A0A3Q0KBN9_SCHMA Loading...

Methyltransf_11 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KBN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	36	Very low	216 Å²	216	151.9 Å²	151.9	100%	1.064	76%	0.763	S	S	*	*				0	-28.4	0	-145.9	165	-179.4	0	0	112.9	L3 K4	M1-L3 PolarHBondContact O-N 3.07Å; M1-K4 PolarHBondContact O-N 2.89Å
2	V	39.3	Very low	36.8	Very low	129 Å²	129	150.2 Å²	150.2	78%	0.782	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-65.3	-32.1	-175.8	-176.8	0	0	0	0	114.6	K4	V2-K4 VanDerWaalsContact C-N 3.31Å; V2-K4 PolarHBondContact O-N 2.84Å
3	L	34.9	Very low	37.1	Very low	164 Å²	164	149 Å²	149	86%	0.859	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-75.7	-9.7	178.7	-111	97.4	0	0	0	115.4	M1	M1-L3 PolarHBondContact O-N 3.07Å
4	K	33.3	Very low	37.4	Very low	174 Å²	174	152.9 Å²	152.9	76%	0.757	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-92	-11	-177.5	-92.8	-174.3	174.4	-177.8	0	114.4	M1 V2 T8	M1-K4 PolarHBondContact O-N 2.89Å; V2-K4 VanDerWaalsContact C-N 3.31Å; V2-K4 PolarHBondContact O-N 2.84Å; K4-T8 PolarHBondContact O-OG1 3.48Å
5	V	33.6	Very low	37.9	Very low	118 Å²	118	150.7 Å²	150.7	72%	0.715	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-82.8	-22.2	-174.2	-178.7	0	0	0	0	112.6	N7	V5-N7 VanDerWaalsContact C-N 3.29Å; V5-N7 PolarHBondContact O-N 3.21Å
6	L	35.6	Very low	37.7	Very low	157 Å²	157	144.8 Å²	144.8	82%	0.822	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-75.4	-7.9	-179	-83.5	160.2	0	0	0	115.2
7	N	35.2	Very low	37.7	Very low	99 Å²	99	141.5 Å²	141.5	53%	0.529	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-114.6	3.7	-170.3	-86.8	-9.5	0	0	0	116.6	V5 Y13	V5-N7 VanDerWaalsContact C-N 3.29Å; V5-N7 PolarHBondContact O-N 3.21Å; N7-Y13 VanDerWaalsContact OD1-CE2 3.32Å; N7-Y13 WeakPolarHBondContact OD1-CE2 3.39Å; N7-Y13 PolarHBondContact OD1-OH 2.94Å
8	T	37.8	Very low	37.7	Very low	96 Å²	96	140.2 Å²	140.2	59%	0.589	69%	0.693	S	S	*	*	S	Bend	trans	-121.6	-1.2	-164.8	18	0	0	0	0	119.9	K4	K4-T8 PolarHBondContact O-OG1 3.48Å
9	F	34.8	Very low	37.8	Very low	200 Å²	200	137 Å²	137	88%	0.877	69%	0.691	S	S	*	*	S	Bend	trans	-145.8	72.2	178	-75.9	-79.6	0	0	0	114.8
10	T	36	Very low	37.8	Very low	85 Å²	85	139.3 Å²	139.3	52%	0.521	70%	0.697	S	S	.	*			trans	-152.2	138.7	139.2	43.8	0	0	0	0	108.8	Y12 Y13	T10-Y12 PolarHBondContact O-N 3.19Å; T10-Y13 PolarHBondContact O-N 3.43Å
11	R	39.3	Very low	37.8	Very low	233 Å²	233	135.5 Å²	135.5	88%	0.879	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-1	177.2	-162.2	175.5	-178.4	178.7	-0.6	113.9
12	Y	44.7	Very low	37.9	Very low	131 Å²	131	129.1 Å²	129.1	51%	0.514	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.6	13.1	-166.5	-65.6	-81.1	0	0	0	113.9	T10 K14 Y15	T10-Y12 PolarHBondContact O-N 3.19Å; Y12-K14 PolarHBondContact O-N 2.99Å; Y12-K14 VanDerWaalsContact O-N 3.09Å; Y12-Y15 AromaticContact CD1-CD2 3.56Å; Y12-Y15 HydrophobicContact CD1-CD2 3.56Å; Y12-Y15 AromaticContact CD1-CE2 3.38Å; Y12-Y15 HydrophobicContact CD1-CE2 3.38Å; Y12-Y15 HydrophobicContact CE1-CE2 4.08Å; Y12-Y15 HydrophobicContact CG-CD2 4.17Å; Y12-Y15 HydrophobicContact CG-CE2 4.33Å; Y12-Y15 WeakPolarHBondContact O-CB 3.24Å; Y12-Y15 WeakPolarHBondContact O-CD2 3.13Å; Y12-Y15 PolarHBondContact O-N 3.34Å
13	Y	41.1	Very low	37.8	Very low	135 Å²	135	133 Å²	133	53%	0.529	66%	0.659	S	S	.	*	G	3₁₀ helix	trans	-54.8	-29	177.1	-171.7	-96.9	0	0	0	114.4	N7 T10 Y15 A16	N7-Y13 VanDerWaalsContact OD1-CE2 3.32Å; N7-Y13 WeakPolarHBondContact OD1-CE2 3.39Å; N7-Y13 PolarHBondContact OD1-OH 2.94Å; T10-Y13 PolarHBondContact O-N 3.43Å; Y13-Y15 PolarHBondContact O-N 3.42Å; Y13-A16 PolarHBondContact O-N 3.19Å; Y13-A16 VanDerWaalsContact O-N 3.15Å
14	K	42	Very low	37.9	Very low	203 Å²	203	130.4 Å²	130.4	88%	0.883	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-62.2	-13.4	174.1	-77.6	-172.7	176.8	-179.2	0	114.1	Y12	Y12-K14 PolarHBondContact O-N 2.99Å; Y12-K14 VanDerWaalsContact O-N 3.09Å
15	Y	44.8	Very low	38.1	Very low	120 Å²	120	130 Å²	130	47%	0.471	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-100.7	-12.4	179.6	-55.6	-66.7	0	0	0	113.5	Y12 Y13 I17 R135	Y12-Y15 AromaticContact CD1-CD2 3.56Å; Y12-Y15 HydrophobicContact CD1-CD2 3.56Å; Y12-Y15 AromaticContact CD1-CE2 3.38Å; Y12-Y15 HydrophobicContact CD1-CE2 3.38Å; Y12-Y15 HydrophobicContact CE1-CE2 4.08Å; Y12-Y15 HydrophobicContact CG-CD2 4.17Å; Y12-Y15 HydrophobicContact CG-CE2 4.33Å; Y12-Y15 WeakPolarHBondContact O-CB 3.24Å; Y12-Y15 WeakPolarHBondContact O-CD2 3.13Å; Y12-Y15 PolarHBondContact O-N 3.34Å; Y13-Y15 PolarHBondContact O-N 3.42Å; Y15-I17 PolarHBondContact O-N 2.76Å; Y15-R135 PolarHBondContact O-NE 3.48Å
16	A	34.8	Very low	38.7	Very low	56 Å²	56	128.6 Å²	128.6	46%	0.463	63%	0.631	S	S	.	*			trans	-79	109.9	172.9	0	0	0	0	0	108.9	Y13	Y13-A16 PolarHBondContact O-N 3.19Å; Y13-A16 VanDerWaalsContact O-N 3.15Å
17	I	37.8	Very low	39.1	Very low	89 Å²	89	127.6 Å²	127.6	46%	0.456	63%	0.631	S	S	.	*			trans	-72.6	130.7	167.4	-57.8	179.8	0	0	0	106.4	Y15 A19 R135	Y15-I17 PolarHBondContact O-N 2.76Å; I17-A19 PolarHBondContact O-N 3.04Å; I17-R135 HydrophobicContact CD1-CG 3.68Å; I17-R135 HydrophobicContact CG1-CG 3.92Å
18	P	36.2	Very low	39.4	Very low	118 Å²	118	125 Å²	125	77%	0.766	63%	0.629	S	S	*	*			trans	-56.4	118.8	167.7	22.7	-30.6	0	0	0	107.8	F20	P18-F20 PolarHBondContact O-N 3.27Å
19	A	40.4	Very low	40.2	Very low	80 Å²	80	129.8 Å²	129.8	66%	0.661	64%	0.644	S	S	*	*			trans	-22.2	100.2	-171	0	0	0	0	0	111.4	I17 G21	I17-A19 PolarHBondContact O-N 3.04Å; A19-G21 PolarHBondContact O-N 3.44Å
20	F	38.5	Very low	41.9	Very low	182 Å²	182	125.7 Å²	125.7	80%	0.798	63%	0.631	S	S	*	*			trans	-52.2	116.3	177.9	-175.3	-95.4	0	0	0	105.8	P18 Y22	P18-F20 PolarHBondContact O-N 3.27Å; F20-Y22 VanDerWaalsContact C-N 3.35Å; F20-Y22 PolarHBondContact O-N 2.94Å
21	G	37	Very low	44.5	Very low	61 Å²	61	125.4 Å²	125.4	63%	0.629	63%	0.629	S	S	*	*			trans	-50.1	100	-164.6	0	0	0	0	0	110.3	A19 R23	A19-G21 PolarHBondContact O-N 3.44Å; G21-R23 PolarHBondContact O-N 2.83Å
22	Y	39.9	Very low	47	Very low	82 Å²	82	117.3 Å²	117.3	32%	0.322	61%	0.605	S	S	.	*			trans	-66.2	88.7	166.8	-171.4	-90	0	0	0	104.2	F20 N24 Y130	F20-Y22 VanDerWaalsContact C-N 3.35Å; F20-Y22 PolarHBondContact O-N 2.94Å; Y22-N24 PolarHBondContact O-N 2.78Å; Y22-N24 VanDerWaalsContact O-N 3.09Å; Y22-Y130 HydrophobicContact CE1-CD2 4.32Å
23	R	36.4	Very low	49.5	Very low	210 Å²	210	111.7 Å²	111.7	79%	0.792	58%	0.584	S	S	*	*			trans	-57.8	117.9	163.1	-95	-177.7	164.5	169.9	-4	103.9	G21 Q25	G21-R23 PolarHBondContact O-N 2.83Å; R23-Q25 HydrophobicContact CB-CG 4.32Å; R23-Q25 PolarHBondContact O-N 2.67Å
24	N	36.4	Very low	52	Low	109 Å²	109	107.5 Å²	107.5	58%	0.583	57%	0.57	S	S	*	*			trans	-53.8	84.1	163.4	-84	-23.2	0	0	0	107.6	Y22 F26	Y22-N24 PolarHBondContact O-N 2.78Å; Y22-N24 VanDerWaalsContact O-N 3.09Å; N24-F26 PolarHBondContact O-N 3.23Å
25	Q	38	Very low	54.4	Low	165 Å²	165	101.2 Å²	101.2	77%	0.771	54%	0.543	S	S	*	.			trans	-73.5	-11.1	173.5	-73.6	-173.1	-5.3	0	0	110.3	R23 T27	R23-Q25 HydrophobicContact CB-CG 4.32Å; R23-Q25 PolarHBondContact O-N 2.67Å; Q25-T27 PolarHBondContact O-N 3.13Å
26	F	46.1	Very low	56.8	Low	90 Å²	90	98 Å²	98	40%	0.395	54%	0.539	S	S	.	.			trans	-95.9	74.9	172.2	-75.8	-84.9	0	0	0	111.5	N24 D153	N24-F26 PolarHBondContact O-N 3.23Å; F26-D153 HydrophobicContact CD2-CB 4.33Å; F26-D153 HydrophobicContact CE2-CB 3.94Å; F26-D153 WeakPolarHBondContact CE2-OD2 3.5Å; F26-D153 HydrophobicContact CZ-CB 4.43Å
27	T	44.7	Very low	59.6	Low	135 Å²	135	96.6 Å²	96.6	83%	0.828	52%	0.524	S	S	*	.	S	Bend	trans	-102.6	19	157.4	56	0	0	0	0	111.8	Q25	Q25-T27 PolarHBondContact O-N 3.13Å
28	G	40.1	Very low	62.4	Low	46 Å²	46	93 Å²	93	47%	0.474	51%	0.505	S	S	.	.	S	Bend	trans	-152.8	125.8	-176.9	0	0	0	0	0	114.1	N30	G28-N30 PolarHBondContact O-N 3.02Å
29	Q	54.7	Low	65.1	Low	196 Å²	196	90.4 Å²	90.4	92%	0.916	48%	0.483	S	S	*	.	S	Bend	trans	75.2	-23.5	156.9	-77.2	178.2	-26.8	0	0	123.8
30	N	71.4	Confident	67.7	Low	114 Å²	114	93.4 Å²	93.4	61%	0.61	48%	0.481	S	S	*	.			trans	-126.2	37.7	-177.2	-70.3	-11.7	0	0	0	115.7	G28 V32	G28-N30 PolarHBondContact O-N 3.02Å; N30-V32 PolarHBondContact O-N 2.91Å
31	V	89.7	Confident	70.5	Confident	79 Å²	79	86.1 Å²	86.1	48%	0.479	45%	0.449	S	S	.	.			trans	-84.1	105.2	172.2	-175	0	0	0	0	109.2	F33 V255	V31-F33 WeakPolarHBondContact CG1-O 3.19Å; V31-V255 HydrophobicContact CG1-CG2 3.84Å
32	V	93.2	Very high	73.2	Confident	62 Å²	62	84.5 Å²	84.5	38%	0.376	42%	0.424	S	S	.	.			trans	-84.4	-46.1	178.7	-178.9	0	0	0	0	110.8	N30 N152 P205 T254 V255	N30-V32 PolarHBondContact O-N 2.91Å; V32-N152 PolarHBondContact N-OD1 3.48Å; V32-P205 HydrophobicContact CG1-CG 3.67Å; V32-T254 HydrophobicContact CG1-CG2 4.43Å; V32-T254 CarbonylContact O-C 3.56Å; V32-T254 VanDerWaalsContact O-CA 3.23Å; V32-T254 WeakPolarHBondContact O-CA 3.41Å; V32-V255 PolarHBondContact O-N 3.01Å
33	F	95.6	Very high	75.8	Confident	13 Å²	13	81.9 Å²	81.9	6%	0.057	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-109.1	137.8	-173.8	-55.2	-64.6	0	0	0	113	V31 K35 H149 W150 N152 P205 A253 T254	V31-F33 WeakPolarHBondContact CG1-O 3.19Å; F33-K35 PolarHBondContact O-N 3.25Å; F33-H149 WeakPolarHBondContact CE2-O 3.32Å; F33-H149 WeakPolarHBondContact CZ-O 3.5Å; F33-W150 AromaticContact CD1-CE3 3.76Å; F33-W150 HydrophobicContact CD1-CE3 3.76Å; F33-W150 AromaticContact CD1-CZ3 3.78Å; F33-W150 HydrophobicContact CD1-CZ3 3.78Å; F33-W150 HydrophobicContact CD2-CE3 4.46Å; F33-W150 WeakPolarHBondContact CD2-O 3.43Å; F33-W150 AromaticContact CE1-CE3 3.84Å; F33-W150 HydrophobicContact CE1-CE3 3.84Å; F33-W150 AromaticContact CE1-CZ3 3.76Å; F33-W150 HydrophobicContact CE1-CZ3 3.76Å; F33-W150 HydrophobicContact CG-CE3 4.08Å; F33-W150 HydrophobicContact CZ-CE3 4.22Å; F33-W150 HydrophobicContact CZ-CZ3 4.49Å; F33-N152 PolarHBondContact N-OD1 3.08Å; F33-N152 PolarHBondContact O-ND2 3.45Å; F33-P205 HydrophobicContact CE1-CG 4.3Å; F33-P205 HydrophobicContact CZ-CG 4.17Å; F33-A253 CarbonylContact C-O 3.57Å; F33-A253 WeakPolarHBondContact CA-O 3.26Å; F33-T254 HydrophobicContact CD1-CG2 4.21Å; F33-T254 HydrophobicContact CE1-CG2 4.07Å
34	D	95	Very high	78.6	Confident	47 Å²	47	77.2 Å²	77.2	25%	0.251	40%	0.402	S	S	.	.			trans	-76.5	100	168	-177.6	-17	0	0	0	109.8	S36 V37 K38 A253 V255 R257	D34-S36 VanDerWaalsContact C-N 3.27Å; D34-S36 PolarHBondContact O-N 3.19Å; D34-S36 WeakPolarHBondContact OD1-CB 3.22Å; D34-S36 PolarHBondContact OD1-N 3.41Å; D34-S36 PolarHBondContact OD1-OG 2.95Å; D34-V37 HydrophobicContact CB-CB 4.09Å; D34-V37 HydrophobicContact CB-CG2 4.22Å; D34-V37 VanDerWaalsContact CG-CG2 3.49Å; D34-V37 PolarHBondContact O-N 3.07Å; D34-V37 VanDerWaalsContact O-N 3.16Å; D34-V37 PolarHBondContact OD1-N 3.36Å; D34-V37 WeakPolarHBondContact OD2-CG2 3.49Å; D34-K38 PolarHBondContact O-N 2.9Å; D34-A253 PolarHBondContact N-O 2.88Å; D34-V255 HydrophobicContact CB-CG2 4.42Å; D34-R257 IonicContact OD2-NH1 3.34Å
35	K	92.7	Very high	81.4	Confident	71 Å²	71	72.2 Å²	72.2	31%	0.309	38%	0.375	S	S	.	.	H	α-helix	trans	-56	-41.4	-179.2	-61.3	-174.8	179.1	-171.5	0	112.3	F33 V37 K38 E39 Y130	F33-K35 PolarHBondContact O-N 3.25Å; K35-V37 PolarHBondContact O-N 2.85Å; K35-K38 PolarHBondContact O-N 3.06Å; K35-E39 WeakPolarHBondContact O-CG 3.36Å; K35-E39 PolarHBondContact O-N 3.35Å; K35-Y130 HydrophobicContact CD-CD1 4.49Å; K35-Y130 HydrophobicContact CD-CE1 3.93Å
36	S	93.7	Very high	84.1	Confident	54 Å²	54	64.5 Å²	64.5	38%	0.378	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-32.6	-177.3	78.2	0	0	0	0	112.1	D34 K40	D34-S36 VanDerWaalsContact C-N 3.27Å; D34-S36 PolarHBondContact O-N 3.19Å; D34-S36 WeakPolarHBondContact OD1-CB 3.22Å; D34-S36 PolarHBondContact OD1-N 3.41Å; D34-S36 PolarHBondContact OD1-OG 2.95Å; S36-K40 WeakPolarHBondContact O-CD 3.31Å; S36-K40 VanDerWaalsContact O-CG 3.26Å; S36-K40 WeakPolarHBondContact O-CG 3.38Å; S36-K40 PolarHBondContact O-N 3.08Å
37	V	94.9	Very high	86.4	Confident	26 Å²	26	65.9 Å²	65.9	16%	0.158	35%	0.351	C	S	.	.	H	α-helix	trans	-76.6	-42.1	176.8	167.3	0	0	0	0	110.5	D34 K35 E39 K40 Q41 A253 R257	D34-V37 HydrophobicContact CB-CB 4.09Å; D34-V37 HydrophobicContact CB-CG2 4.22Å; D34-V37 VanDerWaalsContact CG-CG2 3.49Å; D34-V37 PolarHBondContact O-N 3.07Å; D34-V37 VanDerWaalsContact O-N 3.16Å; D34-V37 PolarHBondContact OD1-N 3.36Å; D34-V37 WeakPolarHBondContact OD2-CG2 3.49Å; K35-V37 PolarHBondContact O-N 2.85Å; V37-E39 VanDerWaalsContact C-N 3.32Å; V37-E39 PolarHBondContact O-N 2.76Å; V37-K40 PolarHBondContact O-N 2.73Å; V37-Q41 HydrophobicContact CG1-CG 4.35Å; V37-Q41 WeakPolarHBondContact O-CG 3.4Å; V37-Q41 PolarHBondContact O-N 3.28Å; V37-A253 HydrophobicContact CG1-CB 4.45Å; V37-R257 VanDerWaalsContact CG2-NH2 3.28Å
38	K	95.4	Very high	88.7	Confident	13 Å²	13	60.8 Å²	60.8	6%	0.057	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-45.6	175.6	-173.2	70.7	-97.6	169.2	0	111.6	D34 K35 K40 Q41 R42 W150 G249 A253	D34-K38 PolarHBondContact O-N 2.9Å; K35-K38 PolarHBondContact O-N 3.06Å; K38-K40 VanDerWaalsContact C-N 3.34Å; K38-K40 PolarHBondContact O-N 3.28Å; K38-Q41 VanDerWaalsContact CE-OE1 3.25Å; K38-Q41 WeakPolarHBondContact O-CB 3.5Å; K38-Q41 PolarHBondContact O-N 3.3Å; K38-R42 PolarHBondContact O-N 3.43Å; K38-W150 HydrophobicContact CD-CB 4.21Å; K38-W150 HydrophobicContact CD-CD2 3.42Å; K38-W150 VanDerWaalsContact CD-CD2 3.42Å; K38-W150 HydrophobicContact CD-CE3 3.66Å; K38-W150 HydrophobicContact CD-CG 3.65Å; K38-W150 HydrophobicContact CD-CH2 4.46Å; K38-W150 HydrophobicContact CD-CZ2 4.29Å; K38-W150 HydrophobicContact CD-CZ3 4.16Å; K38-W150 HydrophobicContact CG-CB 4.42Å; K38-W150 HydrophobicContact CG-CD2 4.48Å; K38-W150 HydrophobicContact CG-CG 4.36Å; K38-W150 VanDerWaalsContact NZ-CE2 3.33Å; K38-G249 VanDerWaalsContact CE-O 3.31Å; K38-G249 WeakPolarHBondContact CE-O 3.45Å; K38-G249 PolarHBondContact NZ-O 3.31Å; K38-A253 HydrophobicContact CB-CB 4.42Å; K38-A253 HydrophobicContact CD-CB 4.4Å
39	E	93.9	Very high	91.1	Very high	63 Å²	63	65.7 Å²	65.7	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-43.4	176	-74.3	168.8	-173.3	0	0	111.8	K35 V37 R42 A43 H128	K35-E39 WeakPolarHBondContact O-CG 3.36Å; K35-E39 PolarHBondContact O-N 3.35Å; V37-E39 VanDerWaalsContact C-N 3.32Å; V37-E39 PolarHBondContact O-N 2.76Å; E39-R42 PolarHBondContact O-N 3.05Å; E39-A43 WeakPolarHBondContact O-CB 3.44Å; E39-A43 PolarHBondContact O-N 3.2Å; E39-H128 IonicContact OE1-CE1 2.81Å; E39-H128 PolarHBondContact OE1-CE1 2.97Å; E39-H128 IonicContact OE1-ND1 2.97Å; E39-H128 PolarHBondContact OE1-ND1 2.91Å; E39-H128 VanDerWaalsContact OE1-ND1 3.08Å
40	K	95.3	Very high	92.9	Very high	144 Å²	144	61.3 Å²	61.3	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-64.9	-39.8	175.1	-73.4	169.3	-173.4	170.4	0	112.5	S36 V37 K38 R44	S36-K40 WeakPolarHBondContact O-CD 3.31Å; S36-K40 VanDerWaalsContact O-CG 3.26Å; S36-K40 WeakPolarHBondContact O-CG 3.38Å; S36-K40 PolarHBondContact O-N 3.08Å; V37-K40 PolarHBondContact O-N 2.73Å; K38-K40 VanDerWaalsContact C-N 3.34Å; K38-K40 PolarHBondContact O-N 3.28Å; K40-R44 WeakPolarHBondContact O-CB 3.1Å; K40-R44 PolarHBondContact O-N 3.37Å
41	Q	95.6	Very high	93.8	Very high	29 Å²	29	57.2 Å²	57.2	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-44.2	175.8	-73.3	169.9	-9.6	0	0	110.9	V37 K38 R44 S45 S251 N252	V37-Q41 HydrophobicContact CG1-CG 4.35Å; V37-Q41 WeakPolarHBondContact O-CG 3.4Å; V37-Q41 PolarHBondContact O-N 3.28Å; K38-Q41 VanDerWaalsContact CE-OE1 3.25Å; K38-Q41 WeakPolarHBondContact O-CB 3.5Å; K38-Q41 PolarHBondContact O-N 3.3Å; Q41-R44 PolarHBondContact O-N 3.45Å; Q41-S45 PolarHBondContact O-N 2.91Å; Q41-S251 PolarHBondContact NE2-O 3.09Å; Q41-S251 PolarHBondContact OE1-O 3.06Å; Q41-S251 VanDerWaalsContact OE1-O 3.08Å; Q41-N252 PolarHBondContact NE2-O 3.15Å; Q41-N252 VanDerWaalsContact NE2-O 3.11Å
42	R	94.4	Very high	93.9	Very high	27 Å²	27	57.8 Å²	57.8	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-40.8	177.6	-173.1	179.1	-65.5	146.9	-18.1	112.9	K38 E39 R44 S45 D105 S106 V110 E129	K38-R42 PolarHBondContact O-N 3.43Å; E39-R42 PolarHBondContact O-N 3.05Å; R42-R44 VanDerWaalsContact C-N 3.31Å; R42-S45 PolarHBondContact O-OG 2.93Å; R42-D105 WeakPolarHBondContact CD-OD1 3.26Å; R42-D105 IonicContact NE-OD1 2.72Å; R42-D105 IonicContact NE-OD2 2.63Å; R42-D105 IonicContact NH1-OD1 3.83Å; R42-S106 PolarHBondContact NH1-OG 3.02Å; R42-V110 HydrophobicContact CG-CG2 3.91Å; R42-V110 VanDerWaalsContact O-CG2 3.29Å; R42-V110 WeakPolarHBondContact O-CG2 3.39Å; R42-E129 IonicContact CZ-OE1 3.8Å; R42-E129 IonicContact NH1-OE1 3.08Å; R42-E129 PolarHBondContact NH1-OE1 2.91Å; R42-E129 IonicContact NH1-OE2 3.66Å; R42-E129 IonicContact NH2-OE1 2.87Å; R42-E129 PolarHBondContact NH2-OE1 3.08Å
43	A	95.2	Very high	94	Very high	26 Å²	26	60.6 Å²	60.6	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-41.1	173.1	0	0	0	0	0	110.9	E39 S45 A46 L47	E39-A43 WeakPolarHBondContact O-CB 3.44Å; E39-A43 PolarHBondContact O-N 3.2Å; A43-S45 PolarHBondContact O-N 2.72Å; A43-A46 PolarHBondContact O-N 3.07Å; A43-L47 WeakPolarHBondContact O-CG 3.32Å; A43-L47 PolarHBondContact O-N 2.65Å
44	R	95.4	Very high	94	Very high	112 Å²	112	61.5 Å²	61.5	42%	0.423	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-38.4	178.7	-180	-178.6	179.4	149.4	12.6	112.8	K40 Q41 R42 A46 L47 T48 R246	K40-R44 WeakPolarHBondContact O-CB 3.1Å; K40-R44 PolarHBondContact O-N 3.37Å; Q41-R44 PolarHBondContact O-N 3.45Å; R42-R44 VanDerWaalsContact C-N 3.31Å; R44-A46 PolarHBondContact O-N 3.09Å; R44-L47 PolarHBondContact O-N 3.31Å; R44-T48 PolarHBondContact O-N 2.86Å; R44-R246 VanDerWaalsContact CZ-NH2 3.32Å
45	S	95.2	Very high	93.9	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.028	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-40.8	176.7	61.5	0	0	0	0	110.4	Q41 R42 A43 L47 T48 R86 F247	Q41-S45 PolarHBondContact O-N 2.91Å; R42-S45 PolarHBondContact O-OG 2.93Å; A43-S45 PolarHBondContact O-N 2.72Å; S45-L47 VanDerWaalsContact C-N 3.31Å; S45-L47 PolarHBondContact O-N 3.06Å; S45-T48 WeakPolarHBondContact O-CG2 3.17Å; S45-R86 PolarHBondContact O-NH2 3.08Å; S45-F247 WeakPolarHBondContact CA-O 3.08Å; S45-F247 WeakPolarHBondContact CB-O 3.46Å
46	A	94	Very high	94	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-28.7	175.4	0	0	0	0	0	113.9	A43 R44 E109 V110 Q113	A43-A46 PolarHBondContact O-N 3.07Å; R44-A46 PolarHBondContact O-N 3.09Å; A46-E109 HydrophobicContact CB-CB 3.84Å; A46-V110 HydrophobicContact CB-CB 4.5Å; A46-V110 HydrophobicContact CB-CG2 3.68Å; A46-Q113 PolarHBondContact O-NE2 3.42Å
47	L	94.3	Very high	94.1	Very high	120 Å²	120	57.2 Å²	57.2	63%	0.628	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	0.5	-172.9	-64.7	172.2	0	0	0	114.2	A43 R44 S45 E109	A43-L47 WeakPolarHBondContact O-CG 3.32Å; A43-L47 PolarHBondContact O-N 2.65Å; R44-L47 PolarHBondContact O-N 3.31Å; S45-L47 VanDerWaalsContact C-N 3.31Å; S45-L47 PolarHBondContact O-N 3.06Å; L47-E109 HydrophobicContact CD1-CG 4.49Å; L47-E109 HydrophobicContact CD2-CG 4.36Å; L47-E109 HydrophobicContact CG-CG 4.46Å
48	T	92	Very high	94.1	Very high	27 Å²	27	57.6 Å²	57.6	17%	0.166	28%	0.278	C	S	.	.	S	Bend	trans	-73.8	160.8	175.6	-163	0	0	0	0	111.7	R44 S45 D50 P51 Y54 F247	R44-T48 PolarHBondContact O-N 2.86Å; S45-T48 WeakPolarHBondContact O-CG2 3.17Å; T48-D50 PolarHBondContact O-N 2.94Å; T48-P51 HydrophobicContact CG2-CB 4.03Å; T48-P51 WeakPolarHBondContact O-CD 3.48Å; T48-Y54 HydrophobicContact CG2-CD2 4.22Å; T48-Y54 HydrophobicContact CG2-CE2 4.16Å; T48-F247 HydrophobicContact CG2-CD1 3.98Å; T48-F247 VanDerWaalsContact OG1-CD1 3.28Å; T48-F247 WeakPolarHBondContact OG1-CD1 3.16Å; T48-F247 WeakPolarHBondContact OG1-CE1 3.5Å
49	D	90.7	Very high	94.1	Very high	150 Å²	150	59.1 Å²	59.1	80%	0.802	29%	0.285	S	S	*	.	S	Bend	trans	-64.7	131.3	168.3	-61.4	-35.6	0	0	0	109.4
50	D	92.3	Very high	94.3	Very high	104 Å²	104	59.9 Å²	59.9	56%	0.556	29%	0.289	S	S	*	.	S	Bend	trans	46.9	64.6	-177.8	-159.7	7.8	0	0	0	114.8	T48 H52 M53	T48-D50 PolarHBondContact O-N 2.94Å; D50-H52 PolarHBondContact O-N 2.76Å; D50-H52 VanDerWaalsContact O-N 3.09Å; D50-M53 WeakPolarHBondContact O-CB 3.4Å; D50-M53 PolarHBondContact O-N 2.83Å; D50-M53 VanDerWaalsContact O-N 3.1Å
51	P	91.9	Very high	94.4	Very high	27 Å²	27	53 Å²	53	18%	0.175	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-61.1	-24.9	-172.6	23	-31.8	0	0	0	114.3	T48 M53 Y54 R86	T48-P51 HydrophobicContact CG2-CB 4.03Å; T48-P51 WeakPolarHBondContact O-CD 3.48Å; P51-M53 VanDerWaalsContact C-N 3.26Å; P51-M53 PolarHBondContact O-N 3.07Å; P51-Y54 PolarHBondContact O-N 3.38Å; P51-R86 VanDerWaalsContact CB-NH2 3.31Å
52	H	92.1	Very high	94.5	Very high	91 Å²	91	51.7 Å²	51.7	42%	0.421	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-67.7	-26.2	-179.9	-172.9	-55.1	0	0	0	112.1	D50 Y54 D55 E59	D50-H52 PolarHBondContact O-N 2.76Å; D50-H52 VanDerWaalsContact O-N 3.09Å; H52-Y54 PolarHBondContact O-N 3.39Å; H52-D55 PolarHBondContact O-N 3.38Å; H52-D55 VanDerWaalsContact O-N 3.07Å; H52-E59 IonicContact CE1-OE1 2.68Å; H52-E59 PolarHBondContact CE1-OE1 2.96Å; H52-E59 VanDerWaalsContact CE1-OE1 3.26Å; H52-E59 IonicContact CE1-OE2 3.49Å; H52-E59 IonicContact ND1-OE1 3.59Å; H52-E59 IonicContact NE2-OE1 3.21Å; H52-E59 PolarHBondContact NE2-OE1 3.01Å
53	M	94	Very high	94.6	Very high	121 Å²	121	54 Å²	54	60%	0.596	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.4	-24.3	178.2	-178.2	173.6	-90.5	0	0	112.5	D50 P51 Y56	D50-M53 WeakPolarHBondContact O-CB 3.4Å; D50-M53 PolarHBondContact O-N 2.83Å; D50-M53 VanDerWaalsContact O-N 3.1Å; P51-M53 VanDerWaalsContact C-N 3.26Å; P51-M53 PolarHBondContact O-N 3.07Å; M53-Y56 WeakPolarHBondContact O-CD1 3.29Å
54	Y	95	Very high	94.8	Very high	33 Å²	33	55.7 Å²	55.7	13%	0.129	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-100.1	3.7	-178.1	-56.4	-75.1	0	0	0	113.9	T48 P51 H52 D244 F247 M248	T48-Y54 HydrophobicContact CG2-CD2 4.22Å; T48-Y54 HydrophobicContact CG2-CE2 4.16Å; P51-Y54 PolarHBondContact O-N 3.38Å; H52-Y54 PolarHBondContact O-N 3.39Å; Y54-D244 HydrophobicContact CD1-CB 4.44Å; Y54-D244 VanDerWaalsContact CE1-OD1 3.32Å; Y54-D244 WeakPolarHBondContact CE1-OD1 3.39Å; Y54-F247 HydrophobicContact CD1-CB 3.67Å; Y54-F247 HydrophobicContact CD1-CD2 4.49Å; Y54-F247 HydrophobicContact CD2-CB 3.5Å; Y54-F247 HydrophobicContact CD2-CG 4.22Å; Y54-F247 HydrophobicContact CE1-CB 3.83Å; Y54-F247 AromaticContact CE1-CD2 3.8Å; Y54-F247 HydrophobicContact CE1-CD2 3.8Å; Y54-F247 HydrophobicContact CE1-CG 4.18Å; Y54-F247 HydrophobicContact CE2-CB 3.65Å; Y54-F247 HydrophobicContact CE2-CD2 4.01Å; Y54-F247 AromaticContact CE2-CG 3.85Å; Y54-F247 HydrophobicContact CE2-CG 3.85Å; Y54-F247 HydrophobicContact CG-CB 3.5Å; Y54-F247 VanDerWaalsContact CG-CB 3.5Å; Y54-F247 AromaticContact CZ-CD2 3.51Å; Y54-F247 AromaticContact CZ-CG 3.83Å; Y54-M248 WeakPolarHBondContact O-CE 3.49Å; Y54-M248 WeakPolarHBondContact O-CG 3.33Å
55	D	94	Very high	94.9	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.248	C	C	.	.			trans	-91.6	-3.7	-172.3	-77.5	-19.3	0	0	0	114.5	H52 I57 R58 E59 R86 H88	H52-D55 PolarHBondContact O-N 3.38Å; H52-D55 VanDerWaalsContact O-N 3.07Å; D55-I57 VanDerWaalsContact C-N 3.3Å; D55-I57 PolarHBondContact O-N 2.85Å; D55-I57 VanDerWaalsContact O-N 3.12Å; D55-R58 WeakPolarHBondContact O-CA 3.35Å; D55-R58 PolarHBondContact O-N 3.4Å; D55-E59 HydrophobicContact CB-CG 4.29Å; D55-E59 WeakPolarHBondContact O-CG 3.26Å; D55-E59 PolarHBondContact O-N 3.49Å; D55-R86 IonicContact OD1-CZ 3.77Å; D55-R86 IonicContact OD1-NH1 2.77Å; D55-R86 PolarHBondContact OD1-NH1 3.22Å; D55-R86 IonicContact OD2-CZ 3.7Å; D55-R86 IonicContact OD2-NH1 3.75Å; D55-R86 PolarHBondContact OD2-NH1 3.11Å; D55-H88 IonicContact OD1-CE1 3.33Å; D55-H88 IonicContact OD1-NE2 2.73Å; D55-H88 PolarHBondContact OD1-NE2 3.34Å; D55-H88 IonicContact OD2-CD2 2.73Å; D55-H88 IonicContact OD2-CE1 3.8Å; D55-H88 IonicContact OD2-NE2 2.83Å; D55-H88 PolarHBondContact OD2-NE2 2.91Å
56	Y	95.2	Very high	95	Very high	72 Å²	72	50.3 Å²	50.3	28%	0.282	25%	0.248	S	C	.	.	H	α-helix	trans	-51.3	-40.9	-173.9	57.7	-91.6	0	0	0	114.4	M53 E60 I233 Y235 D244 M248	M53-Y56 WeakPolarHBondContact O-CD1 3.29Å; Y56-E60 VanDerWaalsContact O-CB 3.3Å; Y56-E60 WeakPolarHBondContact O-CB 3.33Å; Y56-E60 PolarHBondContact O-N 3Å; Y56-I233 HydrophobicContact CD2-CD1 4.13Å; Y56-I233 HydrophobicContact CE2-CD1 3.6Å; Y56-I233 HydrophobicContact CE2-CG2 4.29Å; Y56-Y235 PolarHBondContact OH-OH 3.29Å; Y56-D244 WeakPolarHBondContact CE1-OD2 3.48Å; Y56-D244 PolarHBondContact OH-OD2 3.35Å; Y56-M248 HydrophobicContact CD1-CE 4.24Å; Y56-M248 HydrophobicContact CD2-CE 4.49Å; Y56-M248 HydrophobicContact CE1-CE 3.46Å; Y56-M248 VanDerWaalsContact CE1-CE 3.46Å; Y56-M248 HydrophobicContact CE2-CE 3.75Å; Y56-M248 WeakPolarHBondContact OH-CE 3.41Å
57	I	95.2	Very high	95.1	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-43.8	175.8	-53	-173.2	0	0	0	110.7	D55 E59 V61 M146 I233 M248 Y294	D55-I57 VanDerWaalsContact C-N 3.3Å; D55-I57 PolarHBondContact O-N 2.85Å; D55-I57 VanDerWaalsContact O-N 3.12Å; I57-E59 VanDerWaalsContact C-N 3.32Å; I57-E59 PolarHBondContact O-N 3.35Å; I57-V61 HydrophobicContact CG2-CG2 4.16Å; I57-V61 VanDerWaalsContact O-CB 3.31Å; I57-V61 WeakPolarHBondContact O-CB 3.39Å; I57-V61 WeakPolarHBondContact O-CG2 3.49Å; I57-V61 PolarHBondContact O-N 2.97Å; I57-M146 HydrophobicContact CG2-CE 4.38Å; I57-I233 HydrophobicContact CD1-CD1 3.33Å; I57-I233 HydrophobicContact CG1-CD1 3.39Å; I57-M248 HydrophobicContact CD1-CE 3.61Å; I57-M248 HydrophobicContact CD1-SD 3.89Å; I57-M248 HydrophobicContact CG1-CE 3.77Å; I57-M248 HydrophobicContact CG1-SD 4.44Å; I57-Y294 HydrophobicContact CD1-CD1 4.19Å; I57-Y294 HydrophobicContact CD1-CD2 4.05Å; I57-Y294 HydrophobicContact CD1-CE1 3.66Å; I57-Y294 HydrophobicContact CD1-CE2 3.52Å; I57-Y294 HydrophobicContact CD1-CG 4.36Å
58	R	95.7	Very high	95.2	Very high	34 Å²	34	51.7 Å²	51.7	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-35.9	-178.5	-70.4	-156	178.9	97	1.7	111.7	D55 A62 H88 M248 E250	D55-R58 WeakPolarHBondContact O-CA 3.35Å; D55-R58 PolarHBondContact O-N 3.4Å; R58-A62 WeakPolarHBondContact O-CB 3.43Å; R58-A62 PolarHBondContact O-N 2.99Å; R58-H88 HydrophobicContact CB-CB 4.28Å; R58-M248 VanDerWaalsContact CZ-O 3.27Å; R58-M248 PolarHBondContact NH1-O 3.3Å; R58-M248 PolarHBondContact NH2-O 3.48Å; R58-E250 IonicContact CZ-OE1 3.96Å; R58-E250 IonicContact NH2-OE1 4Å; R58-E250 PolarHBondContact NH2-OE1 3.06Å
59	E	95.6	Very high	95.5	Very high	44 Å²	44	50.5 Å²	50.5	21%	0.206	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-50	175.9	-68.5	-179.4	167.7	0	0	111.1	H52 D55 I57 V61 A62 D63 F92	H52-E59 IonicContact CE1-OE1 2.68Å; H52-E59 PolarHBondContact CE1-OE1 2.96Å; H52-E59 VanDerWaalsContact CE1-OE1 3.26Å; H52-E59 IonicContact CE1-OE2 3.49Å; H52-E59 IonicContact ND1-OE1 3.59Å; H52-E59 IonicContact NE2-OE1 3.21Å; H52-E59 PolarHBondContact NE2-OE1 3.01Å; D55-E59 HydrophobicContact CB-CG 4.29Å; D55-E59 WeakPolarHBondContact O-CG 3.26Å; D55-E59 PolarHBondContact O-N 3.49Å; I57-E59 VanDerWaalsContact C-N 3.32Å; I57-E59 PolarHBondContact O-N 3.35Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 2.7Å; E59-A62 PolarHBondContact O-N 3.15Å; E59-D63 PolarHBondContact O-N 3.34Å; E59-F92 WeakPolarHBondContact O-CE2 3.41Å
60	E	97.2	Very high	95.7	Very high	80 Å²	80	46.9 Å²	46.9	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-57.5	-45.9	176.2	179.3	65.1	-160.4	0	0	111.9	Y56 D63 R64 I231	Y56-E60 VanDerWaalsContact O-CB 3.3Å; Y56-E60 WeakPolarHBondContact O-CB 3.33Å; Y56-E60 PolarHBondContact O-N 3Å; E60-D63 PolarHBondContact O-N 2.92Å; E60-R64 WeakPolarHBondContact O-CG 3.45Å; E60-R64 PolarHBondContact O-N 3.28Å; E60-R64 VanDerWaalsContact O-N 3.1Å; E60-R64 IonicContact OE1-CZ 3.69Å; E60-R64 IonicContact OE1-NE 3.79Å; E60-R64 PolarHBondContact OE1-NE 3Å; E60-R64 IonicContact OE1-NH2 3.35Å; E60-R64 PolarHBondContact OE1-NH2 3.09Å; E60-I231 HydrophobicContact CG-CD1 3.7Å
61	V	98	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69.2	-35.3	179.4	173.8	0	0	0	0	111.9	I57 E59 L65 M146 V174 I231 L296	I57-V61 HydrophobicContact CG2-CG2 4.16Å; I57-V61 VanDerWaalsContact O-CB 3.31Å; I57-V61 WeakPolarHBondContact O-CB 3.39Å; I57-V61 WeakPolarHBondContact O-CG2 3.49Å; I57-V61 PolarHBondContact O-N 2.97Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 2.7Å; V61-L65 WeakPolarHBondContact O-CB 3.29Å; V61-L65 PolarHBondContact O-N 3.39Å; V61-M146 HydrophobicContact CB-CG 4.26Å; V61-M146 HydrophobicContact CG1-CG 3.8Å; V61-M146 HydrophobicContact CG1-SD 4.12Å; V61-M146 HydrophobicContact CG2-SD 4.47Å; V61-V174 HydrophobicContact CG1-CB 4.18Å; V61-V174 HydrophobicContact CG1-CG1 3.3Å; V61-V174 HydrophobicContact CG1-CG2 3.8Å; V61-I231 HydrophobicContact CG2-CD1 3.99Å; V61-L296 HydrophobicContact CG2-CD1 3.46Å; V61-L296 VanDerWaalsContact CG2-CD1 3.46Å; V61-L296 HydrophobicContact CG2-CD2 4.05Å; V61-L296 HydrophobicContact CG2-CG 4.41Å
62	A	97.5	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-40.9	175.9	0	0	0	0	0	112.2	R58 E59 L65 A66 H88 L89 F92	R58-A62 WeakPolarHBondContact O-CB 3.43Å; R58-A62 PolarHBondContact O-N 2.99Å; E59-A62 PolarHBondContact O-N 3.15Å; A62-L65 PolarHBondContact O-N 3.32Å; A62-A66 WeakPolarHBondContact O-CB 3.02Å; A62-A66 PolarHBondContact O-N 2.78Å; A62-H88 HydrophobicContact CB-CB 4.16Å; A62-H88 VanDerWaalsContact CB-O 3.26Å; A62-H88 WeakPolarHBondContact CB-O 3.38Å; A62-L89 HydrophobicContact CB-CB 4.39Å; A62-L89 HydrophobicContact CB-CD1 4.18Å; A62-L89 WeakPolarHBondContact O-CD1 3.27Å; A62-F92 HydrophobicContact CB-CD2 3.93Å; A62-F92 HydrophobicContact CB-CE2 3.96Å
63	D	97	Very high	96	Very high	76 Å²	76	49.5 Å²	49.5	41%	0.406	25%	0.25	S	C	.	.	H	α-helix	trans	-61.7	-49	175.1	-170.4	40.3	0	0	0	111	E59 E60 L65 A66 D67 F92	E59-D63 PolarHBondContact O-N 3.34Å; E60-D63 PolarHBondContact O-N 2.92Å; D63-L65 VanDerWaalsContact C-N 3.26Å; D63-L65 PolarHBondContact O-N 3.46Å; D63-A66 WeakPolarHBondContact O-CB 3.38Å; D63-A66 PolarHBondContact O-N 2.84Å; D63-D67 PolarHBondContact O-N 3.26Å; D63-F92 HydrophobicContact CB-CD1 4.16Å; D63-F92 HydrophobicContact CB-CD2 4.22Å; D63-F92 HydrophobicContact CB-CE1 3.95Å; D63-F92 HydrophobicContact CB-CE2 4Å; D63-F92 HydrophobicContact CB-CG 4.3Å; D63-F92 HydrophobicContact CB-CZ 3.87Å; D63-F92 WeakPolarHBondContact OD1-CD1 3.47Å
64	R	97.8	Very high	95.9	Very high	62 Å²	62	47.3 Å²	47.3	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-30.5	175.7	-69	-178.3	-169.7	-157.5	6.3	114	E60 R68 D229 Y298	E60-R64 WeakPolarHBondContact O-CG 3.45Å; E60-R64 PolarHBondContact O-N 3.28Å; E60-R64 VanDerWaalsContact O-N 3.1Å; E60-R64 IonicContact OE1-CZ 3.69Å; E60-R64 IonicContact OE1-NE 3.79Å; E60-R64 PolarHBondContact OE1-NE 3Å; E60-R64 IonicContact OE1-NH2 3.35Å; E60-R64 PolarHBondContact OE1-NH2 3.09Å; R64-R68 PolarHBondContact O-N 2.92Å; R64-R68 PolarHBondContact O-NH1 3.48Å; R64-D229 IonicContact CZ-OD2 3.57Å; R64-D229 IonicContact NH1-OD1 3.21Å; R64-D229 IonicContact NH1-OD2 2.8Å; R64-D229 PolarHBondContact NH1-OD2 2.75Å; R64-Y298 HydrophobicContact CB-CE1 4.3Å; R64-Y298 WeakPolarHBondContact CB-OH 3.08Å; R64-Y298 WeakPolarHBondContact CD-OH 3.46Å
65	L	98	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-75.1	-38.9	174.1	-171.4	70	0	0	0	111.4	V61 A62 D63 D67 R68 L69 L89 L143 L172 V174 Y298	V61-L65 WeakPolarHBondContact O-CB 3.29Å; V61-L65 PolarHBondContact O-N 3.39Å; A62-L65 PolarHBondContact O-N 3.32Å; D63-L65 VanDerWaalsContact C-N 3.26Å; D63-L65 PolarHBondContact O-N 3.46Å; L65-D67 VanDerWaalsContact C-N 3.33Å; L65-R68 PolarHBondContact O-N 3.13Å; L65-L69 PolarHBondContact O-N 3Å; L65-L89 HydrophobicContact CB-CD1 4.31Å; L65-L89 HydrophobicContact CD2-CD1 4.12Å; L65-L89 HydrophobicContact CD2-CD2 3.96Å; L65-L143 HydrophobicContact CD2-CD2 4.49Å; L65-L172 HydrophobicContact CD1-CD1 4.01Å; L65-L172 HydrophobicContact CD1-CD2 4.36Å; L65-L172 HydrophobicContact CD1-CG 3.83Å; L65-L172 HydrophobicContact CG-CG 4.46Å; L65-V174 HydrophobicContact CB-CG1 4.31Å; L65-V174 HydrophobicContact CD1-CB 4.24Å; L65-V174 HydrophobicContact CD1-CG1 4.11Å; L65-V174 HydrophobicContact CD2-CG1 4.1Å; L65-V174 HydrophobicContact CG-CG1 4.41Å; L65-Y298 HydrophobicContact CD1-CD1 4.04Å; L65-Y298 HydrophobicContact CD1-CE1 4.36Å
66	A	96.9	Very high	96.1	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-37.4	175.8	0	0	0	0	0	111.5	A62 D63 R68 L69 N70 L89 F92	A62-A66 WeakPolarHBondContact O-CB 3.02Å; A62-A66 PolarHBondContact O-N 2.78Å; D63-A66 WeakPolarHBondContact O-CB 3.38Å; D63-A66 PolarHBondContact O-N 2.84Å; A66-R68 VanDerWaalsContact C-N 3.35Å; A66-R68 PolarHBondContact O-N 2.81Å; A66-L69 WeakPolarHBondContact O-CA 3.43Å; A66-L69 VanDerWaalsContact O-CB 3.31Å; A66-L69 WeakPolarHBondContact O-CB 3.49Å; A66-L69 PolarHBondContact O-N 3.41Å; A66-N70 VanDerWaalsContact O-CG 3.25Å; A66-N70 PolarHBondContact O-N 2.71Å; A66-N70 PolarHBondContact O-ND2 2.82Å; A66-L89 HydrophobicContact CB-CD1 4.35Å; A66-F92 HydrophobicContact CB-CB 3.51Å
67	D	96.8	Very high	96.2	Very high	92 Å²	92	52.2 Å²	52.2	49%	0.492	26%	0.263	S	S	.	.	H	α-helix	trans	-58.3	-45.8	172.9	-166.3	42.6	0	0	0	111.7	D63 L65 L69 N70 D71	D63-D67 PolarHBondContact O-N 3.26Å; L65-D67 VanDerWaalsContact C-N 3.33Å; D67-L69 VanDerWaalsContact C-N 3.26Å; D67-L69 PolarHBondContact O-N 3.43Å; D67-N70 WeakPolarHBondContact O-CA 3.36Å; D67-N70 VanDerWaalsContact O-CB 3.32Å; D67-N70 WeakPolarHBondContact O-CB 3.42Å; D67-N70 PolarHBondContact O-N 3.13Å; D67-D71 PolarHBondContact O-N 2.99Å
68	R	97.2	Very high	96.3	Very high	60 Å²	60	53.3 Å²	53.3	23%	0.226	27%	0.27	C	S	.	.	H	α-helix	trans	-65.1	-27.7	174	-72.7	168.2	173.5	69.2	-0.6	113.6	R64 L65 A66 D227	R64-R68 PolarHBondContact O-N 2.92Å; R64-R68 PolarHBondContact O-NH1 3.48Å; L65-R68 PolarHBondContact O-N 3.13Å; A66-R68 VanDerWaalsContact C-N 3.35Å; A66-R68 PolarHBondContact O-N 2.81Å; R68-D227 IonicContact CZ-OD2 3.73Å; R68-D227 IonicContact NE-OD2 3.92Å; R68-D227 IonicContact NH2-OD2 3.91Å; R68-D227 PolarHBondContact NH2-OD2 3.2Å
69	L	97.4	Very high	96.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-70.6	-35.5	171.2	176.2	65.6	0	0	0	110.9	L65 A66 D67 D71 I72 F76 I93 N97 I98 L141 L172	L65-L69 PolarHBondContact O-N 3Å; A66-L69 WeakPolarHBondContact O-CA 3.43Å; A66-L69 VanDerWaalsContact O-CB 3.31Å; A66-L69 WeakPolarHBondContact O-CB 3.49Å; A66-L69 PolarHBondContact O-N 3.41Å; D67-L69 VanDerWaalsContact C-N 3.26Å; D67-L69 PolarHBondContact O-N 3.43Å; L69-D71 VanDerWaalsContact C-N 3.28Å; L69-D71 PolarHBondContact O-N 2.88Å; L69-I72 HydrophobicContact CD1-CD1 4.24Å; L69-I72 WeakPolarHBondContact O-CB 3.29Å; L69-I72 PolarHBondContact O-N 2.88Å; L69-I72 VanDerWaalsContact O-N 3.14Å; L69-F76 HydrophobicContact CD1-CD2 4.31Å; L69-F76 HydrophobicContact CD1-CE2 3.94Å; L69-I93 HydrophobicContact CD2-CD1 3.47Å; L69-I93 VanDerWaalsContact CD2-CD1 3.47Å; L69-N97 HydrophobicContact CD2-CB 4.09Å; L69-N97 HydrophobicContact CG-CB 4.13Å; L69-N97 PolarHBondContact O-ND2 2.8Å; L69-I98 HydrophobicContact CD2-CD1 3.82Å; L69-I98 HydrophobicContact CD2-CG1 4.21Å; L69-L141 HydrophobicContact CD1-CD2 3.61Å; L69-L141 HydrophobicContact CD2-CD2 4.35Å; L69-L172 HydrophobicContact CB-CD2 3.89Å; L69-L172 HydrophobicContact CD1-CD2 4.3Å
70	N	95.7	Very high	96.6	Very high	74 Å²	74	49.6 Å²	49.6	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-28.7	178.1	-63.9	-28.9	0	0	0	112.7	A66 D67 I72 N97	A66-N70 VanDerWaalsContact O-CG 3.25Å; A66-N70 PolarHBondContact O-N 2.71Å; A66-N70 PolarHBondContact O-ND2 2.82Å; D67-N70 WeakPolarHBondContact O-CA 3.36Å; D67-N70 VanDerWaalsContact O-CB 3.32Å; D67-N70 WeakPolarHBondContact O-CB 3.42Å; D67-N70 PolarHBondContact O-N 3.13Å; N70-I72 PolarHBondContact O-N 2.88Å; N70-N97 PolarHBondContact OD1-OD1 3.36Å
71	D	94.8	Very high	96.6	Very high	126 Å²	126	45.9 Å²	45.9	67%	0.674	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.9	172.7	-72.8	-27.6	0	0	0	113.6	D67 L69 S73	D67-D71 PolarHBondContact O-N 2.99Å; L69-D71 VanDerWaalsContact C-N 3.28Å; L69-D71 PolarHBondContact O-N 2.88Å; D71-S73 PolarHBondContact O-N 3.45Å
72	I	95.6	Very high	96.6	Very high	22 Å²	22	45.9 Å²	45.9	11%	0.113	24%	0.236	C	C	.	.	S	Bend	trans	-82.6	111.6	178.2	-56.2	177.9	0	0	0	109.2	L69 N70 R74 F76 L172 I300 W302	L69-I72 HydrophobicContact CD1-CD1 4.24Å; L69-I72 WeakPolarHBondContact O-CB 3.29Å; L69-I72 PolarHBondContact O-N 2.88Å; L69-I72 VanDerWaalsContact O-N 3.14Å; N70-I72 PolarHBondContact O-N 2.88Å; I72-R74 HydrophobicContact CG2-CG 3.82Å; I72-R74 PolarHBondContact O-N 3.29Å; I72-F76 HydrophobicContact CB-CE2 4.37Å; I72-F76 HydrophobicContact CD1-CE2 4.38Å; I72-F76 HydrophobicContact CD1-CZ 4.22Å; I72-F76 HydrophobicContact CG2-CE2 3.83Å; I72-F76 HydrophobicContact CG2-CZ 3.85Å; I72-L172 HydrophobicContact CD1-CD2 4.44Å; I72-I300 HydrophobicContact CD1-CD1 3.7Å; I72-W302 HydrophobicContact CD1-CZ2 4.44Å; I72-W302 HydrophobicContact CG2-CH2 3.99Å
73	S	90.6	Very high	96.5	Very high	130 Å²	130	46.2 Å²	46.2	91%	0.909	24%	0.24	S	C	*	.			trans	-75.5	48.7	-175.5	56.4	0	0	0	0	114.9	D71	D71-S73 PolarHBondContact O-N 3.45Å
74	R	92.4	Very high	96.5	Very high	75 Å²	75	42.8 Å²	42.8	28%	0.283	22%	0.222	S	C	.	.	S	Bend	trans	-159.3	160.7	172	64.5	178.5	-144	-174.5	7.5	112.1	I72 F76 D168	I72-R74 HydrophobicContact CG2-CG 3.82Å; I72-R74 PolarHBondContact O-N 3.29Å; R74-F76 HydrophobicContact CG-CE2 4.18Å; R74-F76 HydrophobicContact CG-CZ 4.27Å; R74-F76 VanDerWaalsContact NE-CE1 3.29Å; R74-D168 PolarHBondContact NH1-O 3.34Å; R74-D168 IonicContact NH1-OD2 3.87Å; R74-D168 PolarHBondContact NH1-OD2 2.91Å; R74-D168 PolarHBondContact NH2-O 3.1Å
75	K	95.6	Very high	96.3	Very high	111 Å²	111	40.4 Å²	40.4	48%	0.483	22%	0.216	S	C	.	.			trans	-93.3	139.3	171	-175.7	166.9	177.6	161.4	0	111.2	S95 D96 N97	K75-S95 WeakPolarHBondContact CE-O 3.41Å; K75-S95 PolarHBondContact NZ-O 3.41Å; K75-D96 WeakPolarHBondContact CB-O 3.35Å; K75-D96 WeakPolarHBondContact CG-O 3.32Å; K75-N97 WeakPolarHBondContact CA-O 3.5Å
76	F	97.8	Very high	96.1	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.2	174.7	-61	-95.6	0	0	0	109.5	L69 I72 R74 N97 I98 G99 D140 L141	L69-F76 HydrophobicContact CD1-CD2 4.31Å; L69-F76 HydrophobicContact CD1-CE2 3.94Å; I72-F76 HydrophobicContact CB-CE2 4.37Å; I72-F76 HydrophobicContact CD1-CE2 4.38Å; I72-F76 HydrophobicContact CD1-CZ 4.22Å; I72-F76 HydrophobicContact CG2-CE2 3.83Å; I72-F76 HydrophobicContact CG2-CZ 3.85Å; R74-F76 HydrophobicContact CG-CE2 4.18Å; R74-F76 HydrophobicContact CG-CZ 4.27Å; R74-F76 VanDerWaalsContact NE-CE1 3.29Å; F76-N97 PolarHBondContact N-O 2.85Å; F76-I98 CarbonylContact O-C 3.57Å; F76-I98 WeakPolarHBondContact O-CA 3.41Å; F76-G99 PolarHBondContact O-N 3.47Å; F76-D140 HydrophobicContact CB-CB 4.12Å; F76-D140 HydrophobicContact CD1-CB 3.89Å; F76-D140 VanDerWaalsContact CD1-O 3.29Å; F76-D140 WeakPolarHBondContact CD1-O 3.42Å; F76-D140 WeakPolarHBondContact CE1-O 3.23Å; F76-L141 HydrophobicContact CB-CB 3.99Å; F76-L141 HydrophobicContact CB-CD2 4.46Å; F76-L141 HydrophobicContact CD1-CB 3.59Å; F76-L141 HydrophobicContact CD1-CG 4.48Å; F76-L141 HydrophobicContact CD2-CB 4.44Å; F76-L141 HydrophobicContact CD2-CD2 4.04Å; F76-L141 HydrophobicContact CE1-CB 3.99Å; F76-L141 HydrophobicContact CE1-CD1 4.21Å; F76-L141 HydrophobicContact CE2-CD2 4.36Å; F76-L141 HydrophobicContact CG-CB 3.79Å; F76-L141 HydrophobicContact CG-CD2 4.16Å; F76-L141 HydrophobicContact CZ-CD1 4.25Å
77	D	97.6	Very high	96	Very high	99 Å²	99	41.7 Å²	41.7	53%	0.529	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-43.5	-175.1	-66.7	-36.1	0	0	0	112	G99 V100 D140	D77-G99 CarbonylContact O-C 3.57Å; D77-G99 WeakPolarHBondContact O-CA 3.47Å; D77-V100 PolarHBondContact O-N 2.93Å; D77-D140 WeakPolarHBondContact CB-OD2 3.34Å; D77-D140 PolarHBondContact N-OD2 2.89Å
78	V	98.2	Very high	95.9	Very high	30 Å²	30	37.7 Å²	37.7	18%	0.182	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116	-177.2	-171.6	0	0	0	0	111	Y102 L139 D140 L141	V78-Y102 HydrophobicContact CG1-CD2 3.91Å; V78-Y102 HydrophobicContact CG1-CE2 3.61Å; V78-L139 HydrophobicContact CG1-CD2 3.76Å; V78-D140 PolarHBondContact N-OD2 2.72Å; V78-D140 PolarHBondContact O-N 3.42Å; V78-L141 PolarHBondContact O-N 3.18Å
79	A	98.3	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	155.8	177.8	0	0	0	0	0	112.5	I98 V100 L101 Y102 L141	A79-I98 HydrophobicContact CB-CD1 3.73Å; A79-I98 HydrophobicContact CB-CG1 4.31Å; A79-I98 HydrophobicContact CB-CG2 3.73Å; A79-V100 PolarHBondContact N-O 3.17Å; A79-L101 HydrophobicContact CB-CD1 3.8Å; A79-Y102 PolarHBondContact O-N 2.91Å; A79-L141 CarbonylContact C-O 3.54Å; A79-L141 VanDerWaalsContact CA-O 3.27Å; A79-L141 WeakPolarHBondContact CA-O 3.29Å; A79-L141 HydrophobicContact CB-CB 3.98Å; A79-L141 HydrophobicContact CB-CD2 4.14Å; A79-L141 HydrophobicContact CB-CG 4.31Å
80	L	98.5	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.4	172.2	169.8	65.9	0	0	0	109.6	I82 Y102 L104 L132 F134 L139 L141 V142 L143	L80-I82 HydrophobicContact CD2-CD1 4.06Å; L80-I82 HydrophobicContact CD2-CG1 3.72Å; L80-I82 HydrophobicContact CG-CG1 3.83Å; L80-Y102 CarbonylContact C-O 3.56Å; L80-Y102 WeakPolarHBondContact CA-O 3.29Å; L80-L104 HydrophobicContact CD1-CB 3.79Å; L80-L104 HydrophobicContact CD1-CD1 4.37Å; L80-L132 HydrophobicContact CD2-CD1 4.41Å; L80-L132 HydrophobicContact CD2-CD2 4.19Å; L80-F134 HydrophobicContact CD1-CE2 3.63Å; L80-F134 HydrophobicContact CD1-CZ 3.85Å; L80-F134 HydrophobicContact CD2-CD2 3.93Å; L80-F134 HydrophobicContact CD2-CE2 3.63Å; L80-F134 HydrophobicContact CD2-CZ 4.38Å; L80-F134 HydrophobicContact CG-CE2 4.17Å; L80-L139 HydrophobicContact CB-CD1 3.79Å; L80-L139 HydrophobicContact CB-CD2 4.22Å; L80-L139 HydrophobicContact CD2-CD1 3.77Å; L80-L139 HydrophobicContact CG-CD1 4.45Å; L80-L141 PolarHBondContact N-O 3.4Å; L80-V142 HydrophobicContact CB-CG2 4.35Å; L80-V142 CarbonylContact O-C 3.58Å; L80-V142 WeakPolarHBondContact O-CA 3.2Å; L80-L143 PolarHBondContact O-N 3.2Å
81	D	98	Very high	95.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.7	168.3	-179.2	17.1	0	0	0	109.7	C84 L101 Y102 L104 L143	D81-C84 HydrophobicContact CB-CB 4.13Å; D81-C84 VanDerWaalsContact OD2-CA 3.32Å; D81-C84 WeakPolarHBondContact OD2-CA 3.42Å; D81-C84 WeakPolarHBondContact OD2-CB 3.37Å; D81-L101 HydrophobicContact CB-CD1 4.13Å; D81-Y102 PolarHBondContact N-O 2.81Å; D81-L104 PolarHBondContact O-N 3.05Å; D81-L143 HydrophobicContact CB-CB 4.46Å
82	I	97.7	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.4	-177.1	-60.3	175.7	0	0	0	110.2	L80 E129 L132 V142 L143 L148 I161	L80-I82 HydrophobicContact CD2-CD1 4.06Å; L80-I82 HydrophobicContact CD2-CG1 3.72Å; L80-I82 HydrophobicContact CG-CG1 3.83Å; I82-E129 HydrophobicContact CG2-CB 3.72Å; I82-E129 HydrophobicContact CG2-CG 3.8Å; I82-L132 HydrophobicContact CD1-CD1 4.02Å; I82-L132 HydrophobicContact CD1-CD2 3.84Å; I82-L132 HydrophobicContact CG1-CD2 4.2Å; I82-V142 HydrophobicContact CD1-CG1 3.42Å; I82-V142 VanDerWaalsContact CD1-CG1 3.42Å; I82-V142 HydrophobicContact CG1-CG1 3.95Å; I82-L143 PolarHBondContact N-O 2.8Å; I82-L148 HydrophobicContact CG2-CD2 4.36Å; I82-I161 HydrophobicContact CD1-CD1 3.75Å; I82-I161 HydrophobicContact CD1-CG1 3.91Å
83	G	95.7	Very high	95.6	Very high	8 Å²	8	32.1 Å²	32.1	8%	0.082	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	48.8	-172.9	0	0	0	0	0	110.9	G85 L104 S147	G83-G85 PolarHBondContact O-N 3.15Å; G83-L104 VanDerWaalsContact CA-O 3.23Å; G83-L104 WeakPolarHBondContact CA-O 3.5Å; G83-L104 PolarHBondContact N-O 2.97Å; G83-S147 WeakPolarHBondContact CA-OG 3.46Å
84	C	96.1	Very high	95.8	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.027	14%	0.137	C	C	.	.			trans	-62.3	-10.1	-171.1	64.6	0	0	0	0	114.5	D81 R86 G87 Q103 L104	D81-C84 HydrophobicContact CB-CB 4.13Å; D81-C84 VanDerWaalsContact OD2-CA 3.32Å; D81-C84 WeakPolarHBondContact OD2-CA 3.42Å; D81-C84 WeakPolarHBondContact OD2-CB 3.37Å; C84-R86 PolarHBondContact O-N 3.33Å; C84-G87 PolarHBondContact O-N 3.4Å; C84-Q103 HydrophobicContact CB-CB 3.95Å; C84-Q103 HydrophobicContact CB-CG 4.5Å; C84-L104 PolarHBondContact N-O 3.41Å
85	G	94.1	Very high	95.9	Very high	11 Å²	11	26.2 Å²	26.2	11%	0.113	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-142	-177.2	0	0	0	0	0	110.6	G83 G87 D105 V110	G83-G85 PolarHBondContact O-N 3.15Å; G85-G87 PolarHBondContact O-N 3.08Å; G85-G87 VanDerWaalsContact O-N 3.11Å; G85-D105 PolarHBondContact N-OD2 3.37Å; G85-V110 VanDerWaalsContact CA-CG1 3.41Å; G85-V110 WeakPolarHBondContact O-CG1 3.5Å
86	R	93.5	Very high	95.8	Very high	23 Å²	23	26.9 Å²	26.9	9%	0.087	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	21.9	177.8	-58.4	-176.8	-169.9	94.2	-4.3	112.2	S45 P51 D55 C84 H88 V110 Q113 I114	S45-R86 PolarHBondContact O-NH2 3.08Å; P51-R86 VanDerWaalsContact CB-NH2 3.31Å; D55-R86 IonicContact OD1-CZ 3.77Å; D55-R86 IonicContact OD1-NH1 2.77Å; D55-R86 PolarHBondContact OD1-NH1 3.22Å; D55-R86 IonicContact OD2-CZ 3.7Å; D55-R86 IonicContact OD2-NH1 3.75Å; D55-R86 PolarHBondContact OD2-NH1 3.11Å; C84-R86 PolarHBondContact O-N 3.33Å; R86-H88 PolarHBondContact N-CE1 3.14Å; R86-V110 HydrophobicContact CG-CG1 3.89Å; R86-Q113 HydrophobicContact CB-CB 4.4Å; R86-Q113 HydrophobicContact CG-CB 4.09Å; R86-I114 WeakPolarHBondContact O-CA 3.39Å
87	G	95.1	Very high	95.5	Very high	6 Å²	6	27.5 Å²	27.5	6%	0.062	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	32.7	-177.9	0	0	0	0	0	112.5	C84 G85 L89 S90	C84-G87 PolarHBondContact O-N 3.4Å; G85-G87 PolarHBondContact O-N 3.08Å; G85-G87 VanDerWaalsContact O-N 3.11Å; G87-L89 PolarHBondContact O-N 3.28Å; G87-S90 VanDerWaalsContact CA-OG 3.31Å; G87-S90 WeakPolarHBondContact CA-OG 3.43Å; G87-S90 PolarHBondContact O-N 3.23Å; G87-S90 PolarHBondContact O-OG 2.8Å
88	H	95	Very high	95.5	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.042	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.5	-178.4	-61	105.6	0	0	0	112.5	D55 R58 A62 R86 Q91 F92	D55-H88 IonicContact OD1-CE1 3.33Å; D55-H88 IonicContact OD1-NE2 2.73Å; D55-H88 PolarHBondContact OD1-NE2 3.34Å; D55-H88 IonicContact OD2-CD2 2.73Å; D55-H88 IonicContact OD2-CE1 3.8Å; D55-H88 IonicContact OD2-NE2 2.83Å; D55-H88 PolarHBondContact OD2-NE2 2.91Å; R58-H88 HydrophobicContact CB-CB 4.28Å; A62-H88 HydrophobicContact CB-CB 4.16Å; A62-H88 VanDerWaalsContact CB-O 3.26Å; A62-H88 WeakPolarHBondContact CB-O 3.38Å; R86-H88 PolarHBondContact N-CE1 3.14Å; H88-Q91 WeakPolarHBondContact O-CG 3.32Å; H88-Q91 PolarHBondContact O-NE2 2.72Å; H88-F92 VanDerWaalsContact O-CD2 3.29Å; H88-F92 WeakPolarHBondContact O-CD2 3.34Å; H88-F92 WeakPolarHBondContact O-CE2 3.45Å
89	L	95.7	Very high	95.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-41.7	177.7	-170.9	59.3	0	0	0	112.7	A62 L65 A66 G87 Q91 F92 I93 L143	A62-L89 HydrophobicContact CB-CB 4.39Å; A62-L89 HydrophobicContact CB-CD1 4.18Å; A62-L89 WeakPolarHBondContact O-CD1 3.27Å; L65-L89 HydrophobicContact CB-CD1 4.31Å; L65-L89 HydrophobicContact CD2-CD1 4.12Å; L65-L89 HydrophobicContact CD2-CD2 3.96Å; A66-L89 HydrophobicContact CB-CD1 4.35Å; G87-L89 PolarHBondContact O-N 3.28Å; L89-Q91 PolarHBondContact O-N 3.12Å; L89-F92 PolarHBondContact O-N 3.07Å; L89-I93 HydrophobicContact CD1-CD1 4.24Å; L89-I93 HydrophobicContact CG-CD1 4.1Å; L89-I93 HydrophobicContact CG-CG1 4.21Å; L89-I93 WeakPolarHBondContact O-CG1 3.13Å; L89-I93 PolarHBondContact O-N 3.43Å; L89-L143 HydrophobicContact CD2-CB 3.7Å; L89-L143 HydrophobicContact CD2-CD1 3.76Å; L89-L143 HydrophobicContact CD2-CD2 4.33Å; L89-L143 HydrophobicContact CD2-CG 4.12Å
90	S	95.6	Very high	95.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.014	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.1	-173.3	52.1	0	0	0	0	115.5	G87 Q103 S117	G87-S90 VanDerWaalsContact CA-OG 3.31Å; G87-S90 WeakPolarHBondContact CA-OG 3.43Å; G87-S90 PolarHBondContact O-N 3.23Å; G87-S90 PolarHBondContact O-OG 2.8Å; S90-Q103 VanDerWaalsContact CB-NE2 3.28Å; S90-Q103 PolarHBondContact OG-NE2 3.37Å; S90-S117 PolarHBondContact O-OG 2.82Å
91	Q	93.1	Very high	95.3	Very high	98 Å²	98	24.6 Å²	24.6	46%	0.458	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.7	176.4	68.5	-170.1	-31.4	0	0	113.7	H88 L89	H88-Q91 WeakPolarHBondContact O-CG 3.32Å; H88-Q91 PolarHBondContact O-NE2 2.72Å; L89-Q91 PolarHBondContact O-N 3.12Å
92	F	94.7	Very high	95.3	Very high	60 Å²	60	27.5 Å²	27.5	26%	0.263	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-5.4	179.5	-56.7	-69	0	0	0	112.9	E59 A62 D63 A66 H88 L89	E59-F92 WeakPolarHBondContact O-CE2 3.41Å; A62-F92 HydrophobicContact CB-CD2 3.93Å; A62-F92 HydrophobicContact CB-CE2 3.96Å; D63-F92 HydrophobicContact CB-CD1 4.16Å; D63-F92 HydrophobicContact CB-CD2 4.22Å; D63-F92 HydrophobicContact CB-CE1 3.95Å; D63-F92 HydrophobicContact CB-CE2 4Å; D63-F92 HydrophobicContact CB-CG 4.3Å; D63-F92 HydrophobicContact CB-CZ 3.87Å; D63-F92 WeakPolarHBondContact OD1-CD1 3.47Å; A66-F92 HydrophobicContact CB-CB 3.51Å; H88-F92 VanDerWaalsContact O-CD2 3.29Å; H88-F92 WeakPolarHBondContact O-CD2 3.34Å; H88-F92 WeakPolarHBondContact O-CE2 3.45Å; L89-F92 PolarHBondContact O-N 3.07Å
93	I	95.3	Very high	95.3	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	15%	0.154	C	C	.	.			trans	-83.1	128.5	178.2	-60.4	-57.2	0	0	0	110	L69 L89 I98 L101 V120 L143	L69-I93 HydrophobicContact CD2-CD1 3.47Å; L69-I93 VanDerWaalsContact CD2-CD1 3.47Å; L89-I93 HydrophobicContact CD1-CD1 4.24Å; L89-I93 HydrophobicContact CG-CD1 4.1Å; L89-I93 HydrophobicContact CG-CG1 4.21Å; L89-I93 WeakPolarHBondContact O-CG1 3.13Å; L89-I93 PolarHBondContact O-N 3.43Å; I93-I98 HydrophobicContact CD1-CD1 4.14Å; I93-I98 HydrophobicContact CG1-CD1 4.45Å; I93-I98 HydrophobicContact CG2-CB 3.79Å; I93-I98 HydrophobicContact CG2-CD1 3.61Å; I93-I98 HydrophobicContact CG2-CG1 3.88Å; I93-L101 HydrophobicContact CG1-CD2 4.37Å; I93-V120 HydrophobicContact CG2-CG2 3.91Å; I93-L143 HydrophobicContact CD1-CD1 4.25Å
94	T	93.9	Very high	95.4	Very high	33 Å²	33	27.1 Å²	27.1	20%	0.202	15%	0.15	C	C	.	.			trans	-102.1	162.4	177.4	71.9	0	0	0	0	112.2	D96 N97 I98 E119 V120	T94-D96 PolarHBondContact O-N 2.88Å; T94-D96 PolarHBondContact OG1-N 2.88Å; T94-N97 PolarHBondContact O-N 3.1Å; T94-N97 PolarHBondContact OG1-OD1 3.48Å; T94-I98 PolarHBondContact O-N 3.35Å; T94-E119 WeakPolarHBondContact CA-OE2 3.4Å; T94-E119 WeakPolarHBondContact CB-OE2 3.48Å; T94-V120 VanDerWaalsContact C-CG2 3.43Å; T94-V120 WeakPolarHBondContact O-CG2 3.33Å
95	S	93.9	Very high	95.4	Very high	48 Å²	48	27 Å²	27	34%	0.336	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10	175.1	74.1	0	0	0	0	114.1	K75 E119	K75-S95 WeakPolarHBondContact CE-O 3.41Å; K75-S95 PolarHBondContact NZ-O 3.41Å; S95-E119 PolarHBondContact N-OE2 2.86Å
96	D	93.4	Very high	95.4	Very high	124 Å²	124	27.2 Å²	27.2	66%	0.663	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-36.1	176.1	-69.5	-25.7	0	0	0	111.2	K75 T94	K75-D96 WeakPolarHBondContact CB-O 3.35Å; K75-D96 WeakPolarHBondContact CG-O 3.32Å; T94-D96 PolarHBondContact O-N 2.88Å; T94-D96 PolarHBondContact OG1-N 2.88Å
97	N	92.8	Very high	95.5	Very high	15 Å²	15	26.4 Å²	26.4	8%	0.08	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-34.4	-178.4	-57.9	83.7	0	0	0	112.8	L69 N70 K75 F76 T94	L69-N97 HydrophobicContact CD2-CB 4.09Å; L69-N97 HydrophobicContact CG-CB 4.13Å; L69-N97 PolarHBondContact O-ND2 2.8Å; N70-N97 PolarHBondContact OD1-OD1 3.36Å; K75-N97 WeakPolarHBondContact CA-O 3.5Å; F76-N97 PolarHBondContact N-O 2.85Å; T94-N97 PolarHBondContact O-N 3.1Å; T94-N97 PolarHBondContact OG1-OD1 3.48Å
98	I	96.9	Very high	95.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133	-171.9	-59.7	-174	0	0	0	112.1	L69 F76 A79 I93 T94 V100 L101 V120 L141 L143	L69-I98 HydrophobicContact CD2-CD1 3.82Å; L69-I98 HydrophobicContact CD2-CG1 4.21Å; F76-I98 CarbonylContact O-C 3.57Å; F76-I98 WeakPolarHBondContact O-CA 3.41Å; A79-I98 HydrophobicContact CB-CD1 3.73Å; A79-I98 HydrophobicContact CB-CG1 4.31Å; A79-I98 HydrophobicContact CB-CG2 3.73Å; I93-I98 HydrophobicContact CD1-CD1 4.14Å; I93-I98 HydrophobicContact CG1-CD1 4.45Å; I93-I98 HydrophobicContact CG2-CB 3.79Å; I93-I98 HydrophobicContact CG2-CD1 3.61Å; I93-I98 HydrophobicContact CG2-CG1 3.88Å; T94-I98 PolarHBondContact O-N 3.35Å; I98-V100 WeakPolarHBondContact CG2-O 3.38Å; I98-L101 HydrophobicContact CD1-CD1 4.5Å; I98-L101 HydrophobicContact CG2-CB 4.27Å; I98-V120 HydrophobicContact CG2-CG1 4.08Å; I98-L141 HydrophobicContact CD1-CD2 3.69Å; I98-L141 HydrophobicContact CG1-CD2 4.2Å; I98-L143 HydrophobicContact CD1-CD1 3.84Å
99	G	96.3	Very high	95.6	Very high	26 Å²	26	30.8 Å²	30.8	27%	0.268	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-57.1	173	0	0	0	0	0	113.4	F76 D77	F76-G99 PolarHBondContact O-N 3.47Å; D77-G99 CarbonylContact O-C 3.57Å; D77-G99 WeakPolarHBondContact O-CA 3.47Å
100	V	97.4	Very high	95.6	Very high	39 Å²	39	30.9 Å²	30.9	24%	0.236	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.2	179.1	177.6	0	0	0	0	109.7	D77 A79 I98 Y102 C121 Y123	D77-V100 PolarHBondContact O-N 2.93Å; A79-V100 PolarHBondContact N-O 3.17Å; I98-V100 WeakPolarHBondContact CG2-O 3.38Å; V100-Y102 HydrophobicContact CG1-CE2 4.16Å; V100-C121 HydrophobicContact CG2-CB 4.48Å; V100-Y123 HydrophobicContact CG1-CD2 3.74Å; V100-Y123 HydrophobicContact CG1-CE2 3.72Å
101	L	97.9	Very high	95.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.9	179.4	-178.5	65.4	0	0	0	111.5	A79 D81 I93 I98 Q103 V120 C121 T122 Y123 L143	A79-L101 HydrophobicContact CB-CD1 3.8Å; D81-L101 HydrophobicContact CB-CD1 4.13Å; I93-L101 HydrophobicContact CG1-CD2 4.37Å; I98-L101 HydrophobicContact CD1-CD1 4.5Å; I98-L101 HydrophobicContact CG2-CB 4.27Å; L101-Q103 HydrophobicContact CD2-CG 4.24Å; L101-Q103 HydrophobicContact CG-CG 4.16Å; L101-V120 HydrophobicContact CB-CG1 4.01Å; L101-C121 PolarHBondContact N-O 3.39Å; L101-T122 HydrophobicContact CB-CG2 4.26Å; L101-T122 HydrophobicContact CD2-CG2 4.35Å; L101-T122 CarbonylContact O-C 3.58Å; L101-T122 VanDerWaalsContact O-CA 3.23Å; L101-T122 WeakPolarHBondContact O-CA 3.5Å; L101-Y123 PolarHBondContact O-N 2.87Å; L101-L143 HydrophobicContact CD1-CD1 4.48Å
102	Y	97.8	Very high	95.7	Very high	62 Å²	62	33.7 Å²	33.7	24%	0.243	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.5	167.4	-68.3	-82	0	0	0	109.8	V78 A79 L80 D81 V100 Y123 I125 F134	V78-Y102 HydrophobicContact CG1-CD2 3.91Å; V78-Y102 HydrophobicContact CG1-CE2 3.61Å; A79-Y102 PolarHBondContact O-N 2.91Å; L80-Y102 CarbonylContact C-O 3.56Å; L80-Y102 WeakPolarHBondContact CA-O 3.29Å; D81-Y102 PolarHBondContact N-O 2.81Å; V100-Y102 HydrophobicContact CG1-CE2 4.16Å; Y102-Y123 CarbonylContact C-O 3.56Å; Y102-Y123 WeakPolarHBondContact CA-O 3.18Å; Y102-Y123 HydrophobicContact CD1-CD2 4.46Å; Y102-Y123 HydrophobicContact CD1-CG 4.41Å; Y102-Y123 HydrophobicContact CE1-CD2 4.08Å; Y102-Y123 HydrophobicContact CE1-CG 4.14Å; Y102-I125 HydrophobicContact CD1-CD1 3.75Å; Y102-I125 HydrophobicContact CD1-CG1 4.32Å; Y102-I125 HydrophobicContact CG-CD1 4.24Å; Y102-F134 HydrophobicContact CD1-CZ 4.39Å; Y102-F134 AromaticContact CD2-CE1 3.97Å; Y102-F134 HydrophobicContact CD2-CE1 3.97Å; Y102-F134 HydrophobicContact CD2-CZ 4.22Å; Y102-F134 HydrophobicContact CE2-CE1 4.32Å; Y102-F134 HydrophobicContact CG-CE1 4.07Å; Y102-F134 AromaticContact CG-CZ 3.91Å; Y102-F134 HydrophobicContact CG-CZ 3.91Å
103	Q	97.8	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	110.7	-178.5	-62.6	-172.3	-96.9	0	0	108.9	C84 S90 L101 I114 T122 Y123 N124 I125	C84-Q103 HydrophobicContact CB-CB 3.95Å; C84-Q103 HydrophobicContact CB-CG 4.5Å; S90-Q103 VanDerWaalsContact CB-NE2 3.28Å; S90-Q103 PolarHBondContact OG-NE2 3.37Å; L101-Q103 HydrophobicContact CD2-CG 4.24Å; L101-Q103 HydrophobicContact CG-CG 4.16Å; Q103-I114 HydrophobicContact CB-CD1 4.31Å; Q103-T122 VanDerWaalsContact OE1-CB 3.22Å; Q103-T122 PolarHBondContact OE1-OG1 3.34Å; Q103-Y123 PolarHBondContact N-O 3.34Å; Q103-N124 CarbonylContact O-C 3.11Å; Q103-N124 WeakPolarHBondContact O-CA 3.16Å; Q103-I125 PolarHBondContact O-N 3.29Å
104	L	97.4	Very high	95.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.6	-174.4	-176.6	154.6	0	0	0	110.6	L80 D81 G83 C84 I125 C127 E129 L132 P133	L80-L104 HydrophobicContact CD1-CB 3.79Å; L80-L104 HydrophobicContact CD1-CD1 4.37Å; D81-L104 PolarHBondContact O-N 3.05Å; G83-L104 VanDerWaalsContact CA-O 3.23Å; G83-L104 WeakPolarHBondContact CA-O 3.5Å; G83-L104 PolarHBondContact N-O 2.97Å; C84-L104 PolarHBondContact N-O 3.41Å; L104-I125 WeakPolarHBondContact CA-O 3.28Å; L104-I125 HydrophobicContact CB-CB 4.46Å; L104-I125 HydrophobicContact CD1-CG2 4.38Å; L104-C127 HydrophobicContact CD1-CB 4.02Å; L104-C127 WeakPolarHBondContact CD2-O 3.43Å; L104-C127 HydrophobicContact CG-CB 4.17Å; L104-E129 HydrophobicContact CD2-CB 4.43Å; L104-E129 HydrophobicContact CD2-CG 4Å; L104-L132 HydrophobicContact CD1-CD2 4.16Å; L104-P133 HydrophobicContact CD1-CG 4.39Å
105	D	96.4	Very high	95.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.5	170	-161.6	-70.6	0	0	0	110.2	R42 G85 S107 L111 I125 N126 C127	R42-D105 WeakPolarHBondContact CD-OD1 3.26Å; R42-D105 IonicContact NE-OD1 2.72Å; R42-D105 IonicContact NE-OD2 2.63Å; R42-D105 IonicContact NH1-OD1 3.83Å; G85-D105 PolarHBondContact N-OD2 3.37Å; D105-S107 VanDerWaalsContact C-N 3.31Å; D105-S107 WeakPolarHBondContact OD1-CB 3.32Å; D105-S107 PolarHBondContact OD1-N 2.93Å; D105-L111 HydrophobicContact CB-CD2 3.71Å; D105-L111 HydrophobicContact CB-CG 4.01Å; D105-I125 PolarHBondContact N-O 3.42Å; D105-N126 WeakPolarHBondContact O-CA 3.33Å; D105-C127 CarbonylContact C-O 3.56Å; D105-C127 VanDerWaalsContact C-O 3.27Å; D105-C127 PolarHBondContact O-N 3.25Å
106	S	94.4	Very high	95.1	Very high	16 Å²	16	43.5 Å²	43.5	11%	0.112	23%	0.23	C	C	.	.	S	Bend	trans	-72.2	-26.9	177.1	72.7	0	0	0	0	112.5	R42 N126 C127	R42-S106 PolarHBondContact NH1-OG 3.02Å; S106-N126 PolarHBondContact O-ND2 3.36Å; S106-C127 WeakPolarHBondContact CA-O 3.48Å; S106-C127 PolarHBondContact N-O 2.79Å
107	S	95.2	Very high	94.8	Very high	7 Å²	7	38.8 Å²	38.8	5%	0.049	21%	0.207	C	C	.	.			trans	-91.6	113.1	-173.3	178.6	0	0	0	0	111.8	D105 E109 V110 L111	D105-S107 VanDerWaalsContact C-N 3.31Å; D105-S107 WeakPolarHBondContact OD1-CB 3.32Å; D105-S107 PolarHBondContact OD1-N 2.93Å; S107-E109 PolarHBondContact O-N 3.5Å; S107-V110 PolarHBondContact O-N 3.4Å; S107-V110 PolarHBondContact OG-N 3.3Å; S107-L111 WeakPolarHBondContact O-CG 3.25Å; S107-L111 PolarHBondContact O-N 3.11Å
108	S	95.6	Very high	94.5	Very high	55 Å²	55	43.4 Å²	43.4	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-31.8	173.8	54.3	0	0	0	0	112.8	K112 N126	S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.48Å; S108-K112 PolarHBondContact O-N 3.43Å; S108-N126 WeakPolarHBondContact CA-ND2 3.28Å; S108-N126 PolarHBondContact N-ND2 3.2Å
109	E	95.8	Very high	94.2	Very high	51 Å²	51	48.8 Å²	48.8	24%	0.238	27%	0.272	C	S	.	.	H	α-helix	trans	-70.6	-36	-177.3	-56.2	-42.3	122	0	0	111.8	A46 L47 S107 K112	A46-E109 HydrophobicContact CB-CB 3.84Å; L47-E109 HydrophobicContact CD1-CG 4.49Å; L47-E109 HydrophobicContact CD2-CG 4.36Å; L47-E109 HydrophobicContact CG-CG 4.46Å; S107-E109 PolarHBondContact O-N 3.5Å; E109-K112 IonicContact OE1-NZ 3.26Å; E109-K112 PolarHBondContact OE1-NZ 3.32Å; E109-K112 IonicContact OE2-NZ 3.74Å; E109-K112 PolarHBondContact OE2-NZ 2.89Å
110	V	95.4	Very high	94.1	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-72.8	-43.3	176.5	167.6	0	0	0	0	110.8	R42 A46 G85 R86 S107 K112 Q113	R42-V110 HydrophobicContact CG-CG2 3.91Å; R42-V110 VanDerWaalsContact O-CG2 3.29Å; R42-V110 WeakPolarHBondContact O-CG2 3.39Å; A46-V110 HydrophobicContact CB-CB 4.5Å; A46-V110 HydrophobicContact CB-CG2 3.68Å; G85-V110 VanDerWaalsContact CA-CG1 3.41Å; G85-V110 WeakPolarHBondContact O-CG1 3.5Å; R86-V110 HydrophobicContact CG-CG1 3.89Å; S107-V110 PolarHBondContact O-N 3.4Å; S107-V110 PolarHBondContact OG-N 3.3Å; V110-K112 VanDerWaalsContact C-N 3.26Å; V110-K112 PolarHBondContact O-N 3.1Å; V110-Q113 PolarHBondContact O-N 2.8Å
111	L	96.2	Very high	93.9	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-31.9	176.7	-69.6	177.9	0	0	0	113.6	D105 S107 Q113 I114 N124 N126	D105-L111 HydrophobicContact CB-CD2 3.71Å; D105-L111 HydrophobicContact CB-CG 4.01Å; S107-L111 WeakPolarHBondContact O-CG 3.25Å; S107-L111 PolarHBondContact O-N 3.11Å; L111-Q113 PolarHBondContact O-N 3.28Å; L111-I114 HydrophobicContact CB-CD1 4.5Å; L111-I114 HydrophobicContact CD2-CD1 3.54Å; L111-I114 PolarHBondContact O-N 3.44Å; L111-N124 HydrophobicContact CD2-CB 4.36Å; L111-N126 HydrophobicContact CD1-CB 3.75Å
112	K	95.4	Very high	93.9	Very high	143 Å²	143	50.3 Å²	50.3	62%	0.622	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.9	176.4	-73.8	167.8	-165.8	166.5	0	113.3	S108 E109 V110	S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.48Å; S108-K112 PolarHBondContact O-N 3.43Å; E109-K112 IonicContact OE1-NZ 3.26Å; E109-K112 PolarHBondContact OE1-NZ 3.32Å; E109-K112 IonicContact OE2-NZ 3.74Å; E109-K112 PolarHBondContact OE2-NZ 2.89Å; V110-K112 VanDerWaalsContact C-N 3.26Å; V110-K112 PolarHBondContact O-N 3.1Å
113	Q	94.7	Very high	93.8	Very high	69 Å²	69	52 Å²	52	32%	0.322	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.7	-178.2	-66	-179.5	-5.1	0	0	112.7	A46 R86 V110 L111 K115	A46-Q113 PolarHBondContact O-NE2 3.42Å; R86-Q113 HydrophobicContact CB-CB 4.4Å; R86-Q113 HydrophobicContact CG-CB 4.09Å; V110-Q113 PolarHBondContact O-N 2.8Å; L111-Q113 PolarHBondContact O-N 3.28Å; Q113-K115 PolarHBondContact O-N 2.92Å
114	I	94.9	Very high	93.7	Very high	18 Å²	18	55.7 Å²	55.7	9%	0.092	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-62.4	121.6	174.7	-63.1	178.7	0	0	0	109.4	R86 Q103 L111	R86-I114 WeakPolarHBondContact O-CA 3.39Å; Q103-I114 HydrophobicContact CB-CD1 4.31Å; L111-I114 HydrophobicContact CB-CD1 4.5Å; L111-I114 HydrophobicContact CD2-CD1 3.54Å; L111-I114 PolarHBondContact O-N 3.44Å
115	K	89.6	Confident	93.7	Very high	150 Å²	150	57.6 Å²	57.6	65%	0.652	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-79.2	132.3	168.2	-63.8	176.1	-173.1	166.2	0	108.4	Q113 S117	Q113-K115 PolarHBondContact O-N 2.92Å; K115-S117 PolarHBondContact O-N 3.38Å
116	P	84.8	Confident	93.6	Very high	115 Å²	115	62 Å²	62	75%	0.747	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-56	136	173.7	-24.2	33.6	0	0	0	111.2
117	S	87.8	Confident	93.6	Very high	26 Å²	26	62.5 Å²	62.5	18%	0.182	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-65.9	141.7	170.8	177	0	0	0	0	109.7	S90 K115 E119 V120	S90-S117 PolarHBondContact O-OG 2.82Å; K115-S117 PolarHBondContact O-N 3.38Å; S117-E119 PolarHBondContact OG-N 3.2Å; S117-V120 PolarHBondContact OG-N 3.11Å
118	A	85.8	Confident	93.5	Very high	111 Å²	111	65.5 Å²	65.5	92%	0.917	35%	0.354	S	S	*	.	S	Bend	trans	-77.1	-25.9	177.2	0	0	0	0	0	112.4
119	E	91.1	Very high	93.1	Very high	114 Å²	114	63.3 Å²	63.3	53%	0.533	34%	0.338	S	S	.	.	S	Bend	trans	-107	-33.2	-170.8	-63.7	-167	-167.1	0	0	113.6	T94 S95 S117	T94-E119 WeakPolarHBondContact CA-OE2 3.4Å; T94-E119 WeakPolarHBondContact CB-OE2 3.48Å; S95-E119 PolarHBondContact N-OE2 2.86Å; S117-E119 PolarHBondContact OG-N 3.2Å
120	V	93.9	Very high	92.7	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.042	34%	0.336	C	S	.	.	S	Bend	trans	-116.7	138.4	-172.1	-178.9	0	0	0	0	111.3	I93 T94 I98 L101 S117 T122	I93-V120 HydrophobicContact CG2-CG2 3.91Å; T94-V120 VanDerWaalsContact C-CG2 3.43Å; T94-V120 WeakPolarHBondContact O-CG2 3.33Å; I98-V120 HydrophobicContact CG2-CG1 4.08Å; L101-V120 HydrophobicContact CB-CG1 4.01Å; S117-V120 PolarHBondContact OG-N 3.11Å; V120-T122 PolarHBondContact O-N 2.91Å
121	C	95	Very high	92.5	Very high	59 Å²	59	64.1 Å²	64.1	40%	0.399	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	115.3	174.2	-173.1	0	0	0	0	109.9	V100 L101 Y123	V100-C121 HydrophobicContact CG2-CB 4.48Å; L101-C121 PolarHBondContact N-O 3.39Å; C121-Y123 WeakPolarHBondContact SG-CE2 3.5Å; C121-Y123 PolarHBondContact SG-OH 3.39Å
122	T	96.2	Very high	92.4	Very high	32 Å²	32	63.7 Å²	63.7	20%	0.196	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147.8	-179.1	65.2	0	0	0	0	113.6	L101 Q103 V120	L101-T122 HydrophobicContact CB-CG2 4.26Å; L101-T122 HydrophobicContact CD2-CG2 4.35Å; L101-T122 CarbonylContact O-C 3.58Å; L101-T122 VanDerWaalsContact O-CA 3.23Å; L101-T122 WeakPolarHBondContact O-CA 3.5Å; Q103-T122 VanDerWaalsContact OE1-CB 3.22Å; Q103-T122 PolarHBondContact OE1-OG1 3.34Å; V120-T122 PolarHBondContact O-N 2.91Å
123	Y	96.3	Very high	92.4	Very high	97 Å²	97	59.5 Å²	59.5	38%	0.38	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	124.6	174.4	-64.1	-86	0	0	0	111.5	V100 L101 Y102 Q103 C121	V100-Y123 HydrophobicContact CG1-CD2 3.74Å; V100-Y123 HydrophobicContact CG1-CE2 3.72Å; L101-Y123 PolarHBondContact O-N 2.87Å; Y102-Y123 CarbonylContact C-O 3.56Å; Y102-Y123 WeakPolarHBondContact CA-O 3.18Å; Y102-Y123 HydrophobicContact CD1-CD2 4.46Å; Y102-Y123 HydrophobicContact CD1-CG 4.41Å; Y102-Y123 HydrophobicContact CE1-CD2 4.08Å; Y102-Y123 HydrophobicContact CE1-CG 4.14Å; Q103-Y123 PolarHBondContact N-O 3.34Å; C121-Y123 WeakPolarHBondContact SG-CE2 3.5Å; C121-Y123 PolarHBondContact SG-OH 3.39Å
124	N	96.4	Very high	92.4	Very high	79 Å²	79	57.9 Å²	57.9	42%	0.422	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.2	-178.5	-61.1	-10.3	0	0	0	111.4	Q103 L111	Q103-N124 CarbonylContact O-C 3.11Å; Q103-N124 WeakPolarHBondContact O-CA 3.16Å; L111-N124 HydrophobicContact CD2-CB 4.36Å
125	I	96.5	Very high	92.5	Very high	39 Å²	39	61.4 Å²	61.4	20%	0.2	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.8	177.4	-57	179	0	0	0	108.3	Y102 Q103 L104 D105 C127 P133 F134	Y102-I125 HydrophobicContact CD1-CD1 3.75Å; Y102-I125 HydrophobicContact CD1-CG1 4.32Å; Y102-I125 HydrophobicContact CG-CD1 4.24Å; Q103-I125 PolarHBondContact O-N 3.29Å; L104-I125 WeakPolarHBondContact CA-O 3.28Å; L104-I125 HydrophobicContact CB-CB 4.46Å; L104-I125 HydrophobicContact CD1-CG2 4.38Å; D105-I125 PolarHBondContact N-O 3.42Å; I125-C127 HydrophobicContact CG2-CB 3.87Å; I125-C127 PolarHBondContact O-N 3.21Å; I125-P133 HydrophobicContact CG2-CG 4.04Å; I125-F134 HydrophobicContact CD1-CE1 4.47Å; I125-F134 HydrophobicContact CD1-CE2 4.05Å; I125-F134 HydrophobicContact CD1-CZ 3.56Å
126	N	95.6	Very high	92.8	Very high	94 Å²	94	57.9 Å²	57.9	50%	0.503	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.6	168.2	-173.5	-82.4	0	0	0	109.3	D105 S106 S108 L111	D105-N126 WeakPolarHBondContact O-CA 3.33Å; S106-N126 PolarHBondContact O-ND2 3.36Å; S108-N126 WeakPolarHBondContact CA-ND2 3.28Å; S108-N126 PolarHBondContact N-ND2 3.2Å; L111-N126 HydrophobicContact CD1-CB 3.75Å
127	C	93.6	Very high	93.5	Very high	27 Å²	27	56.2 Å²	56.2	18%	0.182	31%	0.309	C	S	.	.			trans	-155.6	150.1	179	-172.8	0	0	0	0	109.4	L104 D105 S106 I125 C131	L104-C127 HydrophobicContact CD1-CB 4.02Å; L104-C127 WeakPolarHBondContact CD2-O 3.43Å; L104-C127 HydrophobicContact CG-CB 4.17Å; D105-C127 CarbonylContact C-O 3.56Å; D105-C127 VanDerWaalsContact C-O 3.27Å; D105-C127 PolarHBondContact O-N 3.25Å; S106-C127 WeakPolarHBondContact CA-O 3.48Å; S106-C127 PolarHBondContact N-O 2.79Å; I125-C127 HydrophobicContact CG2-CB 3.87Å; I125-C127 PolarHBondContact O-N 3.21Å; C127-C131 PolarHBondContact SG-O 2.82Å
128	H	92.8	Very high	93.9	Very high	69 Å²	69	56.4 Å²	56.4	32%	0.319	31%	0.309	S	S	.	.			trans	-68.8	140.3	171.2	-58.3	-78.1	0	0	0	110.9	E39 Y130 C131	E39-H128 IonicContact OE1-CE1 2.81Å; E39-H128 PolarHBondContact OE1-CE1 2.97Å; E39-H128 IonicContact OE1-ND1 2.97Å; E39-H128 PolarHBondContact OE1-ND1 2.91Å; E39-H128 VanDerWaalsContact OE1-ND1 3.08Å; H128-Y130 HydrophobicContact CB-CD1 3.85Å; H128-Y130 HydrophobicContact CB-CD2 4.4Å; H128-Y130 HydrophobicContact CB-CE1 3.36Å; H128-Y130 HydrophobicContact CB-CE2 3.96Å; H128-Y130 HydrophobicContact CB-CG 4.34Å; H128-Y130 PolarHBondContact CD2-OH 2.96Å; H128-Y130 AromaticContact CG-CE1 3.74Å; H128-Y130 AromaticContact CG-CZ 3.56Å; H128-Y130 VanDerWaalsContact CG-OH 3.26Å; H128-Y130 AromaticContact ND1-CE1 3.98Å; H128-Y130 PolarHBondContact O-N 2.99Å; H128-C131 PolarHBondContact O-N 3.21Å; H128-C131 VanDerWaalsContact O-N 3.1Å
129	E	87.6	Confident	94.6	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.047	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.4	-174.3	-59	94.7	140	0	0	112.6	R42 I82 L104 C131 I151 L157	R42-E129 IonicContact CZ-OE1 3.8Å; R42-E129 IonicContact NH1-OE1 3.08Å; R42-E129 PolarHBondContact NH1-OE1 2.91Å; R42-E129 IonicContact NH1-OE2 3.66Å; R42-E129 IonicContact NH2-OE1 2.87Å; R42-E129 PolarHBondContact NH2-OE1 3.08Å; I82-E129 HydrophobicContact CG2-CB 3.72Å; I82-E129 HydrophobicContact CG2-CG 3.8Å; L104-E129 HydrophobicContact CD2-CB 4.43Å; L104-E129 HydrophobicContact CD2-CG 4Å; E129-C131 PolarHBondContact O-N 3.29Å; E129-I151 HydrophobicContact CB-CD1 3.83Å; E129-L157 WeakPolarHBondContact O-CD1 3.48Å
130	Y	88.1	Confident	94.9	Very high	48 Å²	48	46.7 Å²	46.7	19%	0.188	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	1.9	179	57.6	-98.9	0	0	0	114.2	Y22 K35 H128	Y22-Y130 HydrophobicContact CE1-CD2 4.32Å; K35-Y130 HydrophobicContact CD-CD1 4.49Å; K35-Y130 HydrophobicContact CD-CE1 3.93Å; H128-Y130 HydrophobicContact CB-CD1 3.85Å; H128-Y130 HydrophobicContact CB-CD2 4.4Å; H128-Y130 HydrophobicContact CB-CE1 3.36Å; H128-Y130 HydrophobicContact CB-CE2 3.96Å; H128-Y130 HydrophobicContact CB-CG 4.34Å; H128-Y130 PolarHBondContact CD2-OH 2.96Å; H128-Y130 AromaticContact CG-CE1 3.74Å; H128-Y130 AromaticContact CG-CZ 3.56Å; H128-Y130 VanDerWaalsContact CG-OH 3.26Å; H128-Y130 AromaticContact ND1-CE1 3.98Å; H128-Y130 PolarHBondContact O-N 2.99Å
131	C	90	Very high	95.1	Very high	23 Å²	23	46.3 Å²	46.3	16%	0.155	24%	0.243	C	C	.	.	S	Bend	trans	-139.6	78.1	-179.9	-176.7	0	0	0	0	111	C127 H128 E129 P133	C127-C131 PolarHBondContact SG-O 2.82Å; H128-C131 PolarHBondContact O-N 3.21Å; H128-C131 VanDerWaalsContact O-N 3.1Å; E129-C131 PolarHBondContact O-N 3.29Å; C131-P133 WeakPolarHBondContact O-CD 3.47Å
132	L	94.4	Very high	95.3	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	22%	0.224	C	C	.	.			trans	-65.4	124.3	-177.5	-57	-175.5	0	0	0	112.3	L80 I82 L104 F134 L157 Q160 I161	L80-L132 HydrophobicContact CD2-CD1 4.41Å; L80-L132 HydrophobicContact CD2-CD2 4.19Å; I82-L132 HydrophobicContact CD1-CD1 4.02Å; I82-L132 HydrophobicContact CD1-CD2 3.84Å; I82-L132 HydrophobicContact CG1-CD2 4.2Å; L104-L132 HydrophobicContact CD1-CD2 4.16Å; L132-F134 HydrophobicContact CB-CD2 4.39Å; L132-F134 PolarHBondContact O-N 2.89Å; L132-L157 HydrophobicContact CD1-CD1 4.1Å; L132-L157 HydrophobicContact CD2-CD1 4.31Å; L132-L157 HydrophobicContact CG-CD1 4.03Å; L132-Q160 HydrophobicContact CB-CG 4.08Å; L132-Q160 HydrophobicContact CD1-CG 4.2Å; L132-Q160 HydrophobicContact CG-CG 4.22Å; L132-I161 HydrophobicContact CD1-CG1 3.63Å
133	P	94.5	Very high	95.4	Very high	54 Å²	54	42 Å²	42	35%	0.351	22%	0.215	S	C	.	.			trans	-84.9	34.6	-177.1	35.5	-36.5	0	0	0	113	L104 I125 C131	L104-P133 HydrophobicContact CD1-CG 4.39Å; I125-P133 HydrophobicContact CG2-CG 4.04Å; C131-P133 WeakPolarHBondContact O-CD 3.47Å
134	F	95.8	Very high	95.5	Very high	35 Å²	35	37.4 Å²	37.4	15%	0.154	20%	0.197	C	C	.	.			trans	-113	146.8	-175.2	-67.2	-87.6	0	0	0	111.6	L80 Y102 I125 L132 L139 C164	L80-F134 HydrophobicContact CD1-CE2 3.63Å; L80-F134 HydrophobicContact CD1-CZ 3.85Å; L80-F134 HydrophobicContact CD2-CD2 3.93Å; L80-F134 HydrophobicContact CD2-CE2 3.63Å; L80-F134 HydrophobicContact CD2-CZ 4.38Å; L80-F134 HydrophobicContact CG-CE2 4.17Å; Y102-F134 HydrophobicContact CD1-CZ 4.39Å; Y102-F134 AromaticContact CD2-CE1 3.97Å; Y102-F134 HydrophobicContact CD2-CE1 3.97Å; Y102-F134 HydrophobicContact CD2-CZ 4.22Å; Y102-F134 HydrophobicContact CE2-CE1 4.32Å; Y102-F134 HydrophobicContact CG-CE1 4.07Å; Y102-F134 AromaticContact CG-CZ 3.91Å; Y102-F134 HydrophobicContact CG-CZ 3.91Å; I125-F134 HydrophobicContact CD1-CE1 4.47Å; I125-F134 HydrophobicContact CD1-CE2 4.05Å; I125-F134 HydrophobicContact CD1-CZ 3.56Å; L132-F134 HydrophobicContact CB-CD2 4.39Å; L132-F134 PolarHBondContact O-N 2.89Å; F134-L139 HydrophobicContact CB-CD1 4.33Å; F134-L139 HydrophobicContact CD1-CD1 4.26Å; F134-L139 HydrophobicContact CD1-CD2 3.81Å; F134-L139 HydrophobicContact CD1-CG 4.19Å; F134-L139 HydrophobicContact CD2-CD1 4.25Å; F134-L139 HydrophobicContact CE1-CD2 3.85Å; F134-L139 HydrophobicContact CG-CD1 4.02Å; F134-L139 HydrophobicContact CG-CD2 4.41Å; F134-L139 HydrophobicContact CG-CG 4.37Å; F134-L139 HydrophobicContact CZ-CD2 4.49Å; F134-C164 HydrophobicContact CB-CB 4.22Å
135	R	95.8	Very high	95.5	Very high	93 Å²	93	34.3 Å²	34.3	35%	0.351	18%	0.181	S	C	.	.			trans	-76.7	161.1	175.3	-64.7	-174.8	-65.2	147.6	13.9	110	Y15 I17 T138	Y15-R135 PolarHBondContact O-NE 3.48Å; I17-R135 HydrophobicContact CD1-CG 3.68Å; I17-R135 HydrophobicContact CG1-CG 3.92Å; R135-T138 HydrophobicContact CB-CG2 3.81Å; R135-T138 PolarHBondContact O-OG1 3.3Å
136	P	97.7	Very high	95.6	Very high	76 Å²	76	33 Å²	33	49%	0.494	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	144.1	172.2	-23.2	33.5	0	0	0	111.8	T138 T163	P136-T138 PolarHBondContact O-N 2.79Å; P136-T163 WeakPolarHBondContact CA-O 3.44Å; P136-T163 HydrophobicContact CB-CG2 3.92Å; P136-T163 HydrophobicContact CG-CG2 3.91Å
137	N	97.7	Very high	95.6	Very high	80 Å²	80	28.6 Å²	28.6	43%	0.428	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	46.4	175.5	-49.9	-57.2	0	0	0	114.4	T163 C164 L165 R166 K303	N137-T163 PolarHBondContact N-O 2.86Å; N137-C164 WeakPolarHBondContact CA-O 3.44Å; N137-C164 PolarHBondContact N-O 3.02Å; N137-L165 WeakPolarHBondContact CA-O 3.39Å; N137-L165 PolarHBondContact OD1-O 3.23Å; N137-L165 VanDerWaalsContact OD1-O 3.08Å; N137-R166 VanDerWaalsContact C-CG 3.49Å; N137-R166 HydrophobicContact CB-CG 4.32Å; N137-R166 WeakPolarHBondContact O-CG 3.32Å; N137-K303 PolarHBondContact OD1-NZ 3.28Å
138	T	98.2	Very high	95.7	Very high	30 Å²	30	27.3 Å²	27.3	18%	0.184	14%	0.142	C	C	.	.			trans	-118.1	-17.6	177.5	57.3	0	0	0	0	115.2	R135 P136 C164	R135-T138 HydrophobicContact CB-CG2 3.81Å; R135-T138 PolarHBondContact O-OG1 3.3Å; P136-T138 PolarHBondContact O-N 2.79Å; T138-C164 PolarHBondContact N-O 3.23Å
139	L	98.6	Very high	95.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	143.1	-179.8	-59.9	175.1	0	0	0	110	V78 L80 F134 V142 C164 L165 R166	V78-L139 HydrophobicContact CG1-CD2 3.76Å; L80-L139 HydrophobicContact CB-CD1 3.79Å; L80-L139 HydrophobicContact CB-CD2 4.22Å; L80-L139 HydrophobicContact CD2-CD1 3.77Å; L80-L139 HydrophobicContact CG-CD1 4.45Å; F134-L139 HydrophobicContact CB-CD1 4.33Å; F134-L139 HydrophobicContact CD1-CD1 4.26Å; F134-L139 HydrophobicContact CD1-CD2 3.81Å; F134-L139 HydrophobicContact CD1-CG 4.19Å; F134-L139 HydrophobicContact CD2-CD1 4.25Å; F134-L139 HydrophobicContact CE1-CD2 3.85Å; F134-L139 HydrophobicContact CG-CD1 4.02Å; F134-L139 HydrophobicContact CG-CD2 4.41Å; F134-L139 HydrophobicContact CG-CG 4.37Å; F134-L139 HydrophobicContact CZ-CD2 4.49Å; L139-V142 HydrophobicContact CB-CG2 4.45Å; L139-V142 HydrophobicContact CD1-CG2 3.81Å; L139-C164 HydrophobicContact CD1-CB 4Å; L139-C164 PolarHBondContact N-O 3.23Å; L139-L165 HydrophobicContact CB-CD2 4.29Å; L139-L165 CarbonylContact O-C 3.55Å; L139-L165 VanDerWaalsContact O-CA 3.26Å; L139-L165 WeakPolarHBondContact O-CA 3.23Å; L139-R166 PolarHBondContact O-N 3.31Å
140	D	97.9	Very high	96.2	Very high	19 Å²	19	24.8 Å²	24.8	10%	0.102	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-26	174.3	-52.2	-61.4	0	0	0	111.3	F76 D77 V78 R166 G169 C170	F76-D140 HydrophobicContact CB-CB 4.12Å; F76-D140 HydrophobicContact CD1-CB 3.89Å; F76-D140 VanDerWaalsContact CD1-O 3.29Å; F76-D140 WeakPolarHBondContact CD1-O 3.42Å; F76-D140 WeakPolarHBondContact CE1-O 3.23Å; D77-D140 WeakPolarHBondContact CB-OD2 3.34Å; D77-D140 PolarHBondContact N-OD2 2.89Å; V78-D140 PolarHBondContact N-OD2 2.72Å; V78-D140 PolarHBondContact O-N 3.42Å; D140-R166 VanDerWaalsContact CG-NH1 3.3Å; D140-R166 VanDerWaalsContact OD1-CD 3.22Å; D140-R166 WeakPolarHBondContact OD1-CD 3.4Å; D140-R166 IonicContact OD1-CZ 3.51Å; D140-R166 IonicContact OD1-NE 3.67Å; D140-R166 IonicContact OD1-NH1 2.76Å; D140-R166 PolarHBondContact OD1-NH1 3.01Å; D140-R166 IonicContact OD2-CZ 3.93Å; D140-R166 IonicContact OD2-NH1 3.07Å; D140-R166 PolarHBondContact OD2-NH1 2.91Å; D140-R166 VanDerWaalsContact OD2-NH1 3.07Å; D140-G169 CarbonylContact O-C 3.4Å; D140-G169 WeakPolarHBondContact O-CA 3.44Å; D140-C170 PolarHBondContact O-N 2.69Å; D140-C170 VanDerWaalsContact O-N 3.15Å
141	L	98.7	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.1	-179.8	177.9	63.9	0	0	0	110.5	L69 F76 V78 A79 L80 I98 L143 C170 L172	L69-L141 HydrophobicContact CD1-CD2 3.61Å; L69-L141 HydrophobicContact CD2-CD2 4.35Å; F76-L141 HydrophobicContact CB-CB 3.99Å; F76-L141 HydrophobicContact CB-CD2 4.46Å; F76-L141 HydrophobicContact CD1-CB 3.59Å; F76-L141 HydrophobicContact CD1-CG 4.48Å; F76-L141 HydrophobicContact CD2-CB 4.44Å; F76-L141 HydrophobicContact CD2-CD2 4.04Å; F76-L141 HydrophobicContact CE1-CB 3.99Å; F76-L141 HydrophobicContact CE1-CD1 4.21Å; F76-L141 HydrophobicContact CE2-CD2 4.36Å; F76-L141 HydrophobicContact CG-CB 3.79Å; F76-L141 HydrophobicContact CG-CD2 4.16Å; F76-L141 HydrophobicContact CZ-CD1 4.25Å; V78-L141 PolarHBondContact O-N 3.18Å; A79-L141 CarbonylContact C-O 3.54Å; A79-L141 VanDerWaalsContact CA-O 3.27Å; A79-L141 WeakPolarHBondContact CA-O 3.29Å; A79-L141 HydrophobicContact CB-CB 3.98Å; A79-L141 HydrophobicContact CB-CD2 4.14Å; A79-L141 HydrophobicContact CB-CG 4.31Å; L80-L141 PolarHBondContact N-O 3.4Å; I98-L141 HydrophobicContact CD1-CD2 3.69Å; I98-L141 HydrophobicContact CG1-CD2 4.2Å; L141-L143 HydrophobicContact CD1-CD2 4.23Å; L141-L143 HydrophobicContact CD1-CG 4.38Å; L141-L143 HydrophobicContact CD2-CD1 3.87Å; L141-L143 HydrophobicContact CD2-CD2 4.12Å; L141-L143 HydrophobicContact CD2-CG 3.9Å; L141-L143 HydrophobicContact CG-CD1 4.39Å; L141-L143 HydrophobicContact CG-CD2 4.28Å; L141-L143 HydrophobicContact CG-CG 3.95Å; L141-C170 CarbonylContact C-O 3.58Å; L141-C170 WeakPolarHBondContact CA-O 3.38Å; L141-C170 WeakPolarHBondContact CD1-SG 3.49Å; L141-L172 HydrophobicContact CD1-CB 4.28Å
142	V	98.6	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.6	164.5	177.1	0	0	0	0	108.4	L80 I82 L139 I161 L165 C170 L171 L172	L80-V142 HydrophobicContact CB-CG2 4.35Å; L80-V142 CarbonylContact O-C 3.58Å; L80-V142 WeakPolarHBondContact O-CA 3.2Å; I82-V142 HydrophobicContact CD1-CG1 3.42Å; I82-V142 VanDerWaalsContact CD1-CG1 3.42Å; I82-V142 HydrophobicContact CG1-CG1 3.95Å; L139-V142 HydrophobicContact CB-CG2 4.45Å; L139-V142 HydrophobicContact CD1-CG2 3.81Å; V142-I161 HydrophobicContact CB-CG2 3.86Å; V142-I161 HydrophobicContact CG1-CD1 4.27Å; V142-I161 HydrophobicContact CG1-CG1 4.3Å; V142-I161 HydrophobicContact CG1-CG2 3.97Å; V142-I161 HydrophobicContact CG2-CG2 3.89Å; V142-L165 HydrophobicContact CG2-CD2 3.88Å; V142-L165 HydrophobicContact CG2-CG 4.18Å; V142-C170 PolarHBondContact N-O 2.91Å; V142-L171 HydrophobicContact CB-CD1 4.11Å; V142-L171 HydrophobicContact CG1-CD1 3.83Å; V142-L171 CarbonylContact O-C 3.53Å; V142-L171 VanDerWaalsContact O-CA 3.32Å; V142-L171 WeakPolarHBondContact O-CA 3.46Å; V142-L171 WeakPolarHBondContact O-CD1 3.46Å; V142-L172 PolarHBondContact O-N 3.31Å
143	L	98.6	Very high	96.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148	177.3	-67.3	163.6	0	0	0	109.5	L65 L80 D81 I82 L89 I93 I98 L101 L141 L172	L65-L143 HydrophobicContact CD2-CD2 4.49Å; L80-L143 PolarHBondContact O-N 3.2Å; D81-L143 HydrophobicContact CB-CB 4.46Å; I82-L143 PolarHBondContact N-O 2.8Å; L89-L143 HydrophobicContact CD2-CB 3.7Å; L89-L143 HydrophobicContact CD2-CD1 3.76Å; L89-L143 HydrophobicContact CD2-CD2 4.33Å; L89-L143 HydrophobicContact CD2-CG 4.12Å; I93-L143 HydrophobicContact CD1-CD1 4.25Å; I98-L143 HydrophobicContact CD1-CD1 3.84Å; L101-L143 HydrophobicContact CD1-CD1 4.48Å; L141-L143 HydrophobicContact CD1-CD2 4.23Å; L141-L143 HydrophobicContact CD1-CG 4.38Å; L141-L143 HydrophobicContact CD2-CD1 3.87Å; L141-L143 HydrophobicContact CD2-CD2 4.12Å; L141-L143 HydrophobicContact CD2-CG 3.9Å; L141-L143 HydrophobicContact CG-CD1 4.39Å; L141-L143 HydrophobicContact CG-CD2 4.28Å; L141-L143 HydrophobicContact CG-CG 3.95Å; L143-L172 VanDerWaalsContact CA-O 3.24Å; L143-L172 WeakPolarHBondContact CA-O 3.24Å; L143-L172 HydrophobicContact CD2-CB 3.99Å; L143-L172 HydrophobicContact CD2-CD2 3.96Å; L143-L172 HydrophobicContact CD2-CG 4.11Å
144	S	98.1	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	123.1	164.9	168.3	0	0	0	0	109.8	L148 L172 G173 V174	S144-L148 WeakPolarHBondContact OG-CD2 3.38Å; S144-L148 VanDerWaalsContact OG-CG 3.26Å; S144-L148 WeakPolarHBondContact OG-CG 3.4Å; S144-L172 PolarHBondContact N-O 2.92Å; S144-G173 CarbonylContact O-C 3.59Å; S144-G173 WeakPolarHBondContact O-CA 3.4Å; S144-V174 PolarHBondContact O-N 3.11Å
145	S	97.8	Very high	96.7	Very high	13 Å²	13	24.1 Å²	24.1	9%	0.091	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.3	172.5	-174	0	0	0	0	110.6	S147	S145-S147 VanDerWaalsContact C-N 3.33Å; S145-S147 PolarHBondContact O-N 3.1Å
146	M	96.6	Very high	96.7	Very high	12 Å²	12	20.9 Å²	20.9	6%	0.059	13%	0.125	C	C	.	.	S	Bend	trans	55.2	42.5	171.5	-60.8	-69.7	-73.1	0	0	114	I57 V61 H149 V174 P176 L296	I57-M146 HydrophobicContact CG2-CE 4.38Å; V61-M146 HydrophobicContact CB-CG 4.26Å; V61-M146 HydrophobicContact CG1-CG 3.8Å; V61-M146 HydrophobicContact CG1-SD 4.12Å; V61-M146 HydrophobicContact CG2-SD 4.47Å; M146-H149 VanDerWaalsContact C-CE1 3.47Å; M146-H149 PolarHBondContact O-CE1 3.36Å; M146-V174 PolarHBondContact N-O 3.24Å; M146-P176 HydrophobicContact CE-CG 3.56Å; M146-P176 HydrophobicContact SD-CG 3.71Å; M146-L296 HydrophobicContact SD-CD2 3.84Å
147	S	95.6	Very high	96.7	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.007	10%	0.102	C	C	.	.			trans	-133	-44.8	-176.1	179.8	0	0	0	0	114.7	G83 S145 H149 W150	G83-S147 WeakPolarHBondContact CA-OG 3.46Å; S145-S147 VanDerWaalsContact C-N 3.33Å; S145-S147 PolarHBondContact O-N 3.1Å; S147-H149 PolarHBondContact O-N 3.19Å; S147-H149 VanDerWaalsContact O-N 3.1Å; S147-W150 PolarHBondContact O-N 3.24Å
148	L	96.3	Very high	96.7	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-63.7	-22.3	-169.5	-58.9	-164.5	0	0	0	114.8	I82 S144 W150 I151 L154 L157 M175 F299	I82-L148 HydrophobicContact CG2-CD2 4.36Å; S144-L148 WeakPolarHBondContact OG-CD2 3.38Å; S144-L148 VanDerWaalsContact OG-CG 3.26Å; S144-L148 WeakPolarHBondContact OG-CG 3.4Å; L148-W150 PolarHBondContact O-N 2.92Å; L148-W150 VanDerWaalsContact O-N 3.1Å; L148-I151 WeakPolarHBondContact O-CB 3.47Å; L148-I151 WeakPolarHBondContact O-CG1 3.31Å; L148-I151 PolarHBondContact O-N 3.14Å; L148-I151 VanDerWaalsContact O-N 3.11Å; L148-L154 HydrophobicContact CB-CD1 4.04Å; L148-L154 HydrophobicContact CD1-CD1 4.22Å; L148-L157 HydrophobicContact CD2-CD2 3.96Å; L148-M175 HydrophobicContact CB-SD 4.16Å; L148-F299 HydrophobicContact CD1-CE2 4.25Å; L148-F299 HydrophobicContact CD1-CZ 3.73Å
149	H	95.5	Very high	96.7	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.037	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-65	-12.1	179.3	60.3	-68.5	0	0	0	113.7	F33 M146 S147 M175 P176 F206 E250	F33-H149 WeakPolarHBondContact CE2-O 3.32Å; F33-H149 WeakPolarHBondContact CZ-O 3.5Å; M146-H149 VanDerWaalsContact C-CE1 3.47Å; M146-H149 PolarHBondContact O-CE1 3.36Å; S147-H149 PolarHBondContact O-N 3.19Å; S147-H149 VanDerWaalsContact O-N 3.1Å; H149-M175 HydrophobicContact CB-CB 4.26Å; H149-M175 HydrophobicContact CB-SD 4.47Å; H149-P176 WeakPolarHBondContact ND1-CD 3.42Å; H149-F206 AromaticContact CD2-CE1 3.99Å; H149-E250 IonicContact CE1-OE2 2.64Å; H149-E250 IonicContact NE2-OE2 3.96Å; H149-E250 PolarHBondContact NE2-OE2 3.34Å
150	W	95.4	Very high	96.6	Very high	17 Å²	17	19.9 Å²	19.9	6%	0.064	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-94.1	-1.1	176.4	-65.4	117.2	0	0	0	114.4	F33 K38 S147 L148 S204 E250 S251 A253	F33-W150 AromaticContact CD1-CE3 3.76Å; F33-W150 HydrophobicContact CD1-CE3 3.76Å; F33-W150 AromaticContact CD1-CZ3 3.78Å; F33-W150 HydrophobicContact CD1-CZ3 3.78Å; F33-W150 HydrophobicContact CD2-CE3 4.46Å; F33-W150 WeakPolarHBondContact CD2-O 3.43Å; F33-W150 AromaticContact CE1-CE3 3.84Å; F33-W150 HydrophobicContact CE1-CE3 3.84Å; F33-W150 AromaticContact CE1-CZ3 3.76Å; F33-W150 HydrophobicContact CE1-CZ3 3.76Å; F33-W150 HydrophobicContact CG-CE3 4.08Å; F33-W150 HydrophobicContact CZ-CE3 4.22Å; F33-W150 HydrophobicContact CZ-CZ3 4.49Å; K38-W150 HydrophobicContact CD-CB 4.21Å; K38-W150 HydrophobicContact CD-CD2 3.42Å; K38-W150 VanDerWaalsContact CD-CD2 3.42Å; K38-W150 HydrophobicContact CD-CE3 3.66Å; K38-W150 HydrophobicContact CD-CG 3.65Å; K38-W150 HydrophobicContact CD-CH2 4.46Å; K38-W150 HydrophobicContact CD-CZ2 4.29Å; K38-W150 HydrophobicContact CD-CZ3 4.16Å; K38-W150 HydrophobicContact CG-CB 4.42Å; K38-W150 HydrophobicContact CG-CD2 4.48Å; K38-W150 HydrophobicContact CG-CG 4.36Å; K38-W150 VanDerWaalsContact NZ-CE2 3.33Å; S147-W150 PolarHBondContact O-N 3.24Å; L148-W150 PolarHBondContact O-N 2.92Å; L148-W150 VanDerWaalsContact O-N 3.1Å; W150-S204 WeakPolarHBondContact CH2-OG 3.26Å; W150-S204 WeakPolarHBondContact CZ3-OG 3.11Å; W150-E250 VanDerWaalsContact CZ2-OE2 3.22Å; W150-E250 WeakPolarHBondContact CZ2-OE2 3.42Å; W150-E250 PolarHBondContact NE1-OE2 2.87Å; W150-S251 WeakPolarHBondContact CH2-O 3.27Å; W150-A253 HydrophobicContact CE3-CB 4.33Å; W150-A253 HydrophobicContact CH2-CB 4.41Å; W150-A253 HydrophobicContact CZ3-CB 3.73Å
151	I	94.7	Very high	96.7	Very high	20 Å²	20	19 Å²	19	10%	0.103	10%	0.102	C	C	.	.			trans	-87.2	116.7	-173	-54.8	-63.4	0	0	0	110.9	E129 L148 D153 L154 L157	E129-I151 HydrophobicContact CB-CD1 3.83Å; L148-I151 WeakPolarHBondContact O-CB 3.47Å; L148-I151 WeakPolarHBondContact O-CG1 3.31Å; L148-I151 PolarHBondContact O-N 3.14Å; L148-I151 VanDerWaalsContact O-N 3.11Å; I151-D153 PolarHBondContact O-N 2.88Å; I151-L154 HydrophobicContact CB-CD1 4.49Å; I151-L157 HydrophobicContact CB-CD2 4.4Å; I151-L157 HydrophobicContact CD1-CD2 4.14Å; I151-L157 HydrophobicContact CG1-CD2 3.81Å; I151-L157 HydrophobicContact CG2-CB 4.2Å; I151-L157 HydrophobicContact CG2-CD2 3.95Å
152	N	94.1	Very high	96.7	Very high	35 Å²	35	20.2 Å²	20.2	19%	0.187	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-38.6	177.3	-77	-43.3	0	0	0	113.8	V32 F33	V32-N152 PolarHBondContact N-OD1 3.48Å; F33-N152 PolarHBondContact N-OD1 3.08Å; F33-N152 PolarHBondContact O-ND2 3.45Å
153	D	94.4	Very high	96.6	Very high	35 Å²	35	23.6 Å²	23.6	19%	0.187	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	62.5	176.8	-178.4	20.8	0	0	0	109.9	F26 I151 P155 G156 L157	F26-D153 HydrophobicContact CD2-CB 4.33Å; F26-D153 HydrophobicContact CE2-CB 3.94Å; F26-D153 WeakPolarHBondContact CE2-OD2 3.5Å; F26-D153 HydrophobicContact CZ-CB 4.43Å; I151-D153 PolarHBondContact O-N 2.88Å; D153-P155 VanDerWaalsContact C-CD 3.44Å; D153-G156 PolarHBondContact O-N 3.42Å; D153-G156 WeakPolarHBondContact OD1-CA 3.46Å; D153-G156 PolarHBondContact OD1-N 3.19Å; D153-L157 PolarHBondContact O-N 3.47Å
154	L	95.3	Very high	96.6	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-57.5	-43.1	176.4	-176	58.8	0	0	0	112.4	L148 I151 G156 L157 L158 V207 M212 L215	L148-L154 HydrophobicContact CB-CD1 4.04Å; L148-L154 HydrophobicContact CD1-CD1 4.22Å; I151-L154 HydrophobicContact CB-CD1 4.49Å; L154-G156 VanDerWaalsContact C-N 3.35Å; L154-G156 PolarHBondContact O-N 3.2Å; L154-L157 PolarHBondContact O-N 3.24Å; L154-L158 HydrophobicContact CD1-CD1 4.48Å; L154-L158 HydrophobicContact CD1-CG 4.2Å; L154-L158 HydrophobicContact CG-CD1 4.22Å; L154-L158 HydrophobicContact CG-CG 4.4Å; L154-L158 VanDerWaalsContact O-CG 3.29Å; L154-L158 WeakPolarHBondContact O-CG 3.4Å; L154-L158 PolarHBondContact O-N 3.33Å; L154-V207 HydrophobicContact CD2-CG2 4.35Å; L154-M212 HydrophobicContact CD2-SD 4.39Å; L154-L215 HydrophobicContact CD2-CD1 3.82Å; L154-L215 HydrophobicContact CG-CD1 4.33Å
155	P	95	Very high	96.7	Very high	55 Å²	55	23.7 Å²	23.7	36%	0.357	13%	0.13	S	C	.	.	H	α-helix	trans	-59.6	-42.2	175.9	-14.6	23.1	0	0	0	113.1	D153 L158 K159 L215	D153-P155 VanDerWaalsContact C-CD 3.44Å; P155-L158 PolarHBondContact O-N 3.16Å; P155-K159 WeakPolarHBondContact O-CG 3.49Å; P155-K159 PolarHBondContact O-N 2.92Å; P155-K159 VanDerWaalsContact O-N 3.13Å; P155-L215 HydrophobicContact CB-CD2 4.22Å; P155-L215 HydrophobicContact CG-CD2 3.7Å
156	G	95.6	Very high	96.7	Very high	24 Å²	24	27.4 Å²	27.4	25%	0.247	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-42.7	177.1	0	0	0	0	0	112.4	D153 L154 K159 Q160	D153-G156 PolarHBondContact O-N 3.42Å; D153-G156 WeakPolarHBondContact OD1-CA 3.46Å; D153-G156 PolarHBondContact OD1-N 3.19Å; L154-G156 VanDerWaalsContact C-N 3.35Å; L154-G156 PolarHBondContact O-N 3.2Å; G156-K159 PolarHBondContact O-N 3.21Å; G156-Q160 PolarHBondContact O-N 2.79Å
157	L	97.3	Very high	96.7	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-45.3	174.8	178.2	56.8	0	0	0	111.7	E129 L132 L148 I151 D153 L154 K159 Q160 I161	E129-L157 WeakPolarHBondContact O-CD1 3.48Å; L132-L157 HydrophobicContact CD1-CD1 4.1Å; L132-L157 HydrophobicContact CD2-CD1 4.31Å; L132-L157 HydrophobicContact CG-CD1 4.03Å; L148-L157 HydrophobicContact CD2-CD2 3.96Å; I151-L157 HydrophobicContact CB-CD2 4.4Å; I151-L157 HydrophobicContact CD1-CD2 4.14Å; I151-L157 HydrophobicContact CG1-CD2 3.81Å; I151-L157 HydrophobicContact CG2-CB 4.2Å; I151-L157 HydrophobicContact CG2-CD2 3.95Å; D153-L157 PolarHBondContact O-N 3.47Å; L154-L157 PolarHBondContact O-N 3.24Å; L157-K159 VanDerWaalsContact C-N 3.31Å; L157-K159 PolarHBondContact O-N 3.3Å; L157-Q160 WeakPolarHBondContact O-CA 3.42Å; L157-Q160 WeakPolarHBondContact O-CB 3.44Å; L157-Q160 PolarHBondContact O-N 3.05Å; L157-I161 HydrophobicContact CD1-CD1 4.22Å; L157-I161 HydrophobicContact CD1-CG1 4.19Å; L157-I161 HydrophobicContact CG-CD1 3.97Å; L157-I161 HydrophobicContact CG-CG1 4.41Å; L157-I161 WeakPolarHBondContact O-CG1 3.39Å; L157-I161 PolarHBondContact O-N 2.64Å
158	L	98.3	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-39.9	177.8	-69.7	175	0	0	0	112.1	L154 P155 I161 L162 L171 M212 L215 L216 A219 F221	L154-L158 HydrophobicContact CD1-CD1 4.48Å; L154-L158 HydrophobicContact CD1-CG 4.2Å; L154-L158 HydrophobicContact CG-CD1 4.22Å; L154-L158 HydrophobicContact CG-CG 4.4Å; L154-L158 VanDerWaalsContact O-CG 3.29Å; L154-L158 WeakPolarHBondContact O-CG 3.4Å; L154-L158 PolarHBondContact O-N 3.33Å; P155-L158 PolarHBondContact O-N 3.16Å; L158-I161 HydrophobicContact CD2-CD1 4.48Å; L158-I161 PolarHBondContact O-N 3.19Å; L158-L162 PolarHBondContact O-N 3.01Å; L158-L171 HydrophobicContact CD2-CD2 3.45Å; L158-L171 VanDerWaalsContact CD2-CD2 3.45Å; L158-M212 HydrophobicContact CD1-CE 4.33Å; L158-M212 HydrophobicContact CD2-CE 4.4Å; L158-L215 HydrophobicContact CD1-CB 3.88Å; L158-L216 HydrophobicContact CD1-CD2 4.28Å; L158-L216 HydrophobicContact CD2-CD2 3.96Å; L158-A219 HydrophobicContact CB-CB 3.61Å; L158-F221 HydrophobicContact CB-CE2 4.28Å; L158-F221 HydrophobicContact CD2-CE2 4.46Å; L158-F221 WeakPolarHBondContact O-CE2 3.39Å
159	K	98	Very high	96.8	Very high	113 Å²	113	32.9 Å²	32.9	49%	0.491	17%	0.172	S	C	.	.	H	α-helix	trans	-65.2	-38.1	173.3	-72.5	175.9	-178.8	177.4	0	112.6	P155 G156 L157 L162 T163 A219	P155-K159 WeakPolarHBondContact O-CG 3.49Å; P155-K159 PolarHBondContact O-N 2.92Å; P155-K159 VanDerWaalsContact O-N 3.13Å; G156-K159 PolarHBondContact O-N 3.21Å; L157-K159 VanDerWaalsContact C-N 3.31Å; L157-K159 PolarHBondContact O-N 3.3Å; K159-L162 PolarHBondContact O-N 2.67Å; K159-T163 WeakPolarHBondContact O-CB 3.36Å; K159-T163 PolarHBondContact O-N 2.76Å; K159-T163 PolarHBondContact O-OG1 3.24Å; K159-A219 HydrophobicContact CG-CB 4.06Å
160	Q	97.9	Very high	97	Very high	51 Å²	51	32.5 Å²	32.5	24%	0.238	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-45.6	175.5	-168.7	175	40.8	0	0	110.8	L132 G156 L157 L162 T163 C164	L132-Q160 HydrophobicContact CB-CG 4.08Å; L132-Q160 HydrophobicContact CD1-CG 4.2Å; L132-Q160 HydrophobicContact CG-CG 4.22Å; G156-Q160 PolarHBondContact O-N 2.79Å; L157-Q160 WeakPolarHBondContact O-CA 3.42Å; L157-Q160 WeakPolarHBondContact O-CB 3.44Å; L157-Q160 PolarHBondContact O-N 3.05Å; Q160-L162 PolarHBondContact O-N 3.31Å; Q160-T163 WeakPolarHBondContact O-CB 3.09Å; Q160-T163 PolarHBondContact O-N 2.92Å; Q160-T163 VanDerWaalsContact O-N 3.13Å; Q160-C164 PolarHBondContact O-N 2.92Å; Q160-C164 PolarHBondContact O-SG 3.16Å
161	I	98.5	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.9	-51.9	174.6	-68.7	168.8	0	0	0	110.3	I82 L132 V142 L157 L158 T163 C164 L165 L171 F221	I82-I161 HydrophobicContact CD1-CD1 3.75Å; I82-I161 HydrophobicContact CD1-CG1 3.91Å; L132-I161 HydrophobicContact CD1-CG1 3.63Å; V142-I161 HydrophobicContact CB-CG2 3.86Å; V142-I161 HydrophobicContact CG1-CD1 4.27Å; V142-I161 HydrophobicContact CG1-CG1 4.3Å; V142-I161 HydrophobicContact CG1-CG2 3.97Å; V142-I161 HydrophobicContact CG2-CG2 3.89Å; L157-I161 HydrophobicContact CD1-CD1 4.22Å; L157-I161 HydrophobicContact CD1-CG1 4.19Å; L157-I161 HydrophobicContact CG-CD1 3.97Å; L157-I161 HydrophobicContact CG-CG1 4.41Å; L157-I161 WeakPolarHBondContact O-CG1 3.39Å; L157-I161 PolarHBondContact O-N 2.64Å; L158-I161 HydrophobicContact CD2-CD1 4.48Å; L158-I161 PolarHBondContact O-N 3.19Å; I161-T163 PolarHBondContact O-N 3.35Å; I161-C164 PolarHBondContact O-N 3.43Å; I161-C164 VanDerWaalsContact O-N 3.09Å; I161-L165 HydrophobicContact CG2-CD1 3.94Å; I161-L165 HydrophobicContact CG2-CG 4.37Å; I161-L165 WeakPolarHBondContact O-CG 3.39Å; I161-L165 PolarHBondContact O-N 3.03Å; I161-L171 HydrophobicContact CD1-CD1 4.27Å; I161-L171 HydrophobicContact CD1-CD2 4.31Å; I161-L171 HydrophobicContact CG2-CB 4.18Å; I161-L171 HydrophobicContact CG2-CD1 4.32Å; I161-L171 HydrophobicContact CG2-CD2 4.35Å; I161-F221 HydrophobicContact CB-CZ 4.44Å; I161-F221 HydrophobicContact CG2-CZ 3.94Å
162	L	98.5	Very high	97.3	Very high	26 Å²	26	31 Å²	31	14%	0.136	16%	0.164	C	C	.	.	H	α-helix	trans	-57.7	-36.1	178.2	-170.5	75	0	0	0	112.4	L158 K159 Q160 A219 F221 K303	L158-L162 PolarHBondContact O-N 3.01Å; K159-L162 PolarHBondContact O-N 2.67Å; Q160-L162 PolarHBondContact O-N 3.31Å; L162-A219 WeakPolarHBondContact CD2-O 3.48Å; L162-F221 HydrophobicContact CB-CE1 4.43Å; L162-F221 HydrophobicContact CB-CE2 4.11Å; L162-F221 HydrophobicContact CB-CZ 3.93Å; L162-F221 HydrophobicContact CD1-CD1 3.64Å; L162-F221 HydrophobicContact CD1-CD2 4.32Å; L162-F221 HydrophobicContact CD1-CE1 3.62Å; L162-F221 HydrophobicContact CD1-CE2 4.29Å; L162-F221 HydrophobicContact CD1-CG 4.02Å; L162-F221 HydrophobicContact CD1-CZ 3.96Å; L162-K303 HydrophobicContact CD1-CB 3.82Å; L162-K303 HydrophobicContact CD1-CD 4.34Å; L162-K303 HydrophobicContact CD1-CG 3.81Å; L162-K303 HydrophobicContact CG-CG 4.44Å; L162-K303 WeakPolarHBondContact O-CD 3.46Å; L162-K303 WeakPolarHBondContact O-CE 3.34Å; L162-K303 PolarHBondContact O-NZ 3.42Å
163	T	98.2	Very high	97.5	Very high	70 Å²	70	29.3 Å²	29.3	43%	0.429	16%	0.155	S	C	.	.	H	α-helix	trans	-67.8	-43.4	177.2	-58.1	0	0	0	0	111.4	P136 N137 K159 Q160 I161	P136-T163 WeakPolarHBondContact CA-O 3.44Å; P136-T163 HydrophobicContact CB-CG2 3.92Å; P136-T163 HydrophobicContact CG-CG2 3.91Å; N137-T163 PolarHBondContact N-O 2.86Å; K159-T163 WeakPolarHBondContact O-CB 3.36Å; K159-T163 PolarHBondContact O-N 2.76Å; K159-T163 PolarHBondContact O-OG1 3.24Å; Q160-T163 WeakPolarHBondContact O-CB 3.09Å; Q160-T163 PolarHBondContact O-N 2.92Å; Q160-T163 VanDerWaalsContact O-N 3.13Å; I161-T163 PolarHBondContact O-N 3.35Å
164	C	98.3	Very high	97.7	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-70	-30.4	179.6	-65.2	0	0	0	0	113.4	F134 N137 T138 L139 Q160 I161	F134-C164 HydrophobicContact CB-CB 4.22Å; N137-C164 WeakPolarHBondContact CA-O 3.44Å; N137-C164 PolarHBondContact N-O 3.02Å; T138-C164 PolarHBondContact N-O 3.23Å; L139-C164 HydrophobicContact CD1-CB 4Å; L139-C164 PolarHBondContact N-O 3.23Å; Q160-C164 PolarHBondContact O-N 2.92Å; Q160-C164 PolarHBondContact O-SG 3.16Å; I161-C164 PolarHBondContact O-N 3.43Å; I161-C164 VanDerWaalsContact O-N 3.09Å
165	L	98.7	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.2	176.6	-76.4	170.2	0	0	0	111.8	N137 L139 V142 I161 F221 K303	N137-L165 WeakPolarHBondContact CA-O 3.39Å; N137-L165 PolarHBondContact OD1-O 3.23Å; N137-L165 VanDerWaalsContact OD1-O 3.08Å; L139-L165 HydrophobicContact CB-CD2 4.29Å; L139-L165 CarbonylContact O-C 3.55Å; L139-L165 VanDerWaalsContact O-CA 3.26Å; L139-L165 WeakPolarHBondContact O-CA 3.23Å; V142-L165 HydrophobicContact CG2-CD2 3.88Å; V142-L165 HydrophobicContact CG2-CG 4.18Å; I161-L165 HydrophobicContact CG2-CD1 3.94Å; I161-L165 HydrophobicContact CG2-CG 4.37Å; I161-L165 WeakPolarHBondContact O-CG 3.39Å; I161-L165 PolarHBondContact O-N 3.03Å; L165-F221 HydrophobicContact CD1-CE1 3.79Å; L165-F221 HydrophobicContact CD1-CZ 4.31Å; L165-K303 HydrophobicContact CB-CB 4.39Å; L165-K303 HydrophobicContact CB-CD 4.02Å; L165-K303 VanDerWaalsContact O-CD 3.31Å; L165-K303 WeakPolarHBondContact O-CD 3.29Å; L165-K303 PolarHBondContact O-NZ 2.84Å
166	R	98.4	Very high	98	Very high	90 Å²	90	24.8 Å²	24.8	34%	0.34	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	158.6	163	-65.9	-166	-168.1	137	-4.9	109.5	N137 L139 D140 D168 G169 K303	N137-R166 VanDerWaalsContact C-CG 3.49Å; N137-R166 HydrophobicContact CB-CG 4.32Å; N137-R166 WeakPolarHBondContact O-CG 3.32Å; L139-R166 PolarHBondContact O-N 3.31Å; D140-R166 VanDerWaalsContact CG-NH1 3.3Å; D140-R166 VanDerWaalsContact OD1-CD 3.22Å; D140-R166 WeakPolarHBondContact OD1-CD 3.4Å; D140-R166 IonicContact OD1-CZ 3.51Å; D140-R166 IonicContact OD1-NE 3.67Å; D140-R166 IonicContact OD1-NH1 2.76Å; D140-R166 PolarHBondContact OD1-NH1 3.01Å; D140-R166 IonicContact OD2-CZ 3.93Å; D140-R166 IonicContact OD2-NH1 3.07Å; D140-R166 PolarHBondContact OD2-NH1 2.91Å; D140-R166 VanDerWaalsContact OD2-NH1 3.07Å; R166-D168 PolarHBondContact O-N 2.85Å; R166-G169 WeakPolarHBondContact O-CA 3.1Å; R166-G169 PolarHBondContact O-N 2.92Å; R166-K303 WeakPolarHBondContact O-CD 3.4Å
167	N	97.2	Very high	98	Very high	89 Å²	89	23.7 Å²	23.7	48%	0.476	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	143.8	172.5	-68.9	4.6	0	0	0	110.3	G169 D305	N167-G169 PolarHBondContact O-N 2.81Å; N167-G169 VanDerWaalsContact O-N 3.07Å; N167-D305 HydrophobicContact CB-CB 4.01Å; N167-D305 WeakPolarHBondContact CB-OD1 3.2Å; N167-D305 PolarHBondContact ND2-OD1 3.2Å
168	D	96.5	Very high	97.9	Very high	40 Å²	40	27.7 Å²	27.7	21%	0.214	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61	7.7	-173.2	-156.8	42	0	0	0	114.3	R74 R166 W302 K303 D305 Q308	R74-D168 PolarHBondContact NH1-O 3.34Å; R74-D168 IonicContact NH1-OD2 3.87Å; R74-D168 PolarHBondContact NH1-OD2 2.91Å; R74-D168 PolarHBondContact NH2-O 3.1Å; R166-D168 PolarHBondContact O-N 2.85Å; D168-W302 WeakPolarHBondContact O-CZ3 3.46Å; D168-K303 PolarHBondContact N-O 3.38Å; D168-D305 HydrophobicContact CB-CB 3.75Å; D168-Q308 WeakPolarHBondContact OD1-CG 3.15Å; D168-Q308 PolarHBondContact OD1-NE2 3.25Å
169	G	97.9	Very high	97.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	159.8	165.8	0	0	0	0	0	111.6	D140 R166 N167 K303	D140-G169 CarbonylContact O-C 3.4Å; D140-G169 WeakPolarHBondContact O-CA 3.44Å; R166-G169 WeakPolarHBondContact O-CA 3.1Å; R166-G169 PolarHBondContact O-N 2.92Å; N167-G169 PolarHBondContact O-N 2.81Å; N167-G169 VanDerWaalsContact O-N 3.07Å; G169-K303 WeakPolarHBondContact O-CB 3.2Å; G169-K303 PolarHBondContact O-N 3.24Å
170	C	98.1	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.7	-178.1	66.3	0	0	0	0	113.8	D140 L141 V142 I300 G301 W302	D140-C170 PolarHBondContact O-N 2.69Å; D140-C170 VanDerWaalsContact O-N 3.15Å; L141-C170 CarbonylContact C-O 3.58Å; L141-C170 WeakPolarHBondContact CA-O 3.38Å; L141-C170 WeakPolarHBondContact CD1-SG 3.49Å; V142-C170 PolarHBondContact N-O 2.91Å; C170-I300 HydrophobicContact CB-CD1 4.49Å; C170-I300 HydrophobicContact CB-CG1 4.29Å; C170-G301 CarbonylContact C-O 3.56Å; C170-G301 VanDerWaalsContact CA-O 3.29Å; C170-G301 WeakPolarHBondContact CA-O 3.41Å; C170-G301 WeakPolarHBondContact CB-O 3.2Å; C170-W302 HydrophobicContact CB-CD2 3.65Å; C170-W302 HydrophobicContact CB-CE3 3.66Å; C170-W302 HydrophobicContact CB-CG 4.12Å; C170-W302 HydrophobicContact CB-CH2 4.27Å; C170-W302 HydrophobicContact CB-CZ2 4.27Å; C170-W302 HydrophobicContact CB-CZ3 3.97Å
171	L	98.7	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.8	162.4	168.5	62	0	0	0	107.1	V142 L158 I161 L216 F221 F299 I300 G301	V142-L171 HydrophobicContact CB-CD1 4.11Å; V142-L171 HydrophobicContact CG1-CD1 3.83Å; V142-L171 CarbonylContact O-C 3.53Å; V142-L171 VanDerWaalsContact O-CA 3.32Å; V142-L171 WeakPolarHBondContact O-CA 3.46Å; V142-L171 WeakPolarHBondContact O-CD1 3.46Å; L158-L171 HydrophobicContact CD2-CD2 3.45Å; L158-L171 VanDerWaalsContact CD2-CD2 3.45Å; I161-L171 HydrophobicContact CD1-CD1 4.27Å; I161-L171 HydrophobicContact CD1-CD2 4.31Å; I161-L171 HydrophobicContact CG2-CB 4.18Å; I161-L171 HydrophobicContact CG2-CD1 4.32Å; I161-L171 HydrophobicContact CG2-CD2 4.35Å; L171-L216 HydrophobicContact CD2-CD2 4Å; L171-F221 HydrophobicContact CB-CE1 3.77Å; L171-F221 HydrophobicContact CB-CZ 3.91Å; L171-F221 HydrophobicContact CD2-CE2 4.25Å; L171-F221 HydrophobicContact CD2-CZ 3.98Å; L171-F299 HydrophobicContact CD1-CE2 4.4Å; L171-F299 HydrophobicContact CD2-CE2 3.97Å; L171-F299 HydrophobicContact CG-CD2 4.47Å; L171-F299 HydrophobicContact CG-CE2 3.98Å; L171-I300 CarbonylContact O-C 3.58Å; L171-I300 VanDerWaalsContact O-CA 3.26Å; L171-I300 WeakPolarHBondContact O-CA 3.34Å; L171-G301 PolarHBondContact N-O 2.56Å; L171-G301 PolarHBondContact O-N 2.92Å
172	L	98.7	Very high	97.6	Very high	5 Å²	5	28 Å²	28	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.9	171.5	171.8	64.4	0	0	0	107.9	L65 L69 I72 L141 V142 L143 S144 F299 I300	L65-L172 HydrophobicContact CD1-CD1 4.01Å; L65-L172 HydrophobicContact CD1-CD2 4.36Å; L65-L172 HydrophobicContact CD1-CG 3.83Å; L65-L172 HydrophobicContact CG-CG 4.46Å; L69-L172 HydrophobicContact CB-CD2 3.89Å; L69-L172 HydrophobicContact CD1-CD2 4.3Å; I72-L172 HydrophobicContact CD1-CD2 4.44Å; L141-L172 HydrophobicContact CD1-CB 4.28Å; V142-L172 PolarHBondContact O-N 3.31Å; L143-L172 VanDerWaalsContact CA-O 3.24Å; L143-L172 WeakPolarHBondContact CA-O 3.24Å; L143-L172 HydrophobicContact CD2-CB 3.99Å; L143-L172 HydrophobicContact CD2-CD2 3.96Å; L143-L172 HydrophobicContact CD2-CG 4.11Å; S144-L172 PolarHBondContact N-O 2.92Å; L172-F299 WeakPolarHBondContact CA-O 3.23Å; L172-I300 HydrophobicContact CB-CG1 4.48Å; L172-I300 HydrophobicContact CD1-CB 4.08Å; L172-I300 HydrophobicContact CD1-CD1 4.47Å; L172-I300 HydrophobicContact CD1-CG1 4.45Å
173	G	98.5	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	167.6	-178.5	0	0	0	0	0	114.2	S144 Y298 F299	S144-G173 CarbonylContact O-C 3.59Å; S144-G173 WeakPolarHBondContact O-CA 3.4Å; G173-Y298 WeakPolarHBondContact O-CA 3.18Å; G173-F299 PolarHBondContact N-O 3.02Å; G173-F299 WeakPolarHBondContact O-CD1 3.32Å; G173-F299 PolarHBondContact O-N 2.9Å
174	V	98.6	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136.6	175.1	58.7	0	0	0	0	109.5	V61 L65 S144 M146 L296 L297 Y298	V61-V174 HydrophobicContact CG1-CB 4.18Å; V61-V174 HydrophobicContact CG1-CG1 3.3Å; V61-V174 HydrophobicContact CG1-CG2 3.8Å; L65-V174 HydrophobicContact CB-CG1 4.31Å; L65-V174 HydrophobicContact CD1-CB 4.24Å; L65-V174 HydrophobicContact CD1-CG1 4.11Å; L65-V174 HydrophobicContact CD2-CG1 4.1Å; L65-V174 HydrophobicContact CG-CG1 4.41Å; S144-V174 PolarHBondContact O-N 3.11Å; M146-V174 PolarHBondContact N-O 3.24Å; V174-L296 HydrophobicContact CG2-CB 4Å; V174-L296 HydrophobicContact CG2-CD2 4.46Å; V174-L297 WeakPolarHBondContact CA-O 3.39Å; V174-Y298 HydrophobicContact CB-CD1 3.61Å; V174-Y298 HydrophobicContact CB-CE1 3.65Å; V174-Y298 HydrophobicContact CB-CG 4.24Å; V174-Y298 HydrophobicContact CG1-CD1 4.48Å; V174-Y298 HydrophobicContact CG1-CE1 4.16Å; V174-Y298 HydrophobicContact CG2-CD1 3.75Å; V174-Y298 HydrophobicContact CG2-CD2 4.17Å; V174-Y298 HydrophobicContact CG2-CE1 3.55Å; V174-Y298 HydrophobicContact CG2-CE2 3.97Å; V174-Y298 HydrophobicContact CG2-CG 4.05Å
175	M	97.6	Very high	97.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.9	173	67.6	-175.6	177	0	0	110.8	L148 H149 A177 V207 M212 L297 F299	L148-M175 HydrophobicContact CB-SD 4.16Å; H149-M175 HydrophobicContact CB-CB 4.26Å; H149-M175 HydrophobicContact CB-SD 4.47Å; M175-A177 PolarHBondContact O-N 3.06Å; M175-V207 HydrophobicContact CE-CB 3.96Å; M175-V207 HydrophobicContact CE-CG1 4.18Å; M175-V207 HydrophobicContact CE-CG2 4.44Å; M175-M212 HydrophobicContact CE-CB 4.28Å; M175-M212 HydrophobicContact CE-CE 4.29Å; M175-M212 HydrophobicContact CE-CG 3.82Å; M175-M212 HydrophobicContact CE-SD 3.39Å; M175-M212 WeakPolarHBondContact CE-SD 2.95Å; M175-L297 HydrophobicContact CE-CD2 3.94Å; M175-L297 PolarHBondContact N-O 3.03Å; M175-L297 VanDerWaalsContact N-O 3.12Å; M175-L297 PolarHBondContact O-N 3.05Å; M175-F299 HydrophobicContact CE-CE1 4.34Å; M175-F299 HydrophobicContact CG-CE1 4.05Å; M175-F299 HydrophobicContact SD-CE1 4.25Å
176	P	97.6	Very high	97.6	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	134.5	168.7	-20.7	34.3	0	0	0	110.9	M146 H149 T180 F206 R295	M146-P176 HydrophobicContact CE-CG 3.56Å; M146-P176 HydrophobicContact SD-CG 3.71Å; H149-P176 WeakPolarHBondContact ND1-CD 3.42Å; P176-T180 HydrophobicContact CB-CG2 4.07Å; P176-F206 HydrophobicContact CB-CD1 3.79Å; P176-F206 HydrophobicContact CB-CE1 3.7Å; P176-F206 HydrophobicContact CB-CZ 4.48Å; P176-F206 HydrophobicContact CG-CE1 4.42Å; P176-R295 CarbonylContact C-O 3.52Å; P176-R295 WeakPolarHBondContact CA-O 3.4Å
177	A	95.9	Very high	97.6	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.017	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-106.4	178.2	-177.8	0	0	0	0	0	111.4	M175 T180 F206 V207 R295 L297	M175-A177 PolarHBondContact O-N 3.06Å; A177-T180 VanDerWaalsContact O-CB 3.31Å; A177-T180 WeakPolarHBondContact O-CB 3.41Å; A177-T180 PolarHBondContact O-N 2.9Å; A177-T180 VanDerWaalsContact O-N 3.14Å; A177-T180 PolarHBondContact O-OG1 3.44Å; A177-F206 VanDerWaalsContact O-CB 3.24Å; A177-F206 WeakPolarHBondContact O-CB 3.49Å; A177-F206 WeakPolarHBondContact O-CG 3.47Å; A177-V207 WeakPolarHBondContact CA-O 3.43Å; A177-R295 HydrophobicContact CB-CG 4.42Å; A177-R295 PolarHBondContact N-O 3.3Å; A177-L297 HydrophobicContact CB-CB 3.79Å
178	M	94.9	Very high	97.6	Very high	87 Å²	87	20.3 Å²	20.3	43%	0.429	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45	145.4	167.6	-174.7	168.8	-78.7	0	0	110.6	T180 V207 D208 R295	M178-T180 PolarHBondContact O-N 2.95Å; M178-V207 PolarHBondContact N-O 3Å; M178-D208 HydrophobicContact CB-CB 4.2Å; M178-D208 HydrophobicContact CE-CB 4.11Å; M178-D208 HydrophobicContact SD-CB 4.2Å; M178-R295 VanDerWaalsContact O-CD 3.29Å; M178-R295 WeakPolarHBondContact O-CD 3.46Å
179	D	94.8	Very high	97.7	Very high	75 Å²	75	21.8 Å²	21.8	40%	0.401	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	-2.1	-174	-58.8	-35.1	0	0	0	118.1	L181 Y182 R185	D179-L181 PolarHBondContact O-N 3.34Å; D179-Y182 WeakPolarHBondContact O-CB 3.47Å; D179-Y182 WeakPolarHBondContact O-CD1 3.32Å; D179-Y182 PolarHBondContact O-N 3.3Å; D179-Y182 VanDerWaalsContact O-N 3.16Å; D179-R185 IonicContact OD1-NH2 3.1Å; D179-R185 PolarHBondContact OD1-NH2 2.93Å
180	T	97.7	Very high	97.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	131.3	162.1	-64.5	0	0	0	0	110.7	P176 A177 M178 Y182 R185 F206 T293 Y294 R295	P176-T180 HydrophobicContact CB-CG2 4.07Å; A177-T180 VanDerWaalsContact O-CB 3.31Å; A177-T180 WeakPolarHBondContact O-CB 3.41Å; A177-T180 PolarHBondContact O-N 2.9Å; A177-T180 VanDerWaalsContact O-N 3.14Å; A177-T180 PolarHBondContact O-OG1 3.44Å; M178-T180 PolarHBondContact O-N 2.95Å; T180-Y182 VanDerWaalsContact C-N 3.27Å; T180-Y182 PolarHBondContact O-N 3.06Å; T180-R185 PolarHBondContact O-NH1 2.93Å; T180-F206 HydrophobicContact CG2-CE1 4.37Å; T180-F206 HydrophobicContact CG2-CE2 3.87Å; T180-F206 HydrophobicContact CG2-CZ 3.76Å; T180-T293 WeakPolarHBondContact CA-O 3.45Å; T180-Y294 HydrophobicContact CG2-CD1 4.1Å; T180-R295 PolarHBondContact OG1-N 3.5Å; T180-R295 VanDerWaalsContact OG1-N 3.15Å; T180-R295 PolarHBondContact OG1-O 2.93Å; T180-R295 VanDerWaalsContact OG1-O 3.05Å
181	L	98.1	Very high	97.7	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.042	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	34.1	-178.5	-58.2	170.2	0	0	0	113.8	D179 E183 L184 R185 I203 L241 L245 A292 T293 Y294	D179-L181 PolarHBondContact O-N 3.34Å; L181-E183 VanDerWaalsContact C-N 3.27Å; L181-E183 PolarHBondContact O-N 3.43Å; L181-L184 HydrophobicContact CB-CB 4.38Å; L181-L184 PolarHBondContact O-N 2.88Å; L181-R185 WeakPolarHBondContact O-CB 3.37Å; L181-R185 PolarHBondContact O-N 3.46Å; L181-I203 HydrophobicContact CB-CD1 4Å; L181-I203 WeakPolarHBondContact O-CD1 3.37Å; L181-L241 HydrophobicContact CD2-CD1 4.3Å; L181-L245 HydrophobicContact CD1-CD1 3.79Å; L181-L245 HydrophobicContact CD1-CD2 3.85Å; L181-L245 HydrophobicContact CD1-CG 4.5Å; L181-L245 HydrophobicContact CD2-CD1 4.45Å; L181-A292 HydrophobicContact CD2-CB 4.03Å; L181-T293 PolarHBondContact N-O 2.97Å; L181-Y294 HydrophobicContact CD2-CE1 4.04Å; L181-Y294 HydrophobicContact CD2-CE2 4.41Å; L181-Y294 HydrophobicContact CG-CE1 4.47Å
182	Y	97.9	Very high	97.6	Very high	84 Å²	84	25.4 Å²	25.4	33%	0.329	12%	0.123	S	C	.	.	H	α-helix	trans	-61.7	-34.4	-177.9	79.4	-87.3	0	0	0	112.8	D179 T180 R185 V186 F277 T293	D179-Y182 WeakPolarHBondContact O-CB 3.47Å; D179-Y182 WeakPolarHBondContact O-CD1 3.32Å; D179-Y182 PolarHBondContact O-N 3.3Å; D179-Y182 VanDerWaalsContact O-N 3.16Å; T180-Y182 VanDerWaalsContact C-N 3.27Å; T180-Y182 PolarHBondContact O-N 3.06Å; Y182-R185 VanDerWaalsContact CB-NH2 3.33Å; Y182-R185 WeakPolarHBondContact O-CB 3.4Å; Y182-R185 PolarHBondContact O-N 3.03Å; Y182-V186 WeakPolarHBondContact O-CB 3.33Å; Y182-V186 VanDerWaalsContact O-CG2 3.29Å; Y182-V186 WeakPolarHBondContact O-CG2 3.44Å; Y182-V186 PolarHBondContact O-N 2.79Å; Y182-F277 AromaticContact CE2-CE1 3.93Å; Y182-F277 HydrophobicContact CE2-CE1 3.93Å; Y182-F277 HydrophobicContact CE2-CZ 4.46Å; Y182-T293 HydrophobicContact CE1-CG2 4.31Å
183	E	98.6	Very high	97.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-45.5	179.5	-53.4	92.3	152.4	0	0	111.1	L181 S187 Y273 F277 P291 T293	L181-E183 VanDerWaalsContact C-N 3.27Å; L181-E183 PolarHBondContact O-N 3.43Å; E183-S187 VanDerWaalsContact O-CB 3.31Å; E183-S187 WeakPolarHBondContact O-CB 3.24Å; E183-S187 PolarHBondContact O-N 3Å; E183-S187 PolarHBondContact O-OG 2.77Å; E183-Y273 HydrophobicContact CB-CD2 4.32Å; E183-Y273 HydrophobicContact CB-CE2 3.37Å; E183-Y273 WeakPolarHBondContact CB-OH 3.38Å; E183-Y273 HydrophobicContact CG-CE2 4.35Å; E183-F277 HydrophobicContact CB-CB 4.48Å; E183-F277 HydrophobicContact CB-CD1 4.25Å; E183-F277 HydrophobicContact CB-CD2 3.83Å; E183-F277 HydrophobicContact CB-CE1 4.44Å; E183-F277 HydrophobicContact CB-CE2 4.04Å; E183-F277 HydrophobicContact CB-CG 3.94Å; E183-F277 HydrophobicContact CB-CZ 4.34Å; E183-F277 HydrophobicContact CG-CB 4.41Å; E183-F277 HydrophobicContact CG-CD1 3.85Å; E183-F277 HydrophobicContact CG-CD2 4.33Å; E183-F277 HydrophobicContact CG-CE1 4.14Å; E183-F277 HydrophobicContact CG-CG 3.96Å; E183-F277 HydrophobicContact CG-CZ 4.49Å; E183-P291 HydrophobicContact CG-CG 4.4Å; E183-T293 VanDerWaalsContact OE1-CB 3.27Å; E183-T293 WeakPolarHBondContact OE1-CB 3.43Å; E183-T293 PolarHBondContact OE1-N 3.02Å; E183-T293 PolarHBondContact OE1-OG1 2.78Å; E183-T293 PolarHBondContact OE2-N 2.8Å
184	L	98.4	Very high	97.5	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-43.2	173.7	-179.7	63.4	0	0	0	110.9	L181 S187 L188 I203 I238 L241 L245 Y273	L181-L184 HydrophobicContact CB-CB 4.38Å; L181-L184 PolarHBondContact O-N 2.88Å; L184-S187 PolarHBondContact O-N 3.12Å; L184-L188 HydrophobicContact CD1-CD1 3.86Å; L184-L188 HydrophobicContact CD1-CG 4.22Å; L184-L188 HydrophobicContact CG-CD1 3.88Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.27Å; L184-L188 PolarHBondContact O-N 3.03Å; L184-I203 HydrophobicContact CB-CD1 4Å; L184-I203 HydrophobicContact CD2-CD1 4Å; L184-I203 HydrophobicContact CD2-CG1 4.36Å; L184-I203 HydrophobicContact CG-CD1 3.89Å; L184-I238 HydrophobicContact CD1-CD1 3.63Å; L184-I238 HydrophobicContact CD1-CG1 3.58Å; L184-L241 HydrophobicContact CB-CD2 4.2Å; L184-L241 HydrophobicContact CD1-CD2 4.29Å; L184-L241 HydrophobicContact CD2-CD2 4.08Å; L184-L241 HydrophobicContact CD2-CG 4.47Å; L184-L241 HydrophobicContact CG-CD2 4.41Å; L184-L245 HydrophobicContact CD2-CD1 3.79Å; L184-Y273 VanDerWaalsContact CA-CE1 3.49Å; L184-Y273 HydrophobicContact CB-CE1 3.82Å; L184-Y273 HydrophobicContact CD1-CD1 4.31Å; L184-Y273 HydrophobicContact CD1-CE1 3.91Å; L184-Y273 HydrophobicContact CG-CE1 4.49Å
185	R	97.7	Very high	97.4	Very high	62 Å²	62	42 Å²	42	23%	0.234	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-52.4	179.7	-169.9	169	58.5	-110.8	6	111.7	D179 T180 L181 Y182 S187 L188 Q189 I203	D179-R185 IonicContact OD1-NH2 3.1Å; D179-R185 PolarHBondContact OD1-NH2 2.93Å; T180-R185 PolarHBondContact O-NH1 2.93Å; L181-R185 WeakPolarHBondContact O-CB 3.37Å; L181-R185 PolarHBondContact O-N 3.46Å; Y182-R185 VanDerWaalsContact CB-NH2 3.33Å; Y182-R185 WeakPolarHBondContact O-CB 3.4Å; Y182-R185 PolarHBondContact O-N 3.03Å; R185-S187 VanDerWaalsContact C-N 3.34Å; R185-L188 PolarHBondContact O-N 3.14Å; R185-Q189 WeakPolarHBondContact O-CB 3.39Å; R185-Q189 VanDerWaalsContact O-CG 3.26Å; R185-Q189 WeakPolarHBondContact O-CG 3.46Å; R185-Q189 PolarHBondContact O-N 2.83Å; R185-I203 VanDerWaalsContact CA-CD1 3.43Å; R185-I203 HydrophobicContact CB-CD1 3.53Å; R185-I203 HydrophobicContact CG-CD1 4.23Å; R185-I203 VanDerWaalsContact N-CD1 3.32Å
186	V	97.9	Very high	97.3	Very high	44 Å²	44	46.7 Å²	46.7	27%	0.267	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-44.5	-179.5	169.5	0	0	0	0	110.3	Y182 L188 Q189 L190 F277	Y182-V186 WeakPolarHBondContact O-CB 3.33Å; Y182-V186 VanDerWaalsContact O-CG2 3.29Å; Y182-V186 WeakPolarHBondContact O-CG2 3.44Å; Y182-V186 PolarHBondContact O-N 2.79Å; V186-L188 PolarHBondContact O-N 2.81Å; V186-Q189 PolarHBondContact O-N 3.31Å; V186-L190 HydrophobicContact CG1-CD1 3.75Å; V186-L190 HydrophobicContact CG1-CG 4.28Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.44Å; V186-L190 PolarHBondContact O-N 3.25Å; V186-F277 HydrophobicContact CB-CE2 4.4Å; V186-F277 HydrophobicContact CB-CZ 4.28Å; V186-F277 HydrophobicContact CG1-CE2 4.32Å; V186-F277 HydrophobicContact CG1-CZ 4.16Å
187	S	98.5	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-44.4	179.8	-58.1	0	0	0	0	112.3	E183 L184 R185 A191 Y273	E183-S187 VanDerWaalsContact O-CB 3.31Å; E183-S187 WeakPolarHBondContact O-CB 3.24Å; E183-S187 PolarHBondContact O-N 3Å; E183-S187 PolarHBondContact O-OG 2.77Å; L184-S187 PolarHBondContact O-N 3.12Å; R185-S187 VanDerWaalsContact C-N 3.34Å; S187-A191 VanDerWaalsContact O-CB 3.31Å; S187-A191 WeakPolarHBondContact O-CB 3.26Å; S187-A191 PolarHBondContact O-N 3.19Å; S187-A191 VanDerWaalsContact O-N 3.13Å; S187-Y273 VanDerWaalsContact OG-CA 3.31Å; S187-Y273 WeakPolarHBondContact OG-CA 3.31Å; S187-Y273 WeakPolarHBondContact OG-CB 3.34Å
188	L	98	Very high	97	Very high	7 Å²	7	51 Å²	51	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-68.2	-42.6	176.8	-72.4	167.5	0	0	0	112.4	L184 R185 V186 A191 E192 H202 L261 A269	L184-L188 HydrophobicContact CD1-CD1 3.86Å; L184-L188 HydrophobicContact CD1-CG 4.22Å; L184-L188 HydrophobicContact CG-CD1 3.88Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.27Å; L184-L188 PolarHBondContact O-N 3.03Å; R185-L188 PolarHBondContact O-N 3.14Å; V186-L188 PolarHBondContact O-N 2.81Å; L188-A191 PolarHBondContact O-N 3.18Å; L188-E192 WeakPolarHBondContact O-CG 3.07Å; L188-E192 PolarHBondContact O-N 3.01Å; L188-H202 HydrophobicContact CD1-CB 3.63Å; L188-L261 HydrophobicContact CD2-CD1 3.95Å; L188-L261 HydrophobicContact CD2-CD2 3.95Å; L188-A269 HydrophobicContact CD2-CB 3.78Å; L188-A269 HydrophobicContact CG-CB 4.34Å
189	Q	97.4	Very high	96.9	Very high	72 Å²	72	52.2 Å²	52.2	34%	0.336	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-43.4	180	-76.4	173.4	-18.7	0	0	112.3	R185 V186 E192 L193 I199	R185-Q189 WeakPolarHBondContact O-CB 3.39Å; R185-Q189 VanDerWaalsContact O-CG 3.26Å; R185-Q189 WeakPolarHBondContact O-CG 3.46Å; R185-Q189 PolarHBondContact O-N 2.83Å; V186-Q189 PolarHBondContact O-N 3.31Å; Q189-E192 PolarHBondContact O-N 3.42Å; Q189-L193 WeakPolarHBondContact O-CB 3.45Å; Q189-L193 PolarHBondContact O-N 3.34Å; Q189-I199 HydrophobicContact CB-CG2 4.33Å
190	L	98.2	Very high	96.8	Very high	66 Å²	66	50.3 Å²	50.3	35%	0.346	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-42.4	177.3	-68.9	174.7	0	0	0	111.5	V186 E192 L193 E194 I272 K276	V186-L190 HydrophobicContact CG1-CD1 3.75Å; V186-L190 HydrophobicContact CG1-CG 4.28Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.44Å; V186-L190 PolarHBondContact O-N 3.25Å; L190-E192 PolarHBondContact O-N 3.36Å; L190-L193 PolarHBondContact O-N 3.42Å; L190-E194 WeakPolarHBondContact O-CB 3.31Å; L190-E194 PolarHBondContact O-N 3.38Å; L190-I272 HydrophobicContact CB-CD1 3.88Å; L190-I272 HydrophobicContact CB-CG2 4.33Å; L190-I272 HydrophobicContact CD1-CG2 3.97Å; L190-K276 HydrophobicContact CD1-CD 4.03Å
191	A	98.3	Very high	96.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-43	176.3	0	0	0	0	0	112.5	S187 L188 R195 V265 A268 A269 I272	S187-A191 VanDerWaalsContact O-CB 3.31Å; S187-A191 WeakPolarHBondContact O-CB 3.26Å; S187-A191 PolarHBondContact O-N 3.19Å; S187-A191 VanDerWaalsContact O-N 3.13Å; L188-A191 PolarHBondContact O-N 3.18Å; A191-R195 VanDerWaalsContact O-CB 3.31Å; A191-R195 WeakPolarHBondContact O-CB 3.2Å; A191-R195 WeakPolarHBondContact O-CG 3.29Å; A191-R195 PolarHBondContact O-N 3.23Å; A191-V265 HydrophobicContact CB-CG1 4.02Å; A191-V265 WeakPolarHBondContact CB-O 3.49Å; A191-A268 HydrophobicContact CB-CB 3.82Å; A191-A269 HydrophobicContact CB-CB 3.73Å; A191-I272 HydrophobicContact CB-CD1 4.04Å
192	E	97.1	Very high	96.4	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-41	176.5	-75	-158.6	140.1	0	0	112.7	L188 Q189 L190 E194 R195 L196 G197 G198 S200 H202 V265	L188-E192 WeakPolarHBondContact O-CG 3.07Å; L188-E192 PolarHBondContact O-N 3.01Å; Q189-E192 PolarHBondContact O-N 3.42Å; L190-E192 PolarHBondContact O-N 3.36Å; E192-E194 VanDerWaalsContact C-N 3.29Å; E192-E194 PolarHBondContact O-N 3.39Å; E192-R195 PolarHBondContact O-N 3.37Å; E192-L196 WeakPolarHBondContact O-CA 3.31Å; E192-L196 WeakPolarHBondContact O-CB 3.48Å; E192-L196 PolarHBondContact O-N 2.92Å; E192-G197 PolarHBondContact O-N 3.2Å; E192-G198 CarbonylContact C-O 3.27Å; E192-G198 VanDerWaalsContact CB-O 3.27Å; E192-G198 WeakPolarHBondContact CB-O 3.29Å; E192-S200 PolarHBondContact OE1-OG 2.92Å; E192-S200 WeakPolarHBondContact OE2-CB 3.35Å; E192-S200 PolarHBondContact OE2-N 2.83Å; E192-S200 PolarHBondContact OE2-OG 2.97Å; E192-H202 IonicContact OE1-CD2 3.33Å; E192-H202 IonicContact OE1-CE1 2.93Å; E192-H202 IonicContact OE1-NE2 3.73Å; E192-H202 PolarHBondContact OE1-NE2 3.01Å; E192-H202 IonicContact OE2-CD2 3.69Å; E192-H202 IonicContact OE2-NE2 2.68Å; E192-H202 PolarHBondContact OE2-NE2 3.45Å; E192-V265 HydrophobicContact CB-CG1 4.46Å; E192-V265 HydrophobicContact CG-CB 4.37Å; E192-V265 HydrophobicContact CG-CG1 3.39Å; E192-V265 HydrophobicContact CG-CG2 4.02Å
193	L	97.1	Very high	96.3	Very high	99 Å²	99	50.8 Å²	50.8	52%	0.518	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-44.4	177.6	-174.2	67.4	0	0	0	110.7	Q189 L190 G197 G198 I199	Q189-L193 WeakPolarHBondContact O-CB 3.45Å; Q189-L193 PolarHBondContact O-N 3.34Å; L190-L193 PolarHBondContact O-N 3.42Å; L193-G197 VanDerWaalsContact O-CA 3.31Å; L193-G197 WeakPolarHBondContact O-CA 3.34Å; L193-G197 PolarHBondContact O-N 2.86Å; L193-G197 VanDerWaalsContact O-N 3.14Å; L193-G198 PolarHBondContact N-O 3.21Å; L193-I199 HydrophobicContact CB-CG2 4.36Å
194	E	96.7	Very high	96.1	Very high	120 Å²	120	51 Å²	51	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-67.3	-42.8	178.2	-170	-163.3	145.9	0	0	112.6	L190 E192	L190-E194 WeakPolarHBondContact O-CB 3.31Å; L190-E194 PolarHBondContact O-N 3.38Å; E192-E194 VanDerWaalsContact C-N 3.29Å; E192-E194 PolarHBondContact O-N 3.39Å
195	R	96.9	Very high	95.9	Very high	134 Å²	134	54 Å²	54	51%	0.506	30%	0.299	S	S	.	.	H	α-helix	trans	-91	-32	-170.1	-60.2	-66	160.5	166.8	-6	114.2	A191 E192 V265 A268	A191-R195 VanDerWaalsContact O-CB 3.31Å; A191-R195 WeakPolarHBondContact O-CB 3.2Å; A191-R195 WeakPolarHBondContact O-CG 3.29Å; A191-R195 PolarHBondContact O-N 3.23Å; E192-R195 PolarHBondContact O-N 3.37Å; R195-V265 HydrophobicContact CB-CG2 4.03Å; R195-A268 HydrophobicContact CG-CB 4.08Å
196	L	95.1	Very high	95.9	Very high	99 Å²	99	52.8 Å²	52.8	52%	0.518	30%	0.295	S	S	.	.	H	α-helix	trans	-121.1	-10	-171.8	-55.8	-178.7	0	0	0	113	E192 G198 V265	E192-L196 WeakPolarHBondContact O-CA 3.31Å; E192-L196 WeakPolarHBondContact O-CB 3.48Å; E192-L196 PolarHBondContact O-N 2.92Å; L196-G198 VanDerWaalsContact C-N 3.27Å; L196-G198 PolarHBondContact O-N 3.44Å; L196-V265 HydrophobicContact CD1-CG2 3.77Å; L196-V265 HydrophobicContact CG-CG2 3.92Å
197	G	94.3	Very high	95.7	Very high	65 Å²	65	52.2 Å²	52.2	67%	0.67	29%	0.291	S	S	*	.	S	Bend	trans	72.9	17.9	-179.6	0	0	0	0	0	114.1	E192 L193	E192-G197 PolarHBondContact O-N 3.2Å; L193-G197 VanDerWaalsContact O-CA 3.31Å; L193-G197 WeakPolarHBondContact O-CA 3.34Å; L193-G197 PolarHBondContact O-N 2.86Å; L193-G197 VanDerWaalsContact O-N 3.14Å
198	G	93	Very high	95.5	Very high	32 Å²	32	54.5 Å²	54.5	33%	0.33	30%	0.304	S	S	.	.	S	Bend	trans	-157.5	177.7	-179.8	0	0	0	0	0	111.4	E192 L193 L196	E192-G198 CarbonylContact C-O 3.27Å; E192-G198 VanDerWaalsContact CB-O 3.27Å; E192-G198 WeakPolarHBondContact CB-O 3.29Å; L193-G198 PolarHBondContact N-O 3.21Å; L196-G198 VanDerWaalsContact C-N 3.27Å; L196-G198 PolarHBondContact O-N 3.44Å
199	I	93.6	Very high	95.3	Very high	112 Å²	112	55.3 Å²	55.3	57%	0.574	31%	0.31	S	S	*	.			trans	-128.5	146.9	178.3	60.1	172.3	0	0	0	110.3	Q189 L193	Q189-I199 HydrophobicContact CB-CG2 4.33Å; L193-I199 HydrophobicContact CB-CG2 4.36Å
200	S	92.6	Very high	95.1	Very high	35 Å²	35	56 Å²	56	25%	0.245	32%	0.319	C	S	.	.			trans	-131.5	158.8	175	70.2	0	0	0	0	111.2	E192 H202 P258	E192-S200 PolarHBondContact OE1-OG 2.92Å; E192-S200 WeakPolarHBondContact OE2-CB 3.35Å; E192-S200 PolarHBondContact OE2-N 2.83Å; E192-S200 PolarHBondContact OE2-OG 2.97Å; S200-H202 PolarHBondContact O-N 3.45Å; S200-H202 PolarHBondContact OG-NE2 3.5Å; S200-P258 WeakPolarHBondContact OG-CG 3.44Å
201	S	92.1	Very high	95	Very high	48 Å²	48	57.1 Å²	57.1	34%	0.336	33%	0.325	S	S	.	.			trans	-77.6	104.5	178.3	169.1	0	0	0	0	109.2	I203 N252 T254 P258	S201-I203 PolarHBondContact OG-O 3.11Å; S201-I203 VanDerWaalsContact OG-O 3.1Å; S201-N252 PolarHBondContact O-ND2 3.35Å; S201-T254 PolarHBondContact OG-OG1 3.43Å; S201-P258 VanDerWaalsContact O-CD 3.29Å; S201-P258 WeakPolarHBondContact O-CD 3.35Å
202	H	94.9	Very high	95	Very high	36 Å²	36	57.1 Å²	57.1	17%	0.167	33%	0.325	C	S	.	.			trans	-97.4	-16.5	171.4	-74.4	-67.7	0	0	0	114.3	L188 E192 S200 N252 P258 L261	L188-H202 HydrophobicContact CD1-CB 3.63Å; E192-H202 IonicContact OE1-CD2 3.33Å; E192-H202 IonicContact OE1-CE1 2.93Å; E192-H202 IonicContact OE1-NE2 3.73Å; E192-H202 PolarHBondContact OE1-NE2 3.01Å; E192-H202 IonicContact OE2-CD2 3.69Å; E192-H202 IonicContact OE2-NE2 2.68Å; E192-H202 PolarHBondContact OE2-NE2 3.45Å; S200-H202 PolarHBondContact O-N 3.45Å; S200-H202 PolarHBondContact OG-NE2 3.5Å; H202-N252 WeakPolarHBondContact O-CB 3.34Å; H202-P258 WeakPolarHBondContact CE1-CG 3.4Å; H202-L261 WeakPolarHBondContact CE1-CD1 3.26Å
203	I	95.3	Very high	94.9	Very high	20 Å²	20	58.1 Å²	58.1	10%	0.103	34%	0.336	C	S	.	.	S	Bend	trans	-122.4	138.4	175.9	-65.9	163.4	0	0	0	107.2	L181 L184 R185 S201 F206	L181-I203 HydrophobicContact CB-CD1 4Å; L181-I203 WeakPolarHBondContact O-CD1 3.37Å; L184-I203 HydrophobicContact CB-CD1 4Å; L184-I203 HydrophobicContact CD2-CD1 4Å; L184-I203 HydrophobicContact CD2-CG1 4.36Å; L184-I203 HydrophobicContact CG-CD1 3.89Å; R185-I203 VanDerWaalsContact CA-CD1 3.43Å; R185-I203 HydrophobicContact CB-CD1 3.53Å; R185-I203 HydrophobicContact CG-CD1 4.23Å; R185-I203 VanDerWaalsContact N-CD1 3.32Å; S201-I203 PolarHBondContact OG-O 3.11Å; S201-I203 VanDerWaalsContact OG-O 3.1Å; I203-F206 HydrophobicContact CG2-CE2 3.75Å; I203-F206 HydrophobicContact CG2-CZ 4.22Å
204	S	95.4	Very high	95	Very high	6 Å²	6	57 Å²	57	4%	0.042	33%	0.33	C	S	.	.			trans	-60.4	141.6	175.4	-71.3	0	0	0	0	111.2	W150 F206 N252 A253	W150-S204 WeakPolarHBondContact CH2-OG 3.26Å; W150-S204 WeakPolarHBondContact CZ3-OG 3.11Å; S204-F206 WeakPolarHBondContact O-CD2 3.2Å; S204-F206 WeakPolarHBondContact O-CE2 3.28Å; S204-N252 PolarHBondContact OG-OD1 3.13Å; S204-A253 PolarHBondContact OG-N 2.81Å
205	P	94.9	Very high	95	Very high	67 Å²	67	53.2 Å²	53.2	44%	0.435	31%	0.313	S	S	.	.			trans	-65.6	147.9	171.3	29.8	-35.6	0	0	0	110.5	V32 F33 T254	V32-P205 HydrophobicContact CG1-CG 3.67Å; F33-P205 HydrophobicContact CE1-CG 4.3Å; F33-P205 HydrophobicContact CZ-CG 4.17Å; P205-T254 HydrophobicContact CG-CG2 4.3Å
206	F	96.1	Very high	95.1	Very high	36 Å²	36	46.8 Å²	46.8	16%	0.158	29%	0.289	C	S	.	.			trans	-119	156.3	176.1	-57.6	-74.6	0	0	0	110.2	H149 P176 A177 T180 I203 S204	H149-F206 AromaticContact CD2-CE1 3.99Å; P176-F206 HydrophobicContact CB-CD1 3.79Å; P176-F206 HydrophobicContact CB-CE1 3.7Å; P176-F206 HydrophobicContact CB-CZ 4.48Å; P176-F206 HydrophobicContact CG-CE1 4.42Å; A177-F206 VanDerWaalsContact O-CB 3.24Å; A177-F206 WeakPolarHBondContact O-CB 3.49Å; A177-F206 WeakPolarHBondContact O-CG 3.47Å; T180-F206 HydrophobicContact CG2-CE1 4.37Å; T180-F206 HydrophobicContact CG2-CE2 3.87Å; T180-F206 HydrophobicContact CG2-CZ 3.76Å; I203-F206 HydrophobicContact CG2-CE2 3.75Å; I203-F206 HydrophobicContact CG2-CZ 4.22Å; S204-F206 WeakPolarHBondContact O-CD2 3.2Å; S204-F206 WeakPolarHBondContact O-CE2 3.28Å
207	V	94.1	Very high	95.2	Very high	32 Å²	32	48.4 Å²	48.4	19%	0.194	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-79.5	139.3	178.8	179.8	0	0	0	0	109.3	L154 M175 A177 M178 D211 M212 L215	L154-V207 HydrophobicContact CD2-CG2 4.35Å; M175-V207 HydrophobicContact CE-CB 3.96Å; M175-V207 HydrophobicContact CE-CG1 4.18Å; M175-V207 HydrophobicContact CE-CG2 4.44Å; A177-V207 WeakPolarHBondContact CA-O 3.43Å; M178-V207 PolarHBondContact N-O 3Å; V207-D211 HydrophobicContact CG1-CB 4.07Å; V207-M212 HydrophobicContact CG1-CB 4.13Å; V207-L215 HydrophobicContact CG1-CD1 4.44Å
208	D	94.6	Very high	95.4	Very high	48 Å²	48	49.7 Å²	49.7	26%	0.257	29%	0.293	S	S	.	.			trans	-82.5	152.4	168.9	-177.3	24.9	0	0	0	110.8	M178 V210 D211 M212	M178-D208 HydrophobicContact CB-CB 4.2Å; M178-D208 HydrophobicContact CE-CB 4.11Å; M178-D208 HydrophobicContact SD-CB 4.2Å; D208-V210 VanDerWaalsContact C-N 3.32Å; D208-V210 PolarHBondContact O-N 2.81Å; D208-D211 PolarHBondContact O-N 3.23Å; D208-D211 VanDerWaalsContact O-N 3.16Å; D208-M212 PolarHBondContact O-N 3.41Å
209	S	93.2	Very high	95.6	Very high	24 Å²	24	48.6 Å²	48.6	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-53.5	-41.2	177.5	59.4	0	0	0	0	114.1	D211 M212 A213 L226	S209-D211 PolarHBondContact O-N 3.23Å; S209-M212 PolarHBondContact O-N 3.08Å; S209-A213 PolarHBondContact O-N 2.64Å; S209-L226 WeakPolarHBondContact O-CD1 3.39Å
210	V	94.2	Very high	95.8	Very high	86 Å²	86	44.8 Å²	44.8	52%	0.521	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-44.1	178.1	179.9	0	0	0	0	110.5	D208 A213 N214	D208-V210 VanDerWaalsContact C-N 3.32Å; D208-V210 PolarHBondContact O-N 2.81Å; V210-A213 WeakPolarHBondContact O-CB 3.02Å; V210-A213 PolarHBondContact O-N 2.77Å; V210-N214 PolarHBondContact O-N 3.47Å; V210-N214 PolarHBondContact O-ND2 3.48Å
211	D	95.9	Very high	96.1	Very high	90 Å²	90	43.5 Å²	43.5	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-65.9	-40.4	177.2	-72.2	-25.5	0	0	0	111.3	V207 D208 S209 A213 N214 L215	V207-D211 HydrophobicContact CG1-CB 4.07Å; D208-D211 PolarHBondContact O-N 3.23Å; D208-D211 VanDerWaalsContact O-N 3.16Å; S209-D211 PolarHBondContact O-N 3.23Å; D211-A213 VanDerWaalsContact C-N 3.33Å; D211-A213 PolarHBondContact O-N 2.73Å; D211-N214 WeakPolarHBondContact O-CB 3.22Å; D211-N214 PolarHBondContact O-N 2.96Å; D211-L215 WeakPolarHBondContact O-CB 3.06Å; D211-L215 VanDerWaalsContact O-CG 3.25Å; D211-L215 WeakPolarHBondContact O-CG 3.41Å; D211-L215 PolarHBondContact O-N 2.76Å
212	M	97.5	Very high	96.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-40.6	176.5	-171	59.1	-167.8	0	0	112.4	L154 L158 M175 V207 D208 S209 N214 L215 L216 L226 L297 F299	L154-M212 HydrophobicContact CD2-SD 4.39Å; L158-M212 HydrophobicContact CD1-CE 4.33Å; L158-M212 HydrophobicContact CD2-CE 4.4Å; M175-M212 HydrophobicContact CE-CB 4.28Å; M175-M212 HydrophobicContact CE-CE 4.29Å; M175-M212 HydrophobicContact CE-CG 3.82Å; M175-M212 HydrophobicContact CE-SD 3.39Å; M175-M212 WeakPolarHBondContact CE-SD 2.95Å; V207-M212 HydrophobicContact CG1-CB 4.13Å; D208-M212 PolarHBondContact O-N 3.41Å; S209-M212 PolarHBondContact O-N 3.08Å; M212-N214 VanDerWaalsContact C-N 3.34Å; M212-N214 PolarHBondContact O-N 2.96Å; M212-L215 PolarHBondContact O-N 3.3Å; M212-L215 HydrophobicContact SD-CD1 4.41Å; M212-L216 HydrophobicContact CE-CD1 3.87Å; M212-L216 HydrophobicContact CE-CD2 3.86Å; M212-L216 HydrophobicContact CE-CG 3.69Å; M212-L216 HydrophobicContact CG-CD1 4.32Å; M212-L216 WeakPolarHBondContact O-CG 3.4Å; M212-L216 PolarHBondContact O-N 3.45Å; M212-L226 HydrophobicContact CG-CD2 4.44Å; M212-L297 HydrophobicContact CB-CD2 3.57Å; M212-L297 HydrophobicContact CG-CD2 3.74Å; M212-F299 HydrophobicContact CE-CD1 4.03Å; M212-F299 HydrophobicContact CE-CD2 3.77Å; M212-F299 HydrophobicContact CE-CE1 4Å; M212-F299 HydrophobicContact CE-CE2 3.74Å; M212-F299 HydrophobicContact CE-CG 3.93Å; M212-F299 HydrophobicContact CE-CZ 3.87Å; M212-F299 HydrophobicContact CG-CD1 4.45Å
213	A	96.5	Very high	96.4	Very high	32 Å²	32	46 Å²	46	26%	0.264	27%	0.269	S	S	.	.	H	α-helix	trans	-58.4	-47.4	173.8	0	0	0	0	0	111.3	S209 V210 D211 L215 L216 Q217 L226	S209-A213 PolarHBondContact O-N 2.64Å; V210-A213 WeakPolarHBondContact O-CB 3.02Å; V210-A213 PolarHBondContact O-N 2.77Å; D211-A213 VanDerWaalsContact C-N 3.33Å; D211-A213 PolarHBondContact O-N 2.73Å; A213-L215 VanDerWaalsContact C-N 3.33Å; A213-L215 PolarHBondContact O-N 3.36Å; A213-L216 PolarHBondContact O-N 3.41Å; A213-Q217 WeakPolarHBondContact O-CB 3.13Å; A213-Q217 PolarHBondContact O-N 2.93Å; A213-L226 HydrophobicContact CB-CD1 3.72Å
214	N	97.5	Very high	96.4	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-39.4	178.7	-68.7	-33	0	0	0	111.9	V210 D211 M212 S218	V210-N214 PolarHBondContact O-N 3.47Å; V210-N214 PolarHBondContact O-ND2 3.48Å; D211-N214 WeakPolarHBondContact O-CB 3.22Å; D211-N214 PolarHBondContact O-N 2.96Å; M212-N214 VanDerWaalsContact C-N 3.34Å; M212-N214 PolarHBondContact O-N 2.96Å; N214-S218 WeakPolarHBondContact O-CB 3.29Å; N214-S218 PolarHBondContact O-N 3.1Å; N214-S218 PolarHBondContact O-OG 2.92Å
215	L	97.5	Very high	96.5	Very high	40 Å²	40	51.2 Å²	51.2	21%	0.209	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-47.4	177.5	-73.5	177.5	0	0	0	112.1	L154 P155 L158 V207 D211 M212 A213 S218 A219	L154-L215 HydrophobicContact CD2-CD1 3.82Å; L154-L215 HydrophobicContact CG-CD1 4.33Å; P155-L215 HydrophobicContact CB-CD2 4.22Å; P155-L215 HydrophobicContact CG-CD2 3.7Å; L158-L215 HydrophobicContact CD1-CB 3.88Å; V207-L215 HydrophobicContact CG1-CD1 4.44Å; D211-L215 WeakPolarHBondContact O-CB 3.06Å; D211-L215 VanDerWaalsContact O-CG 3.25Å; D211-L215 WeakPolarHBondContact O-CG 3.41Å; D211-L215 PolarHBondContact O-N 2.76Å; M212-L215 PolarHBondContact O-N 3.3Å; M212-L215 HydrophobicContact SD-CD1 4.41Å; A213-L215 VanDerWaalsContact C-N 3.33Å; A213-L215 PolarHBondContact O-N 3.36Å; L215-S218 PolarHBondContact O-N 2.89Å; L215-A219 WeakPolarHBondContact O-CB 3.35Å; L215-A219 PolarHBondContact O-N 3.44Å
216	L	98.4	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-46.2	177.1	-73.4	169.1	0	0	0	111.4	L158 L171 M212 A213 S218 A219 G220 F221 I224 L226 F299	L158-L216 HydrophobicContact CD1-CD2 4.28Å; L158-L216 HydrophobicContact CD2-CD2 3.96Å; L171-L216 HydrophobicContact CD2-CD2 4Å; M212-L216 HydrophobicContact CE-CD1 3.87Å; M212-L216 HydrophobicContact CE-CD2 3.86Å; M212-L216 HydrophobicContact CE-CG 3.69Å; M212-L216 HydrophobicContact CG-CD1 4.32Å; M212-L216 WeakPolarHBondContact O-CG 3.4Å; M212-L216 PolarHBondContact O-N 3.45Å; A213-L216 PolarHBondContact O-N 3.41Å; L216-S218 PolarHBondContact O-N 3Å; L216-A219 PolarHBondContact O-N 3.2Å; L216-G220 PolarHBondContact O-N 3.4Å; L216-F221 HydrophobicContact CB-CB 4.41Å; L216-F221 HydrophobicContact CB-CD2 4.49Å; L216-F221 HydrophobicContact CD2-CD2 3.78Å; L216-F221 HydrophobicContact CD2-CE2 4.15Å; L216-F221 HydrophobicContact CD2-CG 4.28Å; L216-F221 PolarHBondContact O-N 3.09Å; L216-F221 VanDerWaalsContact O-N 3.08Å; L216-I224 HydrophobicContact CB-CD1 3.61Å; L216-I224 HydrophobicContact CB-CG1 4.1Å; L216-I224 HydrophobicContact CB-CG2 4.37Å; L216-I224 HydrophobicContact CD1-CG2 3.78Å; L216-L226 HydrophobicContact CD1-CD2 4.15Å; L216-F299 HydrophobicContact CD1-CB 4.12Å; L216-F299 HydrophobicContact CD1-CD2 4.23Å; L216-F299 HydrophobicContact CD1-CG 4.42Å
217	Q	97.9	Very high	96.7	Very high	132 Å²	132	52.3 Å²	52.3	62%	0.617	30%	0.303	S	S	*	.	H	α-helix	trans	-62.5	-44.1	178.2	-172.7	177.6	46.7	0	0	111.4	A213 A219 G220 I224	A213-Q217 WeakPolarHBondContact O-CB 3.13Å; A213-Q217 PolarHBondContact O-N 2.93Å; Q217-A219 VanDerWaalsContact C-N 3.29Å; Q217-A219 PolarHBondContact O-N 2.91Å; Q217-G220 PolarHBondContact O-N 2.95Å; Q217-I224 HydrophobicContact CB-CD1 3.97Å
218	S	97.9	Very high	96.8	Very high	92 Å²	92	53.3 Å²	53.3	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-68.7	-26.4	178.7	-61.2	0	0	0	0	113.3	N214 L215 L216 G220	N214-S218 WeakPolarHBondContact O-CB 3.29Å; N214-S218 PolarHBondContact O-N 3.1Å; N214-S218 PolarHBondContact O-OG 2.92Å; L215-S218 PolarHBondContact O-N 2.89Å; L216-S218 PolarHBondContact O-N 3Å; S218-G220 VanDerWaalsContact C-N 3.29Å
219	A	97.9	Very high	96.9	Very high	10 Å²	10	53.5 Å²	53.5	8%	0.083	31%	0.308	C	S	.	.	H	α-helix	trans	-73.5	-23.6	171.9	0	0	0	0	0	112.2	L158 K159 L162 L215 L216 Q217 F221	L158-A219 HydrophobicContact CB-CB 3.61Å; K159-A219 HydrophobicContact CG-CB 4.06Å; L162-A219 WeakPolarHBondContact CD2-O 3.48Å; L215-A219 WeakPolarHBondContact O-CB 3.35Å; L215-A219 PolarHBondContact O-N 3.44Å; L216-A219 PolarHBondContact O-N 3.2Å; Q217-A219 VanDerWaalsContact C-N 3.29Å; Q217-A219 PolarHBondContact O-N 2.91Å; A219-F221 HydrophobicContact CB-CD2 4.01Å; A219-F221 HydrophobicContact CB-CE2 4.17Å
220	G	98.1	Very high	97	Very high	31 Å²	31	56.6 Å²	56.6	32%	0.32	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.6	11.7	177.1	0	0	0	0	0	114.7	L216 Q217 S218 P304	L216-G220 PolarHBondContact O-N 3.4Å; Q217-G220 PolarHBondContact O-N 2.95Å; S218-G220 VanDerWaalsContact C-N 3.29Å; G220-P304 VanDerWaalsContact O-CD 3.32Å; G220-P304 WeakPolarHBondContact O-CD 3.35Å; G220-P304 WeakPolarHBondContact O-CG 3.49Å
221	F	98.5	Very high	97.1	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.035	30%	0.3	C	S	.	.			trans	-72.3	148.9	172	-68.6	-84.1	0	0	0	111.1	L158 I161 L162 L165 L171 L216 A219 I224 G301 W302	L158-F221 HydrophobicContact CB-CE2 4.28Å; L158-F221 HydrophobicContact CD2-CE2 4.46Å; L158-F221 WeakPolarHBondContact O-CE2 3.39Å; I161-F221 HydrophobicContact CB-CZ 4.44Å; I161-F221 HydrophobicContact CG2-CZ 3.94Å; L162-F221 HydrophobicContact CB-CE1 4.43Å; L162-F221 HydrophobicContact CB-CE2 4.11Å; L162-F221 HydrophobicContact CB-CZ 3.93Å; L162-F221 HydrophobicContact CD1-CD1 3.64Å; L162-F221 HydrophobicContact CD1-CD2 4.32Å; L162-F221 HydrophobicContact CD1-CE1 3.62Å; L162-F221 HydrophobicContact CD1-CE2 4.29Å; L162-F221 HydrophobicContact CD1-CG 4.02Å; L162-F221 HydrophobicContact CD1-CZ 3.96Å; L165-F221 HydrophobicContact CD1-CE1 3.79Å; L165-F221 HydrophobicContact CD1-CZ 4.31Å; L171-F221 HydrophobicContact CB-CE1 3.77Å; L171-F221 HydrophobicContact CB-CZ 3.91Å; L171-F221 HydrophobicContact CD2-CE2 4.25Å; L171-F221 HydrophobicContact CD2-CZ 3.98Å; L216-F221 HydrophobicContact CB-CB 4.41Å; L216-F221 HydrophobicContact CB-CD2 4.49Å; L216-F221 HydrophobicContact CD2-CD2 3.78Å; L216-F221 HydrophobicContact CD2-CE2 4.15Å; L216-F221 HydrophobicContact CD2-CG 4.28Å; L216-F221 PolarHBondContact O-N 3.09Å; L216-F221 VanDerWaalsContact O-N 3.08Å; A219-F221 HydrophobicContact CB-CD2 4.01Å; A219-F221 HydrophobicContact CB-CE2 4.17Å; F221-I224 HydrophobicContact CB-CD1 4.28Å; F221-I224 HydrophobicContact CB-CG1 4.15Å; F221-I224 WeakPolarHBondContact O-CD1 3.37Å; F221-G301 VanDerWaalsContact CD1-C 3.45Å; F221-G301 WeakPolarHBondContact CD1-O 3.49Å; F221-W302 CarbonylContact C-O 3.53Å; F221-W302 VanDerWaalsContact CA-O 3.32Å; F221-W302 WeakPolarHBondContact CA-O 3.33Å
222	N	96.4	Very high	97.1	Very high	49 Å²	49	52.3 Å²	52.3	26%	0.262	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	179.8	169.9	73.3	-18.3	0	0	0	110.8	I224 W302 P304 Q308	N222-I224 PolarHBondContact O-N 3.45Å; N222-I224 VanDerWaalsContact O-N 3.13Å; N222-W302 PolarHBondContact N-O 2.91Å; N222-W302 PolarHBondContact O-N 3Å; N222-W302 PolarHBondContact OD1-O 3.25Å; N222-P304 HydrophobicContact CB-CG 4.27Å; N222-Q308 PolarHBondContact ND2-OE1 3.34Å; N222-Q308 PolarHBondContact OD1-OE1 2.73Å
223	L	95.8	Very high	97	Very high	87 Å²	87	53.9 Å²	53.9	46%	0.455	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.5	41.8	-175.5	-59.6	175.7	0	0	0	111.7	T225 W302 Q308	L223-T225 PolarHBondContact O-N 3.1Å; L223-W302 HydrophobicContact CB-CB 4.27Å; L223-W302 HydrophobicContact CB-CG 4.09Å; L223-W302 HydrophobicContact CD1-CB 4.48Å; L223-W302 HydrophobicContact CD1-CG 4.35Å; L223-Q308 HydrophobicContact CD1-CB 4.21Å; L223-Q308 HydrophobicContact CD1-CG 4.14Å
224	I	97.1	Very high	97	Very high	50 Å²	50	57 Å²	57	26%	0.256	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.1	-175	-62.7	161.8	0	0	0	108.5	L216 Q217 F221 N222 L226 I300	L216-I224 HydrophobicContact CB-CD1 3.61Å; L216-I224 HydrophobicContact CB-CG1 4.1Å; L216-I224 HydrophobicContact CB-CG2 4.37Å; L216-I224 HydrophobicContact CD1-CG2 3.78Å; Q217-I224 HydrophobicContact CB-CD1 3.97Å; F221-I224 HydrophobicContact CB-CD1 4.28Å; F221-I224 HydrophobicContact CB-CG1 4.15Å; F221-I224 WeakPolarHBondContact O-CD1 3.37Å; N222-I224 PolarHBondContact O-N 3.45Å; N222-I224 VanDerWaalsContact O-N 3.13Å; I224-L226 HydrophobicContact CG2-CD2 4.26Å; I224-L226 HydrophobicContact CG2-CG 4.36Å; I224-I300 WeakPolarHBondContact CA-O 3.37Å
225	T	96.9	Very high	97	Very high	87 Å²	87	53.9 Å²	53.9	53%	0.534	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.6	171.3	-55.3	0	0	0	0	108.3	L223 F299 I300	L223-T225 PolarHBondContact O-N 3.1Å; T225-F299 WeakPolarHBondContact O-CA 3.19Å; T225-I300 PolarHBondContact N-O 3.36Å; T225-I300 PolarHBondContact O-N 3.19Å
226	L	97.6	Very high	96.9	Very high	53 Å²	53	56.1 Å²	56.1	28%	0.277	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.1	174.7	-58.7	-175.7	0	0	0	108.6	S209 M212 A213 L216 I224 L297 Y298 F299	S209-L226 WeakPolarHBondContact O-CD1 3.39Å; M212-L226 HydrophobicContact CG-CD2 4.44Å; A213-L226 HydrophobicContact CB-CD1 3.72Å; L216-L226 HydrophobicContact CD1-CD2 4.15Å; I224-L226 HydrophobicContact CG2-CD2 4.26Å; I224-L226 HydrophobicContact CG2-CG 4.36Å; L226-L297 HydrophobicContact CB-CD1 4.15Å; L226-L297 HydrophobicContact CD1-CD1 4.49Å; L226-L297 HydrophobicContact CD2-CD1 4.41Å; L226-Y298 WeakPolarHBondContact CA-O 3.42Å; L226-F299 HydrophobicContact CD2-CB 3.27Å
227	D	96.7	Very high	96.8	Very high	73 Å²	73	58.7 Å²	58.7	39%	0.39	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.5	174.6	176.5	44.2	0	0	0	109.1	R68 Y298	R68-D227 IonicContact CZ-OD2 3.73Å; R68-D227 IonicContact NE-OD2 3.92Å; R68-D227 IonicContact NH2-OD2 3.91Å; R68-D227 PolarHBondContact NH2-OD2 3.2Å; D227-Y298 PolarHBondContact N-O 3.1Å; D227-Y298 PolarHBondContact O-N 3.01Å
228	I	96.9	Very high	96.8	Very high	52 Å²	52	52.5 Å²	52.5	27%	0.267	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.2	-178.1	-56.5	173.3	0	0	0	109.2	R295 L296 L297	I228-R295 HydrophobicContact CG2-CG 3.67Å; I228-L296 WeakPolarHBondContact CA-O 3.28Å; I228-L297 HydrophobicContact CD1-CD1 4.44Å; I228-L297 HydrophobicContact CG1-CD1 3.8Å
229	D	96.2	Very high	96.7	Very high	52 Å²	52	51.8 Å²	51.8	28%	0.278	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	162.3	176.3	-162.2	1.4	0	0	0	109.8	R64 L296 Y298	R64-D229 IonicContact CZ-OD2 3.57Å; R64-D229 IonicContact NH1-OD1 3.21Å; R64-D229 IonicContact NH1-OD2 2.8Å; R64-D229 PolarHBondContact NH1-OD2 2.75Å; D229-L296 PolarHBondContact N-O 2.69Å; D229-L296 PolarHBondContact O-N 3.13Å; D229-Y298 HydrophobicContact CB-CD2 4.37Å; D229-Y298 HydrophobicContact CB-CE2 3.84Å
230	E	96.2	Very high	96.7	Very high	90 Å²	90	52.6 Å²	52.6	42%	0.421	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.9	-180	-69	-178.8	179.9	0	0	111.1	T293 Y294 R295	E230-T293 HydrophobicContact CG-CG2 4.49Å; E230-Y294 WeakPolarHBondContact CA-O 3.33Å; E230-R295 HydrophobicContact CG-CB 4.25Å; E230-R295 HydrophobicContact CG-CG 4.07Å; E230-R295 IonicContact OE1-CZ 3.95Å; E230-R295 IonicContact OE1-NH1 2.85Å; E230-R295 PolarHBondContact OE1-NH1 3.39Å
231	I	96.2	Very high	96.6	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.108	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120	169.4	-56.6	-179.7	0	0	0	107.3	E60 V61 I233 Y294 L296	E60-I231 HydrophobicContact CG-CD1 3.7Å; V61-I231 HydrophobicContact CG2-CD1 3.99Å; I231-I233 HydrophobicContact CG2-CD1 4.18Å; I231-I233 HydrophobicContact CG2-CG1 3.89Å; I231-Y294 PolarHBondContact N-O 2.98Å; I231-Y294 PolarHBondContact O-N 3.34Å; I231-L296 HydrophobicContact CD1-CD1 3.59Å; I231-L296 HydrophobicContact CG1-CD1 3.84Å
232	V	96.1	Very high	96.5	Very high	65 Å²	65	53 Å²	53	39%	0.394	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.8	175.6	-174.8	0	0	0	0	108.8	P291 T293	V232-P291 HydrophobicContact CG1-CB 3.63Å; V232-T293 HydrophobicContact CG2-CG2 4.4Å
233	I	95.8	Very high	96.5	Very high	32 Å²	32	53.4 Å²	53.4	16%	0.164	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.5	179.8	-57.4	173.9	0	0	0	108.3	Y56 I57 I231 Y235 A292 Y294	Y56-I233 HydrophobicContact CD2-CD1 4.13Å; Y56-I233 HydrophobicContact CE2-CD1 3.6Å; Y56-I233 HydrophobicContact CE2-CG2 4.29Å; I57-I233 HydrophobicContact CD1-CD1 3.33Å; I57-I233 HydrophobicContact CG1-CD1 3.39Å; I231-I233 HydrophobicContact CG2-CD1 4.18Å; I231-I233 HydrophobicContact CG2-CG1 3.89Å; I233-Y235 HydrophobicContact CB-CD2 4.47Å; I233-Y235 HydrophobicContact CB-CE2 3.74Å; I233-Y235 HydrophobicContact CG2-CD2 4.07Å; I233-Y235 HydrophobicContact CG2-CE2 3.41Å; I233-Y235 VanDerWaalsContact CG2-CE2 3.41Å; I233-Y235 WeakPolarHBondContact O-CD2 3.43Å; I233-A292 PolarHBondContact N-O 2.57Å; I233-A292 PolarHBondContact O-N 3Å; I233-Y294 HydrophobicContact CB-CE2 4.32Å; I233-Y294 HydrophobicContact CD1-CD2 4.01Å; I233-Y294 HydrophobicContact CD1-CE2 3.78Å; I233-Y294 HydrophobicContact CG1-CD2 4.31Å; I233-Y294 HydrophobicContact CG1-CE2 4.23Å
234	H	96	Very high	96.6	Very high	98 Å²	98	50.5 Å²	50.5	45%	0.454	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.8	-177.1	-66.2	89.3	0	0	0	110.2	C289 I290	H234-C289 HydrophobicContact CB-CB 4.13Å; H234-I290 WeakPolarHBondContact CA-O 3.35Å
235	Y	96.9	Very high	96.5	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151	179.3	-67.8	-97.9	0	0	0	110.5	Y56 I233 D237 A240 L241 D244 C289 I290 A292 Y294	Y56-Y235 PolarHBondContact OH-OH 3.29Å; I233-Y235 HydrophobicContact CB-CD2 4.47Å; I233-Y235 HydrophobicContact CB-CE2 3.74Å; I233-Y235 HydrophobicContact CG2-CD2 4.07Å; I233-Y235 HydrophobicContact CG2-CE2 3.41Å; I233-Y235 VanDerWaalsContact CG2-CE2 3.41Å; I233-Y235 WeakPolarHBondContact O-CD2 3.43Å; Y235-D237 VanDerWaalsContact C-N 3.26Å; Y235-D237 PolarHBondContact O-N 3.32Å; Y235-A240 HydrophobicContact CD1-CB 4.23Å; Y235-L241 HydrophobicContact CD1-CB 3.98Å; Y235-L241 HydrophobicContact CD2-CB 4.06Å; Y235-L241 HydrophobicContact CD2-CD1 3.91Å; Y235-L241 HydrophobicContact CD2-CG 4.45Å; Y235-L241 HydrophobicContact CE1-CB 4.3Å; Y235-L241 HydrophobicContact CE1-CD1 4.23Å; Y235-L241 HydrophobicContact CE2-CB 4.43Å; Y235-L241 HydrophobicContact CE2-CD1 3.52Å; Y235-L241 HydrophobicContact CE2-CG 4.49Å; Y235-L241 HydrophobicContact CG-CB 3.81Å; Y235-L241 HydrophobicContact CG-CD1 4.44Å; Y235-D244 HydrophobicContact CE1-CB 3.9Å; Y235-C289 CarbonylContact O-C 3.53Å; Y235-C289 WeakPolarHBondContact O-CA 3.41Å; Y235-C289 VanDerWaalsContact O-CB 3.28Å; Y235-C289 WeakPolarHBondContact O-CB 3.34Å; Y235-I290 PolarHBondContact N-O 3.42Å; Y235-I290 WeakPolarHBondContact O-CG1 3.31Å; Y235-I290 PolarHBondContact O-N 3.04Å; Y235-A292 HydrophobicContact CD2-CB 3.96Å; Y235-A292 HydrophobicContact CE2-CB 3.74Å; Y235-Y294 PolarHBondContact OH-OH 3.41Å
236	P	95.7	Very high	96.4	Very high	88 Å²	88	49.7 Å²	49.7	57%	0.571	26%	0.256	S	S	*	.	S	Bend	trans	-63.3	-35	176.1	25	-33.9	0	0	0	112.1	A240	P236-A240 HydrophobicContact CG-CB 3.69Å
237	D	95.6	Very high	96.3	Very high	54 Å²	54	48.5 Å²	48.5	29%	0.289	25%	0.248	S	C	.	.	S	Bend	trans	-160.9	174.2	179.9	60.5	59.1	0	0	0	112	Y235 F239 A240 L241	Y235-D237 VanDerWaalsContact C-N 3.26Å; Y235-D237 PolarHBondContact O-N 3.32Å; D237-F239 HydrophobicContact CB-CD2 4.29Å; D237-F239 PolarHBondContact O-N 3.05Å; D237-F239 VanDerWaalsContact OD1-CA 3.29Å; D237-F239 WeakPolarHBondContact OD1-CA 3.09Å; D237-F239 WeakPolarHBondContact OD1-CB 3.49Å; D237-F239 WeakPolarHBondContact OD1-CD2 2.96Å; D237-F239 PolarHBondContact OD1-N 3.15Å; D237-A240 PolarHBondContact O-N 2.78Å; D237-A240 PolarHBondContact OD1-N 2.92Å; D237-L241 PolarHBondContact O-N 2.68Å
238	I	97.5	Very high	96.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-28.4	-179.2	-165.2	176.1	0	0	0	112.5	L184 M242 L266 A269 Y273 I290	L184-I238 HydrophobicContact CD1-CD1 3.63Å; L184-I238 HydrophobicContact CD1-CG1 3.58Å; I238-M242 HydrophobicContact CG1-CE 4.4Å; I238-M242 HydrophobicContact CG1-CG 4.44Å; I238-M242 HydrophobicContact CG1-SD 4.48Å; I238-M242 WeakPolarHBondContact O-CB 3.43Å; I238-M242 VanDerWaalsContact O-CG 3.29Å; I238-M242 WeakPolarHBondContact O-CG 3.49Å; I238-M242 PolarHBondContact O-N 3.21Å; I238-L266 HydrophobicContact CD1-CD1 4.2Å; I238-L266 HydrophobicContact CG2-CD1 4.13Å; I238-A269 HydrophobicContact CD1-CB 3.91Å; I238-Y273 HydrophobicContact CB-CD1 4.34Å; I238-Y273 HydrophobicContact CD1-CD1 4.03Å; I238-Y273 HydrophobicContact CG1-CD1 4.04Å; I238-Y273 HydrophobicContact CG1-CE1 4.43Å; I238-I290 HydrophobicContact CB-CD1 4.17Å; I238-I290 VanDerWaalsContact N-CD1 3.27Å
239	F	97	Very high	96.2	Very high	77 Å²	77	43 Å²	43	34%	0.338	22%	0.219	S	C	.	.	H	α-helix	trans	-73.6	-42.4	-177.5	-50.8	-84.3	0	0	0	110.5	D237 M242 N243 L266 F267	D237-F239 HydrophobicContact CB-CD2 4.29Å; D237-F239 PolarHBondContact O-N 3.05Å; D237-F239 VanDerWaalsContact OD1-CA 3.29Å; D237-F239 WeakPolarHBondContact OD1-CA 3.09Å; D237-F239 WeakPolarHBondContact OD1-CB 3.49Å; D237-F239 WeakPolarHBondContact OD1-CD2 2.96Å; D237-F239 PolarHBondContact OD1-N 3.15Å; F239-M242 HydrophobicContact CD1-CE 4.28Å; F239-M242 PolarHBondContact O-N 3.16Å; F239-N243 WeakPolarHBondContact O-CB 3.29Å; F239-N243 PolarHBondContact O-N 2.74Å; F239-L266 HydrophobicContact CD1-CD1 4.35Å; F239-L266 HydrophobicContact CD1-CD2 3.93Å; F239-L266 HydrophobicContact CD1-CG 4.26Å; F239-L266 HydrophobicContact CE1-CD1 3.99Å; F239-L266 HydrophobicContact CE1-CD2 3.51Å; F239-L266 HydrophobicContact CE1-CG 3.56Å; F239-L266 HydrophobicContact CZ-CG 4.26Å; F239-F267 HydrophobicContact CZ-CD1 4.24Å; F239-F267 HydrophobicContact CZ-CE1 4.12Å
240	A	96.6	Very high	96.1	Very high	27 Å²	27	42 Å²	42	22%	0.223	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-49.5	172.5	0	0	0	0	0	111.1	Y235 P236 D237 M242 N243 D244	Y235-A240 HydrophobicContact CD1-CB 4.23Å; P236-A240 HydrophobicContact CG-CB 3.69Å; D237-A240 PolarHBondContact O-N 2.78Å; D237-A240 PolarHBondContact OD1-N 2.92Å; A240-M242 PolarHBondContact O-N 2.7Å; A240-N243 WeakPolarHBondContact O-CB 3.3Å; A240-N243 PolarHBondContact O-N 3.24Å; A240-D244 PolarHBondContact O-N 3.36Å
241	L	97.1	Very high	96.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.9	-51.6	176.3	169.7	59.1	0	0	0	112.4	L181 L184 Y235 D237 N243 D244 L245 Y273 A292	L181-L241 HydrophobicContact CD2-CD1 4.3Å; L184-L241 HydrophobicContact CB-CD2 4.2Å; L184-L241 HydrophobicContact CD1-CD2 4.29Å; L184-L241 HydrophobicContact CD2-CD2 4.08Å; L184-L241 HydrophobicContact CD2-CG 4.47Å; L184-L241 HydrophobicContact CG-CD2 4.41Å; Y235-L241 HydrophobicContact CD1-CB 3.98Å; Y235-L241 HydrophobicContact CD2-CB 4.06Å; Y235-L241 HydrophobicContact CD2-CD1 3.91Å; Y235-L241 HydrophobicContact CD2-CG 4.45Å; Y235-L241 HydrophobicContact CE1-CB 4.3Å; Y235-L241 HydrophobicContact CE1-CD1 4.23Å; Y235-L241 HydrophobicContact CE2-CB 4.43Å; Y235-L241 HydrophobicContact CE2-CD1 3.52Å; Y235-L241 HydrophobicContact CE2-CG 4.49Å; Y235-L241 HydrophobicContact CG-CB 3.81Å; Y235-L241 HydrophobicContact CG-CD1 4.44Å; D237-L241 PolarHBondContact O-N 2.68Å; L241-N243 VanDerWaalsContact C-N 3.26Å; L241-N243 PolarHBondContact O-N 2.87Å; L241-D244 PolarHBondContact O-N 3.26Å; L241-L245 HydrophobicContact CD1-CD1 4.1Å; L241-L245 HydrophobicContact CD1-CG 4.15Å; L241-L245 HydrophobicContact CG-CD1 4.25Å; L241-L245 WeakPolarHBondContact O-CG 3.2Å; L241-L245 PolarHBondContact O-N 2.78Å; L241-Y273 HydrophobicContact CD2-CE1 4.01Å; L241-A292 HydrophobicContact CD1-CB 3.63Å; L241-A292 HydrophobicContact CD2-CB 3.89Å; L241-A292 HydrophobicContact CG-CB 4.41Å
242	M	97	Very high	96.1	Very high	47 Å²	47	39.4 Å²	39.4	23%	0.232	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-30.7	-179.7	-72.2	-171.4	-55.1	0	0	112.9	I238 F239 A240 R246 L261 L266	I238-M242 HydrophobicContact CG1-CE 4.4Å; I238-M242 HydrophobicContact CG1-CG 4.44Å; I238-M242 HydrophobicContact CG1-SD 4.48Å; I238-M242 WeakPolarHBondContact O-CB 3.43Å; I238-M242 VanDerWaalsContact O-CG 3.29Å; I238-M242 WeakPolarHBondContact O-CG 3.49Å; I238-M242 PolarHBondContact O-N 3.21Å; F239-M242 HydrophobicContact CD1-CE 4.28Å; F239-M242 PolarHBondContact O-N 3.16Å; A240-M242 PolarHBondContact O-N 2.7Å; M242-R246 WeakPolarHBondContact O-CB 3.21Å; M242-R246 PolarHBondContact O-N 2.81Å; M242-L261 HydrophobicContact SD-CD2 4.09Å; M242-L266 HydrophobicContact CE-CD1 3.25Å; M242-L266 HydrophobicContact CE-CD2 3.97Å; M242-L266 HydrophobicContact CE-CG 4.25Å; M242-L266 HydrophobicContact SD-CD1 4.07Å
243	N	95.7	Very high	96.1	Very high	59 Å²	59	36.3 Å²	36.3	32%	0.316	19%	0.186	S	C	.	.	H	α-helix	trans	-65.3	-44.3	174.9	-171.3	68.2	0	0	0	110.8	F239 A240 L241 R246 F247	F239-N243 WeakPolarHBondContact O-CB 3.29Å; F239-N243 PolarHBondContact O-N 2.74Å; A240-N243 WeakPolarHBondContact O-CB 3.3Å; A240-N243 PolarHBondContact O-N 3.24Å; L241-N243 VanDerWaalsContact C-N 3.26Å; L241-N243 PolarHBondContact O-N 2.87Å; N243-R246 WeakPolarHBondContact O-CB 3.45Å; N243-R246 PolarHBondContact O-N 3.49Å; N243-F247 WeakPolarHBondContact ND2-CD2 3.31Å; N243-F247 WeakPolarHBondContact ND2-CE2 3.3Å; N243-F247 WeakPolarHBondContact O-CD2 3.16Å; N243-F247 PolarHBondContact O-N 2.7Å; N243-F247 WeakPolarHBondContact OD1-CE2 3.25Å
244	D	96.8	Very high	96.1	Very high	26 Å²	26	35.3 Å²	35.3	14%	0.139	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-46.7	175.5	-82.1	26.1	0	0	0	111.5	Y54 Y56 Y235 A240 L241 R246 F247 M248	Y54-D244 HydrophobicContact CD1-CB 4.44Å; Y54-D244 VanDerWaalsContact CE1-OD1 3.32Å; Y54-D244 WeakPolarHBondContact CE1-OD1 3.39Å; Y56-D244 WeakPolarHBondContact CE1-OD2 3.48Å; Y56-D244 PolarHBondContact OH-OD2 3.35Å; Y235-D244 HydrophobicContact CE1-CB 3.9Å; A240-D244 PolarHBondContact O-N 3.36Å; L241-D244 PolarHBondContact O-N 3.26Å; D244-R246 PolarHBondContact O-N 2.93Å; D244-R246 VanDerWaalsContact O-N 3.14Å; D244-F247 PolarHBondContact O-N 2.63Å; D244-M248 HydrophobicContact CB-CE 4.13Å; D244-M248 VanDerWaalsContact O-CB 3.3Å; D244-M248 WeakPolarHBondContact O-CB 3.45Å; D244-M248 WeakPolarHBondContact O-CG 3.41Å; D244-M248 PolarHBondContact O-N 2.72Å
245	L	96.1	Very high	96	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.063	18%	0.179	C	C	.	.	H	α-helix	trans	-56.3	-34.3	173.9	-69.2	173.9	0	0	0	112.5	L181 L184 L241 G249 E250 S251 Y294	L181-L245 HydrophobicContact CD1-CD1 3.79Å; L181-L245 HydrophobicContact CD1-CD2 3.85Å; L181-L245 HydrophobicContact CD1-CG 4.5Å; L181-L245 HydrophobicContact CD2-CD1 4.45Å; L184-L245 HydrophobicContact CD2-CD1 3.79Å; L241-L245 HydrophobicContact CD1-CD1 4.1Å; L241-L245 HydrophobicContact CD1-CG 4.15Å; L241-L245 HydrophobicContact CG-CD1 4.25Å; L241-L245 WeakPolarHBondContact O-CG 3.2Å; L241-L245 PolarHBondContact O-N 2.78Å; L245-G249 PolarHBondContact O-N 3.11Å; L245-E250 HydrophobicContact CD2-CB 4.18Å; L245-E250 CarbonylContact O-C 3.37Å; L245-E250 PolarHBondContact O-N 2.86Å; L245-S251 PolarHBondContact O-N 3.26Å; L245-S251 VanDerWaalsContact O-N 3.13Å; L245-Y294 HydrophobicContact CD2-CE1 4.34Å
246	R	95.2	Very high	95.7	Very high	108 Å²	108	41.6 Å²	41.6	41%	0.408	22%	0.216	S	C	.	.	H	α-helix	trans	-68.9	-45.7	175.6	-173.7	-167.8	-168.2	-179.4	10.9	112.1	R44 M242 N243 D244 G249 S251	R44-R246 VanDerWaalsContact CZ-NH2 3.32Å; M242-R246 WeakPolarHBondContact O-CB 3.21Å; M242-R246 PolarHBondContact O-N 2.81Å; N243-R246 WeakPolarHBondContact O-CB 3.45Å; N243-R246 PolarHBondContact O-N 3.49Å; D244-R246 PolarHBondContact O-N 2.93Å; D244-R246 VanDerWaalsContact O-N 3.14Å; R246-G249 PolarHBondContact O-N 3.38Å; R246-G249 VanDerWaalsContact O-N 3.12Å; R246-S251 VanDerWaalsContact CA-OG 3.29Å; R246-S251 WeakPolarHBondContact CA-OG 3.31Å
247	F	95.8	Very high	95.6	Very high	28 Å²	28	39.5 Å²	39.5	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-82.1	-22.9	-176.5	-70.3	-59.6	0	0	0	113.8	S45 T48 Y54 N243 D244 G249	S45-F247 WeakPolarHBondContact CA-O 3.08Å; S45-F247 WeakPolarHBondContact CB-O 3.46Å; T48-F247 HydrophobicContact CG2-CD1 3.98Å; T48-F247 VanDerWaalsContact OG1-CD1 3.28Å; T48-F247 WeakPolarHBondContact OG1-CD1 3.16Å; T48-F247 WeakPolarHBondContact OG1-CE1 3.5Å; Y54-F247 HydrophobicContact CD1-CB 3.67Å; Y54-F247 HydrophobicContact CD1-CD2 4.49Å; Y54-F247 HydrophobicContact CD2-CB 3.5Å; Y54-F247 HydrophobicContact CD2-CG 4.22Å; Y54-F247 HydrophobicContact CE1-CB 3.83Å; Y54-F247 AromaticContact CE1-CD2 3.8Å; Y54-F247 HydrophobicContact CE1-CD2 3.8Å; Y54-F247 HydrophobicContact CE1-CG 4.18Å; Y54-F247 HydrophobicContact CE2-CB 3.65Å; Y54-F247 HydrophobicContact CE2-CD2 4.01Å; Y54-F247 AromaticContact CE2-CG 3.85Å; Y54-F247 HydrophobicContact CE2-CG 3.85Å; Y54-F247 HydrophobicContact CG-CB 3.5Å; Y54-F247 VanDerWaalsContact CG-CB 3.5Å; Y54-F247 AromaticContact CZ-CD2 3.51Å; Y54-F247 AromaticContact CZ-CG 3.83Å; N243-F247 WeakPolarHBondContact ND2-CD2 3.31Å; N243-F247 WeakPolarHBondContact ND2-CE2 3.3Å; N243-F247 WeakPolarHBondContact O-CD2 3.16Å; N243-F247 PolarHBondContact O-N 2.7Å; N243-F247 WeakPolarHBondContact OD1-CE2 3.25Å; D244-F247 PolarHBondContact O-N 2.63Å; F247-G249 PolarHBondContact O-N 3.12Å
248	M	94.3	Very high	95.4	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.03	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.3	161.4	-71	171.3	-176.3	0	0	111.7	Y54 Y56 I57 R58 D244 E250	Y54-M248 WeakPolarHBondContact O-CE 3.49Å; Y54-M248 WeakPolarHBondContact O-CG 3.33Å; Y56-M248 HydrophobicContact CD1-CE 4.24Å; Y56-M248 HydrophobicContact CD2-CE 4.49Å; Y56-M248 HydrophobicContact CE1-CE 3.46Å; Y56-M248 VanDerWaalsContact CE1-CE 3.46Å; Y56-M248 HydrophobicContact CE2-CE 3.75Å; Y56-M248 WeakPolarHBondContact OH-CE 3.41Å; I57-M248 HydrophobicContact CD1-CE 3.61Å; I57-M248 HydrophobicContact CD1-SD 3.89Å; I57-M248 HydrophobicContact CG1-CE 3.77Å; I57-M248 HydrophobicContact CG1-SD 4.44Å; R58-M248 VanDerWaalsContact CZ-O 3.27Å; R58-M248 PolarHBondContact NH1-O 3.3Å; R58-M248 PolarHBondContact NH2-O 3.48Å; D244-M248 HydrophobicContact CB-CE 4.13Å; D244-M248 VanDerWaalsContact O-CB 3.3Å; D244-M248 WeakPolarHBondContact O-CB 3.45Å; D244-M248 WeakPolarHBondContact O-CG 3.41Å; D244-M248 PolarHBondContact O-N 2.72Å; M248-E250 VanDerWaalsContact C-N 3.34Å; M248-E250 HydrophobicContact CB-CB 4.37Å; M248-E250 HydrophobicContact CB-CG 4.09Å
249	G	95.2	Very high	95	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.021	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	29.5	-171.6	0	0	0	0	0	112.1	K38 L245 R246 F247	K38-G249 VanDerWaalsContact CE-O 3.31Å; K38-G249 WeakPolarHBondContact CE-O 3.45Å; K38-G249 PolarHBondContact NZ-O 3.31Å; L245-G249 PolarHBondContact O-N 3.11Å; R246-G249 PolarHBondContact O-N 3.38Å; R246-G249 VanDerWaalsContact O-N 3.12Å; F247-G249 PolarHBondContact O-N 3.12Å
250	E	95.9	Very high	94.7	Very high	33 Å²	33	52.3 Å²	52.3	15%	0.154	25%	0.254	C	S	.	.			trans	-102.6	10	176.3	-68.5	-58.8	140.3	0	0	112.8	R58 H149 W150 L245 M248	R58-E250 IonicContact CZ-OE1 3.96Å; R58-E250 IonicContact NH2-OE1 4Å; R58-E250 PolarHBondContact NH2-OE1 3.06Å; H149-E250 IonicContact CE1-OE2 2.64Å; H149-E250 IonicContact NE2-OE2 3.96Å; H149-E250 PolarHBondContact NE2-OE2 3.34Å; W150-E250 VanDerWaalsContact CZ2-OE2 3.22Å; W150-E250 WeakPolarHBondContact CZ2-OE2 3.42Å; W150-E250 PolarHBondContact NE1-OE2 2.87Å; L245-E250 HydrophobicContact CD2-CB 4.18Å; L245-E250 CarbonylContact O-C 3.37Å; L245-E250 PolarHBondContact O-N 2.86Å; M248-E250 VanDerWaalsContact C-N 3.34Å; M248-E250 HydrophobicContact CB-CB 4.37Å; M248-E250 HydrophobicContact CB-CG 4.09Å
251	S	95.7	Very high	94.4	Very high	33 Å²	33	53.4 Å²	53.4	23%	0.231	26%	0.256	C	S	.	.	S	Bend	trans	-56.8	149.9	171.8	-67.1	0	0	0	0	112.3	Q41 W150 L245 R246 A253	Q41-S251 PolarHBondContact NE2-O 3.09Å; Q41-S251 PolarHBondContact OE1-O 3.06Å; Q41-S251 VanDerWaalsContact OE1-O 3.08Å; W150-S251 WeakPolarHBondContact CH2-O 3.27Å; L245-S251 PolarHBondContact O-N 3.26Å; L245-S251 VanDerWaalsContact O-N 3.13Å; R246-S251 VanDerWaalsContact CA-OG 3.29Å; R246-S251 WeakPolarHBondContact CA-OG 3.31Å; S251-A253 PolarHBondContact O-N 3.48Å
252	N	96.4	Very high	94.2	Very high	22 Å²	22	56.6 Å²	56.6	12%	0.118	27%	0.273	C	S	.	.			trans	-52.7	135.4	178.4	-179.8	17.6	0	0	0	112.8	Q41 S201 H202 S204 T254 R257	Q41-N252 PolarHBondContact NE2-O 3.15Å; Q41-N252 VanDerWaalsContact NE2-O 3.11Å; S201-N252 PolarHBondContact O-ND2 3.35Å; H202-N252 WeakPolarHBondContact O-CB 3.34Å; S204-N252 PolarHBondContact OG-OD1 3.13Å; N252-T254 PolarHBondContact ND2-OG1 2.8Å; N252-T254 WeakPolarHBondContact OD1-CG2 3.47Å; N252-T254 PolarHBondContact OD1-N 2.86Å; N252-T254 PolarHBondContact OD1-OG1 2.73Å; N252-T254 VanDerWaalsContact OD1-OG1 3.09Å; N252-R257 WeakPolarHBondContact ND2-CB 3.44Å; N252-R257 WeakPolarHBondContact O-CD 3.27Å
253	A	95.8	Very high	94.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.297	C	S	.	.			trans	-128.8	15.4	179.6	0	0	0	0	0	112.8	F33 D34 V37 K38 W150 S204 S251	F33-A253 CarbonylContact C-O 3.57Å; F33-A253 WeakPolarHBondContact CA-O 3.26Å; D34-A253 PolarHBondContact N-O 2.88Å; V37-A253 HydrophobicContact CG1-CB 4.45Å; K38-A253 HydrophobicContact CB-CB 4.42Å; K38-A253 HydrophobicContact CD-CB 4.4Å; W150-A253 HydrophobicContact CE3-CB 4.33Å; W150-A253 HydrophobicContact CH2-CB 4.41Å; W150-A253 HydrophobicContact CZ3-CB 3.73Å; S204-A253 PolarHBondContact OG-N 2.81Å; S251-A253 PolarHBondContact O-N 3.48Å
254	T	95.6	Very high	94.2	Very high	12 Å²	12	65.8 Å²	65.8	7%	0.074	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-60.9	144	177.7	57.5	0	0	0	0	111.8	V32 F33 S201 P205 N252 H256 R257	V32-T254 HydrophobicContact CG1-CG2 4.43Å; V32-T254 CarbonylContact O-C 3.56Å; V32-T254 VanDerWaalsContact O-CA 3.23Å; V32-T254 WeakPolarHBondContact O-CA 3.41Å; F33-T254 HydrophobicContact CD1-CG2 4.21Å; F33-T254 HydrophobicContact CE1-CG2 4.07Å; S201-T254 PolarHBondContact OG-OG1 3.43Å; P205-T254 HydrophobicContact CG-CG2 4.3Å; N252-T254 PolarHBondContact ND2-OG1 2.8Å; N252-T254 WeakPolarHBondContact OD1-CG2 3.47Å; N252-T254 PolarHBondContact OD1-N 2.86Å; N252-T254 PolarHBondContact OD1-OG1 2.73Å; N252-T254 VanDerWaalsContact OD1-OG1 3.09Å; T254-H256 VanDerWaalsContact C-N 3.3Å; T254-H256 PolarHBondContact O-N 3.12Å; T254-R257 WeakPolarHBondContact O-CB 3.32Å; T254-R257 VanDerWaalsContact O-CD 3.28Å; T254-R257 WeakPolarHBondContact O-CD 3.38Å; T254-R257 WeakPolarHBondContact O-CG 3.29Å; T254-R257 PolarHBondContact O-N 3.01Å; T254-R257 PolarHBondContact O-NH1 2.68Å; T254-R257 WeakPolarHBondContact OG1-CB 3.46Å
255	V	94.4	Very high	94.2	Very high	63 Å²	63	64.6 Å²	64.6	38%	0.382	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-39.6	-175.8	174.3	0	0	0	0	111.9	V31 V32 D34	V31-V255 HydrophobicContact CG1-CG2 3.84Å; V32-V255 PolarHBondContact O-N 3.01Å; D34-V255 HydrophobicContact CB-CG2 4.42Å
256	H	90.9	Very high	94.3	Very high	176 Å²	176	65.3 Å²	65.3	82%	0.815	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	19.4	-177.2	-61.4	-63.8	0	0	0	114	T254	T254-H256 VanDerWaalsContact C-N 3.3Å; T254-H256 PolarHBondContact O-N 3.12Å
257	R	92.5	Very high	94.4	Very high	43 Å²	43	66.4 Å²	66.4	16%	0.162	31%	0.314	C	S	.	.			trans	-66.2	151.8	177	70.9	-167.1	-178.4	-73.3	-14.2	112.3	D34 V37 N252 T254 L259	D34-R257 IonicContact OD2-NH1 3.34Å; V37-R257 VanDerWaalsContact CG2-NH2 3.28Å; N252-R257 WeakPolarHBondContact ND2-CB 3.44Å; N252-R257 WeakPolarHBondContact O-CD 3.27Å; T254-R257 WeakPolarHBondContact O-CB 3.32Å; T254-R257 VanDerWaalsContact O-CD 3.28Å; T254-R257 WeakPolarHBondContact O-CD 3.38Å; T254-R257 WeakPolarHBondContact O-CG 3.29Å; T254-R257 PolarHBondContact O-N 3.01Å; T254-R257 PolarHBondContact O-NH1 2.68Å; T254-R257 WeakPolarHBondContact OG1-CB 3.46Å; R257-L259 PolarHBondContact O-N 3.33Å
258	P	91.6	Very high	94.5	Very high	42 Å²	42	65.5 Å²	65.5	27%	0.273	31%	0.311	S	S	.	.			trans	-63.3	136.5	164.4	30.3	-34.9	0	0	0	109.9	S200 S201 H202 R260	S200-P258 WeakPolarHBondContact OG-CG 3.44Å; S201-P258 VanDerWaalsContact O-CD 3.29Å; S201-P258 WeakPolarHBondContact O-CD 3.35Å; H202-P258 WeakPolarHBondContact CE1-CG 3.4Å; P258-R260 PolarHBondContact O-N 2.67Å
259	L	89.1	Confident	94.7	Very high	148 Å²	148	65.2 Å²	65.2	78%	0.775	31%	0.31	S	S	*	.	S	Bend	trans	-75	-13.3	179.5	-63.2	179.6	0	0	0	113.2	R257	R257-L259 PolarHBondContact O-N 3.33Å
260	R	90.2	Very high	94.9	Very high	211 Å²	211	66 Å²	66	80%	0.796	32%	0.315	S	S	*	.	S	Bend	trans	-145.3	138.5	-178	-51.2	-170.7	-60.4	-90.1	2.3	108.6	P258	P258-R260 PolarHBondContact O-N 2.67Å
261	L	90.7	Very high	95	Very high	50 Å²	50	67.3 Å²	67.3	26%	0.262	33%	0.331	S	S	.	.			trans	-86.1	124.6	165.5	-178.1	62.2	0	0	0	108.5	L188 H202 M242 V265 L266	L188-L261 HydrophobicContact CD2-CD1 3.95Å; L188-L261 HydrophobicContact CD2-CD2 3.95Å; H202-L261 WeakPolarHBondContact CE1-CD1 3.26Å; M242-L261 HydrophobicContact SD-CD2 4.09Å; L261-V265 HydrophobicContact CD1-CB 4.33Å; L261-V265 HydrophobicContact CD1-CG1 3.76Å; L261-L266 HydrophobicContact CD2-CB 3.95Å; L261-L266 HydrophobicContact CD2-CD1 3.83Å; L261-L266 HydrophobicContact CD2-CD2 4.31Å; L261-L266 HydrophobicContact CD2-CG 4.24Å; L261-L266 HydrophobicContact CG-CB 4.18Å
262	N	92.9	Very high	95.1	Very high	67 Å²	67	66.6 Å²	66.6	36%	0.358	33%	0.325	S	S	.	.			trans	-63.6	136.5	177.2	-175.4	-22	0	0	0	109.3	D264 V265 L266	N262-D264 VanDerWaalsContact C-N 3.29Å; N262-D264 PolarHBondContact O-N 2.96Å; N262-D264 PolarHBondContact OD1-N 3.34Å; N262-V265 HydrophobicContact CB-CB 4.14Å; N262-V265 HydrophobicContact CB-CG2 3.88Å; N262-V265 WeakPolarHBondContact O-CB 3.33Å; N262-V265 PolarHBondContact O-N 3.27Å; N262-L266 PolarHBondContact O-N 2.94Å
263	R	96	Very high	95.2	Very high	198 Å²	198	65.5 Å²	65.5	75%	0.747	32%	0.319	S	S	*	.	H	α-helix	trans	-58.6	-40.4	178.6	-70.6	-176.1	174.8	-171.4	-2.6	112.1	V265 L266 F267	R263-V265 VanDerWaalsContact C-N 3.33Å; R263-V265 PolarHBondContact O-N 2.78Å; R263-L266 PolarHBondContact O-N 3.24Å; R263-L266 VanDerWaalsContact O-N 3.16Å; R263-F267 HydrophobicContact CB-CE2 4.46Å; R263-F267 WeakPolarHBondContact O-CD2 3.42Å; R263-F267 PolarHBondContact O-N 3.35Å
264	D	96.6	Very high	95.3	Very high	102 Å²	102	68.4 Å²	68.4	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-66.3	-39.1	-179.8	-63.4	-17.8	0	0	0	111.3	N262 L266 A268	N262-D264 VanDerWaalsContact C-N 3.29Å; N262-D264 PolarHBondContact O-N 2.96Å; N262-D264 PolarHBondContact OD1-N 3.34Å; D264-L266 VanDerWaalsContact C-N 3.35Å; D264-A268 WeakPolarHBondContact O-CB 3.19Å; D264-A268 PolarHBondContact O-N 3.25Å
265	V	97.4	Very high	95.4	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63.3	-43.9	172.5	171.8	0	0	0	0	110.2	A191 E192 R195 L196 L261 N262 R263 A268 A269	A191-V265 HydrophobicContact CB-CG1 4.02Å; A191-V265 WeakPolarHBondContact CB-O 3.49Å; E192-V265 HydrophobicContact CB-CG1 4.46Å; E192-V265 HydrophobicContact CG-CB 4.37Å; E192-V265 HydrophobicContact CG-CG1 3.39Å; E192-V265 HydrophobicContact CG-CG2 4.02Å; R195-V265 HydrophobicContact CB-CG2 4.03Å; L196-V265 HydrophobicContact CD1-CG2 3.77Å; L196-V265 HydrophobicContact CG-CG2 3.92Å; L261-V265 HydrophobicContact CD1-CB 4.33Å; L261-V265 HydrophobicContact CD1-CG1 3.76Å; N262-V265 HydrophobicContact CB-CB 4.14Å; N262-V265 HydrophobicContact CB-CG2 3.88Å; N262-V265 WeakPolarHBondContact O-CB 3.33Å; N262-V265 PolarHBondContact O-N 3.27Å; R263-V265 VanDerWaalsContact C-N 3.33Å; R263-V265 PolarHBondContact O-N 2.78Å; V265-A268 PolarHBondContact O-N 2.8Å; V265-A269 VanDerWaalsContact O-CB 3.26Å; V265-A269 WeakPolarHBondContact O-CB 3.46Å; V265-A269 PolarHBondContact O-N 3.43Å
266	L	97.1	Very high	95.6	Very high	28 Å²	28	77.4 Å²	77.4	15%	0.147	37%	0.37	C	S	.	.	H	α-helix	trans	-63.7	-43.2	-179.1	177.6	52.9	0	0	0	112.3	I238 F239 M242 L261 N262 R263 D264 A269 S270	I238-L266 HydrophobicContact CD1-CD1 4.2Å; I238-L266 HydrophobicContact CG2-CD1 4.13Å; F239-L266 HydrophobicContact CD1-CD1 4.35Å; F239-L266 HydrophobicContact CD1-CD2 3.93Å; F239-L266 HydrophobicContact CD1-CG 4.26Å; F239-L266 HydrophobicContact CE1-CD1 3.99Å; F239-L266 HydrophobicContact CE1-CD2 3.51Å; F239-L266 HydrophobicContact CE1-CG 3.56Å; F239-L266 HydrophobicContact CZ-CG 4.26Å; M242-L266 HydrophobicContact CE-CD1 3.25Å; M242-L266 HydrophobicContact CE-CD2 3.97Å; M242-L266 HydrophobicContact CE-CG 4.25Å; M242-L266 HydrophobicContact SD-CD1 4.07Å; L261-L266 HydrophobicContact CD2-CB 3.95Å; L261-L266 HydrophobicContact CD2-CD1 3.83Å; L261-L266 HydrophobicContact CD2-CD2 4.31Å; L261-L266 HydrophobicContact CD2-CG 4.24Å; L261-L266 HydrophobicContact CG-CB 4.18Å; N262-L266 PolarHBondContact O-N 2.94Å; R263-L266 PolarHBondContact O-N 3.24Å; R263-L266 VanDerWaalsContact O-N 3.16Å; D264-L266 VanDerWaalsContact C-N 3.35Å; L266-A269 PolarHBondContact O-N 3.23Å; L266-S270 PolarHBondContact O-N 3.28Å
267	F	98	Very high	95.9	Very high	131 Å²	131	71 Å²	71	58%	0.575	34%	0.339	S	S	*	.	H	α-helix	trans	-66.1	-41.5	175.4	-74.2	-63.3	0	0	0	112.3	F239 R263 S270 A271	F239-F267 HydrophobicContact CZ-CD1 4.24Å; F239-F267 HydrophobicContact CZ-CE1 4.12Å; R263-F267 HydrophobicContact CB-CE2 4.46Å; R263-F267 WeakPolarHBondContact O-CD2 3.42Å; R263-F267 PolarHBondContact O-N 3.35Å; F267-S270 WeakPolarHBondContact O-CB 3.45Å; F267-S270 PolarHBondContact O-N 3.14Å; F267-A271 PolarHBondContact O-N 3.48Å; F267-A271 VanDerWaalsContact O-N 3.1Å
268	A	98.4	Very high	96.1	Very high	9 Å²	9	69.7 Å²	69.7	7%	0.074	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-43	174.4	0	0	0	0	0	111.6	A191 R195 D264 V265 S270 A271 I272	A191-A268 HydrophobicContact CB-CB 3.82Å; R195-A268 HydrophobicContact CG-CB 4.08Å; D264-A268 WeakPolarHBondContact O-CB 3.19Å; D264-A268 PolarHBondContact O-N 3.25Å; V265-A268 PolarHBondContact O-N 2.8Å; A268-S270 VanDerWaalsContact C-N 3.33Å; A268-S270 PolarHBondContact O-N 2.98Å; A268-A271 PolarHBondContact O-N 2.96Å; A268-I272 VanDerWaalsContact O-CG1 3.3Å; A268-I272 WeakPolarHBondContact O-CG1 3.29Å; A268-I272 PolarHBondContact O-N 2.96Å
269	A	98.4	Very high	96.2	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-41.3	176.5	0	0	0	0	0	111.4	L188 A191 I238 V265 L266 A271 I272 Y273	L188-A269 HydrophobicContact CD2-CB 3.78Å; L188-A269 HydrophobicContact CG-CB 4.34Å; A191-A269 HydrophobicContact CB-CB 3.73Å; I238-A269 HydrophobicContact CD1-CB 3.91Å; V265-A269 VanDerWaalsContact O-CB 3.26Å; V265-A269 WeakPolarHBondContact O-CB 3.46Å; V265-A269 PolarHBondContact O-N 3.43Å; L266-A269 PolarHBondContact O-N 3.23Å; A269-A271 VanDerWaalsContact C-N 3.33Å; A269-A271 PolarHBondContact O-N 3.31Å; A269-I272 PolarHBondContact O-N 3.43Å; A269-Y273 VanDerWaalsContact O-CB 3.27Å; A269-Y273 WeakPolarHBondContact O-CB 3.4Å; A269-Y273 PolarHBondContact O-N 3.44Å
270	S	98.4	Very high	96.4	Very high	17 Å²	17	67 Å²	67	12%	0.119	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-43.5	174.5	-169.9	0	0	0	0	112.2	L266 F267 A268 N274	L266-S270 PolarHBondContact O-N 3.28Å; F267-S270 WeakPolarHBondContact O-CB 3.45Å; F267-S270 PolarHBondContact O-N 3.14Å; A268-S270 VanDerWaalsContact C-N 3.33Å; A268-S270 PolarHBondContact O-N 2.98Å; S270-N274 WeakPolarHBondContact O-CB 3.26Å; S270-N274 PolarHBondContact O-N 3.3Å; S270-N274 VanDerWaalsContact O-N 3.15Å; S270-N274 PolarHBondContact O-ND2 3.35Å
271	A	98.3	Very high	96.4	Very high	61 Å²	61	62.5 Å²	62.5	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-45.7	178.7	0	0	0	0	0	111.5	F267 A268 A269 N274 E275	F267-A271 PolarHBondContact O-N 3.48Å; F267-A271 VanDerWaalsContact O-N 3.1Å; A268-A271 PolarHBondContact O-N 2.96Å; A269-A271 VanDerWaalsContact C-N 3.33Å; A269-A271 PolarHBondContact O-N 3.31Å; A271-N274 PolarHBondContact O-N 3.48Å; A271-E275 WeakPolarHBondContact O-CB 3.48Å; A271-E275 PolarHBondContact O-N 3.09Å
272	I	98.5	Very high	96.1	Very high	18 Å²	18	69.3 Å²	69.3	9%	0.092	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-43.2	178.5	-68.2	166.9	0	0	0	111.3	L190 A191 A268 A269 E275 K276	L190-I272 HydrophobicContact CB-CD1 3.88Å; L190-I272 HydrophobicContact CB-CG2 4.33Å; L190-I272 HydrophobicContact CD1-CG2 3.97Å; A191-I272 HydrophobicContact CB-CD1 4.04Å; A268-I272 VanDerWaalsContact O-CG1 3.3Å; A268-I272 WeakPolarHBondContact O-CG1 3.29Å; A268-I272 PolarHBondContact O-N 2.96Å; A269-I272 PolarHBondContact O-N 3.43Å; I272-E275 PolarHBondContact O-N 3.35Å; I272-K276 HydrophobicContact CG2-CD 3.86Å; I272-K276 HydrophobicContact CG2-CG 4.32Å; I272-K276 WeakPolarHBondContact O-CB 3.39Å; I272-K276 WeakPolarHBondContact O-CG 3.41Å; I272-K276 PolarHBondContact O-N 2.75Å
273	Y	98.6	Very high	95.9	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-47.9	179.1	-152.8	150.3	0	0	0	110.3	E183 L184 S187 I238 L241 A269 E275 K276 F277 S278 I290 P291	E183-Y273 HydrophobicContact CB-CD2 4.32Å; E183-Y273 HydrophobicContact CB-CE2 3.37Å; E183-Y273 WeakPolarHBondContact CB-OH 3.38Å; E183-Y273 HydrophobicContact CG-CE2 4.35Å; L184-Y273 VanDerWaalsContact CA-CE1 3.49Å; L184-Y273 HydrophobicContact CB-CE1 3.82Å; L184-Y273 HydrophobicContact CD1-CD1 4.31Å; L184-Y273 HydrophobicContact CD1-CE1 3.91Å; L184-Y273 HydrophobicContact CG-CE1 4.49Å; S187-Y273 VanDerWaalsContact OG-CA 3.31Å; S187-Y273 WeakPolarHBondContact OG-CA 3.31Å; S187-Y273 WeakPolarHBondContact OG-CB 3.34Å; I238-Y273 HydrophobicContact CB-CD1 4.34Å; I238-Y273 HydrophobicContact CD1-CD1 4.03Å; I238-Y273 HydrophobicContact CG1-CD1 4.04Å; I238-Y273 HydrophobicContact CG1-CE1 4.43Å; L241-Y273 HydrophobicContact CD2-CE1 4.01Å; A269-Y273 VanDerWaalsContact O-CB 3.27Å; A269-Y273 WeakPolarHBondContact O-CB 3.4Å; A269-Y273 PolarHBondContact O-N 3.44Å; Y273-E275 PolarHBondContact O-N 3.42Å; Y273-K276 PolarHBondContact O-N 2.88Å; Y273-F277 HydrophobicContact CD2-CB 3.9Å; Y273-F277 AromaticContact CD2-CD2 3.72Å; Y273-F277 HydrophobicContact CD2-CD2 3.72Å; Y273-F277 HydrophobicContact CD2-CG 4.25Å; Y273-F277 HydrophobicContact CE2-CB 3.99Å; Y273-F277 HydrophobicContact CE2-CD2 4.05Å; Y273-F277 HydrophobicContact CE2-CG 4.34Å; Y273-F277 PolarHBondContact O-N 2.55Å; Y273-S278 PolarHBondContact O-N 3.41Å; Y273-I290 HydrophobicContact CD1-CD1 3.81Å; Y273-I290 HydrophobicContact CD2-CB 3.83Å; Y273-I290 HydrophobicContact CD2-CD1 4.2Å; Y273-I290 HydrophobicContact CD2-CG2 3.81Å; Y273-I290 HydrophobicContact CE1-CD1 3.7Å; Y273-I290 HydrophobicContact CE2-CB 3.72Å; Y273-I290 HydrophobicContact CE2-CD1 4.12Å; Y273-I290 HydrophobicContact CE2-CG1 4.41Å; Y273-I290 HydrophobicContact CE2-CG2 4.25Å; Y273-I290 HydrophobicContact CG-CB 4.45Å; Y273-I290 HydrophobicContact CG-CD1 4.06Å; Y273-I290 HydrophobicContact CG-CG2 4.24Å; Y273-P291 WeakPolarHBondContact CE2-O 3.41Å; Y273-P291 PolarHBondContact OH-O 3.05Å
274	N	97.9	Very high	95.5	Very high	61 Å²	61	64.4 Å²	64.4	33%	0.326	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-46.1	176.7	-79.6	-30.5	0	0	0	112.1	S270 A271 S278 I290	S270-N274 WeakPolarHBondContact O-CB 3.26Å; S270-N274 PolarHBondContact O-N 3.3Å; S270-N274 VanDerWaalsContact O-N 3.15Å; S270-N274 PolarHBondContact O-ND2 3.35Å; A271-N274 PolarHBondContact O-N 3.48Å; N274-S278 WeakPolarHBondContact O-CB 3.39Å; N274-S278 PolarHBondContact O-N 3Å; N274-S278 PolarHBondContact O-OG 3.28Å; N274-I290 VanDerWaalsContact OD1-CG2 3.25Å; N274-I290 WeakPolarHBondContact OD1-CG2 3.31Å
275	E	97.8	Very high	94.8	Very high	154 Å²	154	68 Å²	68	72%	0.72	36%	0.36	S	S	*	.	H	α-helix	trans	-62.7	-45.4	179.3	-170.1	-153	170	0	0	112.1	A271 I272 Y273	A271-E275 WeakPolarHBondContact O-CB 3.48Å; A271-E275 PolarHBondContact O-N 3.09Å; I272-E275 PolarHBondContact O-N 3.35Å; Y273-E275 PolarHBondContact O-N 3.42Å
276	K	97.9	Very high	94.4	Very high	109 Å²	109	76 Å²	76	47%	0.474	40%	0.403	S	S	.	.	H	α-helix	trans	-84.3	-37.4	-170.1	-72.9	-170.8	174.1	-62.2	0	114.7	L190 I272 Y273	L190-K276 HydrophobicContact CD1-CD 4.03Å; I272-K276 HydrophobicContact CG2-CD 3.86Å; I272-K276 HydrophobicContact CG2-CG 4.32Å; I272-K276 WeakPolarHBondContact O-CB 3.39Å; I272-K276 WeakPolarHBondContact O-CG 3.41Å; I272-K276 PolarHBondContact O-N 2.75Å; Y273-K276 PolarHBondContact O-N 2.88Å
277	F	98.1	Very high	94	Very high	41 Å²	41	79.2 Å²	79.2	18%	0.18	42%	0.417	C	S	.	.	H	α-helix	trans	-127.4	-9.6	-165.5	-54.5	-73.1	0	0	0	114.1	Y182 E183 V186 Y273 V279 P291	Y182-F277 AromaticContact CE2-CE1 3.93Å; Y182-F277 HydrophobicContact CE2-CE1 3.93Å; Y182-F277 HydrophobicContact CE2-CZ 4.46Å; E183-F277 HydrophobicContact CB-CB 4.48Å; E183-F277 HydrophobicContact CB-CD1 4.25Å; E183-F277 HydrophobicContact CB-CD2 3.83Å; E183-F277 HydrophobicContact CB-CE1 4.44Å; E183-F277 HydrophobicContact CB-CE2 4.04Å; E183-F277 HydrophobicContact CB-CG 3.94Å; E183-F277 HydrophobicContact CB-CZ 4.34Å; E183-F277 HydrophobicContact CG-CB 4.41Å; E183-F277 HydrophobicContact CG-CD1 3.85Å; E183-F277 HydrophobicContact CG-CD2 4.33Å; E183-F277 HydrophobicContact CG-CE1 4.14Å; E183-F277 HydrophobicContact CG-CG 3.96Å; E183-F277 HydrophobicContact CG-CZ 4.49Å; V186-F277 HydrophobicContact CB-CE2 4.4Å; V186-F277 HydrophobicContact CB-CZ 4.28Å; V186-F277 HydrophobicContact CG1-CE2 4.32Å; V186-F277 HydrophobicContact CG1-CZ 4.16Å; Y273-F277 HydrophobicContact CD2-CB 3.9Å; Y273-F277 AromaticContact CD2-CD2 3.72Å; Y273-F277 HydrophobicContact CD2-CD2 3.72Å; Y273-F277 HydrophobicContact CD2-CG 4.25Å; Y273-F277 HydrophobicContact CE2-CB 3.99Å; Y273-F277 HydrophobicContact CE2-CD2 4.05Å; Y273-F277 HydrophobicContact CE2-CG 4.34Å; Y273-F277 PolarHBondContact O-N 2.55Å; F277-V279 PolarHBondContact O-N 3.06Å; F277-P291 HydrophobicContact CB-CG 4.12Å; F277-P291 WeakPolarHBondContact O-CD 3.48Å; F277-P291 WeakPolarHBondContact O-CG 3.49Å
278	S	95.9	Very high	93.7	Very high	16 Å²	16	80.1 Å²	80.1	11%	0.112	42%	0.417	C	S	.	.			trans	-61.7	142.9	-178.1	67.2	0	0	0	0	111.6	Y273 N274 R288 C289	Y273-S278 PolarHBondContact O-N 3.41Å; N274-S278 WeakPolarHBondContact O-CB 3.39Å; N274-S278 PolarHBondContact O-N 3Å; N274-S278 PolarHBondContact O-OG 3.28Å; S278-R288 PolarHBondContact O-NH2 3.39Å; S278-R288 PolarHBondContact OG-NE 3.45Å; S278-R288 PolarHBondContact OG-NH2 3Å; S278-C289 CarbonylContact C-O 3.59Å; S278-C289 WeakPolarHBondContact CA-O 3.41Å; S278-C289 WeakPolarHBondContact CB-O 3.31Å
279	V	94.2	Very high	93.6	Very high	53 Å²	53	80 Å²	80	32%	0.321	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.2	178.1	-66	0	0	0	0	109.7	F277 R288 C289	F277-V279 PolarHBondContact O-N 3.06Å; V279-R288 WeakPolarHBondContact O-CA 3.16Å; V279-C289 PolarHBondContact N-O 2.76Å; V279-C289 PolarHBondContact O-N 3.44Å
280	P	93	Very high	93.6	Very high	80 Å²	80	80 Å²	80	52%	0.519	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	138.8	170	-19.8	32.6	0	0	0	110.6
281	R	89.6	Confident	93.5	Very high	118 Å²	118	79.8 Å²	79.8	45%	0.445	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.9	176.8	-175.8	175.4	177	-171.3	-0.3	110.1	G283 E284 E287	R281-G283 PolarHBondContact O-N 3.42Å; R281-E284 HydrophobicContact CB-CB 4.31Å; R281-E284 WeakPolarHBondContact CD-OE2 3.31Å; R281-E284 HydrophobicContact CG-CB 4.44Å; R281-E284 IonicContact CZ-OE2 2.7Å; R281-E284 IonicContact NE-OE2 2.81Å; R281-E284 PolarHBondContact NE-OE2 3.02Å; R281-E284 IonicContact NH1-OE2 2.94Å; R281-E284 PolarHBondContact NH1-OE2 3.18Å; R281-E284 CarbonylContact O-C 3.53Å; R281-E284 PolarHBondContact O-N 3.07Å; R281-E287 HydrophobicContact CB-CB 4.19Å; R281-E287 PolarHBondContact N-O 3.06Å; R281-E287 IonicContact NH1-OE2 3.14Å; R281-E287 PolarHBondContact NH1-OE2 3.26Å; R281-E287 VanDerWaalsContact NH1-OE2 3.14Å
282	E	84.7	Confident	93.5	Very high	192 Å²	192	76.9 Å²	76.9	90%	0.897	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	127.3	178.5	-169.1	175.4	-174.4	0	0	110.8	E284	E282-E284 VanDerWaalsContact C-N 3.26Å; E282-E284 PolarHBondContact O-N 3.14Å
283	G	88.8	Confident	93.5	Very high	83 Å²	83	76.5 Å²	76.5	86%	0.856	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-10.9	-175.9	0	0	0	0	0	115.6	R281	R281-G283 PolarHBondContact O-N 3.42Å
284	E	87.7	Confident	93.4	Very high	80 Å²	80	77 Å²	77	37%	0.374	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	75.6	-176.1	-69.3	177.6	-178.9	0	0	110.7	R281 E282 N286 E287	R281-E284 HydrophobicContact CB-CB 4.31Å; R281-E284 WeakPolarHBondContact CD-OE2 3.31Å; R281-E284 HydrophobicContact CG-CB 4.44Å; R281-E284 IonicContact CZ-OE2 2.7Å; R281-E284 IonicContact NE-OE2 2.81Å; R281-E284 PolarHBondContact NE-OE2 3.02Å; R281-E284 IonicContact NH1-OE2 2.94Å; R281-E284 PolarHBondContact NH1-OE2 3.18Å; R281-E284 CarbonylContact O-C 3.53Å; R281-E284 PolarHBondContact O-N 3.07Å; E282-E284 VanDerWaalsContact C-N 3.26Å; E282-E284 PolarHBondContact O-N 3.14Å; E284-N286 PolarHBondContact O-N 2.96Å; E284-E287 HydrophobicContact CB-CB 4.21Å; E284-E287 HydrophobicContact CB-CG 4.35Å; E284-E287 PolarHBondContact O-N 2.99Å
285	E	81.7	Confident	93.4	Very high	178 Å²	178	77.3 Å²	77.3	83%	0.832	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	-24.2	-172.2	-64.6	-175.9	172.6	0	0	115.3
286	N	89.1	Confident	93.4	Very high	166 Å²	166	70 Å²	70	89%	0.888	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	-9.8	179.6	-68.3	-36.6	0	0	0	113.7	E284	E284-N286 PolarHBondContact O-N 2.96Å
287	E	90.1	Very high	93.4	Very high	96 Å²	96	64.8 Å²	64.8	45%	0.449	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.7	176.8	-63.4	-163.3	-177.5	0	0	110.1	R281 E284	R281-E287 HydrophobicContact CB-CB 4.19Å; R281-E287 PolarHBondContact N-O 3.06Å; R281-E287 IonicContact NH1-OE2 3.14Å; R281-E287 PolarHBondContact NH1-OE2 3.26Å; R281-E287 VanDerWaalsContact NH1-OE2 3.14Å; E284-E287 HydrophobicContact CB-CB 4.21Å; E284-E287 HydrophobicContact CB-CG 4.35Å; E284-E287 PolarHBondContact O-N 2.99Å
288	R	91.9	Very high	93.5	Very high	150 Å²	150	63 Å²	63	57%	0.566	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	144.1	174.9	-63.1	-173.1	74.6	100.1	-1.3	109.6	S278 V279	S278-R288 PolarHBondContact O-NH2 3.39Å; S278-R288 PolarHBondContact OG-NE 3.45Å; S278-R288 PolarHBondContact OG-NH2 3Å; V279-R288 WeakPolarHBondContact O-CA 3.16Å
289	C	95.7	Very high	93.6	Very high	6 Å²	6	62.4 Å²	62.4	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	163.6	175.9	56.2	0	0	0	0	109.8	H234 Y235 S278 V279	H234-C289 HydrophobicContact CB-CB 4.13Å; Y235-C289 CarbonylContact O-C 3.53Å; Y235-C289 WeakPolarHBondContact O-CA 3.41Å; Y235-C289 VanDerWaalsContact O-CB 3.28Å; Y235-C289 WeakPolarHBondContact O-CB 3.34Å; S278-C289 CarbonylContact C-O 3.59Å; S278-C289 WeakPolarHBondContact CA-O 3.41Å; S278-C289 WeakPolarHBondContact CB-O 3.31Å; V279-C289 PolarHBondContact N-O 2.76Å; V279-C289 PolarHBondContact O-N 3.44Å
290	I	97.2	Very high	93.8	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.7	174.3	58.6	166.8	0	0	0	110.4	H234 Y235 I238 Y273 N274	H234-I290 WeakPolarHBondContact CA-O 3.35Å; Y235-I290 PolarHBondContact N-O 3.42Å; Y235-I290 WeakPolarHBondContact O-CG1 3.31Å; Y235-I290 PolarHBondContact O-N 3.04Å; I238-I290 HydrophobicContact CB-CD1 4.17Å; I238-I290 VanDerWaalsContact N-CD1 3.27Å; Y273-I290 HydrophobicContact CD1-CD1 3.81Å; Y273-I290 HydrophobicContact CD2-CB 3.83Å; Y273-I290 HydrophobicContact CD2-CD1 4.2Å; Y273-I290 HydrophobicContact CD2-CG2 3.81Å; Y273-I290 HydrophobicContact CE1-CD1 3.7Å; Y273-I290 HydrophobicContact CE2-CB 3.72Å; Y273-I290 HydrophobicContact CE2-CD1 4.12Å; Y273-I290 HydrophobicContact CE2-CG1 4.41Å; Y273-I290 HydrophobicContact CE2-CG2 4.25Å; Y273-I290 HydrophobicContact CG-CB 4.45Å; Y273-I290 HydrophobicContact CG-CD1 4.06Å; Y273-I290 HydrophobicContact CG-CG2 4.24Å; N274-I290 VanDerWaalsContact OD1-CG2 3.25Å; N274-I290 WeakPolarHBondContact OD1-CG2 3.31Å
291	P	97.7	Very high	94	Very high	13 Å²	13	57.3 Å²	57.3	8%	0.084	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141	175.7	31.9	-33.6	0	0	0	110.7	E183 V232 Y273 F277	E183-P291 HydrophobicContact CG-CG 4.4Å; V232-P291 HydrophobicContact CG1-CB 3.63Å; Y273-P291 WeakPolarHBondContact CE2-O 3.41Å; Y273-P291 PolarHBondContact OH-O 3.05Å; F277-P291 HydrophobicContact CB-CG 4.12Å; F277-P291 WeakPolarHBondContact O-CD 3.48Å; F277-P291 WeakPolarHBondContact O-CG 3.49Å
292	A	97.7	Very high	94.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	110.2	164.8	0	0	0	0	0	108.5	L181 I233 Y235 L241 Y294	L181-A292 HydrophobicContact CD2-CB 4.03Å; I233-A292 PolarHBondContact N-O 2.57Å; I233-A292 PolarHBondContact O-N 3Å; Y235-A292 HydrophobicContact CD2-CB 3.96Å; Y235-A292 HydrophobicContact CE2-CB 3.74Å; L241-A292 HydrophobicContact CD1-CB 3.63Å; L241-A292 HydrophobicContact CD2-CB 3.89Å; L241-A292 HydrophobicContact CG-CB 4.41Å; A292-Y294 HydrophobicContact CB-CE2 4.05Å; A292-Y294 WeakPolarHBondContact O-CD2 3.07Å
293	T	98	Very high	95.1	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.7	-178.7	-63.2	0	0	0	0	111	T180 L181 Y182 E183 E230 V232	T180-T293 WeakPolarHBondContact CA-O 3.45Å; L181-T293 PolarHBondContact N-O 2.97Å; Y182-T293 HydrophobicContact CE1-CG2 4.31Å; E183-T293 VanDerWaalsContact OE1-CB 3.27Å; E183-T293 WeakPolarHBondContact OE1-CB 3.43Å; E183-T293 PolarHBondContact OE1-N 3.02Å; E183-T293 PolarHBondContact OE1-OG1 2.78Å; E183-T293 PolarHBondContact OE2-N 2.8Å; E230-T293 HydrophobicContact CG-CG2 4.49Å; V232-T293 HydrophobicContact CG2-CG2 4.4Å
294	Y	97.3	Very high	95.5	Very high	9 Å²	9	44.8 Å²	44.8	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.1	171.1	-63.7	-93.3	0	0	0	108.6	I57 T180 L181 E230 I231 I233 Y235 L245 A292	I57-Y294 HydrophobicContact CD1-CD1 4.19Å; I57-Y294 HydrophobicContact CD1-CD2 4.05Å; I57-Y294 HydrophobicContact CD1-CE1 3.66Å; I57-Y294 HydrophobicContact CD1-CE2 3.52Å; I57-Y294 HydrophobicContact CD1-CG 4.36Å; T180-Y294 HydrophobicContact CG2-CD1 4.1Å; L181-Y294 HydrophobicContact CD2-CE1 4.04Å; L181-Y294 HydrophobicContact CD2-CE2 4.41Å; L181-Y294 HydrophobicContact CG-CE1 4.47Å; E230-Y294 WeakPolarHBondContact CA-O 3.33Å; I231-Y294 PolarHBondContact N-O 2.98Å; I231-Y294 PolarHBondContact O-N 3.34Å; I233-Y294 HydrophobicContact CB-CE2 4.32Å; I233-Y294 HydrophobicContact CD1-CD2 4.01Å; I233-Y294 HydrophobicContact CD1-CE2 3.78Å; I233-Y294 HydrophobicContact CG1-CD2 4.31Å; I233-Y294 HydrophobicContact CG1-CE2 4.23Å; Y235-Y294 PolarHBondContact OH-OH 3.41Å; L245-Y294 HydrophobicContact CD2-CE1 4.34Å; A292-Y294 HydrophobicContact CB-CE2 4.05Å; A292-Y294 WeakPolarHBondContact O-CD2 3.07Å
295	R	97.6	Very high	95.9	Very high	69 Å²	69	42.9 Å²	42.9	26%	0.26	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.3	178.5	-172.9	164.8	166	97.7	0.4	108.7	P176 A177 M178 T180 I228 E230	P176-R295 CarbonylContact C-O 3.52Å; P176-R295 WeakPolarHBondContact CA-O 3.4Å; A177-R295 HydrophobicContact CB-CG 4.42Å; A177-R295 PolarHBondContact N-O 3.3Å; M178-R295 VanDerWaalsContact O-CD 3.29Å; M178-R295 WeakPolarHBondContact O-CD 3.46Å; T180-R295 PolarHBondContact OG1-N 3.5Å; T180-R295 VanDerWaalsContact OG1-N 3.15Å; T180-R295 PolarHBondContact OG1-O 2.93Å; T180-R295 VanDerWaalsContact OG1-O 3.05Å; I228-R295 HydrophobicContact CG2-CG 3.67Å; E230-R295 HydrophobicContact CG-CB 4.25Å; E230-R295 HydrophobicContact CG-CG 4.07Å; E230-R295 IonicContact OE1-CZ 3.95Å; E230-R295 IonicContact OE1-NH1 2.85Å; E230-R295 PolarHBondContact OE1-NH1 3.39Å
296	L	98.1	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.3	-169.4	-59.4	173.2	0	0	0	109.5	V61 M146 V174 I228 D229 I231 Y298	V61-L296 HydrophobicContact CG2-CD1 3.46Å; V61-L296 VanDerWaalsContact CG2-CD1 3.46Å; V61-L296 HydrophobicContact CG2-CD2 4.05Å; V61-L296 HydrophobicContact CG2-CG 4.41Å; M146-L296 HydrophobicContact SD-CD2 3.84Å; V174-L296 HydrophobicContact CG2-CB 4Å; V174-L296 HydrophobicContact CG2-CD2 4.46Å; I228-L296 WeakPolarHBondContact CA-O 3.28Å; D229-L296 PolarHBondContact N-O 2.69Å; D229-L296 PolarHBondContact O-N 3.13Å; I231-L296 HydrophobicContact CD1-CD1 3.59Å; I231-L296 HydrophobicContact CG1-CD1 3.84Å; L296-Y298 HydrophobicContact CB-CD2 4.45Å; L296-Y298 HydrophobicContact CB-CE2 3.82Å; L296-Y298 HydrophobicContact CD1-CE2 4.43Å
297	L	98.2	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	108.8	173.2	175.5	66.9	0	0	0	109	V174 M175 A177 M212 L226 I228 F299	V174-L297 WeakPolarHBondContact CA-O 3.39Å; M175-L297 HydrophobicContact CE-CD2 3.94Å; M175-L297 PolarHBondContact N-O 3.03Å; M175-L297 VanDerWaalsContact N-O 3.12Å; M175-L297 PolarHBondContact O-N 3.05Å; A177-L297 HydrophobicContact CB-CB 3.79Å; M212-L297 HydrophobicContact CB-CD2 3.57Å; M212-L297 HydrophobicContact CG-CD2 3.74Å; L226-L297 HydrophobicContact CB-CD1 4.15Å; L226-L297 HydrophobicContact CD1-CD1 4.49Å; L226-L297 HydrophobicContact CD2-CD1 4.41Å; I228-L297 HydrophobicContact CD1-CD1 4.44Å; I228-L297 HydrophobicContact CG1-CD1 3.8Å; L297-F299 HydrophobicContact CG-CD1 4.41Å
298	Y	98.5	Very high	96.7	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	139.4	167.5	-63.8	-93.5	0	0	0	109.1	R64 L65 G173 V174 L226 D227 D229 L296	R64-Y298 HydrophobicContact CB-CE1 4.3Å; R64-Y298 WeakPolarHBondContact CB-OH 3.08Å; R64-Y298 WeakPolarHBondContact CD-OH 3.46Å; L65-Y298 HydrophobicContact CD1-CD1 4.04Å; L65-Y298 HydrophobicContact CD1-CE1 4.36Å; G173-Y298 WeakPolarHBondContact O-CA 3.18Å; V174-Y298 HydrophobicContact CB-CD1 3.61Å; V174-Y298 HydrophobicContact CB-CE1 3.65Å; V174-Y298 HydrophobicContact CB-CG 4.24Å; V174-Y298 HydrophobicContact CG1-CD1 4.48Å; V174-Y298 HydrophobicContact CG1-CE1 4.16Å; V174-Y298 HydrophobicContact CG2-CD1 3.75Å; V174-Y298 HydrophobicContact CG2-CD2 4.17Å; V174-Y298 HydrophobicContact CG2-CE1 3.55Å; V174-Y298 HydrophobicContact CG2-CE2 3.97Å; V174-Y298 HydrophobicContact CG2-CG 4.05Å; L226-Y298 WeakPolarHBondContact CA-O 3.42Å; D227-Y298 PolarHBondContact N-O 3.1Å; D227-Y298 PolarHBondContact O-N 3.01Å; D229-Y298 HydrophobicContact CB-CD2 4.37Å; D229-Y298 HydrophobicContact CB-CE2 3.84Å; L296-Y298 HydrophobicContact CB-CD2 4.45Å; L296-Y298 HydrophobicContact CB-CE2 3.82Å; L296-Y298 HydrophobicContact CD1-CE2 4.43Å
299	F	98.5	Very high	96.4	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	143.2	178.6	56.3	-91.9	0	0	0	111.1	L148 L171 L172 G173 M175 M212 L216 T225 L226 L297	L148-F299 HydrophobicContact CD1-CE2 4.25Å; L148-F299 HydrophobicContact CD1-CZ 3.73Å; L171-F299 HydrophobicContact CD1-CE2 4.4Å; L171-F299 HydrophobicContact CD2-CE2 3.97Å; L171-F299 HydrophobicContact CG-CD2 4.47Å; L171-F299 HydrophobicContact CG-CE2 3.98Å; L172-F299 WeakPolarHBondContact CA-O 3.23Å; G173-F299 PolarHBondContact N-O 3.02Å; G173-F299 WeakPolarHBondContact O-CD1 3.32Å; G173-F299 PolarHBondContact O-N 2.9Å; M175-F299 HydrophobicContact CE-CE1 4.34Å; M175-F299 HydrophobicContact CG-CE1 4.05Å; M175-F299 HydrophobicContact SD-CE1 4.25Å; M212-F299 HydrophobicContact CE-CD1 4.03Å; M212-F299 HydrophobicContact CE-CD2 3.77Å; M212-F299 HydrophobicContact CE-CE1 4Å; M212-F299 HydrophobicContact CE-CE2 3.74Å; M212-F299 HydrophobicContact CE-CG 3.93Å; M212-F299 HydrophobicContact CE-CZ 3.87Å; M212-F299 HydrophobicContact CG-CD1 4.45Å; L216-F299 HydrophobicContact CD1-CB 4.12Å; L216-F299 HydrophobicContact CD1-CD2 4.23Å; L216-F299 HydrophobicContact CD1-CG 4.42Å; T225-F299 WeakPolarHBondContact O-CA 3.19Å; L226-F299 HydrophobicContact CD2-CB 3.27Å; L297-F299 HydrophobicContact CG-CD1 4.41Å
300	I	98.3	Very high	95.9	Very high	26 Å²	26	38 Å²	38	13%	0.133	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.3	167.8	-170.6	170.6	0	0	0	109.3	I72 C170 L171 L172 I224 T225 W302	I72-I300 HydrophobicContact CD1-CD1 3.7Å; C170-I300 HydrophobicContact CB-CD1 4.49Å; C170-I300 HydrophobicContact CB-CG1 4.29Å; L171-I300 CarbonylContact O-C 3.58Å; L171-I300 VanDerWaalsContact O-CA 3.26Å; L171-I300 WeakPolarHBondContact O-CA 3.34Å; L172-I300 HydrophobicContact CB-CG1 4.48Å; L172-I300 HydrophobicContact CD1-CB 4.08Å; L172-I300 HydrophobicContact CD1-CD1 4.47Å; L172-I300 HydrophobicContact CD1-CG1 4.45Å; I224-I300 WeakPolarHBondContact CA-O 3.37Å; T225-I300 PolarHBondContact N-O 3.36Å; T225-I300 PolarHBondContact O-N 3.19Å; I300-W302 HydrophobicContact CD1-CZ2 3.65Å
301	G	98.1	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135	175.1	0	0	0	0	0	110.3	C170 L171 F221	C170-G301 CarbonylContact C-O 3.56Å; C170-G301 VanDerWaalsContact CA-O 3.29Å; C170-G301 WeakPolarHBondContact CA-O 3.41Å; C170-G301 WeakPolarHBondContact CB-O 3.2Å; L171-G301 PolarHBondContact N-O 2.56Å; L171-G301 PolarHBondContact O-N 2.92Å; F221-G301 VanDerWaalsContact CD1-C 3.45Å; F221-G301 WeakPolarHBondContact CD1-O 3.49Å
302	W	98.2	Very high	94.9	Very high	40 Å²	40	49.9 Å²	49.9	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144.7	-176.4	-62.1	77.2	0	0	0	110.6	I72 D168 C170 F221 N222 L223 I300	I72-W302 HydrophobicContact CD1-CZ2 4.44Å; I72-W302 HydrophobicContact CG2-CH2 3.99Å; D168-W302 WeakPolarHBondContact O-CZ3 3.46Å; C170-W302 HydrophobicContact CB-CD2 3.65Å; C170-W302 HydrophobicContact CB-CE3 3.66Å; C170-W302 HydrophobicContact CB-CG 4.12Å; C170-W302 HydrophobicContact CB-CH2 4.27Å; C170-W302 HydrophobicContact CB-CZ2 4.27Å; C170-W302 HydrophobicContact CB-CZ3 3.97Å; F221-W302 CarbonylContact C-O 3.53Å; F221-W302 VanDerWaalsContact CA-O 3.32Å; F221-W302 WeakPolarHBondContact CA-O 3.33Å; N222-W302 PolarHBondContact N-O 2.91Å; N222-W302 PolarHBondContact O-N 3Å; N222-W302 PolarHBondContact OD1-O 3.25Å; L223-W302 HydrophobicContact CB-CB 4.27Å; L223-W302 HydrophobicContact CB-CG 4.09Å; L223-W302 HydrophobicContact CD1-CB 4.48Å; L223-W302 HydrophobicContact CD1-CG 4.35Å; I300-W302 HydrophobicContact CD1-CZ2 3.65Å
303	K	98.4	Very high	94.5	Very high	28 Å²	28	54.4 Å²	54.4	12%	0.122	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-73.1	127.8	166.7	-176.9	167.4	-179.3	166.3	0	107.8	N137 L162 L165 R166 D168 G169 D305 Q308	N137-K303 PolarHBondContact OD1-NZ 3.28Å; L162-K303 HydrophobicContact CD1-CB 3.82Å; L162-K303 HydrophobicContact CD1-CD 4.34Å; L162-K303 HydrophobicContact CD1-CG 3.81Å; L162-K303 HydrophobicContact CG-CG 4.44Å; L162-K303 WeakPolarHBondContact O-CD 3.46Å; L162-K303 WeakPolarHBondContact O-CE 3.34Å; L162-K303 PolarHBondContact O-NZ 3.42Å; L165-K303 HydrophobicContact CB-CB 4.39Å; L165-K303 HydrophobicContact CB-CD 4.02Å; L165-K303 VanDerWaalsContact O-CD 3.31Å; L165-K303 WeakPolarHBondContact O-CD 3.29Å; L165-K303 PolarHBondContact O-NZ 2.84Å; R166-K303 WeakPolarHBondContact O-CD 3.4Å; D168-K303 PolarHBondContact N-O 3.38Å; G169-K303 WeakPolarHBondContact O-CB 3.2Å; G169-K303 PolarHBondContact O-N 3.24Å; K303-D305 PolarHBondContact O-N 2.8Å; K303-Q308 PolarHBondContact O-NE2 3.31Å
304	P	97.6	Very high	94.1	Very high	61 Å²	61	66.3 Å²	66.3	40%	0.396	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-55.4	133.7	-178	-27	34	0	0	0	112.6	G220 N222	G220-P304 VanDerWaalsContact O-CD 3.32Å; G220-P304 WeakPolarHBondContact O-CD 3.35Å; G220-P304 WeakPolarHBondContact O-CG 3.49Å; N222-P304 HydrophobicContact CB-CG 4.27Å
305	D	96.6	Very high	93.7	Very high	41 Å²	41	69.5 Å²	69.5	22%	0.219	39%	0.388	C	S	.	.			trans	-141.4	144.7	169.5	-168	71.6	0	0	0	111.1	N167 D168 K303 S307 Q308	N167-D305 HydrophobicContact CB-CB 4.01Å; N167-D305 WeakPolarHBondContact CB-OD1 3.2Å; N167-D305 PolarHBondContact ND2-OD1 3.2Å; D168-D305 HydrophobicContact CB-CB 3.75Å; K303-D305 PolarHBondContact O-N 2.8Å; D305-S307 PolarHBondContact O-N 2.95Å; D305-S307 WeakPolarHBondContact OD2-CB 3.46Å; D305-S307 PolarHBondContact OD2-N 2.78Å; D305-S307 PolarHBondContact OD2-OG 3.48Å; D305-Q308 HydrophobicContact CB-CG 4.33Å; D305-Q308 VanDerWaalsContact N-OE1 3.13Å; D305-Q308 WeakPolarHBondContact O-CB 3.12Å; D305-Q308 PolarHBondContact O-N 3.16Å; D305-Q308 PolarHBondContact O-OE1 3.35Å
306	P	93	Very high	93.3	Very high	111 Å²	111	68.2 Å²	68.2	72%	0.721	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.6	175.2	-25.9	36.5	0	0	0	115.2	Q308	P306-Q308 PolarHBondContact O-N 3.02Å
307	S	91.3	Very high	92.7	Very high	84 Å²	84	72.2 Å²	72.2	59%	0.587	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.1	177.8	74.9	0	0	0	0	113.4	D305	D305-S307 PolarHBondContact O-N 2.95Å; D305-S307 WeakPolarHBondContact OD2-CB 3.46Å; D305-S307 PolarHBondContact OD2-N 2.78Å; D305-S307 PolarHBondContact OD2-OG 3.48Å
308	Q	92.6	Very high	92.1	Very high	21 Å²	21	79.9 Å²	79.9	10%	0.098	46%	0.458	C	S	.	.	S	Bend	trans	-65.3	140.3	-174.1	-72.9	168.7	-15.1	0	0	111.8	D168 N222 L223 K303 D305 P306 K310	D168-Q308 WeakPolarHBondContact OD1-CG 3.15Å; D168-Q308 PolarHBondContact OD1-NE2 3.25Å; N222-Q308 PolarHBondContact ND2-OE1 3.34Å; N222-Q308 PolarHBondContact OD1-OE1 2.73Å; L223-Q308 HydrophobicContact CD1-CB 4.21Å; L223-Q308 HydrophobicContact CD1-CG 4.14Å; K303-Q308 PolarHBondContact O-NE2 3.31Å; D305-Q308 HydrophobicContact CB-CG 4.33Å; D305-Q308 VanDerWaalsContact N-OE1 3.13Å; D305-Q308 WeakPolarHBondContact O-CB 3.12Å; D305-Q308 PolarHBondContact O-N 3.16Å; D305-Q308 PolarHBondContact O-OE1 3.35Å; P306-Q308 PolarHBondContact O-N 3.02Å; Q308-K310 PolarHBondContact O-N 2.93Å
309	S	85.8	Confident	91.5	Very high	112 Å²	112	84.5 Å²	84.5	78%	0.783	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-55.6	122.4	178.4	-68.2	0	0	0	0	111
310	K	85.8	Confident	91.1	Very high	164 Å²	164	87.2 Å²	87.2	71%	0.713	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-93.2	141.7	173.8	-64.7	179.3	-174.5	173.7	0	109.2	Q308 L312	Q308-K310 PolarHBondContact O-N 2.93Å; K310-L312 PolarHBondContact O-N 3.33Å
311	P	85.5	Confident	90.6	Very high	126 Å²	126	93.3 Å²	93.3	82%	0.818	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-52.7	131.7	169.5	-24.1	33.2	0	0	0	110.1
312	L	87	Confident	90.4	Very high	138 Å²	138	101.7 Å²	101.7	72%	0.723	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-63.7	153.4	174.1	-70.4	171.8	0	0	0	110.3	K310 R314 S316	K310-L312 PolarHBondContact O-N 3.33Å; L312-R314 PolarHBondContact O-N 3.39Å; L312-S316 VanDerWaalsContact CB-OG 3.29Å; L312-S316 WeakPolarHBondContact CB-OG 3.46Å
313	P	90.5	Very high	90	Very high	96 Å²	96	102.2 Å²	102.2	62%	0.623	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-54.4	137.9	178	-24.2	33.4	0	0	0	111.7	G315 S316	P313-G315 PolarHBondContact O-N 3.43Å; P313-S316 VanDerWaalsContact O-CB 3.24Å; P313-S316 WeakPolarHBondContact O-CB 3.39Å; P313-S316 PolarHBondContact O-N 3.4Å; P313-S316 PolarHBondContact O-OG 2.86Å
314	R	89.6	Confident	89.6	Confident	259 Å²	259	106 Å²	106	98%	0.977	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	127.7	175.7	-174.7	-178.6	179.6	-149	0.2	109.8	L312	L312-R314 PolarHBondContact O-N 3.39Å
315	G	89.1	Confident	89.3	Confident	76 Å²	76	109.7 Å²	109.7	78%	0.784	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.3	1.2	-178.4	0	0	0	0	0	115	P313 A317	P313-G315 PolarHBondContact O-N 3.43Å; G315-A317 PolarHBondContact O-N 2.94Å
316	S	88.4	Confident	89	Confident	42 Å²	42	113.7 Å²	113.7	29%	0.294	62%	0.615	S	S	.	*			trans	-79.9	9.1	175.1	73.2	0	0	0	0	114.4	L312 P313 Q318	L312-S316 VanDerWaalsContact CB-OG 3.29Å; L312-S316 WeakPolarHBondContact CB-OG 3.46Å; P313-S316 VanDerWaalsContact O-CB 3.24Å; P313-S316 WeakPolarHBondContact O-CB 3.39Å; P313-S316 PolarHBondContact O-N 3.4Å; P313-S316 PolarHBondContact O-OG 2.86Å; S316-Q318 PolarHBondContact O-N 2.83Å; S316-Q318 PolarHBondContact O-NE2 3.37Å
317	A	86	Confident	88.8	Confident	85 Å²	85	112.2 Å²	112.2	70%	0.702	60%	0.6	S	S	*	*			trans	-64.3	124.8	-179.5	0	0	0	0	0	109.9	G315	G315-A317 PolarHBondContact O-N 2.94Å
318	Q	85.9	Confident	88.8	Confident	160 Å²	160	113.8 Å²	113.8	75%	0.748	60%	0.602	S	S	*	*			trans	-88.6	-20.9	-179	-62.2	-60.7	-31.4	0	0	112.9	S316	S316-Q318 PolarHBondContact O-N 2.83Å; S316-Q318 PolarHBondContact O-NE2 3.37Å
319	Y	85.9	Confident	88.6	Confident	102 Å²	102	119.1 Å²	119.1	40%	0.4	63%	0.627	S	S	.	*	S	Bend	trans	-133.7	145.7	-175.4	-57.4	-76.5	0	0	0	110.2	L330	Y319-L330 HydrophobicContact CD1-CD1 4.06Å; Y319-L330 HydrophobicContact CD1-CD2 3.72Å; Y319-L330 HydrophobicContact CD1-CG 4.4Å; Y319-L330 HydrophobicContact CE1-CD2 3.64Å; Y319-L330 HydrophobicContact CG-CD1 4.49Å
320	S	89.2	Confident	88.5	Confident	60 Å²	60	115.8 Å²	115.8	42%	0.42	60%	0.6	S	S	.	*			trans	-87.1	143.5	175.6	-179.7	0	0	0	0	110.2	K322 D323	S320-K322 PolarHBondContact O-N 3.19Å; S320-K322 VanDerWaalsContact O-N 3.07Å; S320-K322 PolarHBondContact OG-N 2.85Å; S320-D323 WeakPolarHBondContact CB-OD2 3.33Å; S320-D323 PolarHBondContact N-OD2 3.44Å; S320-D323 WeakPolarHBondContact O-CB 3.28Å; S320-D323 PolarHBondContact O-N 3.1Å
321	L	88.3	Confident	88.5	Confident	153 Å²	153	111.6 Å²	111.6	80%	0.801	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-59.3	-18.3	169.3	-75.2	172	0	0	0	112.7	D323 L324	L321-D323 PolarHBondContact O-N 3.15Å; L321-L324 HydrophobicContact CD2-CD1 4.19Å; L321-L324 WeakPolarHBondContact O-CB 3.27Å; L321-L324 PolarHBondContact O-N 3.49Å
322	K	92.8	Very high	88.5	Confident	177 Å²	177	112.3 Å²	112.3	77%	0.77	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-67.1	-23.5	172.7	-64.1	-176.7	178.5	-179.1	0	112.8	S320 L324 H325	S320-K322 PolarHBondContact O-N 3.19Å; S320-K322 VanDerWaalsContact O-N 3.07Å; S320-K322 PolarHBondContact OG-N 2.85Å; K322-L324 VanDerWaalsContact C-N 3.26Å; K322-L324 PolarHBondContact O-N 3.46Å; K322-H325 PolarHBondContact O-CE1 3.43Å; K322-H325 PolarHBondContact O-ND1 3.39Å
323	D	90.2	Very high	88.1	Confident	51 Å²	51	107.9 Å²	107.9	27%	0.273	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-88.1	7.3	-177.6	-54	-39.7	0	0	0	112.3	S320 L321 H325 R326 L330	S320-D323 WeakPolarHBondContact CB-OD2 3.33Å; S320-D323 PolarHBondContact N-OD2 3.44Å; S320-D323 WeakPolarHBondContact O-CB 3.28Å; S320-D323 PolarHBondContact O-N 3.1Å; L321-D323 PolarHBondContact O-N 3.15Å; D323-H325 PolarHBondContact O-N 2.93Å; D323-H325 VanDerWaalsContact O-N 3.11Å; D323-R326 WeakPolarHBondContact O-CA 3.3Å; D323-R326 WeakPolarHBondContact O-CB 3.46Å; D323-R326 PolarHBondContact O-N 3.24Å; D323-L330 HydrophobicContact CB-CD1 3.92Å
324	L	89.8	Confident	87.4	Confident	108 Å²	108	108.8 Å²	108.8	57%	0.565	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-56.5	-30.3	179.5	-145.8	100	0	0	0	112.7	L321 K322 R326 I327	L321-L324 HydrophobicContact CD2-CD1 4.19Å; L321-L324 WeakPolarHBondContact O-CB 3.27Å; L321-L324 PolarHBondContact O-N 3.49Å; K322-L324 VanDerWaalsContact C-N 3.26Å; K322-L324 PolarHBondContact O-N 3.46Å; L324-R326 PolarHBondContact O-N 2.91Å; L324-I327 VanDerWaalsContact O-CB 3.28Å; L324-I327 WeakPolarHBondContact O-CB 3.07Å; L324-I327 PolarHBondContact O-N 2.93Å; L324-I327 VanDerWaalsContact O-N 3.1Å
325	H	92.3	Very high	86.6	Confident	138 Å²	138	104.4 Å²	104.4	64%	0.639	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-64.4	-16.5	174.5	70.2	-78.9	0	0	0	113.7	K322 D323	K322-H325 PolarHBondContact O-CE1 3.43Å; K322-H325 PolarHBondContact O-ND1 3.39Å; D323-H325 PolarHBondContact O-N 2.93Å; D323-H325 VanDerWaalsContact O-N 3.11Å
326	R	90	Very high	85.8	Confident	124 Å²	124	108.8 Å²	108.8	47%	0.468	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-105.7	15.4	176.2	-51.8	-174.8	-173	178.4	-3.2	112.1	D323 L324 D328 E329 L330	D323-R326 WeakPolarHBondContact O-CA 3.3Å; D323-R326 WeakPolarHBondContact O-CB 3.46Å; D323-R326 PolarHBondContact O-N 3.24Å; L324-R326 PolarHBondContact O-N 2.91Å; R326-D328 PolarHBondContact O-N 2.58Å; R326-D328 VanDerWaalsContact O-N 3.11Å; R326-E329 HydrophobicContact CB-CB 4.41Å; R326-E329 WeakPolarHBondContact O-CA 3.25Å; R326-E329 WeakPolarHBondContact O-CB 3.16Å; R326-E329 PolarHBondContact O-N 2.91Å; R326-L330 HydrophobicContact CB-CG 4.27Å; R326-L330 WeakPolarHBondContact O-CG 3.41Å; R326-L330 PolarHBondContact O-N 3.36Å
327	I	89.9	Confident	84.1	Confident	81 Å²	81	117.3 Å²	117.3	42%	0.415	57%	0.571	S	S	.	*	H	α-helix	trans	-54.3	-37.9	-172.1	-159.9	168.9	0	0	0	112.1	L324 E329 L330 I331	L324-I327 VanDerWaalsContact O-CB 3.28Å; L324-I327 WeakPolarHBondContact O-CB 3.07Å; L324-I327 PolarHBondContact O-N 2.93Å; L324-I327 VanDerWaalsContact O-N 3.1Å; I327-E329 PolarHBondContact O-N 3.33Å; I327-L330 PolarHBondContact O-N 3.46Å; I327-I331 HydrophobicContact CG1-CD1 3.86Å; I327-I331 HydrophobicContact CG1-CG1 4.21Å; I327-I331 VanDerWaalsContact O-CB 3.28Å; I327-I331 WeakPolarHBondContact O-CB 3.46Å; I327-I331 WeakPolarHBondContact O-CG1 3.42Å; I327-I331 PolarHBondContact O-N 3.49Å
328	D	90.6	Very high	84	Confident	117 Å²	117	119 Å²	119	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-63.8	-38	177.2	-63	-26	0	0	0	112.8	R326 K332	R326-D328 PolarHBondContact O-N 2.58Å; R326-D328 VanDerWaalsContact O-N 3.11Å; D328-K332 WeakPolarHBondContact O-CG 3.14Å; D328-K332 PolarHBondContact O-N 3.37Å
329	E	88.3	Confident	83.9	Confident	132 Å²	132	116.8 Å²	116.8	62%	0.617	56%	0.555	S	S	*	*	H	α-helix	trans	-71.9	-42.5	175.7	-58.6	178	170	0	0	110.8	R326 I327 K332 S333	R326-E329 HydrophobicContact CB-CB 4.41Å; R326-E329 WeakPolarHBondContact O-CA 3.25Å; R326-E329 WeakPolarHBondContact O-CB 3.16Å; R326-E329 PolarHBondContact O-N 2.91Å; I327-E329 PolarHBondContact O-N 3.33Å; E329-K332 PolarHBondContact O-N 2.96Å; E329-S333 PolarHBondContact O-N 3.01Å; E329-S333 VanDerWaalsContact O-N 3.08Å
330	L	84.2	Confident	83.8	Confident	42 Å²	42	117.6 Å²	117.6	22%	0.22	56%	0.564	C	S	.	*	H	α-helix	trans	-64.7	-42.6	179	-65.3	178.6	0	0	0	111.6	Y319 D323 R326 I327 S333 H334	Y319-L330 HydrophobicContact CD1-CD1 4.06Å; Y319-L330 HydrophobicContact CD1-CD2 3.72Å; Y319-L330 HydrophobicContact CD1-CG 4.4Å; Y319-L330 HydrophobicContact CE1-CD2 3.64Å; Y319-L330 HydrophobicContact CG-CD1 4.49Å; D323-L330 HydrophobicContact CB-CD1 3.92Å; R326-L330 HydrophobicContact CB-CG 4.27Å; R326-L330 WeakPolarHBondContact O-CG 3.41Å; R326-L330 PolarHBondContact O-N 3.36Å; I327-L330 PolarHBondContact O-N 3.46Å; L330-S333 PolarHBondContact O-N 3.29Å; L330-S333 PolarHBondContact O-OG 2.75Å; L330-H334 PolarHBondContact O-N 2.99Å; L330-H334 VanDerWaalsContact O-N 3.08Å
331	I	85.3	Confident	83.5	Confident	76 Å²	76	121 Å²	121	39%	0.39	57%	0.572	S	S	.	*	H	α-helix	trans	-58.7	-49.2	176.2	-76.7	168.7	0	0	0	110.1	I327 S333 H334 F335	I327-I331 HydrophobicContact CG1-CD1 3.86Å; I327-I331 HydrophobicContact CG1-CG1 4.21Å; I327-I331 VanDerWaalsContact O-CB 3.28Å; I327-I331 WeakPolarHBondContact O-CB 3.46Å; I327-I331 WeakPolarHBondContact O-CG1 3.42Å; I327-I331 PolarHBondContact O-N 3.49Å; I331-S333 VanDerWaalsContact C-N 3.33Å; I331-S333 PolarHBondContact O-N 2.86Å; I331-H334 PolarHBondContact O-N 2.86Å; I331-H334 VanDerWaalsContact O-N 3.11Å; I331-F335 HydrophobicContact CG2-CD2 3.65Å; I331-F335 HydrophobicContact CG2-CE2 3.62Å; I331-F335 VanDerWaalsContact O-CD2 3.29Å; I331-F335 WeakPolarHBondContact O-CD2 3.35Å; I331-F335 PolarHBondContact O-N 2.94Å; I331-F335 VanDerWaalsContact O-N 3.14Å
332	K	85.5	Confident	83.2	Confident	141 Å²	141	119 Å²	119	61%	0.613	56%	0.558	S	S	*	*	H	α-helix	trans	-57.1	-46.7	177.2	-73.1	172.9	-176.5	176.6	0	111.6	D328 E329 H334 F335 E336	D328-K332 WeakPolarHBondContact O-CG 3.14Å; D328-K332 PolarHBondContact O-N 3.37Å; E329-K332 PolarHBondContact O-N 2.96Å; K332-H334 PolarHBondContact O-N 3.14Å; K332-F335 PolarHBondContact O-N 2.93Å; K332-E336 WeakPolarHBondContact O-CG 3.32Å; K332-E336 PolarHBondContact O-N 2.99Å; K332-E336 VanDerWaalsContact O-N 3.15Å
333	S	78.8	Confident	82.6	Confident	45 Å²	45	115.1 Å²	115.1	32%	0.315	54%	0.544	S	S	.	.	H	α-helix	trans	-63.6	-24.4	179	79.2	0	0	0	0	114.4	E329 L330 I331	E329-S333 PolarHBondContact O-N 3.01Å; E329-S333 VanDerWaalsContact O-N 3.08Å; L330-S333 PolarHBondContact O-N 3.29Å; L330-S333 PolarHBondContact O-OG 2.75Å; I331-S333 VanDerWaalsContact C-N 3.33Å; I331-S333 PolarHBondContact O-N 2.86Å
334	H	74.6	Confident	82	Confident	115 Å²	115	119.7 Å²	119.7	53%	0.532	56%	0.563	S	S	.	*	H	α-helix	trans	-83.2	-38	179.8	-164.4	76.2	0	0	0	111.9	L330 I331 K332	L330-H334 PolarHBondContact O-N 2.99Å; L330-H334 VanDerWaalsContact O-N 3.08Å; I331-H334 PolarHBondContact O-N 2.86Å; I331-H334 VanDerWaalsContact O-N 3.11Å; K332-H334 PolarHBondContact O-N 3.14Å
335	F	73.3	Confident	81.4	Confident	168 Å²	168	120.6 Å²	120.6	74%	0.737	56%	0.563	S	S	*	*	H	α-helix	trans	-78.6	-17.7	177.7	-75.2	-67.3	0	0	0	114.2	I331 K332 K337	I331-F335 HydrophobicContact CG2-CD2 3.65Å; I331-F335 HydrophobicContact CG2-CE2 3.62Å; I331-F335 VanDerWaalsContact O-CD2 3.29Å; I331-F335 WeakPolarHBondContact O-CD2 3.35Å; I331-F335 PolarHBondContact O-N 2.94Å; I331-F335 VanDerWaalsContact O-N 3.14Å; K332-F335 PolarHBondContact O-N 2.93Å; F335-K337 VanDerWaalsContact C-N 3.31Å
336	E	72.4	Confident	80.5	Confident	167 Å²	167	119.2 Å²	119.2	78%	0.78	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-10.6	173.3	-75.4	178.2	178.6	0	0	113.8	K332	K332-E336 WeakPolarHBondContact O-CG 3.32Å; K332-E336 PolarHBondContact O-N 2.99Å; K332-E336 VanDerWaalsContact O-N 3.15Å
337	K	53.5	Low	79.7	Confident	222 Å²	222	118.7 Å²	118.7	97%	0.965	57%	0.565	S	S	*	*			trans	-95.6	0	173.3	-71.9	-179.4	179.5	177	0	110.7	F335	F335-K337 VanDerWaalsContact C-N 3.31Å

Retrieved 337 of 337 residues in 198.4 ms (Link to these results)

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