4.14Å; Y286-M309 HydrophobicContact CD1-CG 4.26Å; Y286-M309 HydrophobicContact CD2-CE 4.06Å; Y286-M309 HydrophobicContact CD2-CG 3.96Å; Y286-M309 HydrophobicContact CE1-CB 4.38Å; Y286-M309 HydrophobicContact CE1-CG 4.33Å; Y286-M309 HydrophobicContact CE2-CG 4.01Å; Y286-M309 HydrophobicContact CG-CB 4.28Å; Y286-M309 HydrophobicContact CG-CE 4.05Å; Y286-M309 HydrophobicContact CG-CG 4.07Å
287	R	98.6	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.			trans	-94	125.7	172.2	58.1	177.8	177.6	85	-4.6	111.6	N224 Y226 M228 H289 G290 H291 Y300 R301	N224-R287 HydrophobicContact CB-CG 4.24Å; Y226-R287 VanDerWaalsContact CB-NH2 3.3Å; M228-R287 PolarHBondContact O-NH2 3.03Å; R287-H289 PolarHBondContact NH1-O 3.4Å; R287-G290 VanDerWaalsContact NH1-CA 3.28Å; R287-G290 PolarHBondContact NH1-O 3.32Å; R287-H291 VanDerWaalsContact NH1-N 3.12Å; R287-Y300 PolarHBondContact NH1-OH 3.4Å; R287-Y300 VanDerWaalsContact NH1-OH 3.09Å; R287-Y300 PolarHBondContact NH2-OH 2.66Å; R287-Y300 VanDerWaalsContact NH2-OH 3.08Å; R287-R301 PolarHBondContact O-NH1 2.91Å; R287-R301 PolarHBondContact O-NH2 2.88Å
288	Y	98.3	Very high	97.7	Very high	12 Å²	12	24.1 Å²	24.1	5%	0.047	14%	0.141	C	C	.	.	S	Bend	trans	-77.3	-31.7	-179.9	-62.6	-29.9	0	0	0	114.2	S94 G95 Y286 R310 D314	S94-Y288 PolarHBondContact O-N 2.79Å; G95-Y288 VanDerWaalsContact CA-CE2 3.44Å; Y286-Y288 HydrophobicContact CD1-CD1 4.14Å; Y288-R310 HydrophobicContact CD1-CB 4.39Å; Y288-R310 HydrophobicContact CE1-CB 3.92Å; Y288-R310 HydrophobicContact CE1-CG 4.34Å; Y288-R310 HydrophobicContact CE2-CG 4.14Å; Y288-D314 WeakPolarHBondContact CE2-OD2 3.35Å; Y288-D314 WeakPolarHBondContact OH-CA 3.02Å; Y288-D314 VanDerWaalsContact OH-CB 3.26Å; Y288-D314 WeakPolarHBondContact OH-CB 3.2Å; Y288-D314 PolarHBondContact OH-OD2 2.88Å
289	H	97.6	Very high	97.6	Very high	60 Å²	60	29.2 Å²	29.2	28%	0.278	18%	0.176	S	C	.	.	S	Bend	trans	-85.3	165.1	174.5	-64.7	95.3	0	0	0	110.3	L92 R287 R301	L92-H289 HydrophobicContact CB-CB 4.42Å; L92-H289 HydrophobicContact CD1-CB 4.45Å; R287-H289 PolarHBondContact NH1-O 3.4Å; H289-R301 VanDerWaalsContact C-NH2 3.31Å; H289-R301 PolarHBondContact O-NH2 3.35Å
290	G	97.8	Very high	97.6	Very high	5 Å²	5	31.1 Å²	31.1	5%	0.052	18%	0.184	C	C	.	.			trans	-58.1	-174.4	167.4	0	0	0	0	0	112.3	R287 S292 D295	R287-G290 VanDerWaalsContact NH1-CA 3.28Å; R287-G290 PolarHBondContact NH1-O 3.32Å; G290-S292 VanDerWaalsContact C-N 3.32Å; G290-S292 PolarHBondContact O-N 3Å; G290-D295 WeakPolarHBondContact CA-O 3.47Å
291	H	98.5	Very high	97.5	Very high	23 Å²	23	31.8 Å²	31.8	11%	0.106	19%	0.186	C	C	.	.	S	Bend	trans	-56.9	-51.1	-176	-179.7	63	0	0	0	111	H91 Y117 R118 M228 R287 D295	H91-H291 PolarHBondContact CD2-O 3.38Å; Y117-H291 AromaticContact CE2-CE1 3.9Å; Y117-H291 AromaticContact CZ-CE1 3.82Å; Y117-H291 PolarHBondContact OH-CE1 2.88Å; R118-H291 PolarHBondContact NH1-O 2.74Å; R118-H291 PolarHBondContact NH2-O 2.76Å; M228-H291 WeakPolarHBondContact CA-ND1 3.22Å; M228-H291 HydrophobicContact CG-CB 4.13Å; R287-H291 VanDerWaalsContact NH1-N 3.12Å; H291-D295 HydrophobicContact CB-CB 4.11Å; H291-D295 WeakPolarHBondContact CB-OD2 3.25Å; H291-D295 PolarHBondContact N-OD2 2.94Å
292	S	97.4	Very high	97.4	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.063	21%	0.208	C	C	.	.	S	Bend	trans	-136.4	177.2	173.2	68.1	0	0	0	0	108.8	C90 G290 S294 D295	C90-S292 CarbonylContact O-C 3.58Å; C90-S292 WeakPolarHBondContact O-CA 3.49Å; G290-S292 VanDerWaalsContact C-N 3.32Å; G290-S292 PolarHBondContact O-N 3Å; S292-S294 PolarHBondContact O-N 2.55Å; S292-S294 VanDerWaalsContact O-N 3.11Å; S292-S294 PolarHBondContact OG-N 3.22Å; S292-S294 PolarHBondContact OG-OG 3.09Å; S292-D295 PolarHBondContact O-N 2.94Å
293	M	97.1	Very high	97.3	Very high	38 Å²	38	43.4 Å²	43.4	19%	0.187	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16	175.8	-70	-57.2	-62.5	0	0	114.9	G78 Y81 K82 C90 L92	G78-M293 WeakPolarHBondContact O-CE 3.28Å; Y81-M293 HydrophobicContact CD1-CB 3.39Å; Y81-M293 HydrophobicContact CD1-CE 4.11Å; Y81-M293 HydrophobicContact CD1-CG 3.91Å; Y81-M293 HydrophobicContact CD2-CB 3.85Å; Y81-M293 HydrophobicContact CD2-CG 3.93Å; Y81-M293 HydrophobicContact CE1-CB 3.4Å; Y81-M293 HydrophobicContact CE1-CG 4.37Å; Y81-M293 HydrophobicContact CE2-CB 3.86Å; Y81-M293 HydrophobicContact CE2-CG 4.39Å; Y81-M293 HydrophobicContact CG-CB 3.63Å; Y81-M293 HydrophobicContact CG-CE 4.34Å; Y81-M293 HydrophobicContact CG-CG 3.68Å; K82-M293 HydrophobicContact CG-CE 4.3Å; C90-M293 HydrophobicContact CB-CB 4.34Å; C90-M293 HydrophobicContact CB-CG 3.74Å; C90-M293 PolarHBondContact O-N 3.47Å; L92-M293 HydrophobicContact CD1-SD 3.52Å; L92-M293 VanDerWaalsContact CD1-SD 3.52Å; L92-M293 HydrophobicContact CG-SD 3.97Å
294	S	94.3	Very high	97.3	Very high	87 Å²	87	49.3 Å²	49.3	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.1	173.2	64.9	0	0	0	0	113.5	S292	S292-S294 PolarHBondContact O-N 2.55Å; S292-S294 VanDerWaalsContact O-N 3.11Å; S292-S294 PolarHBondContact OG-N 3.22Å; S292-S294 PolarHBondContact OG-OG 3.09Å
295	D	96.9	Very high	97.2	Very high	29 Å²	29	49.8 Å²	49.8	16%	0.155	27%	0.268	C	S	.	.			trans	-106.8	113.8	179	173	25.9	0	0	0	110.3	G290 H291 S292 G297 Y300	G290-D295 WeakPolarHBondContact CA-O 3.47Å; H291-D295 HydrophobicContact CB-CB 4.11Å; H291-D295 WeakPolarHBondContact CB-OD2 3.25Å; H291-D295 PolarHBondContact N-OD2 2.94Å; S292-D295 PolarHBondContact O-N 2.94Å; D295-G297 PolarHBondContact O-N 2.78Å; D295-G297 WeakPolarHBondContact OD1-CA 3.39Å; D295-G297 PolarHBondContact OD1-N 3.43Å; D295-Y300 WeakPolarHBondContact OD2-CE1 3.45Å; D295-Y300 PolarHBondContact OD2-OH 3.4Å
296	P	95.3	Very high	97.2	Very high	104 Å²	104	50.7 Å²	50.7	68%	0.675	27%	0.274	S	S	*	.			trans	-62.6	-23.4	173.7	-23.1	34.5	0	0	0	113.7	T298	P296-T298 VanDerWaalsContact C-N 3.33Å; P296-T298 PolarHBondContact O-N 3.18Å
297	G	95.8	Very high	97.1	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.031	30%	0.296	C	S	.	.	S	Bend	trans	71.9	19.9	178.5	0	0	0	0	0	115.3	D295 Y300 R301	D295-G297 PolarHBondContact O-N 2.78Å; D295-G297 WeakPolarHBondContact OD1-CA 3.39Å; D295-G297 PolarHBondContact OD1-N 3.43Å; G297-Y300 WeakPolarHBondContact CA-OH 3.33Å; G297-R301 WeakPolarHBondContact O-CG 3.5Å; G297-R301 PolarHBondContact O-NE 3.44Å
298	T	95.2	Very high	97.1	Very high	75 Å²	75	58.9 Å²	58.9	46%	0.46	32%	0.32	S	S	.	.			trans	-109	-4.6	-177.3	57.4	0	0	0	0	114.3	P296 R301 R303	P296-T298 VanDerWaalsContact C-N 3.33Å; P296-T298 PolarHBondContact O-N 3.18Å; T298-R301 CarbonylContact C-O 3.55Å; T298-R303 HydrophobicContact CG2-CG 4.07Å
299	S	96.6	Very high	97	Very high	107 Å²	107	60.5 Å²	60.5	75%	0.748	33%	0.329	S	S	*	.	S	Bend	trans	-85.1	-16.8	-179.7	54.6	0	0	0	0	113.8
300	Y	97.6	Very high	97	Very high	41 Å²	41	63.4 Å²	63.4	16%	0.161	34%	0.337	C	S	.	.	S	Bend	trans	-128.8	2	-173.9	54.3	-99.3	0	0	0	114	Y226 M228 G229 R287 D295 G297	Y226-Y300 AromaticContact CD1-CD2 3.65Å; Y226-Y300 HydrophobicContact CD1-CD2 3.65Å; Y226-Y300 HydrophobicContact CD1-CE2 4.01Å; Y226-Y300 AromaticContact CE1-CD2 3.92Å; Y226-Y300 HydrophobicContact CE1-CD2 3.92Å; Y226-Y300 HydrophobicContact CG-CD2 4.21Å; Y226-Y300 HydrophobicContact CG-CE2 4.1Å; M228-Y300 VanDerWaalsContact O-CZ 3.31Å; M228-Y300 PolarHBondContact O-OH 2.96Å; G229-Y300 VanDerWaalsContact CA-CD1 3.49Å; G229-Y300 VanDerWaalsContact O-CB 3.27Å; G229-Y300 WeakPolarHBondContact O-CB 3.48Å; R287-Y300 PolarHBondContact NH1-OH 3.4Å; R287-Y300 VanDerWaalsContact NH1-OH 3.09Å; R287-Y300 PolarHBondContact NH2-OH 2.66Å; R287-Y300 VanDerWaalsContact NH2-OH 3.08Å; D295-Y300 WeakPolarHBondContact OD2-CE1 3.45Å; D295-Y300 PolarHBondContact OD2-OH 3.4Å; G297-Y300 WeakPolarHBondContact CA-OH 3.33Å
301	R	97.5	Very high	97	Very high	14 Å²	14	71.6 Å²	71.6	5%	0.053	37%	0.367	C	S	.	.	S	Bend	trans	-159.1	155.2	175.9	61.1	-178.1	-178.5	171.7	3.6	109.8	Y226 Y286 R287 H289 G297 T298	Y226-R301 HydrophobicContact CE1-CB 4.15Å; Y226-R301 HydrophobicContact CE2-CB 4.28Å; Y226-R301 WeakPolarHBondContact OH-CB 3.39Å; Y286-R301 VanDerWaalsContact CE1-NH1 3.33Å; Y286-R301 WeakPolarHBondContact OH-CD 3.3Å; Y286-R301 PolarHBondContact OH-NH1 2.71Å; R287-R301 PolarHBondContact O-NH1 2.91Å; R287-R301 PolarHBondContact O-NH2 2.88Å; H289-R301 VanDerWaalsContact C-NH2 3.31Å; H289-R301 PolarHBondContact O-NH2 3.35Å; G297-R301 WeakPolarHBondContact O-CG 3.5Å; G297-R301 PolarHBondContact O-NE 3.44Å; T298-R301 CarbonylContact C-O 3.55Å
302	T	97.5	Very high	96.9	Very high	75 Å²	75	72.8 Å²	72.8	46%	0.46	39%	0.385	S	S	.	.			trans	-85.2	157.1	-175.9	66.2	0	0	0	0	111.7	E304 E305 V306	T302-E304 WeakPolarHBondContact CB-OE2 3.47Å; T302-E304 PolarHBondContact O-N 3.45Å; T302-E305 PolarHBondContact O-N 3.44Å; T302-E305 WeakPolarHBondContact OG1-CB 3.34Å; T302-E305 PolarHBondContact OG1-N 3.23Å; T302-V306 PolarHBondContact O-N 3.45Å
303	R	96.4	Very high	96.9	Very high	172 Å²	172	76.3 Å²	76.3	65%	0.649	40%	0.397	S	S	*	.	H	α-helix	trans	-66	-32.8	172.6	-70.5	-178.8	176.9	178.3	0.4	110.6	T298 V306 Q307	T298-R303 HydrophobicContact CG2-CG 4.07Å; R303-V306 PolarHBondContact O-N 2.8Å; R303-Q307 WeakPolarHBondContact O-CB 3.4Å; R303-Q307 WeakPolarHBondContact O-CG 3.35Å; R303-Q307 PolarHBondContact O-N 3.38Å
304	E	97.8	Very high	97	Very high	126 Å²	126	75.1 Å²	75.1	59%	0.589	39%	0.391	S	S	*	.	H	α-helix	trans	-63.4	-41.8	178.2	-67	64.6	-141	0	0	111.3	T302 Q307 S308	T302-E304 WeakPolarHBondContact CB-OE2 3.47Å; T302-E304 PolarHBondContact O-N 3.45Å; E304-Q307 PolarHBondContact O-N 3.04Å; E304-S308 WeakPolarHBondContact O-CB 3.42Å; E304-S308 PolarHBondContact O-N 3.35Å
305	E	98	Very high	97.2	Very high	61 Å²	61	71 Å²	71	29%	0.285	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-52.5	173.9	-178.5	-169.7	135.3	0	0	110.8	Y226 Y286 T302 Q307 S308 M309	Y226-E305 WeakPolarHBondContact CE2-OE1 3.48Å; Y226-E305 VanDerWaalsContact OH-CD 3.24Å; Y226-E305 PolarHBondContact OH-OE1 2.83Å; Y226-E305 PolarHBondContact OH-OE2 3.32Å; Y286-E305 WeakPolarHBondContact CE2-OE1 3.14Å; Y286-E305 PolarHBondContact OH-OE1 3.45Å; T302-E305 PolarHBondContact O-N 3.44Å; T302-E305 WeakPolarHBondContact OG1-CB 3.34Å; T302-E305 PolarHBondContact OG1-N 3.23Å; E305-Q307 VanDerWaalsContact C-N 3.34Å; E305-Q307 PolarHBondContact O-N 3.14Å; E305-S308 WeakPolarHBondContact O-CB 3.38Å; E305-S308 PolarHBondContact O-N 2.93Å; E305-M309 WeakPolarHBondContact O-CG 3.41Å; E305-M309 PolarHBondContact O-N 2.8Å
306	V	97.9	Very high	97.3	Very high	21 Å²	21	69.9 Å²	69.9	13%	0.127	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-43.1	-179.1	-179.4	0	0	0	0	111.1	Y286 T302 R303 M309 R310	Y286-V306 HydrophobicContact CE1-CB 4.49Å; Y286-V306 HydrophobicContact CE1-CG1 4.42Å; Y286-V306 HydrophobicContact CE1-CG2 4.13Å; T302-V306 PolarHBondContact O-N 3.45Å; R303-V306 PolarHBondContact O-N 2.8Å; V306-M309 PolarHBondContact O-N 3.12Å; V306-R310 WeakPolarHBondContact O-CB 3.08Å; V306-R310 PolarHBondContact O-N 2.94Å
307	Q	97.6	Very high	97.4	Very high	101 Å²	101	67.3 Å²	67.3	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-68	-37.7	177.8	-75.9	-165.9	-3	0	0	112.7	R303 E304 E305 R310 R311	R303-Q307 WeakPolarHBondContact O-CB 3.4Å; R303-Q307 WeakPolarHBondContact O-CG 3.35Å; R303-Q307 PolarHBondContact O-N 3.38Å; E304-Q307 PolarHBondContact O-N 3.04Å; E305-Q307 VanDerWaalsContact C-N 3.34Å; E305-Q307 PolarHBondContact O-N 3.14Å; Q307-R310 PolarHBondContact O-N 3.17Å; Q307-R311 WeakPolarHBondContact O-CB 3.41Å; Q307-R311 WeakPolarHBondContact O-CG 3.44Å; Q307-R311 PolarHBondContact O-N 3.37Å
308	S	97.7	Very high	97.5	Very high	73 Å²	73	70.4 Å²	70.4	51%	0.51	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-48.2	174.9	-172.5	0	0	0	0	110.5	E304 E305 R310 R311 G312	E304-S308 WeakPolarHBondContact O-CB 3.42Å; E304-S308 PolarHBondContact O-N 3.35Å; E305-S308 WeakPolarHBondContact O-CB 3.38Å; E305-S308 PolarHBondContact O-N 2.93Å; S308-R310 PolarHBondContact O-N 3.24Å; S308-R311 PolarHBondContact O-N 3.35Å; S308-G312 PolarHBondContact O-N 3.06Å
309	M	97.5	Very high	97.7	Very high	47 Å²	47	67.2 Å²	67.2	23%	0.232	34%	0.339	C	S	.	.	H	α-helix	trans	-57.1	-47.4	174.4	-73.3	-57.1	-63.6	0	0	111.7	Y286 E305 V306 R313	Y286-M309 HydrophobicContact CD1-CB 4.14Å; Y286-M309 HydrophobicContact CD1-CG 4.26Å; Y286-M309 HydrophobicContact CD2-CE 4.06Å; Y286-M309 HydrophobicContact CD2-CG 3.96Å; Y286-M309 HydrophobicContact CE1-CB 4.38Å; Y286-M309 HydrophobicContact CE1-CG 4.33Å; Y286-M309 HydrophobicContact CE2-CG 4.01Å; Y286-M309 HydrophobicContact CG-CB 4.28Å; Y286-M309 HydrophobicContact CG-CE 4.05Å; Y286-M309 HydrophobicContact CG-CG 4.07Å; E305-M309 WeakPolarHBondContact O-CG 3.41Å; E305-M309 PolarHBondContact O-N 2.8Å; V306-M309 PolarHBondContact O-N 3.12Å; M309-R313 HydrophobicContact CE-CB 4.15Å; M309-R313 HydrophobicContact CE-CG 4.41Å; M309-R313 CarbonylContact O-C 3.5Å; M309-R313 WeakPolarHBondContact O-CA 3.33Å; M309-R313 WeakPolarHBondContact O-CB 3.31Å; M309-R313 PolarHBondContact O-N 2.49Å
310	R	97.4	Very high	97.7	Very high	120 Å²	120	63.5 Å²	63.5	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-65.2	-40.9	178.9	-173.3	-177.3	-69.7	-160.1	-0.7	112.9	Y288 V306 Q307 S308 D314	Y288-R310 HydrophobicContact CD1-CB 4.39Å; Y288-R310 HydrophobicContact CE1-CB 3.92Å; Y288-R310 HydrophobicContact CE1-CG 4.34Å; Y288-R310 HydrophobicContact CE2-CG 4.14Å; V306-R310 WeakPolarHBondContact O-CB 3.08Å; V306-R310 PolarHBondContact O-N 2.94Å; Q307-R310 PolarHBondContact O-N 3.17Å; S308-R310 PolarHBondContact O-N 3.24Å; R310-D314 WeakPolarHBondContact O-CB 3.2Å
311	R	96.9	Very high	97.7	Very high	178 Å²	178	68 Å²	68	67%	0.672	33%	0.33	S	S	*	.	H	α-helix	trans	-73.3	-39.6	-178.4	-74.8	-172	-64.5	-105.6	-3.1	112.6	Q307 S308	Q307-R311 WeakPolarHBondContact O-CB 3.41Å; Q307-R311 WeakPolarHBondContact O-CG 3.44Å; Q307-R311 PolarHBondContact O-N 3.37Å; S308-R311 PolarHBondContact O-N 3.35Å
312	G	96.8	Very high	97.6	Very high	48 Å²	48	69.2 Å²	69.2	50%	0.495	34%	0.341	S	S	.	.	H	α-helix	trans	-92.9	-25.5	-173.5	0	0	0	0	0	114.5	S308	S308-G312 PolarHBondContact O-N 3.06Å
313	R	97.7	Very high	97.6	Very high	83 Å²	83	65.6 Å²	65.6	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-135.5	14.9	-165.1	-62.7	-81.9	-74.5	162.2	4.6	114	D254 M256 M309	D254-R313 IonicContact OD1-CZ 2.85Å; D254-R313 IonicContact OD1-NH1 3.95Å; D254-R313 IonicContact OD1-NH2 3.96Å; D254-R313 PolarHBondContact OD1-NH2 2.77Å; D254-R313 IonicContact OD2-CZ 2.63Å; D254-R313 IonicContact OD2-NH1 3.8Å; D254-R313 PolarHBondContact OD2-NH1 2.91Å; D254-R313 IonicContact OD2-NH2 3.56Å; D254-R313 PolarHBondContact OD2-NH2 2.96Å; M256-R313 HydrophobicContact CE-CB 4.46Å; M256-R313 WeakPolarHBondContact CE-O 3.49Å; M256-R313 HydrophobicContact CG-CB 4.49Å; M309-R313 HydrophobicContact CE-CB 4.15Å; M309-R313 HydrophobicContact CE-CG 4.41Å; M309-R313 CarbonylContact O-C 3.5Å; M309-R313 WeakPolarHBondContact O-CA 3.33Å; M309-R313 WeakPolarHBondContact O-CB 3.31Å; M309-R313 PolarHBondContact O-N 2.49Å
314	D	98.7	Very high	97.6	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.064	30%	0.299	C	S	.	.			trans	-61.9	127.3	179.3	179.8	-90	0	0	0	112	R71 Y288 R310 I316 A317 L318	R71-D314 IonicContact CZ-OD2 3.21Å; R71-D314 VanDerWaalsContact CZ-OD2 3.28Å; R71-D314 IonicContact NH1-OD1 3.99Å; R71-D314 IonicContact NH1-OD2 2.72Å; R71-D314 PolarHBondContact NH1-OD2 3.17Å; R71-D314 IonicContact NH2-OD1 3.23Å; R71-D314 IonicContact NH2-OD2 2.81Å; R71-D314 PolarHBondContact NH2-OD2 3.4Å; Y288-D314 WeakPolarHBondContact CE2-OD2 3.35Å; Y288-D314 WeakPolarHBondContact OH-CA 3.02Å; Y288-D314 VanDerWaalsContact OH-CB 3.26Å; Y288-D314 WeakPolarHBondContact OH-CB 3.2Å; Y288-D314 PolarHBondContact OH-OD2 2.88Å; R310-D314 WeakPolarHBondContact O-CB 3.2Å; D314-I316 PolarHBondContact O-N 3.43Å; D314-I316 WeakPolarHBondContact OD1-CA 3.32Å; D314-I316 VanDerWaalsContact OD1-CB 3.27Å; D314-I316 WeakPolarHBondContact OD1-CB 3.34Å; D314-I316 PolarHBondContact OD1-N 3.1Å; D314-A317 HydrophobicContact CB-CB 4.06Å; D314-A317 PolarHBondContact O-N 3.12Å; D314-A317 PolarHBondContact OD1-N 3.22Å; D314-L318 WeakPolarHBondContact O-CB 3.11Å; D314-L318 VanDerWaalsContact O-CG 3.28Å; D314-L318 WeakPolarHBondContact O-CG 3.13Å; D314-L318 PolarHBondContact O-N 2.79Å
315	P	98.7	Very high	97.6	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.013	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-29.1	-170.7	25.8	-31.9	0	0	0	112.1	E97 A98 M256 F319	E97-P315 HydrophobicContact CB-CG 4.46Å; E97-P315 WeakPolarHBondContact OE2-CG 3.48Å; A98-P315 HydrophobicContact CB-CB 3.59Å; M256-P315 HydrophobicContact CE-CG 4.39Å; M256-P315 WeakPolarHBondContact O-CA 3.44Å; M256-P315 WeakPolarHBondContact O-CB 3.44Å; P315-F319 VanDerWaalsContact O-CB 3.22Å; P315-F319 WeakPolarHBondContact O-CB 3.45Å; P315-F319 PolarHBondContact O-N 3.13Å; P315-F319 VanDerWaalsContact O-N 3.13Å
316	I	98.7	Very high	97.4	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-74.6	-49.4	178.8	-46.9	-165.8	0	0	0	109.3	L64 L67 H68 R71 D314 L318 F319 Q320	L64-I316 HydrophobicContact CD1-CG2 4.08Å; L67-I316 HydrophobicContact CB-CD1 4.1Å; L67-I316 HydrophobicContact CB-CG1 4.01Å; L67-I316 WeakPolarHBondContact O-CD1 3.32Å; H68-I316 WeakPolarHBondContact NE2-CG2 3.26Å; R71-I316 HydrophobicContact CB-CD1 3.62Å; R71-I316 HydrophobicContact CG-CD1 4.02Å; D314-I316 PolarHBondContact O-N 3.43Å; D314-I316 WeakPolarHBondContact OD1-CA 3.32Å; D314-I316 VanDerWaalsContact OD1-CB 3.27Å; D314-I316 WeakPolarHBondContact OD1-CB 3.34Å; D314-I316 PolarHBondContact OD1-N 3.1Å; I316-L318 PolarHBondContact O-N 3.28Å; I316-F319 PolarHBondContact O-N 3.39Å; I316-Q320 HydrophobicContact CG2-CG 4.24Å; I316-Q320 VanDerWaalsContact O-CB 3.3Å; I316-Q320 WeakPolarHBondContact O-CB 3.19Å; I316-Q320 WeakPolarHBondContact O-CG 3.1Å; I316-Q320 PolarHBondContact O-N 3.48Å
317	A	98.1	Very high	97.3	Very high	51 Å²	51	58.1 Å²	58.1	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-43.2	179.6	0	0	0	0	0	112.1	D314 K321	D314-A317 HydrophobicContact CB-CB 4.06Å; D314-A317 PolarHBondContact O-N 3.12Å; D314-A317 PolarHBondContact OD1-N 3.22Å; A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 3.07Å
318	L	97.8	Very high	97.3	Very high	68 Å²	68	53.3 Å²	53.3	36%	0.356	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-49	175.9	-72.2	178.1	0	0	0	111.2	D314 I316 K321 S322	D314-L318 WeakPolarHBondContact O-CB 3.11Å; D314-L318 VanDerWaalsContact O-CG 3.28Å; D314-L318 WeakPolarHBondContact O-CG 3.13Å; D314-L318 PolarHBondContact O-N 2.79Å; I316-L318 PolarHBondContact O-N 3.28Å; L318-K321 PolarHBondContact O-N 2.97Å; L318-S322 WeakPolarHBondContact O-CB 3.31Å; L318-S322 PolarHBondContact O-N 3.45Å
319	F	98.2	Very high	97.2	Very high	7 Å²	7	50 Å²	50	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-43.7	-178.2	-172.3	-119.6	0	0	0	112.5	A60 Y63 L64 L67 I258 L259 P315 I316 K321 S322 I323	A60-F319 HydrophobicContact CB-CZ 4.25Å; A60-F319 WeakPolarHBondContact O-CE1 3.22Å; Y63-F319 HydrophobicContact CD2-CZ 4.08Å; L64-F319 HydrophobicContact CB-CD1 4.38Å; L64-F319 HydrophobicContact CB-CE1 4.25Å; L67-F319 HydrophobicContact CD1-CB 4.2Å; L67-F319 HydrophobicContact CD1-CD1 3.75Å; L67-F319 HydrophobicContact CD1-CG 4.26Å; I258-F319 HydrophobicContact CG2-CB 4.15Å; I258-F319 HydrophobicContact CG2-CD1 4.3Å; I258-F319 HydrophobicContact CG2-CD2 3.2Å; I258-F319 HydrophobicContact CG2-CE2 3.52Å; I258-F319 HydrophobicContact CG2-CG 3.63Å; I258-F319 HydrophobicContact CG2-CZ 4.18Å; L259-F319 HydrophobicContact CD1-CE2 4.34Å; L259-F319 HydrophobicContact CD2-CE2 4.21Å; L259-F319 HydrophobicContact CG-CE2 4.07Å; P315-F319 VanDerWaalsContact O-CB 3.22Å; P315-F319 WeakPolarHBondContact O-CB 3.45Å; P315-F319 PolarHBondContact O-N 3.13Å; P315-F319 VanDerWaalsContact O-N 3.13Å; I316-F319 PolarHBondContact O-N 3.39Å; F319-K321 PolarHBondContact O-N 3.18Å; F319-S322 WeakPolarHBondContact O-CB 3.17Å; F319-S322 PolarHBondContact O-N 3.35Å; F319-I323 HydrophobicContact CD1-CD1 4.5Å; F319-I323 HydrophobicContact CD1-CG2 4.44Å; F319-I323 HydrophobicContact CD2-CG2 4.01Å; F319-I323 HydrophobicContact CE1-CD1 4.27Å; F319-I323 HydrophobicContact CE1-CG2 4.05Å; F319-I323 HydrophobicContact CE2-CG2 3.59Å; F319-I323 HydrophobicContact CG-CG2 4.43Å; F319-I323 HydrophobicContact CZ-CG2 3.62Å; F319-I323 WeakPolarHBondContact O-CG1 3.44Å; F319-I323 WeakPolarHBondContact O-CG2 3.27Å; F319-I323 PolarHBondContact O-N 3.36Å
320	Q	97.7	Very high	97.1	Very high	30 Å²	30	49.4 Å²	49.4	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-54.3	-51.3	174.5	-78.8	176	-34	0	0	111.6	L64 H68 I316 S322 I323 V324 V334	L64-Q320 HydrophobicContact CD1-CG 3.33Å; L64-Q320 HydrophobicContact CD2-CG 4.12Å; L64-Q320 HydrophobicContact CG-CG 4.39Å; H68-Q320 PolarHBondContact NE2-NE2 3.17Å; I316-Q320 HydrophobicContact CG2-CG 4.24Å; I316-Q320 VanDerWaalsContact O-CB 3.3Å; I316-Q320 WeakPolarHBondContact O-CB 3.19Å; I316-Q320 WeakPolarHBondContact O-CG 3.1Å; I316-Q320 PolarHBondContact O-N 3.48Å; Q320-S322 VanDerWaalsContact C-N 3.3Å; Q320-S322 PolarHBondContact O-N 2.81Å; Q320-I323 WeakPolarHBondContact O-CG1 3.38Å; Q320-I323 PolarHBondContact O-N 3.43Å; Q320-V324 WeakPolarHBondContact O-CB 3.33Å; Q320-V324 VanDerWaalsContact O-CG2 3.26Å; Q320-V324 WeakPolarHBondContact O-CG2 3.48Å; Q320-V324 PolarHBondContact O-N 2.91Å; Q320-V334 HydrophobicContact CG-CG1 3.98Å
321	K	96.9	Very high	97.1	Very high	134 Å²	134	48.3 Å²	48.3	58%	0.583	25%	0.254	S	S	*	.	H	α-helix	trans	-57.3	-48.8	177.6	-180	180	176.8	-172.4	0	110.4	A317 L318 F319 I323 V324 D325	A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 3.07Å; L318-K321 PolarHBondContact O-N 2.97Å; F319-K321 PolarHBondContact O-N 3.18Å; K321-I323 PolarHBondContact O-N 2.86Å; K321-V324 PolarHBondContact O-N 3.29Å; K321-D325 WeakPolarHBondContact CE-OD2 3.35Å; K321-D325 VanDerWaalsContact CG-OD2 3.29Å; K321-D325 WeakPolarHBondContact CG-OD2 3.48Å; K321-D325 VanDerWaalsContact O-CB 3.3Å; K321-D325 WeakPolarHBondContact O-CB 3.21Å; K321-D325 PolarHBondContact O-N 3Å
322	S	96.2	Very high	97.1	Very high	40 Å²	40	44.8 Å²	44.8	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-58	-47.3	-178	-168.2	0	0	0	0	112.8	F35 L318 F319 Q320 N326	F35-S322 WeakPolarHBondContact CD1-OG 3.45Å; F35-S322 WeakPolarHBondContact CE1-OG 3.45Å; L318-S322 WeakPolarHBondContact O-CB 3.31Å; L318-S322 PolarHBondContact O-N 3.45Å; F319-S322 WeakPolarHBondContact O-CB 3.17Å; F319-S322 PolarHBondContact O-N 3.35Å; Q320-S322 VanDerWaalsContact C-N 3.3Å; Q320-S322 PolarHBondContact O-N 2.81Å; S322-N326 WeakPolarHBondContact O-CB 3.32Å; S322-N326 PolarHBondContact O-N 3.39Å; S322-N326 PolarHBondContact O-ND2 2.82Å
323	I	97.2	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-75.3	-27.8	-177.2	67.5	174.2	0	0	0	113	F35 A60 L64 F319 Q320 K321 G327 L328 C329	F35-I323 HydrophobicContact CE1-CG2 4.44Å; F35-I323 HydrophobicContact CZ-CG2 4.28Å; A60-I323 HydrophobicContact CB-CB 4.4Å; A60-I323 HydrophobicContact CB-CD1 4.38Å; A60-I323 HydrophobicContact CB-CG2 3.91Å; L64-I323 HydrophobicContact CB-CD1 4.35Å; L64-I323 HydrophobicContact CD2-CD1 3.95Å; F319-I323 HydrophobicContact CD1-CD1 4.5Å; F319-I323 HydrophobicContact CD1-CG2 4.44Å; F319-I323 HydrophobicContact CD2-CG2 4.01Å; F319-I323 HydrophobicContact CE1-CD1 4.27Å; F319-I323 HydrophobicContact CE1-CG2 4.05Å; F319-I323 HydrophobicContact CE2-CG2 3.59Å; F319-I323 HydrophobicContact CG-CG2 4.43Å; F319-I323 HydrophobicContact CZ-CG2 3.62Å; F319-I323 WeakPolarHBondContact O-CG1 3.44Å; F319-I323 WeakPolarHBondContact O-CG2 3.27Å; F319-I323 PolarHBondContact O-N 3.36Å; Q320-I323 WeakPolarHBondContact O-CG1 3.38Å; Q320-I323 PolarHBondContact O-N 3.43Å; K321-I323 PolarHBondContact O-N 2.86Å; I323-G327 PolarHBondContact O-N 3.46Å; I323-L328 HydrophobicContact CB-CB 4.26Å; I323-L328 HydrophobicContact CB-CD1 4.36Å; I323-L328 HydrophobicContact CG2-CD1 4.33Å; I323-L328 WeakPolarHBondContact O-CB 3.35Å; I323-L328 PolarHBondContact O-N 3.25Å; I323-C329 VanDerWaalsContact CD1-SG 3.57Å
324	V	97.1	Very high	97	Very high	36 Å²	36	41 Å²	41	22%	0.218	22%	0.222	C	C	.	.	H	α-helix	trans	-73.1	-47.9	173.4	171.4	0	0	0	0	110.6	Q320 K321 N326 G327 C329 V334	Q320-V324 WeakPolarHBondContact O-CB 3.33Å; Q320-V324 VanDerWaalsContact O-CG2 3.26Å; Q320-V324 WeakPolarHBondContact O-CG2 3.48Å; Q320-V324 PolarHBondContact O-N 2.91Å; K321-V324 PolarHBondContact O-N 3.29Å; V324-N326 PolarHBondContact O-N 2.9Å; V324-N326 VanDerWaalsContact O-N 3.16Å; V324-G327 PolarHBondContact O-N 3.48Å; V324-C329 WeakPolarHBondContact CA-O 3.28Å; V324-V334 HydrophobicContact CG2-CG2 3.86Å
325	D	96	Very high	97	Very high	111 Å²	111	45.9 Å²	45.9	59%	0.594	24%	0.242	S	C	*	.	H	α-helix	trans	-60.8	-26	178.8	-71.1	-8.7	0	0	0	111.8	K321	K321-D325 WeakPolarHBondContact CE-OD2 3.35Å; K321-D325 VanDerWaalsContact CG-OD2 3.29Å; K321-D325 WeakPolarHBondContact CG-OD2 3.48Å; K321-D325 VanDerWaalsContact O-CB 3.3Å; K321-D325 WeakPolarHBondContact O-CB 3.21Å; K321-D325 PolarHBondContact O-N 3Å
326	N	95.9	Very high	97	Very high	65 Å²	65	51.1 Å²	51.1	35%	0.348	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	11.7	176.4	-76.4	-83.6	0	0	0	114.3	A33 F35 S322 V324 L328	A33-N326 HydrophobicContact CB-CB 3.77Å; F35-N326 HydrophobicContact CE1-CB 4Å; F35-N326 WeakPolarHBondContact CE1-ND2 3.39Å; F35-N326 HydrophobicContact CZ-CB 3.95Å; S322-N326 WeakPolarHBondContact O-CB 3.32Å; S322-N326 PolarHBondContact O-N 3.39Å; S322-N326 PolarHBondContact O-ND2 2.82Å; V324-N326 PolarHBondContact O-N 2.9Å; V324-N326 VanDerWaalsContact O-N 3.16Å; N326-L328 VanDerWaalsContact C-N 3.25Å; N326-L328 PolarHBondContact O-N 3.41Å
327	G	95.7	Very high	96.9	Very high	10 Å²	10	51.1 Å²	51.1	10%	0.103	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	16.9	173	0	0	0	0	0	115.3	I323 V324	I323-G327 PolarHBondContact O-N 3.46Å; V324-G327 PolarHBondContact O-N 3.48Å
328	L	96.8	Very high	96.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.27	C	S	.	.	S	Bend	trans	-79	-26.4	177.2	-64.4	-174	0	0	0	112.5	C30 A33 F35 R57 A60 I323 N326	C30-L328 HydrophobicContact CB-CD2 4.38Å; A33-L328 HydrophobicContact CB-CD1 4.18Å; A33-L328 HydrophobicContact CB-CD2 3.84Å; A33-L328 HydrophobicContact CB-CG 3.97Å; F35-L328 HydrophobicContact CE2-CD1 3.91Å; F35-L328 HydrophobicContact CZ-CD1 3.62Å; F35-L328 HydrophobicContact CZ-CG 4.45Å; R57-L328 HydrophobicContact CB-CD2 4.28Å; R57-L328 WeakPolarHBondContact CD-O 3.07Å; R57-L328 VanDerWaalsContact CG-O 3.29Å; R57-L328 WeakPolarHBondContact CG-O 3.34Å; R57-L328 VanDerWaalsContact CZ-O 3.24Å; R57-L328 PolarHBondContact NE-O 2.82Å; R57-L328 PolarHBondContact NH1-O 3.01Å; A60-L328 HydrophobicContact CB-CD1 3.77Å; I323-L328 HydrophobicContact CB-CB 4.26Å; I323-L328 HydrophobicContact CB-CD1 4.36Å; I323-L328 HydrophobicContact CG2-CD1 4.33Å; I323-L328 WeakPolarHBondContact O-CB 3.35Å; I323-L328 PolarHBondContact O-N 3.25Å; N326-L328 VanDerWaalsContact C-N 3.25Å; N326-L328 PolarHBondContact O-N 3.41Å
329	C	95.2	Very high	97	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.014	28%	0.279	C	S	.	.	S	Bend	trans	-156	163.2	171.9	63.7	0	0	0	0	111.2	L61 I323 V324 E333	L61-C329 HydrophobicContact CD2-CB 3.86Å; I323-C329 VanDerWaalsContact CD1-SG 3.57Å; V324-C329 WeakPolarHBondContact CA-O 3.28Å; C329-E333 VanDerWaalsContact CA-OE2 3.3Å; C329-E333 WeakPolarHBondContact CA-OE2 3.35Å; C329-E333 HydrophobicContact CB-CB 4.35Å; C329-E333 WeakPolarHBondContact CB-OE2 3.39Å
330	T	96	Very high	97	Very high	36 Å²	36	61 Å²	61	22%	0.221	30%	0.296	C	S	.	.			trans	-86.7	161.7	172.9	64.5	0	0	0	0	112.5	Y26 D332 E333 V334	Y26-T330 HydrophobicContact CD1-CG2 3.8Å; Y26-T330 HydrophobicContact CD2-CG2 3.69Å; Y26-T330 HydrophobicContact CE1-CG2 3.45Å; Y26-T330 VanDerWaalsContact CE1-CG2 3.45Å; Y26-T330 HydrophobicContact CE2-CG2 3.34Å; Y26-T330 HydrophobicContact CG-CG2 3.91Å; T330-D332 PolarHBondContact O-N 2.93Å; T330-D332 PolarHBondContact OG1-N 3.26Å; T330-E333 PolarHBondContact N-OE2 3.37Å; T330-E333 PolarHBondContact O-N 3.03Å; T330-E333 VanDerWaalsContact OG1-CG 3.31Å; T330-E333 WeakPolarHBondContact OG1-CG 3.46Å; T330-E333 PolarHBondContact OG1-N 3.08Å; T330-E333 PolarHBondContact OG1-OE2 2.94Å; T330-V334 WeakPolarHBondContact O-CG2 3.46Å; T330-V334 PolarHBondContact O-N 3.35Å; T330-V334 VanDerWaalsContact O-N 3.11Å
331	Q	96.4	Very high	97	Very high	96 Å²	96	59.6 Å²	59.6	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-27.6	171.1	-166.5	58.3	26.6	0	0	113	K335	Q331-K335 WeakPolarHBondContact O-CG 3.45Å; Q331-K335 PolarHBondContact O-N 3.47Å; Q331-K335 VanDerWaalsContact O-N 3.17Å
332	D	97	Very high	97.1	Very high	105 Å²	105	60.3 Å²	60.3	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-76.8	-36	177.8	-70.7	-24	0	0	0	111.9	T330 V334 K335 E336	T330-D332 PolarHBondContact O-N 2.93Å; T330-D332 PolarHBondContact OG1-N 3.26Å; D332-V334 VanDerWaalsContact C-N 3.3Å; D332-V334 PolarHBondContact O-N 2.87Å; D332-K335 PolarHBondContact O-N 2.93Å; D332-K335 IonicContact OD1-NZ 2.88Å; D332-K335 PolarHBondContact OD1-NZ 2.9Å; D332-E336 PolarHBondContact O-N 3.06Å
333	E	96.3	Very high	97.2	Very high	51 Å²	51	63.3 Å²	63.3	24%	0.238	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-39	169.8	-72.8	173.6	125.7	0	0	111.8	R57 C329 T330 K335 E336 I337	R57-E333 IonicContact CZ-OE1 3.98Å; R57-E333 IonicContact NH2-OE1 2.87Å; R57-E333 PolarHBondContact NH2-OE1 3.09Å; R57-E333 IonicContact NH2-OE2 3.71Å; C329-E333 VanDerWaalsContact CA-OE2 3.3Å; C329-E333 WeakPolarHBondContact CA-OE2 3.35Å; C329-E333 HydrophobicContact CB-CB 4.35Å; C329-E333 WeakPolarHBondContact CB-OE2 3.39Å; T330-E333 PolarHBondContact N-OE2 3.37Å; T330-E333 PolarHBondContact O-N 3.03Å; T330-E333 VanDerWaalsContact OG1-CG 3.31Å; T330-E333 WeakPolarHBondContact OG1-CG 3.46Å; T330-E333 PolarHBondContact OG1-N 3.08Å; T330-E333 PolarHBondContact OG1-OE2 2.94Å; E333-K335 PolarHBondContact O-N 2.88Å; E333-E336 PolarHBondContact O-N 2.94Å; E333-I337 WeakPolarHBondContact O-CG1 3.34Å; E333-I337 PolarHBondContact O-N 3.28Å
334	V	97.7	Very high	97.3	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-45.8	174	171.5	0	0	0	0	111.4	L64 Q320 V324 T330 D332 I337 E338	L64-V334 HydrophobicContact CD2-CG1 4.36Å; L64-V334 HydrophobicContact CD2-CG2 3.95Å; Q320-V334 HydrophobicContact CG-CG1 3.98Å; V324-V334 HydrophobicContact CG2-CG2 3.86Å; T330-V334 WeakPolarHBondContact O-CG2 3.46Å; T330-V334 PolarHBondContact O-N 3.35Å; T330-V334 VanDerWaalsContact O-N 3.11Å; D332-V334 VanDerWaalsContact C-N 3.3Å; D332-V334 PolarHBondContact O-N 2.87Å; V334-I337 PolarHBondContact O-N 3.26Å; V334-E338 PolarHBondContact O-N 3.03Å
335	K	97.9	Very high	97.4	Very high	113 Å²	113	64.5 Å²	64.5	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-39.7	177.1	-68.9	169.6	-167.5	156.2	0	112.2	Q331 D332 E333 I337 E338 K339	Q331-K335 WeakPolarHBondContact O-CG 3.45Å; Q331-K335 PolarHBondContact O-N 3.47Å; Q331-K335 VanDerWaalsContact O-N 3.17Å; D332-K335 PolarHBondContact O-N 2.93Å; D332-K335 IonicContact OD1-NZ 2.88Å; D332-K335 PolarHBondContact OD1-NZ 2.9Å; E333-K335 PolarHBondContact O-N 2.88Å; K335-I337 VanDerWaalsContact C-N 3.34Å; K335-E338 PolarHBondContact O-N 2.98Å; K335-K339 WeakPolarHBondContact O-CB 3.45Å; K335-K339 PolarHBondContact O-N 2.92Å
336	E	98	Very high	97.5	Very high	113 Å²	113	62 Å²	62	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-43.8	174.7	-87.9	-79	128.4	0	0	111.3	D332 E333 K339 R340	D332-E336 PolarHBondContact O-N 3.06Å; E333-E336 PolarHBondContact O-N 2.94Å; E336-K339 PolarHBondContact O-N 3.39Å; E336-R340 VanDerWaalsContact O-CB 3.27Å; E336-R340 WeakPolarHBondContact O-CB 3.36Å; E336-R340 PolarHBondContact O-N 3.11Å
337	I	98.1	Very high	97.6	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-51.2	174.1	-74.1	160.9	0	0	0	110.9	L61 L64 E65 E333 V334 K335 K339 R340 V341	L61-I337 HydrophobicContact CD2-CD1 3.76Å; L64-I337 HydrophobicContact CD2-CD1 4.03Å; L64-I337 HydrophobicContact CG-CG2 4.41Å; E65-I337 HydrophobicContact CG-CG1 4.37Å; E65-I337 HydrophobicContact CG-CG2 3.78Å; E333-I337 WeakPolarHBondContact O-CG1 3.34Å; E333-I337 PolarHBondContact O-N 3.28Å; V334-I337 PolarHBondContact O-N 3.26Å; K335-I337 VanDerWaalsContact C-N 3.34Å; I337-K339 VanDerWaalsContact C-N 3.31Å; I337-K339 PolarHBondContact O-N 3.03Å; I337-R340 PolarHBondContact O-N 2.93Å; I337-V341 HydrophobicContact CG2-CG2 4.31Å; I337-V341 WeakPolarHBondContact O-CB 3.3Å; I337-V341 WeakPolarHBondContact O-CG2 3.4Å; I337-V341 PolarHBondContact O-N 2.77Å
338	E	97.9	Very high	97.7	Very high	104 Å²	104	66.9 Å²	66.9	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-58.5	-45.1	-179.4	-174.5	-178.3	162.5	0	0	111.4	V334 K335 R342	V334-E338 PolarHBondContact O-N 3.03Å; K335-E338 PolarHBondContact O-N 2.98Å; E338-R342 WeakPolarHBondContact O-CB 3.39Å; E338-R342 PolarHBondContact O-N 3.25Å
339	K	98.5	Very high	97.8	Very high	126 Å²	126	67.9 Å²	67.9	55%	0.548	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-45.8	177.2	-177.1	-177.5	174.4	-170.3	0	111.9	K335 E336 I337 R342 I343	K335-K339 WeakPolarHBondContact O-CB 3.45Å; K335-K339 PolarHBondContact O-N 2.92Å; E336-K339 PolarHBondContact O-N 3.39Å; I337-K339 VanDerWaalsContact C-N 3.31Å; I337-K339 PolarHBondContact O-N 3.03Å; K339-R342 PolarHBondContact O-N 3.44Å; K339-I343 HydrophobicContact CG-CD1 4.14Å; K339-I343 WeakPolarHBondContact O-CG1 3.19Å; K339-I343 PolarHBondContact O-N 2.84Å; K339-I343 VanDerWaalsContact O-N 3.09Å
340	R	98.4	Very high	98	Very high	102 Å²	102	74.8 Å²	74.8	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-50	178.4	177.6	174.3	63.2	-110.5	9.3	110.9	E65 E336 I337 R342 I343 E344	E65-R340 IonicContact OE1-CZ 3.68Å; E65-R340 IonicContact OE1-NH2 3.65Å; E65-R340 PolarHBondContact OE1-NH2 2.89Å; E336-R340 VanDerWaalsContact O-CB 3.27Å; E336-R340 WeakPolarHBondContact O-CB 3.36Å; E336-R340 PolarHBondContact O-N 3.11Å; I337-R340 PolarHBondContact O-N 2.93Å; R340-R342 VanDerWaalsContact C-N 3.3Å; R340-R342 PolarHBondContact O-N 2.97Å; R340-I343 PolarHBondContact O-N 2.84Å; R340-E344 WeakPolarHBondContact O-CB 3.45Å; R340-E344 PolarHBondContact O-N 3.19Å
341	V	98.7	Very high	98.1	Very high	2 Å²	2	78 Å²	78	1%	0.012	36%	0.355	C	S	.	.	H	α-helix	trans	-61.5	-40.1	179	169.5	0	0	0	0	111.1	H68 R69 R72 I337 E344 V345	H68-V341 HydrophobicContact CB-CB 4.28Å; H68-V341 HydrophobicContact CB-CG1 3.94Å; H68-V341 HydrophobicContact CB-CG2 4.24Å; R69-V341 HydrophobicContact CB-CG1 4.29Å; R69-V341 HydrophobicContact CG-CG1 3.69Å; R69-V341 HydrophobicContact CG-CG2 4.08Å; R72-V341 HydrophobicContact CB-CG1 4.35Å; I337-V341 HydrophobicContact CG2-CG2 4.31Å; I337-V341 WeakPolarHBondContact O-CB 3.3Å; I337-V341 WeakPolarHBondContact O-CG2 3.4Å; I337-V341 PolarHBondContact O-N 2.77Å; V341-E344 PolarHBondContact O-N 2.84Å; V341-V345 HydrophobicContact CG1-CG2 4.17Å; V341-V345 WeakPolarHBondContact O-CG2 3.25Å; V341-V345 PolarHBondContact O-N 3.12Å
342	R	98.3	Very high	98.2	Very high	149 Å²	149	73.4 Å²	73.4	56%	0.562	33%	0.334	S	S	*	.	H	α-helix	trans	-58.2	-50.9	175.2	178.6	179.4	170.2	-172.6	-2.5	111.9	E338 K339 R340 E344 V345 D346	E338-R342 WeakPolarHBondContact O-CB 3.39Å; E338-R342 PolarHBondContact O-N 3.25Å; K339-R342 PolarHBondContact O-N 3.44Å; R340-R342 VanDerWaalsContact C-N 3.3Å; R340-R342 PolarHBondContact O-N 2.97Å; R342-E344 VanDerWaalsContact C-N 3.34Å; R342-V345 PolarHBondContact O-N 2.94Å; R342-D346 IonicContact NE-OD2 3.83Å; R342-D346 WeakPolarHBondContact O-CB 3.41Å; R342-D346 PolarHBondContact O-N 2.67Å
343	I	98.7	Very high	98.2	Very high	103 Å²	103	70.7 Å²	70.7	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-43	179.7	-66.2	166.5	0	0	0	110.8	K339 R340 K347	K339-I343 HydrophobicContact CG-CD1 4.14Å; K339-I343 WeakPolarHBondContact O-CG1 3.19Å; K339-I343 PolarHBondContact O-N 2.84Å; K339-I343 VanDerWaalsContact O-N 3.09Å; R340-I343 PolarHBondContact O-N 2.84Å; I343-K347 WeakPolarHBondContact O-CB 3.48Å; I343-K347 PolarHBondContact O-N 3.13Å
344	E	98.4	Very high	98.3	Very high	61 Å²	61	72.7 Å²	72.7	29%	0.285	34%	0.338	S	S	.	.	H	α-helix	trans	-56.5	-55.7	176.5	-178	-168.3	140.9	0	0	111	R69 R340 V341 R342 D346 K347 E348	R69-E344 IonicContact CZ-OE1 2.66Å; R69-E344 IonicContact CZ-OE2 3.64Å; R69-E344 IonicContact NE-OE1 2.79Å; R69-E344 PolarHBondContact NE-OE1 3.21Å; R69-E344 IonicContact NE-OE2 3.03Å; R69-E344 PolarHBondContact NE-OE2 2.89Å; R69-E344 IonicContact NH2-OE1 3.28Å; R69-E344 IonicContact NH2-OE2 3.24Å; R69-E344 PolarHBondContact NH2-OE2 3.09Å; R340-E344 WeakPolarHBondContact O-CB 3.45Å; R340-E344 PolarHBondContact O-N 3.19Å; V341-E344 PolarHBondContact O-N 2.84Å; R342-E344 VanDerWaalsContact C-N 3.34Å; E344-D346 PolarHBondContact O-N 3.12Å; E344-K347 PolarHBondContact O-N 2.99Å; E344-E348 WeakPolarHBondContact O-CG 3.39Å; E344-E348 PolarHBondContact O-N 3.09Å
345	V	98.7	Very high	98.3	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.3	-42.3	-177.2	176	0	0	0	0	111.7	R72 I130 V341 R342 K347 E348 V349	R72-V345 HydrophobicContact CB-CB 4.37Å; R72-V345 HydrophobicContact CB-CG1 4.42Å; R72-V345 HydrophobicContact CB-CG2 4.11Å; R72-V345 HydrophobicContact CG-CB 3.63Å; R72-V345 HydrophobicContact CG-CG1 3.74Å; R72-V345 HydrophobicContact CG-CG2 3.91Å; I130-V345 HydrophobicContact CD1-CG2 3.75Å; I130-V345 HydrophobicContact CG2-CG1 4.38Å; V341-V345 HydrophobicContact CG1-CG2 4.17Å; V341-V345 WeakPolarHBondContact O-CG2 3.25Å; V341-V345 PolarHBondContact O-N 3.12Å; R342-V345 PolarHBondContact O-N 2.94Å; V345-K347 VanDerWaalsContact C-N 3.27Å; V345-K347 PolarHBondContact O-N 2.8Å; V345-E348 PolarHBondContact O-N 3.4Å; V345-V349 HydrophobicContact CG1-CG2 4.17Å; V345-V349 WeakPolarHBondContact O-CB 3.24Å; V345-V349 VanDerWaalsContact O-CG2 3.23Å; V345-V349 WeakPolarHBondContact O-CG2 3.37Å; V345-V349 PolarHBondContact O-N 3.43Å
346	D	98.5	Very high	98.3	Very high	57 Å²	57	71.5 Å²	71.5	31%	0.305	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-40.3	179.1	-69.2	-9.9	0	0	0	110.7	R72 R342 E344 V349 E350	R72-D346 IonicContact CZ-OD1 3.36Å; R72-D346 IonicContact NE-OD1 3.18Å; R72-D346 PolarHBondContact NE-OD1 3Å; R72-D346 IonicContact NH2-OD1 2.7Å; R72-D346 PolarHBondContact NH2-OD1 3.26Å; R72-D346 IonicContact NH2-OD2 3.49Å; R72-D346 PolarHBondContact NH2-OD2 3.42Å; R342-D346 IonicContact NE-OD2 3.83Å; R342-D346 WeakPolarHBondContact O-CB 3.41Å; R342-D346 PolarHBondContact O-N 2.67Å; E344-D346 PolarHBondContact O-N 3.12Å; D346-V349 PolarHBondContact O-N 3.13Å; D346-E350 PolarHBondContact O-N 3.26Å
347	K	98.7	Very high	98.2	Very high	134 Å²	134	72.9 Å²	72.9	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-66.5	-44.3	175.5	-176.6	-176.6	177.6	-175.1	0	112.8	I343 E344 V345 V349 E350 K351	I343-K347 WeakPolarHBondContact O-CB 3.48Å; I343-K347 PolarHBondContact O-N 3.13Å; E344-K347 PolarHBondContact O-N 2.99Å; V345-K347 VanDerWaalsContact C-N 3.27Å; V345-K347 PolarHBondContact O-N 2.8Å; K347-V349 VanDerWaalsContact C-N 3.29Å; K347-V349 PolarHBondContact O-N 2.95Å; K347-E350 PolarHBondContact O-N 2.97Å; K347-K351 WeakPolarHBondContact O-CB 3.44Å; K347-K351 PolarHBondContact O-N 3.37Å
348	E	98.6	Very high	98.1	Very high	45 Å²	45	74.4 Å²	74.4	21%	0.21	36%	0.358	C	S	.	.	H	α-helix	trans	-66.8	-33	178.7	-66	-56.1	118.9	0	0	111.8	I130 H131 E344 V345 A352	I130-E348 HydrophobicContact CB-CB 4.48Å; I130-E348 HydrophobicContact CG2-CB 4.29Å; H131-E348 HydrophobicContact CB-CB 4.19Å; H131-E348 WeakPolarHBondContact CB-OE2 3.44Å; H131-E348 IonicContact CG-OE2 3.86Å; E344-E348 WeakPolarHBondContact O-CG 3.39Å; E344-E348 PolarHBondContact O-N 3.09Å; V345-E348 PolarHBondContact O-N 3.4Å; E348-A352 WeakPolarHBondContact O-CB 3.35Å; E348-A352 PolarHBondContact O-N 3.47Å
349	V	98.5	Very high	97.9	Very high	21 Å²	21	72.9 Å²	72.9	13%	0.127	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-49.4	172.8	170.4	0	0	0	0	111.1	A76 M80 V134 V345 D346 K347 K351 A352 M353	A76-V349 HydrophobicContact CB-CG2 3.86Å; M80-V349 HydrophobicContact SD-CG1 3.79Å; V134-V349 HydrophobicContact CG1-CG1 4.44Å; V134-V349 HydrophobicContact CG1-CG2 4.21Å; V134-V349 HydrophobicContact CG2-CG2 3.99Å; V345-V349 HydrophobicContact CG1-CG2 4.17Å; V345-V349 WeakPolarHBondContact O-CB 3.24Å; V345-V349 VanDerWaalsContact O-CG2 3.23Å; V345-V349 WeakPolarHBondContact O-CG2 3.37Å; V345-V349 PolarHBondContact O-N 3.43Å; D346-V349 PolarHBondContact O-N 3.13Å; K347-V349 VanDerWaalsContact C-N 3.29Å; K347-V349 PolarHBondContact O-N 2.95Å; V349-K351 VanDerWaalsContact C-N 3.29Å; V349-K351 PolarHBondContact O-N 3.21Å; V349-A352 PolarHBondContact O-N 2.91Å; V349-M353 HydrophobicContact CG1-CG 4.44Å; V349-M353 WeakPolarHBondContact O-CB 3.46Å; V349-M353 VanDerWaalsContact O-CG 3.28Å; V349-M353 WeakPolarHBondContact O-CG 3.44Å; V349-M353 PolarHBondContact O-N 3.36Å
350	E	98.3	Very high	97.5	Very high	147 Å²	147	71.7 Å²	71.7	69%	0.687	36%	0.357	S	S	*	.	H	α-helix	trans	-56.4	-45.9	177.1	-177.1	-178.3	-175.8	0	0	111.2	D346 K347 M353 S354	D346-E350 PolarHBondContact O-N 3.26Å; K347-E350 PolarHBondContact O-N 2.97Å; E350-M353 PolarHBondContact O-N 3.49Å; E350-S354 PolarHBondContact O-N 3.18Å; E350-S354 VanDerWaalsContact O-N 3.08Å
351	K	98.4	Very high	96.8	Very high	103 Å²	103	72.7 Å²	72.7	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-49.1	177.5	-174.1	-172.7	168.3	-169	0	111.8	K347 V349 M353 S354 D355	K347-K351 WeakPolarHBondContact O-CB 3.44Å; K347-K351 PolarHBondContact O-N 3.37Å; V349-K351 VanDerWaalsContact C-N 3.29Å; V349-K351 PolarHBondContact O-N 3.21Å; K351-M353 PolarHBondContact O-N 2.99Å; K351-S354 WeakPolarHBondContact O-CB 3.28Å; K351-S354 PolarHBondContact O-N 3.39Å; K351-S354 PolarHBondContact O-OG 3.02Å; K351-D355 PolarHBondContact O-N 3.46Å
352	A	98.4	Very high	96.2	Very high	0 Å²	0	74 Å²	74	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-59.7	-35.8	177.7	0	0	0	0	0	111.7	H131 V134 A135 R140 E348 V349 S354 D355	H131-A352 PolarHBondContact CD2-N 3.15Å; V134-A352 HydrophobicContact CB-CB 3.99Å; V134-A352 HydrophobicContact CG1-CB 3.76Å; A135-A352 HydrophobicContact CB-CB 4.01Å; R140-A352 PolarHBondContact NH1-O 3.24Å; E348-A352 WeakPolarHBondContact O-CB 3.35Å; E348-A352 PolarHBondContact O-N 3.47Å; V349-A352 PolarHBondContact O-N 2.91Å; A352-S354 VanDerWaalsContact C-N 3.28Å; A352-S354 PolarHBondContact O-N 3.06Å; A352-D355 WeakPolarHBondContact O-CB 3.4Å; A352-D355 PolarHBondContact O-N 2.97Å
353	M	97.2	Very high	95.7	Very high	48 Å²	48	71 Å²	71	24%	0.236	37%	0.367	C	S	.	.	H	α-helix	trans	-73.7	-17.4	177.5	-71.3	-55.4	-60.1	0	0	114.1	M80 L85 A138 R140 V349 E350 K351	M80-M353 HydrophobicContact CE-CG 4.07Å; M80-M353 HydrophobicContact CE-SD 3.37Å; M80-M353 WeakPolarHBondContact CE-SD 3.48Å; L85-M353 HydrophobicContact CB-CE 4.07Å; L85-M353 HydrophobicContact CD1-CE 3.71Å; L85-M353 HydrophobicContact CD1-SD 4.44Å; L85-M353 HydrophobicContact CD2-CE 3.74Å; L85-M353 HydrophobicContact CG-CE 4.03Å; A138-M353 HydrophobicContact CB-SD 3.9Å; R140-M353 PolarHBondContact NH1-O 2.7Å; V349-M353 HydrophobicContact CG1-CG 4.44Å; V349-M353 WeakPolarHBondContact O-CB 3.46Å; V349-M353 VanDerWaalsContact O-CG 3.28Å; V349-M353 WeakPolarHBondContact O-CG 3.44Å; V349-M353 PolarHBondContact O-N 3.36Å; E350-M353 PolarHBondContact O-N 3.49Å; K351-M353 PolarHBondContact O-N 2.99Å
354	S	97.7	Very high	95	Very high	94 Å²	94	68 Å²	68	66%	0.657	35%	0.35	S	S	*	.	H	α-helix	trans	-83.8	-12.2	170.9	75.8	0	0	0	0	113.6	E350 K351 A352	E350-S354 PolarHBondContact O-N 3.18Å; E350-S354 VanDerWaalsContact O-N 3.08Å; K351-S354 WeakPolarHBondContact O-CB 3.28Å; K351-S354 PolarHBondContact O-N 3.39Å; K351-S354 PolarHBondContact O-OG 3.02Å; A352-S354 VanDerWaalsContact C-N 3.28Å; A352-S354 PolarHBondContact O-N 3.06Å
355	D	98.2	Very high	94.3	Very high	30 Å²	30	66.5 Å²	66.5	16%	0.16	35%	0.351	C	S	.	.	S	Bend	trans	-72.4	146	-179.3	-72.2	-34	0	0	0	112.6	H131 R140 T142 K351 A352	H131-D355 IonicContact CE1-OD2 2.72Å; H131-D355 PolarHBondContact CE1-OD2 3.18Å; H131-D355 IonicContact NE2-OD2 3.65Å; H131-D355 PolarHBondContact NE2-OD2 3.19Å; R140-D355 HydrophobicContact CB-CB 3.96Å; R140-D355 WeakPolarHBondContact CD-O 3.23Å; R140-D355 HydrophobicContact CG-CB 4.35Å; R140-D355 PolarHBondContact NH1-O 3.4Å; T142-D355 VanDerWaalsContact CB-OD2 3.26Å; T142-D355 WeakPolarHBondContact CB-OD2 3.33Å; T142-D355 HydrophobicContact CG2-CB 4.24Å; T142-D355 WeakPolarHBondContact CG2-OD2 3.21Å; T142-D355 WeakPolarHBondContact OG1-CB 3.18Å; T142-D355 PolarHBondContact OG1-OD2 2.96Å; K351-D355 PolarHBondContact O-N 3.46Å; A352-D355 WeakPolarHBondContact O-CB 3.4Å; A352-D355 PolarHBondContact O-N 2.97Å
356	S	97.6	Very high	93.9	Very high	59 Å²	59	72 Å²	72	41%	0.413	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-70.2	151.6	177	6.7	0	0	0	0	112.1	K141	K141-S356 VanDerWaalsContact CE-OG 3.25Å; K141-S356 WeakPolarHBondContact CE-OG 3.37Å; K141-S356 WeakPolarHBondContact CG-O 3.37Å; K141-S356 PolarHBondContact N-O 2.98Å; K141-S356 PolarHBondContact NZ-OG 3.22Å
357	E	97.2	Very high	93.5	Very high	142 Å²	142	73 Å²	73	66%	0.664	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-60	154.6	162.8	-69	-177.9	107.9	0	0	110.9
358	P	96	Very high	93.2	Very high	35 Å²	35	73 Å²	73	23%	0.227	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-57.8	139.5	171.9	-20.4	31.8	0	0	0	110.6	G139 K141 K146 T362	G139-P358 VanDerWaalsContact O-CD 3.24Å; G139-P358 WeakPolarHBondContact O-CD 3.23Å; K141-P358 HydrophobicContact CB-CB 4.48Å; K141-P358 HydrophobicContact CB-CG 4.36Å; K146-P358 WeakPolarHBondContact O-CG 3.45Å; P358-T362 HydrophobicContact CB-CG2 4.31Å
359	P	93	Very high	92.8	Very high	73 Å²	73	80.2 Å²	80.2	47%	0.474	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-65.4	150.7	173.4	32.2	-36.8	0	0	0	109.6	E361 T362	P359-E361 WeakPolarHBondContact CB-OE2 3.34Å; P359-E361 PolarHBondContact O-N 3.44Å; P359-E361 VanDerWaalsContact O-N 3.09Å; P359-T362 WeakPolarHBondContact CD-OG1 3.39Å; P359-T362 WeakPolarHBondContact CG-OG1 3.47Å; P359-T362 WeakPolarHBondContact O-CB 3.29Å; P359-T362 PolarHBondContact O-N 3.07Å; P359-T362 PolarHBondContact O-OG1 3.11Å
360	L	89.4	Confident	92.4	Very high	100 Å²	100	82.5 Å²	82.5	52%	0.524	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-59.7	-27.9	-169.7	-173.2	61	0	0	0	113	T362 M363 L382	L360-T362 PolarHBondContact O-N 3.36Å; L360-M363 WeakPolarHBondContact O-CB 3.49Å; L360-M363 PolarHBondContact O-N 3.23Å; L360-M363 VanDerWaalsContact O-N 3.12Å; L360-L382 HydrophobicContact CD2-CD1 4.09Å; L360-L382 HydrophobicContact CD2-CD2 3.25Å; L360-L382 HydrophobicContact CD2-CG 4.3Å; L360-L382 HydrophobicContact CG-CD1 4.27Å; L360-L382 HydrophobicContact CG-CD2 3.65Å; L360-L382 HydrophobicContact CG-CG 4.49Å
361	E	83.8	Confident	91.9	Very high	124 Å²	124	79.2 Å²	79.2	58%	0.579	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-60.5	-25.6	174.8	-61.2	74	-160.9	0	0	112.6	P359 M363 F364	P359-E361 WeakPolarHBondContact CB-OE2 3.34Å; P359-E361 PolarHBondContact O-N 3.44Å; P359-E361 VanDerWaalsContact O-N 3.09Å; E361-M363 PolarHBondContact O-N 2.88Å; E361-F364 PolarHBondContact O-N 3.43Å
362	T	87	Confident	91.3	Very high	28 Å²	28	78.3 Å²	78.3	17%	0.172	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-64	-24	177.9	-43.9	0	0	0	0	112	L148 P358 P359 L360 F364 G365	L148-T362 HydrophobicContact CD1-CG2 4.21Å; L148-T362 HydrophobicContact CD2-CG2 4.2Å; L148-T362 HydrophobicContact CG-CG2 4.46Å; P358-T362 HydrophobicContact CB-CG2 4.31Å; P359-T362 WeakPolarHBondContact CD-OG1 3.39Å; P359-T362 WeakPolarHBondContact CG-OG1 3.47Å; P359-T362 WeakPolarHBondContact O-CB 3.29Å; P359-T362 PolarHBondContact O-N 3.07Å; P359-T362 PolarHBondContact O-OG1 3.11Å; L360-T362 PolarHBondContact O-N 3.36Å; T362-F364 PolarHBondContact O-N 3.4Å; T362-F364 VanDerWaalsContact O-N 3.1Å; T362-G365 PolarHBondContact O-N 3.45Å
363	M	87.3	Confident	90.6	Very high	86 Å²	86	84 Å²	84	42%	0.424	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-55.3	-30.3	179	-172.6	170.2	77.7	0	0	113	L360 E361	L360-M363 WeakPolarHBondContact O-CB 3.49Å; L360-M363 PolarHBondContact O-N 3.23Å; L360-M363 VanDerWaalsContact O-N 3.12Å; E361-M363 PolarHBondContact O-N 2.88Å
364	F	85.1	Confident	89.8	Confident	40 Å²	40	89.3 Å²	89.3	18%	0.175	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-104.7	3.5	179.7	-55.1	-57.1	0	0	0	113.2	E361 T362 C380 L382	E361-F364 PolarHBondContact O-N 3.43Å; T362-F364 PolarHBondContact O-N 3.4Å; T362-F364 VanDerWaalsContact O-N 3.1Å; F364-C380 HydrophobicContact CB-CB 3.97Å; F364-C380 VanDerWaalsContact CD1-CA 3.43Å; F364-C380 HydrophobicContact CD1-CB 3.41Å; F364-C380 VanDerWaalsContact CD1-CB 3.41Å; F364-C380 WeakPolarHBondContact CD2-O 3.46Å; F364-C380 VanDerWaalsContact CE1-CA 3.49Å; F364-C380 HydrophobicContact CE1-CB 4Å; F364-C380 HydrophobicContact CG-CB 3.77Å; F364-C380 VanDerWaalsContact CG-O 3.31Å; F364-C380 WeakPolarHBondContact CG-O 3.38Å; F364-L382 HydrophobicContact CE2-CG 4.3Å
365	G	83.6	Confident	89.1	Confident	30 Å²	30	90.6 Å²	90.6	31%	0.309	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	155.2	179.6	0	0	0	0	0	112.5	T362 I367	T362-G365 PolarHBondContact O-N 3.45Å; G365-I367 PolarHBondContact O-N 2.96Å; G365-I367 VanDerWaalsContact O-N 3.09Å
366	N	88.5	Confident	88.2	Confident	116 Å²	116	97.9 Å²	97.9	62%	0.62	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	21.8	169.5	-43.2	-59.3	0	0	0	116.2
367	I	91.1	Very high	87.5	Confident	78 Å²	78	96.9 Å²	96.9	40%	0.4	51%	0.512	S	S	.	.	S	Bend	trans	-65.5	-45	173.8	-64	171.8	0	0	0	110.7	G365 I377	G365-I367 PolarHBondContact O-N 2.96Å; G365-I367 VanDerWaalsContact O-N 3.09Å; I367-I377 HydrophobicContact CB-CD1 3.69Å; I367-I377 HydrophobicContact CD1-CD1 3.74Å; I367-I377 HydrophobicContact CD1-CG2 4.49Å; I367-I377 HydrophobicContact CG1-CD1 4.23Å; I367-I377 HydrophobicContact CG2-CD1 3.96Å
368	Y	91.2	Very high	86.8	Confident	133 Å²	133	100.1 Å²	100.1	52%	0.522	52%	0.518	S	S	.	.	S	Bend	trans	-125.2	141.8	178.6	-62.6	-53.8	0	0	0	110.5	I371 Y375 I377	Y368-I371 VanDerWaalsContact CB-CG2 3.42Å; Y368-I371 HydrophobicContact CD2-CG2 4.3Å; Y368-I371 HydrophobicContact CG-CG2 4.3Å; Y368-Y375 HydrophobicContact CD2-CE1 4.25Å; Y368-Y375 HydrophobicContact CE2-CE1 4.45Å; Y368-I377 HydrophobicContact CD2-CD1 3.7Å; Y368-I377 HydrophobicContact CD2-CG1 4.05Å; Y368-I377 HydrophobicContact CE2-CD1 4.02Å; Y368-I377 HydrophobicContact CE2-CG1 4.13Å
369	H	91.6	Very high	86.1	Confident	198 Å²	198	100.3 Å²	100.3	92%	0.917	53%	0.527	S	S	*	.	S	Bend	trans	-91.9	142.5	171.1	-174.6	68.7	0	0	0	110.4	I371	H369-I371 PolarHBondContact O-N 3.2Å
370	G	90.7	Very high	85.5	Confident	69 Å²	69	98.7 Å²	98.7	71%	0.711	52%	0.517	S	S	*	.	S	Bend	trans	71.7	25.5	174.6	0	0	0	0	0	115.3
371	I	86.1	Confident	84.8	Confident	78 Å²	78	97.1 Å²	97.1	40%	0.4	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-65.8	142.7	176.3	55.9	172.6	0	0	0	111.6	Y368 H369 Y375	Y368-I371 VanDerWaalsContact CB-CG2 3.42Å; Y368-I371 HydrophobicContact CD2-CG2 4.3Å; Y368-I371 HydrophobicContact CG-CG2 4.3Å; H369-I371 PolarHBondContact O-N 3.2Å; I371-Y375 HydrophobicContact CB-CD1 4.15Å; I371-Y375 HydrophobicContact CB-CG 4.34Å; I371-Y375 HydrophobicContact CG2-CD1 3.92Å; I371-Y375 HydrophobicContact CG2-CE1 4.4Å
372	P	87.1	Confident	84.1	Confident	83 Å²	83	94.5 Å²	94.5	54%	0.539	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-58.8	153.6	172.7	-23.1	32.9	0	0	0	112.2	N374 Y375	P372-N374 PolarHBondContact O-N 3.49Å; P372-Y375 VanDerWaalsContact O-CB 3.29Å; P372-Y375 WeakPolarHBondContact O-CB 3.41Å; P372-Y375 PolarHBondContact O-N 3.22Å; P372-Y375 VanDerWaalsContact O-N 3.15Å
373	P	83.9	Confident	83.3	Confident	119 Å²	119	102 Å²	102	77%	0.773	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	138.2	169.4	-24.1	33.4	0	0	0	111.1	Y375	P373-Y375 PolarHBondContact O-N 2.97Å
374	N	79.9	Confident	82.4	Confident	160 Å²	160	100.6 Å²	100.6	86%	0.856	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	10.8	-179.1	-50.3	-48.6	0	0	0	116.3	P372 K376	P372-N374 PolarHBondContact O-N 3.49Å; N374-K376 PolarHBondContact O-N 2.95Å
375	Y	82.7	Confident	81.3	Confident	122 Å²	122	107.8 Å²	107.8	48%	0.478	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-64.6	116.6	171.5	-173.5	-98.1	0	0	0	110.3	Y368 I371 P372 P373 I377	Y368-Y375 HydrophobicContact CD2-CE1 4.25Å; Y368-Y375 HydrophobicContact CE2-CE1 4.45Å; I371-Y375 HydrophobicContact CB-CD1 4.15Å; I371-Y375 HydrophobicContact CB-CG 4.34Å; I371-Y375 HydrophobicContact CG2-CD1 3.92Å; I371-Y375 HydrophobicContact CG2-CE1 4.4Å; P372-Y375 VanDerWaalsContact O-CB 3.29Å; P372-Y375 WeakPolarHBondContact O-CB 3.41Å; P372-Y375 PolarHBondContact O-N 3.22Å; P372-Y375 VanDerWaalsContact O-N 3.15Å; P373-Y375 PolarHBondContact O-N 2.97Å; Y375-I377 HydrophobicContact CD1-CG1 4.14Å; Y375-I377 HydrophobicContact CE1-CG1 3.91Å
376	K	79.5	Confident	80.2	Confident	182 Å²	182	109.2 Å²	109.2	79%	0.791	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-98.9	119.8	177.5	-69.1	-173.6	179.5	-178.9	0	109.9	N374 R378	N374-K376 PolarHBondContact O-N 2.95Å; K376-R378 PolarHBondContact O-N 3.08Å
377	I	81.8	Confident	78.5	Confident	38 Å²	38	106 Å²	106	20%	0.195	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-75.3	119	169.9	-57.4	171.9	0	0	0	107.2	I367 Y368 Y375 G379 C380	I367-I377 HydrophobicContact CB-CD1 3.69Å; I367-I377 HydrophobicContact CD1-CD1 3.74Å; I367-I377 HydrophobicContact CD1-CG2 4.49Å; I367-I377 HydrophobicContact CG1-CD1 4.23Å; I367-I377 HydrophobicContact CG2-CD1 3.96Å; Y368-I377 HydrophobicContact CD2-CD1 3.7Å; Y368-I377 HydrophobicContact CD2-CG1 4.05Å; Y368-I377 HydrophobicContact CE2-CD1 4.02Å; Y368-I377 HydrophobicContact CE2-CG1 4.13Å; Y375-I377 HydrophobicContact CD1-CG1 4.14Å; Y375-I377 HydrophobicContact CE1-CG1 3.91Å; I377-G379 PolarHBondContact O-N 2.74Å; I377-C380 HydrophobicContact CB-CB 3.88Å; I377-C380 HydrophobicContact CG2-CB 3.93Å; I377-C380 WeakPolarHBondContact CG2-SG 3.4Å; I377-C380 WeakPolarHBondContact O-CB 3.43Å; I377-C380 PolarHBondContact O-N 2.74Å; I377-C380 VanDerWaalsContact O-N 3.14Å
378	R	83	Confident	76.8	Confident	210 Å²	210	107.8 Å²	107.8	79%	0.792	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	129.9	-177.7	-176.5	180	178.4	-176.5	-0.9	110.4	K376 C380	K376-R378 PolarHBondContact O-N 3.08Å; R378-C380 PolarHBondContact O-N 3.22Å
379	G	80.9	Confident	74.7	Confident	40 Å²	40	110 Å²	110	41%	0.412	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	78.6	3.2	179.1	0	0	0	0	0	114.6	I377	I377-G379 PolarHBondContact O-N 2.74Å
380	C	81	Confident	72.5	Confident	38 Å²	38	105.2 Å²	105.2	26%	0.257	57%	0.566	S	S	.	*			trans	-106.5	49.1	178.2	-65.3	0	0	0	0	111.2	F364 I377 R378	F364-C380 HydrophobicContact CB-CB 3.97Å; F364-C380 VanDerWaalsContact CD1-CA 3.43Å; F364-C380 HydrophobicContact CD1-CB 3.41Å; F364-C380 VanDerWaalsContact CD1-CB 3.41Å; F364-C380 WeakPolarHBondContact CD2-O 3.46Å; F364-C380 VanDerWaalsContact CE1-CA 3.49Å; F364-C380 HydrophobicContact CE1-CB 4Å; F364-C380 HydrophobicContact CG-CB 3.77Å; F364-C380 VanDerWaalsContact CG-O 3.31Å; F364-C380 WeakPolarHBondContact CG-O 3.38Å; I377-C380 HydrophobicContact CB-CB 3.88Å; I377-C380 HydrophobicContact CG2-CB 3.93Å; I377-C380 WeakPolarHBondContact CG2-SG 3.4Å; I377-C380 WeakPolarHBondContact O-CB 3.43Å; I377-C380 PolarHBondContact O-N 2.74Å; I377-C380 VanDerWaalsContact O-N 3.14Å; R378-C380 PolarHBondContact O-N 3.22Å
381	D	75.1	Confident	70	Confident	68 Å²	68	107.6 Å²	107.6	36%	0.364	57%	0.567	S	S	.	*	S	Bend	trans	-136.5	148.8	170.4	74.9	74.2	0	0	0	111.5	K383 T384 W385	D381-K383 PolarHBondContact O-N 3.32Å; D381-K383 WeakPolarHBondContact OD1-CA 3.5Å; D381-K383 VanDerWaalsContact OD1-CB 3.3Å; D381-K383 WeakPolarHBondContact OD1-CB 3.38Å; D381-K383 PolarHBondContact OD1-N 2.93Å; D381-T384 PolarHBondContact O-N 3.09Å; D381-T384 PolarHBondContact O-OG1 3Å; D381-T384 PolarHBondContact OD1-N 3.43Å; D381-T384 PolarHBondContact OD1-OG1 3.19Å; D381-T384 VanDerWaalsContact OD1-OG1 3.09Å; D381-T384 PolarHBondContact OD2-OG1 3.35Å; D381-T384 VanDerWaalsContact OD2-OG1 3.12Å; D381-W385 PolarHBondContact O-N 3.27Å; D381-W385 VanDerWaalsContact O-N 3.13Å
382	L	68.6	Low	67.6	Low	68 Å²	68	114 Å²	114	36%	0.356	59%	0.592	S	S	.	*	H	α-helix	trans	-61.1	-27.7	-176.2	-80.9	165.3	0	0	0	113.4	L360 F364 G386	L360-L382 HydrophobicContact CD2-CD1 4.09Å; L360-L382 HydrophobicContact CD2-CD2 3.25Å; L360-L382 HydrophobicContact CD2-CG 4.3Å; L360-L382 HydrophobicContact CG-CD1 4.27Å; L360-L382 HydrophobicContact CG-CD2 3.65Å; L360-L382 HydrophobicContact CG-CG 4.49Å; F364-L382 HydrophobicContact CE2-CG 4.3Å; L382-G386 PolarHBondContact O-N 3.07Å
383	K	69.7	Low	65.3	Low	185 Å²	185	123.2 Å²	123.2	80%	0.804	62%	0.616	S	S	*	*	H	α-helix	trans	-73.5	-38.5	180	-63.8	-177.1	176.4	-176.9	0	111	D381 S387	D381-K383 PolarHBondContact O-N 3.32Å; D381-K383 WeakPolarHBondContact OD1-CA 3.5Å; D381-K383 VanDerWaalsContact OD1-CB 3.3Å; D381-K383 WeakPolarHBondContact OD1-CB 3.38Å; D381-K383 PolarHBondContact OD1-N 2.93Å; K383-S387 WeakPolarHBondContact O-CB 3.48Å; K383-S387 PolarHBondContact O-N 3.14Å
384	T	68.3	Low	64.3	Low	57 Å²	57	123.4 Å²	123.4	35%	0.35	61%	0.608	S	S	.	*	H	α-helix	trans	-67.9	-38.1	172	30.9	0	0	0	0	113	D381	D381-T384 PolarHBondContact O-N 3.09Å; D381-T384 PolarHBondContact O-OG1 3Å; D381-T384 PolarHBondContact OD1-N 3.43Å; D381-T384 PolarHBondContact OD1-OG1 3.19Å; D381-T384 VanDerWaalsContact OD1-OG1 3.09Å; D381-T384 PolarHBondContact OD2-OG1 3.35Å; D381-T384 VanDerWaalsContact OD2-OG1 3.12Å
385	W	62.5	Low	63.5	Low	192 Å²	192	121.5 Å²	121.5	73%	0.727	60%	0.595	S	S	*	*	H	α-helix	trans	-79.1	-35	-175.8	-149.4	83.7	0	0	0	113	D381	D381-W385 PolarHBondContact O-N 3.27Å; D381-W385 VanDerWaalsContact O-N 3.13Å
386	G	60.8	Low	62.4	Low	60 Å²	60	121.4 Å²	121.4	62%	0.619	60%	0.602	S	S	*	*	H	α-helix	trans	-87.1	-4.5	-177.7	0	0	0	0	0	115.7	L382 P388	L382-G386 PolarHBondContact O-N 3.07Å; G386-P388 WeakPolarHBondContact O-CD 3.44Å
387	S	53.3	Low	61.4	Low	48 Å²	48	117.9 Å²	117.9	34%	0.336	59%	0.591	S	S	.	*			trans	-96.9	115.5	-179.8	-171.6	0	0	0	0	111.2	K383 F389	K383-S387 WeakPolarHBondContact O-CB 3.48Å; K383-S387 PolarHBondContact O-N 3.14Å; S387-F389 PolarHBondContact O-N 3.31Å
388	P	54.2	Low	60.2	Low	116 Å²	116	122.9 Å²	122.9	75%	0.753	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-3.7	175.6	-16.7	29.2	0	0	0	114.2	G386	G386-P388 WeakPolarHBondContact O-CD 3.44Å
389	F	48.4	Very low	58.6	Low	180 Å²	180	117.1 Å²	117.1	79%	0.789	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	10.1	-165	-75.3	-80	0	0	0	115.6	S387	S387-F389 PolarHBondContact O-N 3.31Å
390	V	44.2	Very low	57.1	Low	97 Å²	97	122.6 Å²	122.6	59%	0.588	62%	0.617	S	S	*	*			trans	-111.2	57.4	178.7	-163.3	0	0	0	0	112.1
391	T	39.7	Very low	55.2	Low	119 Å²	119	129.1 Å²	129.1	73%	0.73	65%	0.645	S	S	*	*			trans	-154.2	69.6	151.4	30.4	0	0	0	0	109.2
392	K	34.8	Very low	53.6	Low	211 Å²	211	134.2 Å²	134.2	92%	0.917	67%	0.668	S	S	*	*			trans	-94.1	97.2	141.6	-81.8	-172.4	176.1	-177.3	0	106.1
393	W	38.4	Very low	52.2	Low	277 Å²	277	140.2 Å²	140.2	100%	1.049	70%	0.697	S	S	*	*			trans	-94.9	0	156.4	-83.7	89.7	0	0	0	107.9

Retrieved 393 of 393 residues in 81.5 ms (Link to these results)

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