A0A5K4F0L3_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A5K4F0L3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 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	35.9	Very low	41.3	Very low	228 Å²	228	116.4 Å²	116.4	100%	1.123	64%	0.643	S	S	*	*				0	114.3	0	-84.8	167.1	178.1	0	0	106.7	D5	M1-D5 WeakPolarHBondContact CA-OD2 3.32Å
2	S	41.9	Very low	40.9	Very low	73 Å²	73	116.4 Å²	116.4	51%	0.51	65%	0.648	S	S	.	*			trans	-69.1	154.1	170.6	110.3	0	0	0	0	107.1	F4 D5	S2-F4 PolarHBondContact O-N 3.44Å; S2-F4 PolarHBondContact OG-N 3.5Å; S2-D5 VanDerWaalsContact CB-OD1 3.24Å; S2-D5 WeakPolarHBondContact CB-OD1 3.23Å; S2-D5 PolarHBondContact N-OD2 3.36Å; S2-D5 PolarHBondContact OG-OD1 3.15Å
3	L	45.6	Very low	40.3	Very low	101 Å²	101	121.4 Å²	121.4	53%	0.529	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-6.1	-172.4	-166.7	69.7	0	0	0	113.3	K123	L3-K123 HydrophobicContact CD2-CD 3.95Å
4	F	50	Low	39.5	Very low	58 Å²	58	123.9 Å²	123.9	25%	0.254	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.6	13.6	-164.4	-52.7	-60.4	0	0	0	114.5	S2 D6 L7 E119 K262	S2-F4 PolarHBondContact O-N 3.44Å; S2-F4 PolarHBondContact OG-N 3.5Å; F4-D6 PolarHBondContact O-N 3.4Å; F4-L7 PolarHBondContact O-N 3.23Å; F4-E119 HydrophobicContact CE2-CG 4.36Å; F4-E119 WeakPolarHBondContact CE2-OE1 3.49Å; F4-K262 HydrophobicContact CD1-CB 3.75Å; F4-K262 HydrophobicContact CD1-CD 4.33Å; F4-K262 HydrophobicContact CD2-CD 4.25Å; F4-K262 HydrophobicContact CE1-CB 3.2Å; F4-K262 HydrophobicContact CE1-CD 3.95Å; F4-K262 HydrophobicContact CE1-CG 4.22Å; F4-K262 HydrophobicContact CE2-CD 3.83Å; F4-K262 HydrophobicContact CG-CD 4.47Å; F4-K262 HydrophobicContact CZ-CB 3.69Å; F4-K262 HydrophobicContact CZ-CD 3.66Å; F4-K262 HydrophobicContact CZ-CG 4.3Å
5	D	49.6	Very low	39.1	Very low	100 Å²	100	122.2 Å²	122.2	54%	0.535	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.5	-10.4	-170.5	-60.7	-10.8	0	0	0	113.9	M1 S2	M1-D5 WeakPolarHBondContact CA-OD2 3.32Å; S2-D5 VanDerWaalsContact CB-OD1 3.24Å; S2-D5 WeakPolarHBondContact CB-OD1 3.23Å; S2-D5 PolarHBondContact N-OD2 3.36Å; S2-D5 PolarHBondContact OG-OD1 3.15Å
6	D	43.9	Very low	38.5	Very low	166 Å²	166	124.4 Å²	124.4	89%	0.888	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	16.6	-179.3	-71.4	-26.2	0	0	0	115	F4	F4-D6 PolarHBondContact O-N 3.4Å
7	L	40.9	Very low	38.2	Very low	67 Å²	67	126.9 Å²	126.9	35%	0.351	70%	0.698	S	S	.	*	S	Bend	trans	-117.9	140.8	171.2	-67.8	175.5	0	0	0	110.4	F4 E9	F4-L7 PolarHBondContact O-N 3.23Å; L7-E9 PolarHBondContact O-N 3.29Å; L7-E9 VanDerWaalsContact O-N 3.16Å
8	P	34.5	Very low	37.7	Very low	123 Å²	123	129.7 Å²	129.7	80%	0.799	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-59.2	123.8	175	22.8	-30.1	0	0	0	109.5
9	E	39.8	Very low	37	Very low	179 Å²	179	133.6 Å²	133.6	84%	0.836	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-61.4	143.2	169.5	-69.2	-174.4	161.5	0	0	109.3	L7 S11	L7-E9 PolarHBondContact O-N 3.29Å; L7-E9 VanDerWaalsContact O-N 3.16Å; E9-S11 PolarHBondContact O-N 2.77Å
10	P	36.1	Very low	36.5	Very low	94 Å²	94	133.1 Å²	133.1	61%	0.61	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-59.3	130.7	172.3	24.6	-31.2	0	0	0	109.3	V12	P10-V12 PolarHBondContact O-N 3.27Å
11	S	36.7	Very low	36.2	Very low	91 Å²	91	135.5 Å²	135.5	64%	0.636	73%	0.726	S	S	*	*			trans	-62.8	98.8	175.2	49.5	0	0	0	0	109.2	E9 E13	E9-S11 PolarHBondContact O-N 2.77Å; S11-E13 PolarHBondContact O-N 2.98Å
12	V	35.6	Very low	35.6	Very low	117 Å²	117	132.7 Å²	132.7	71%	0.709	71%	0.714	S	S	*	*			trans	-82.5	101.8	170	-175.7	0	0	0	0	107	P10 N14	P10-V12 PolarHBondContact O-N 3.27Å; V12-N14 PolarHBondContact O-N 3.21Å
13	E	33.7	Very low	35.1	Very low	181 Å²	181	137 Å²	137	85%	0.846	73%	0.73	S	S	*	*			trans	-61.1	105.7	161.2	-77.9	-173.2	158.2	0	0	108.3	S11 S15	S11-E13 PolarHBondContact O-N 2.98Å; E13-S15 VanDerWaalsContact C-N 3.31Å; E13-S15 PolarHBondContact O-N 3.19Å
14	N	28.3	Very low	34.1	Very low	156 Å²	156	135.8 Å²	135.8	83%	0.834	74%	0.742	S	S	*	*			trans	-63.8	92.3	164.6	-97.4	-24.6	0	0	0	108.3	V12	V12-N14 PolarHBondContact O-N 3.21Å
15	S	34.2	Very low	32.8	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	77%	0.772	S	S	*	*			trans	-84	115.7	156.6	63.1	0	0	0	0	108.4	E13 L17	E13-S15 VanDerWaalsContact C-N 3.31Å; E13-S15 PolarHBondContact O-N 3.19Å; S15-L17 PolarHBondContact O-N 3.43Å; S15-L17 VanDerWaalsContact O-N 3.13Å
16	D	29.9	Very low	31.8	Very low	158 Å²	158	139.6 Å²	139.6	85%	0.845	79%	0.785	S	S	*	*			trans	-38	108.4	176.9	-65.9	-56.4	0	0	0	113.9
17	L	33.4	Very low	31.1	Very low	166 Å²	166	137 Å²	137	87%	0.869	78%	0.78	S	S	*	*			trans	-102.8	96.4	163.5	-85.3	159.3	0	0	0	108.6	S15 K19	S15-L17 PolarHBondContact O-N 3.43Å; S15-L17 VanDerWaalsContact O-N 3.13Å; L17-K19 PolarHBondContact O-N 3.36Å
18	Q	28.7	Very low	30.7	Very low	177 Å²	177	138 Å²	138	83%	0.827	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-50.4	130.9	167.9	-72.8	174.5	-17.5	0	0	110.4	P20	Q18-P20 VanDerWaalsContact O-CD 3.27Å; Q18-P20 WeakPolarHBondContact O-CD 3.31Å
19	K	23.6	Very low	30.5	Very low	204 Å²	204	144.3 Å²	144.3	89%	0.887	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-61.7	125.3	170.7	-68.3	175.7	176.6	176.8	0	110.1	L17	L17-K19 PolarHBondContact O-N 3.36Å
20	P	28	Very low	30.2	Very low	123 Å²	123	142.2 Å²	142.2	80%	0.799	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-89.8	139.9	159	-3.6	24.2	0	0	0	110.2	Q18	Q18-P20 VanDerWaalsContact O-CD 3.27Å; Q18-P20 WeakPolarHBondContact O-CD 3.31Å
21	E	28.9	Very low	30.4	Very low	184 Å²	184	146.6 Å²	146.6	86%	0.86	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.4	149.9	-178.8	-71.4	171.3	134.7	0	0	114.1	L23	E21-L23 PolarHBondContact O-N 3.31Å
22	I	24.4	Very low	30.8	Very low	170 Å²	170	147.1 Å²	147.1	87%	0.872	81%	0.811	S	S	*	*			trans	-72.5	113.9	178	-59.9	169	0	0	0	109.1
23	L	30.3	Very low	31.5	Very low	163 Å²	163	144.3 Å²	144.3	85%	0.853	81%	0.806	S	S	*	*			trans	-136.7	120.2	164.8	-80.3	170.8	0	0	0	110.3	E21	E21-L23 PolarHBondContact O-N 3.31Å
24	G	25.1	Very low	32.8	Very low	76 Å²	76	141 Å²	141	78%	0.784	80%	0.803	S	S	*	*			trans	65.5	114.3	141.6	0	0	0	0	0	117.6
25	G	22.3	Very low	35.2	Very low	85 Å²	85	140.1 Å²	140.1	88%	0.876	80%	0.803	S	S	*	*			trans	-71.2	158.7	-177.5	0	0	0	0	0	115
26	D	29.8	Very low	37.8	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	79%	0.787	S	S	*	*				-154.9	147.5	128.1	-152.4	-14.2	0	0	0	108.8	S28	D26-S28 PolarHBondContact O-N 3.08Å
27	S	29.4	Very low	40.8	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	79%	0.786	S	S	*	*			trans	-57.5	106	178.8	52.1	0	0	0	0	113.5
28	S	32	Very low	43.8	Very low	90 Å²	90	134.4 Å²	134.4	63%	0.629	76%	0.758	S	S	*	*			trans	-153.9	113.9	142.3	63.6	0	0	0	0	108.5	D26 N30	D26-S28 PolarHBondContact O-N 3.08Å; S28-N30 PolarHBondContact O-N 2.79Å
29	W	30.4	Very low	46.9	Very low	254 Å²	254	126.7 Å²	126.7	96%	0.962	72%	0.723	S	S	*	*			trans	-68.8	81.9	163.1	-70.9	83.7	0	0	0	106.5	E31	W29-E31 PolarHBondContact O-N 3.08Å
30	N	33	Very low	50.2	Low	136 Å²	136	120 Å²	120	73%	0.727	70%	0.7	S	S	*	*			trans	-66	97.9	155.2	-87.4	-13.7	0	0	0	104.9	S28 S32	S28-N30 PolarHBondContact O-N 2.79Å; N30-S32 PolarHBondContact O-N 3.05Å
31	E	41.6	Very low	53.4	Low	186 Å²	186	116.1 Å²	116.1	87%	0.869	67%	0.669	S	S	*	*			trans	-56.7	84.1	153.8	-78.1	-177.5	159.2	0	0	106.2	W29 G33	W29-E31 PolarHBondContact O-N 3.08Å; E31-G33 PolarHBondContact O-N 3.16Å
32	S	43.4	Very low	56.6	Low	101 Å²	101	109.3 Å²	109.3	71%	0.706	64%	0.639	S	S	*	*			trans	-66.5	74	154.9	53	0	0	0	0	105.6	N30 S34	N30-S32 PolarHBondContact O-N 3.05Å; S32-S34 PolarHBondContact O-N 3.28Å
33	G	51.5	Low	60	Low	59 Å²	59	102.1 Å²	102.1	61%	0.608	60%	0.603	S	S	*	*			trans	-59.8	95.2	164.9	0	0	0	0	0	105.5	E31 V35	E31-G33 PolarHBondContact O-N 3.16Å; G33-V35 VanDerWaalsContact C-N 3.32Å; G33-V35 PolarHBondContact O-N 3.49Å
34	S	61.1	Low	63.3	Low	110 Å²	110	94.4 Å²	94.4	77%	0.769	56%	0.563	S	S	*	*			trans	-57.2	101.9	173.1	-72.4	0	0	0	0	107	S32 V36	S32-S34 PolarHBondContact O-N 3.28Å; S34-V36 PolarHBondContact O-N 3.02Å; S34-V36 VanDerWaalsContact O-N 3.08Å
35	V	79.1	Confident	66.8	Low	139 Å²	139	92.8 Å²	92.8	84%	0.842	54%	0.538	S	S	*	.			trans	-63.2	114.3	176.1	179.5	0	0	0	0	106.5	G33 K37	G33-V35 VanDerWaalsContact C-N 3.32Å; G33-V35 PolarHBondContact O-N 3.49Å; V35-K37 PolarHBondContact O-N 3.41Å; V35-K37 VanDerWaalsContact O-N 3.09Å
36	V	88.4	Confident	70.4	Confident	57 Å²	57	90 Å²	90	35%	0.345	50%	0.504	S	S	.	.			trans	-64.6	113.7	178.6	-179	0	0	0	0	108.3	S34 L38 N161	S34-V36 PolarHBondContact O-N 3.02Å; S34-V36 VanDerWaalsContact O-N 3.08Å; V36-L38 HydrophobicContact CG1-CD2 4.12Å; V36-L38 PolarHBondContact O-N 3.28Å; V36-L38 VanDerWaalsContact O-N 3.14Å; V36-N161 HydrophobicContact CG1-CB 4.08Å
37	K	93	Very high	73.6	Confident	191 Å²	191	84.8 Å²	84.8	83%	0.83	48%	0.482	S	S	*	.			trans	-72.1	105.9	173.6	-172.7	177.3	-178.5	177.7	0	109.5	V35 N162	V35-K37 PolarHBondContact O-N 3.41Å; V35-K37 VanDerWaalsContact O-N 3.09Å; K37-N162 PolarHBondContact O-ND2 2.57Å
38	L	95.5	Very high	76.8	Confident	54 Å²	54	84.8 Å²	84.8	28%	0.283	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-77.4	139.7	178.6	-62.7	179.8	0	0	0	111.4	V36 P40 A78 R79 N161 N162	V36-L38 HydrophobicContact CG1-CD2 4.12Å; V36-L38 PolarHBondContact O-N 3.28Å; V36-L38 VanDerWaalsContact O-N 3.14Å; L38-P40 WeakPolarHBondContact O-CD 3.48Å; L38-A78 HydrophobicContact CD1-CB 4.12Å; L38-A78 HydrophobicContact CD2-CB 4.31Å; L38-A78 HydrophobicContact CG-CB 4.41Å; L38-R79 HydrophobicContact CD1-CB 3.72Å; L38-R79 HydrophobicContact CD2-CB 4.15Å; L38-N161 HydrophobicContact CD2-CB 3.9Å; L38-N162 WeakPolarHBondContact CA-OD1 3.12Å
39	I	94.3	Very high	79.6	Confident	16 Å²	16	85 Å²	85	8%	0.082	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-77.2	118.6	168.9	-64.2	169.3	0	0	0	107.7	R79 N162 L265 F354	I39-R79 PolarHBondContact O-NH1 3.41Å; I39-R79 PolarHBondContact O-NH2 3.28Å; I39-N162 HydrophobicContact CD1-CB 4.29Å; I39-N162 PolarHBondContact N-OD1 3.16Å; I39-L265 HydrophobicContact CD1-CB 3.64Å; I39-L265 HydrophobicContact CD1-CD1 4.4Å; I39-F354 HydrophobicContact CG2-CB 4.14Å; I39-F354 HydrophobicContact CG2-CD1 3.68Å; I39-F354 HydrophobicContact CG2-CE1 4.43Å; I39-F354 HydrophobicContact CG2-CG 4.1Å
40	P	93.3	Very high	82.4	Confident	63 Å²	63	74 Å²	74	41%	0.409	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-66.3	148.1	175.8	-18.5	32.7	0	0	0	111.2	L38 T356	L38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-T356 HydrophobicContact CG-CG2 4.1Å
41	Y	95.1	Very high	85.1	Confident	41 Å²	41	74.4 Å²	74.4	16%	0.161	42%	0.417	C	S	.	.			trans	-134.2	157.5	172	72.1	-91.2	0	0	0	111	C43 D63 C81 F83 L159 L352 V353	Y41-C43 HydrophobicContact CD2-CB 4.04Å; Y41-C43 HydrophobicContact CE2-CB 3.93Å; Y41-D63 PolarHBondContact OH-OD1 3.26Å; Y41-C81 PolarHBondContact OH-SG 3.05Å; Y41-C81 VanDerWaalsContact OH-SG 3.4Å; Y41-F83 HydrophobicContact CD2-CZ 4.47Å; Y41-F83 HydrophobicContact CE1-CZ 4.32Å; Y41-F83 AromaticContact CE2-CE1 3.95Å; Y41-F83 HydrophobicContact CE2-CE1 3.95Å; Y41-F83 AromaticContact CE2-CZ 3.79Å; Y41-F83 HydrophobicContact CE2-CZ 3.79Å; Y41-F83 AromaticContact CZ-CZ 3.71Å; Y41-L159 HydrophobicContact CD1-CD2 4.23Å; Y41-L159 HydrophobicContact CE1-CD2 4.29Å; Y41-L352 HydrophobicContact CD2-CD2 4.38Å; Y41-V353 CarbonylContact C-O 3.56Å; Y41-V353 WeakPolarHBondContact CA-O 3.31Å
42	L	95.4	Very high	87.6	Confident	42 Å²	42	71.2 Å²	71.2	22%	0.22	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.2	161.8	-64.6	173.4	0	0	0	108	L322 L327 L352 V353 P355	L42-L322 VanDerWaalsContact CD1-O 3.25Å; L42-L322 WeakPolarHBondContact CD1-O 3.45Å; L42-L327 VanDerWaalsContact C-CD2 3.44Å; L42-L327 HydrophobicContact CB-CD1 4.34Å; L42-L327 HydrophobicContact CB-CD2 3.37Å; L42-L327 HydrophobicContact CB-CG 4.45Å; L42-L327 HydrophobicContact CD1-CD1 4.19Å; L42-L327 WeakPolarHBondContact O-CD2 2.71Å; L42-L352 CarbonylContact O-C 3.56Å; L42-L352 VanDerWaalsContact O-CA 3.29Å; L42-L352 WeakPolarHBondContact O-CA 3.23Å; L42-V353 PolarHBondContact N-O 2.88Å; L42-V353 PolarHBondContact O-N 3.17Å; L42-P355 HydrophobicContact CD1-CG 4.39Å; L42-P355 HydrophobicContact CG-CG 4.3Å
43	C	97.3	Very high	89.9	Confident	18 Å²	18	71.8 Å²	71.8	12%	0.122	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.4	-174.9	-177.8	0	0	0	0	110.5	Y41 F83 Q324 I350 L351 L352	Y41-C43 HydrophobicContact CD2-CB 4.04Å; Y41-C43 HydrophobicContact CE2-CB 3.93Å; C43-F83 HydrophobicContact CB-CE1 4.44Å; C43-Q324 PolarHBondContact O-NE2 2.81Å; C43-Q324 PolarHBondContact O-OE1 2.52Å; C43-I350 VanDerWaalsContact SG-CG2 3.55Å; C43-L351 CarbonylContact C-O 3.52Å; C43-L351 VanDerWaalsContact CA-O 3.31Å; C43-L351 WeakPolarHBondContact CA-O 3.46Å; C43-L352 HydrophobicContact CB-CG 4.41Å
44	S	98.2	Very high	92.1	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.014	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.1	170.1	165.7	0	0	0	0	109.8	D328 C331 I350 L351	S44-D328 WeakPolarHBondContact CB-OD1 3.45Å; S44-D328 WeakPolarHBondContact OG-CA 3.41Å; S44-D328 PolarHBondContact OG-OD1 2.76Å; S44-C331 WeakPolarHBondContact OG-CB 3.37Å; S44-I350 CarbonylContact O-C 3.52Å; S44-I350 WeakPolarHBondContact O-CA 3.45Å; S44-L351 PolarHBondContact N-O 3.36Å; S44-L351 PolarHBondContact O-N 3.15Å
45	V	98.4	Very high	93.8	Very high	41 Å²	41	71.8 Å²	71.8	25%	0.248	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.6	173.9	-166	0	0	0	0	109.9	H59 V61 C349 I350	V45-H59 HydrophobicContact CG1-CB 4.25Å; V45-H59 WeakPolarHBondContact CG1-CD2 3.38Å; V45-V61 HydrophobicContact CG2-CG2 3.5Å; V45-C349 WeakPolarHBondContact CA-O 3.48Å; V45-I350 HydrophobicContact CB-CG1 4.29Å; V45-I350 HydrophobicContact CG1-CG1 3.68Å; V45-I350 HydrophobicContact CG2-CB 4.36Å; V45-I350 HydrophobicContact CG2-CG1 3.81Å; V45-I350 HydrophobicContact CG2-CG2 4.13Å
46	V	98.2	Very high	94.7	Very high	27 Å²	27	67 Å²	67	16%	0.164	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.1	174.5	179.5	0	0	0	0	109.3	C331 V335 T348 C349	V46-C331 HydrophobicContact CG2-CB 3.89Å; V46-V335 HydrophobicContact CB-CB 4.42Å; V46-V335 HydrophobicContact CB-CG2 3.91Å; V46-V335 HydrophobicContact CG1-CB 3.91Å; V46-V335 HydrophobicContact CG1-CG1 4.02Å; V46-V335 HydrophobicContact CG1-CG2 3.92Å; V46-T348 CarbonylContact O-C 3.57Å; V46-T348 WeakPolarHBondContact O-CA 3.4Å; V46-C349 PolarHBondContact N-O 3.14Å; V46-C349 PolarHBondContact O-N 3.26Å
47	A	97.6	Very high	95.2	Very high	43 Å²	43	64.7 Å²	64.7	36%	0.355	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.6	180	0	0	0	0	0	110	M55 V347 T348	A47-M55 HydrophobicContact CB-CE 3.5Å; A47-V347 CarbonylContact C-O 3.53Å; A47-V347 WeakPolarHBondContact CA-O 3.5Å; A47-T348 HydrophobicContact CB-CG2 3.94Å
48	R	95.8	Very high	95.5	Very high	110 Å²	110	56 Å²	56	42%	0.415	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136.9	-177.2	-173.6	171.9	171.5	-174.9	-3.9	110.5	G50 V335 V339 N346 V347	R48-G50 VanDerWaalsContact C-N 3.3Å; R48-G50 PolarHBondContact O-N 3.33Å; R48-V335 HydrophobicContact CB-CG1 3.61Å; R48-V339 HydrophobicContact CG-CG2 4.43Å; R48-N346 CarbonylContact O-C 3.6Å; R48-N346 WeakPolarHBondContact O-CA 3.36Å; R48-V347 PolarHBondContact N-O 2.99Å; R48-V347 PolarHBondContact O-N 3.44Å
49	K	91.5	Very high	95.7	Very high	96 Å²	96	57 Å²	57	42%	0.417	29%	0.292	S	S	.	.			trans	-69.8	-18.1	-173.9	-162.3	177.8	70.1	162.3	0	115.3	R52 P53 E54 M55 N346	K49-R52 VanDerWaalsContact CE-O 3.27Å; K49-R52 WeakPolarHBondContact CE-O 3.25Å; K49-P53 PolarHBondContact NZ-O 3.45Å; K49-E54 WeakPolarHBondContact CG-O 3.45Å; K49-M55 HydrophobicContact CB-SD 4.44Å; K49-M55 HydrophobicContact CD-CB 4.37Å; K49-M55 HydrophobicContact CG-CB 4.12Å; K49-N346 WeakPolarHBondContact CA-ND2 3.39Å; K49-N346 PolarHBondContact O-ND2 2.9Å
50	G	87.8	Confident	95.9	Very high	23 Å²	23	57.7 Å²	57.7	24%	0.237	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	-140	-170.4	0	0	0	0	0	112.3	R48 D345	R48-G50 VanDerWaalsContact C-N 3.3Å; R48-G50 PolarHBondContact O-N 3.33Å; G50-D345 VanDerWaalsContact CA-O 3.31Å; G50-D345 WeakPolarHBondContact CA-O 3.3Å
51	E	91.2	Very high	96.1	Very high	143 Å²	143	56.8 Å²	56.8	67%	0.668	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-5.8	-179.7	-61.7	-175.6	173.5	0	0	113.6	G344	E51-G344 PolarHBondContact N-O 3.44Å; E51-G344 VanDerWaalsContact N-O 3.17Å
52	R	92.6	Very high	96.3	Very high	120 Å²	120	56.1 Å²	56.1	45%	0.453	29%	0.289	S	S	.	.	S	Bend	trans	-61.1	147.5	177	-63.4	-60.8	-165.5	164.7	-0.1	111.3	K49 E54 G344 D345	K49-R52 VanDerWaalsContact CE-O 3.27Å; K49-R52 WeakPolarHBondContact CE-O 3.25Å; R52-E54 VanDerWaalsContact C-N 3.27Å; R52-E54 WeakPolarHBondContact CB-O 3.32Å; R52-E54 PolarHBondContact O-N 3.37Å; R52-G344 WeakPolarHBondContact CG-O 3.33Å; R52-G344 PolarHBondContact N-O 2.97Å; R52-D345 WeakPolarHBondContact CG-OD1 3.4Å; R52-D345 IonicContact CZ-OD1 2.77Å; R52-D345 IonicContact CZ-OD2 2.7Å; R52-D345 IonicContact NE-OD1 3.01Å; R52-D345 PolarHBondContact NE-OD1 2.96Å; R52-D345 IonicContact NE-OD2 3.18Å; R52-D345 IonicContact NH2-OD1 3.29Å; R52-D345 PolarHBondContact NH2-OD1 3Å; R52-D345 IonicContact NH2-OD2 3.1Å; R52-D345 PolarHBondContact NH2-OD2 3.37Å
53	P	93.7	Very high	96.4	Very high	112 Å²	112	58.6 Å²	58.6	73%	0.727	30%	0.303	S	S	*	.	S	Bend	trans	-62.3	-37.1	175.2	24.3	-32.9	0	0	0	111.9	K49	K49-P53 PolarHBondContact NZ-O 3.45Å
54	E	96.3	Very high	96.4	Very high	104 Å²	104	60.9 Å²	60.9	49%	0.486	31%	0.313	S	S	.	.	S	Bend	trans	-121.4	155.6	-174.5	-62.9	-177.5	166.3	0	0	111.9	K49 R52 Q56 N346	K49-E54 WeakPolarHBondContact CG-O 3.45Å; R52-E54 VanDerWaalsContact C-N 3.27Å; R52-E54 WeakPolarHBondContact CB-O 3.32Å; R52-E54 PolarHBondContact O-N 3.37Å; E54-Q56 HydrophobicContact CB-CG 4.05Å; E54-Q56 PolarHBondContact OE2-NE2 3.45Å; E54-N346 PolarHBondContact O-ND2 3.46Å; E54-N346 PolarHBondContact O-OD1 2.93Å
55	M	97.7	Very high	96.4	Very high	66 Å²	66	60.8 Å²	60.8	33%	0.325	31%	0.313	S	S	.	.			trans	-94.6	105	165.7	-176.6	65.5	173.4	0	0	107.8	A47 K49 D57 N346	A47-M55 HydrophobicContact CB-CE 3.5Å; K49-M55 HydrophobicContact CB-SD 4.44Å; K49-M55 HydrophobicContact CD-CB 4.37Å; K49-M55 HydrophobicContact CG-CB 4.12Å; M55-D57 HydrophobicContact CE-CB 3.59Å; M55-D57 HydrophobicContact SD-CB 4.25Å; M55-N346 WeakPolarHBondContact CA-OD1 3.39Å; M55-N346 HydrophobicContact SD-CB 3.81Å; M55-N346 VanDerWaalsContact SD-CG 3.6Å
56	Q	98.3	Very high	96.4	Very high	37 Å²	37	60.9 Å²	60.9	17%	0.173	31%	0.311	C	S	.	.			trans	-101.5	-16.8	-178.4	-59	-171.6	-0.6	0	0	112.3	E54 G88 G91 A92 A95 N346	E54-Q56 HydrophobicContact CB-CG 4.05Å; E54-Q56 PolarHBondContact OE2-NE2 3.45Å; Q56-G88 VanDerWaalsContact CB-O 3.24Å; Q56-G88 WeakPolarHBondContact CB-O 3.5Å; Q56-G88 WeakPolarHBondContact O-CA 3.32Å; Q56-G88 PolarHBondContact OE1-O 3.29Å; Q56-G91 VanDerWaalsContact OE1-N 3.11Å; Q56-A92 HydrophobicContact CB-CB 4.38Å; Q56-A92 HydrophobicContact CG-CB 4.41Å; Q56-A95 VanDerWaalsContact O-CB 3.25Å; Q56-A95 WeakPolarHBondContact O-CB 3.29Å; Q56-N346 PolarHBondContact N-OD1 2.94Å
57	D	98.6	Very high	96.3	Very high	9 Å²	9	66.1 Å²	66.1	5%	0.048	33%	0.334	C	S	.	.			trans	-62.5	150.1	169.4	-71.1	6.9	0	0	0	112.3	M55 F86 C276 N346 T348	M55-D57 HydrophobicContact CE-CB 3.59Å; M55-D57 HydrophobicContact SD-CB 4.25Å; D57-F86 CarbonylContact C-O 3.55Å; D57-F86 VanDerWaalsContact CA-O 3.24Å; D57-F86 WeakPolarHBondContact CA-O 3.36Å; D57-C276 PolarHBondContact OD2-SG 2.94Å; D57-N346 HydrophobicContact CB-CB 4.35Å; D57-T348 VanDerWaalsContact CB-OG1 3.24Å; D57-T348 WeakPolarHBondContact CB-OG1 3.33Å; D57-T348 VanDerWaalsContact OD2-CB 3.32Å; D57-T348 WeakPolarHBondContact OD2-CB 3.38Å; D57-T348 PolarHBondContact OD2-OG1 3.34Å
58	S	98.8	Very high	96.3	Very high	10 Å²	10	66.5 Å²	66.5	7%	0.07	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154.3	166.8	-64.2	0	0	0	0	109.9	F86 N96	S58-F86 PolarHBondContact N-O 3.19Å; S58-F86 PolarHBondContact O-N 3.01Å; S58-N96 PolarHBondContact OG-OD1 3.47Å
59	H	98.8	Very high	96.3	Very high	74 Å²	74	61.8 Å²	61.8	34%	0.343	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161.3	176	61.4	-95.6	0	0	0	110.9	V45 A84 I85 C99 T348	V45-H59 HydrophobicContact CG1-CB 4.25Å; V45-H59 WeakPolarHBondContact CG1-CD2 3.38Å; H59-A84 CarbonylContact C-O 3.58Å; H59-A84 WeakPolarHBondContact CA-O 3.45Å; H59-A84 WeakPolarHBondContact CB-O 3.46Å; H59-I85 HydrophobicContact CB-CG1 4.16Å; H59-C99 PolarHBondContact O-SG 3.1Å; H59-T348 HydrophobicContact CB-CG2 3.99Å
60	I	98.7	Very high	96.3	Very high	31 Å²	31	67.1 Å²	67.1	16%	0.159	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	143.6	172.9	-170.1	171.8	0	0	0	110.7	V62 Y82 F83 A84 F86	I60-V62 HydrophobicContact CD1-CG2 3.79Å; I60-V62 HydrophobicContact CG1-CG2 3.84Å; I60-Y82 HydrophobicContact CG2-CD1 3.95Å; I60-Y82 HydrophobicContact CG2-CE1 3.55Å; I60-F83 WeakPolarHBondContact O-CA 3.31Å; I60-A84 HydrophobicContact CG2-CB 3.97Å; I60-A84 PolarHBondContact N-O 3.27Å; I60-A84 PolarHBondContact O-N 2.9Å; I60-F86 HydrophobicContact CG2-CE2 4.18Å
61	V	98.7	Very high	96.4	Very high	44 Å²	44	75.5 Å²	75.5	27%	0.267	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.9	170	177.2	0	0	0	0	107.2	V45 Y82 F83 I350	V45-V61 HydrophobicContact CG2-CG2 3.5Å; V61-Y82 CarbonylContact C-O 3.57Å; V61-F83 HydrophobicContact CB-CD1 4.33Å; V61-F83 HydrophobicContact CG1-CD1 3.73Å; V61-F83 HydrophobicContact CG1-CE1 3.65Å; V61-F83 HydrophobicContact CG2-CD1 4.06Å; V61-I350 HydrophobicContact CG2-CD1 4.27Å; V61-I350 HydrophobicContact CG2-CG2 4.45Å
62	V	98.5	Very high	96.5	Very high	26 Å²	26	70.6 Å²	70.6	16%	0.158	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	99.3	175.9	-173	0	0	0	0	107.3	I60 N64 L65 C81 Y82	I60-V62 HydrophobicContact CD1-CG2 3.79Å; I60-V62 HydrophobicContact CG1-CG2 3.84Å; V62-N64 VanDerWaalsContact C-N 3.29Å; V62-N64 PolarHBondContact O-N 3.34Å; V62-L65 HydrophobicContact CB-CD1 4.47Å; V62-L65 HydrophobicContact CG1-CB 4.24Å; V62-L65 HydrophobicContact CG1-CD1 3.94Å; V62-C81 CarbonylContact O-C 3.51Å; V62-C81 VanDerWaalsContact O-CA 3.25Å; V62-C81 WeakPolarHBondContact O-CA 3.49Å; V62-Y82 HydrophobicContact CG2-CD1 4.32Å; V62-Y82 PolarHBondContact N-O 2.89Å; V62-Y82 PolarHBondContact O-N 3.3Å
63	D	97.6	Very high	96.6	Very high	95 Å²	95	66.4 Å²	66.4	51%	0.508	33%	0.332	S	S	.	.	S	Bend	trans	-67.5	-30.3	-177.1	-66.9	-44.6	0	0	0	112.8	Y41 C81	Y41-D63 PolarHBondContact OH-OD1 3.26Å; D63-C81 PolarHBondContact O-SG 3.05Å
64	N	97.9	Very high	96.7	Very high	65 Å²	65	62.3 Å²	62.3	35%	0.348	31%	0.306	S	S	.	.			trans	-133	82.7	179.2	-170	9.5	0	0	0	111.8	V62 I66 E67	V62-N64 VanDerWaalsContact C-N 3.29Å; V62-N64 PolarHBondContact O-N 3.34Å; N64-I66 PolarHBondContact O-N 3.2Å; N64-I66 WeakPolarHBondContact OD1-CB 3.35Å; N64-I66 PolarHBondContact OD1-N 3.09Å; N64-E67 WeakPolarHBondContact ND2-CG 3.02Å; N64-E67 PolarHBondContact ND2-OE1 3.27Å; N64-E67 PolarHBondContact O-N 3.27Å
65	L	98.2	Very high	96.6	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-69.6	-18.9	177.6	-166.7	68.6	0	0	0	112.5	V62 E67 L68 M69 V80 H103 I106 A107 L158	V62-L65 HydrophobicContact CB-CD1 4.47Å; V62-L65 HydrophobicContact CG1-CB 4.24Å; V62-L65 HydrophobicContact CG1-CD1 3.94Å; L65-E67 PolarHBondContact O-N 2.87Å; L65-L68 HydrophobicContact CD1-CD1 3.95Å; L65-L68 PolarHBondContact O-N 3.04Å; L65-M69 HydrophobicContact CB-CE 4.34Å; L65-M69 HydrophobicContact CD2-CE 3.88Å; L65-M69 HydrophobicContact CG-CE 4Å; L65-V80 HydrophobicContact CB-CB 4.31Å; L65-V80 HydrophobicContact CB-CG1 4.03Å; L65-V80 WeakPolarHBondContact CB-O 3.4Å; L65-V80 HydrophobicContact CD2-CG1 4.09Å; L65-V80 PolarHBondContact N-O 3.12Å; L65-H103 HydrophobicContact CD1-CB 4.09Å; L65-I106 HydrophobicContact CD2-CG2 4.29Å; L65-A107 HydrophobicContact CD1-CB 4.22Å; L65-A107 HydrophobicContact CD2-CB 4.39Å; L65-A107 HydrophobicContact CG-CB 4.09Å; L65-L158 HydrophobicContact CD2-CD1 3.62Å
66	I	97.7	Very high	96.6	Very high	43 Å²	43	67.1 Å²	67.1	22%	0.221	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58.5	-30.5	179.1	-59.6	174.2	0	0	0	110.8	N64 L68 M69 V73 V80	N64-I66 PolarHBondContact O-N 3.2Å; N64-I66 WeakPolarHBondContact OD1-CB 3.35Å; N64-I66 PolarHBondContact OD1-N 3.09Å; I66-L68 PolarHBondContact O-N 3.3Å; I66-L68 VanDerWaalsContact O-N 3.15Å; I66-M69 WeakPolarHBondContact O-CA 3.11Å; I66-M69 WeakPolarHBondContact O-CB 3.2Å; I66-M69 PolarHBondContact O-N 3.07Å; I66-V73 HydrophobicContact CD1-CG2 4.18Å; I66-V73 HydrophobicContact CG1-CG2 4.4Å; I66-V73 HydrophobicContact CG2-CG1 4.48Å; I66-V73 HydrophobicContact CG2-CG2 3.9Å; I66-V80 HydrophobicContact CD1-CG2 4.17Å; I66-V80 HydrophobicContact CG1-CB 3.89Å; I66-V80 HydrophobicContact CG1-CG2 3.79Å
67	E	96.5	Very high	96.5	Very high	138 Å²	138	65.7 Å²	65.7	65%	0.645	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-59.2	-25.8	176.3	-72.7	172.4	-163.4	0	0	113.6	N64 L65	N64-E67 WeakPolarHBondContact ND2-CG 3.02Å; N64-E67 PolarHBondContact ND2-OE1 3.27Å; N64-E67 PolarHBondContact O-N 3.27Å; L65-E67 PolarHBondContact O-N 2.87Å
68	L	96.9	Very high	96.4	Very high	50 Å²	50	68.1 Å²	68.1	26%	0.262	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-89.8	-4.5	175.5	-60.1	-175.1	0	0	0	113.2	L65 I66 Y70 A107	L65-L68 HydrophobicContact CD1-CD1 3.95Å; L65-L68 PolarHBondContact O-N 3.04Å; I66-L68 PolarHBondContact O-N 3.3Å; I66-L68 VanDerWaalsContact O-N 3.15Å; L68-Y70 WeakPolarHBondContact O-CD2 3.45Å; L68-Y70 PolarHBondContact O-N 3.31Å; L68-A107 HydrophobicContact CB-CB 3.67Å
69	M	96.5	Very high	96.4	Very high	12 Å²	12	69 Å²	69	6%	0.059	35%	0.349	C	S	.	.			trans	-95.5	67.3	-178.7	-56.3	-177	-173.4	0	0	110.5	L65 I66 R71 G72 V73 V80 A107 F110	L65-M69 HydrophobicContact CB-CE 4.34Å; L65-M69 HydrophobicContact CD2-CE 3.88Å; L65-M69 HydrophobicContact CG-CE 4Å; I66-M69 WeakPolarHBondContact O-CA 3.11Å; I66-M69 WeakPolarHBondContact O-CB 3.2Å; I66-M69 PolarHBondContact O-N 3.07Å; M69-R71 PolarHBondContact O-N 2.71Å; M69-G72 PolarHBondContact O-N 3.42Å; M69-V73 HydrophobicContact CB-CG1 4.28Å; M69-V73 HydrophobicContact SD-CG1 3.35Å; M69-V73 WeakPolarHBondContact SD-CG1 3.43Å; M69-V80 HydrophobicContact CE-CB 4.14Å; M69-V80 HydrophobicContact CE-CG1 3.85Å; M69-V80 HydrophobicContact CE-CG2 4.2Å; M69-A107 HydrophobicContact CG-CB 3.97Å; M69-F110 HydrophobicContact CE-CB 3.67Å; M69-F110 HydrophobicContact CE-CD1 3.85Å; M69-F110 HydrophobicContact CE-CD2 3.68Å; M69-F110 HydrophobicContact CE-CE1 4.42Å; M69-F110 HydrophobicContact CE-CE2 4.29Å; M69-F110 HydrophobicContact CE-CG 3.43Å; M69-F110 VanDerWaalsContact CE-CG 3.43Å; M69-F110 HydrophobicContact CG-CB 4.43Å; M69-F110 HydrophobicContact SD-CB 3.7Å; M69-F110 HydrophobicContact SD-CD1 3.49Å; M69-F110 WeakPolarHBondContact SD-CD1 3.2Å; M69-F110 HydrophobicContact SD-CD2 4.42Å; M69-F110 HydrophobicContact SD-CE1 4.21Å; M69-F110 HydrophobicContact SD-CG 3.61Å
70	Y	91	Very high	96.4	Very high	208 Å²	208	65.4 Å²	65.4	82%	0.816	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-15.9	-175.5	-55.8	-76.9	0	0	0	115.9	L68 G72	L68-Y70 WeakPolarHBondContact O-CD2 3.45Å; L68-Y70 PolarHBondContact O-N 3.31Å; Y70-G72 VanDerWaalsContact C-N 3.32Å
71	R	90.2	Very high	96.4	Very high	198 Å²	198	64 Å²	64	75%	0.747	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.5	176.6	-64.6	-178.1	175.3	-175.5	-1.8	113.5	M69	M69-R71 PolarHBondContact O-N 2.71Å
72	G	92.4	Very high	96.4	Very high	40 Å²	40	61.9 Å²	61.9	41%	0.412	31%	0.313	S	S	.	.			trans	77.7	167.1	-174.5	0	0	0	0	0	113.6	M69 Y70	M69-G72 PolarHBondContact O-N 3.42Å; Y70-G72 VanDerWaalsContact C-N 3.32Å
73	V	95.6	Very high	96.4	Very high	32 Å²	32	60.6 Å²	60.6	19%	0.194	31%	0.305	C	S	.	.			trans	-126.3	160.6	173.4	-63.9	0	0	0	0	109.5	I66 M69 I77 F110	I66-V73 HydrophobicContact CD1-CG2 4.18Å; I66-V73 HydrophobicContact CG1-CG2 4.4Å; I66-V73 HydrophobicContact CG2-CG1 4.48Å; I66-V73 HydrophobicContact CG2-CG2 3.9Å; M69-V73 HydrophobicContact CB-CG1 4.28Å; M69-V73 HydrophobicContact SD-CG1 3.35Å; M69-V73 WeakPolarHBondContact SD-CG1 3.43Å; V73-I77 HydrophobicContact CB-CB 4.39Å; V73-I77 HydrophobicContact CB-CD1 4.4Å; V73-I77 HydrophobicContact CG2-CB 4.29Å; V73-I77 HydrophobicContact CG2-CG2 4.45Å; V73-F110 HydrophobicContact CG1-CD1 3.9Å; V73-F110 HydrophobicContact CG1-CE1 4.02Å
74	S	96.1	Very high	96.4	Very high	26 Å²	26	56.1 Å²	56.1	18%	0.182	28%	0.281	C	S	.	.			trans	-59	147.5	173.8	176.2	0	0	0	0	111.6	E76 I77 R112 G113	S74-E76 PolarHBondContact O-N 2.93Å; S74-E76 VanDerWaalsContact O-N 3.13Å; S74-E76 PolarHBondContact OG-N 3.12Å; S74-I77 WeakPolarHBondContact O-CB 3.27Å; S74-I77 PolarHBondContact O-N 3.45Å; S74-R112 PolarHBondContact N-O 3.42Å; S74-G113 WeakPolarHBondContact CB-O 3.37Å
75	N	94.8	Very high	96.5	Very high	170 Å²	170	53 Å²	53	91%	0.909	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.1	174.1	-67.8	-14.3	0	0	0	113.2	I77	N75-I77 PolarHBondContact O-N 3.33Å
76	E	96	Very high	96.5	Very high	101 Å²	101	53 Å²	53	47%	0.472	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.1	170.8	-66.8	172.1	-136.2	0	0	112.9	S74 G114 M115 N161	S74-E76 PolarHBondContact O-N 2.93Å; S74-E76 VanDerWaalsContact O-N 3.13Å; S74-E76 PolarHBondContact OG-N 3.12Å; E76-G114 WeakPolarHBondContact OE2-CA 3.43Å; E76-M115 PolarHBondContact OE2-N 2.87Å; E76-N161 PolarHBondContact O-ND2 3.04Å
77	I	97.4	Very high	96.6	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.041	26%	0.257	C	S	.	.			trans	-103.8	94	-175.1	-55.1	177	0	0	0	108.4	V73 S74 N75 V80 F110 V118 V160	V73-I77 HydrophobicContact CB-CB 4.39Å; V73-I77 HydrophobicContact CB-CD1 4.4Å; V73-I77 HydrophobicContact CG2-CB 4.29Å; V73-I77 HydrophobicContact CG2-CG2 4.45Å; S74-I77 WeakPolarHBondContact O-CB 3.27Å; S74-I77 PolarHBondContact O-N 3.45Å; N75-I77 PolarHBondContact O-N 3.33Å; I77-V80 HydrophobicContact CG2-CG2 3.58Å; I77-F110 HydrophobicContact CD1-CE1 3.65Å; I77-F110 HydrophobicContact CD1-CZ 4.08Å; I77-V118 HydrophobicContact CD1-CG2 3.55Å; I77-V160 HydrophobicContact CG2-CG1 3.94Å
78	A	97	Very high	96.7	Very high	59 Å²	59	45.3 Å²	45.3	49%	0.488	23%	0.229	S	C	.	.			trans	-82	-23.2	179.9	0	0	0	0	0	113.2	L38 N161	L38-A78 HydrophobicContact CD1-CB 4.12Å; L38-A78 HydrophobicContact CD2-CB 4.31Å; L38-A78 HydrophobicContact CG-CB 4.41Å; A78-N161 PolarHBondContact N-OD1 3.06Å
79	R	97.5	Very high	96.7	Very high	28 Å²	28	45.1 Å²	45.1	11%	0.106	23%	0.227	C	C	.	.			trans	-148.1	139.2	-178.1	176.6	173.7	70.1	-170	0.7	112.2	L38 I39 C81 V160 N161 N162	L38-R79 HydrophobicContact CD1-CB 3.72Å; L38-R79 HydrophobicContact CD2-CB 4.15Å; I39-R79 PolarHBondContact O-NH1 3.41Å; I39-R79 PolarHBondContact O-NH2 3.28Å; R79-C81 WeakPolarHBondContact CD-SG 3.49Å; R79-C81 WeakPolarHBondContact CG-SG 3.3Å; R79-V160 CarbonylContact O-C 3.57Å; R79-V160 WeakPolarHBondContact O-CA 3.19Å; R79-N161 VanDerWaalsContact CZ-O 3.26Å; R79-N161 PolarHBondContact N-OD1 2.66Å; R79-N161 VanDerWaalsContact N-OD1 3.09Å; R79-N161 PolarHBondContact NE-O 3.5Å; R79-N161 PolarHBondContact NH2-O 3.43Å; R79-N161 PolarHBondContact O-N 3.02Å; R79-N162 PolarHBondContact NH2-OD1 3.46Å
80	V	98.5	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	114.7	162.2	-172	0	0	0	0	109.4	L65 I66 M69 I77 F110 L158 L159 V160	L65-V80 HydrophobicContact CB-CB 4.31Å; L65-V80 HydrophobicContact CB-CG1 4.03Å; L65-V80 WeakPolarHBondContact CB-O 3.4Å; L65-V80 HydrophobicContact CD2-CG1 4.09Å; L65-V80 PolarHBondContact N-O 3.12Å; I66-V80 HydrophobicContact CD1-CG2 4.17Å; I66-V80 HydrophobicContact CG1-CB 3.89Å; I66-V80 HydrophobicContact CG1-CG2 3.79Å; M69-V80 HydrophobicContact CE-CB 4.14Å; M69-V80 HydrophobicContact CE-CG1 3.85Å; M69-V80 HydrophobicContact CE-CG2 4.2Å; I77-V80 HydrophobicContact CG2-CG2 3.58Å; V80-F110 HydrophobicContact CG1-CE2 4.39Å; V80-F110 HydrophobicContact CG2-CE1 4.35Å; V80-F110 HydrophobicContact CG2-CE2 4.39Å; V80-F110 HydrophobicContact CG2-CZ 3.95Å; V80-L158 HydrophobicContact CG1-CD1 3.57Å; V80-L158 HydrophobicContact CG1-CD2 4.41Å; V80-L158 HydrophobicContact CG1-CG 3.97Å; V80-L159 CarbonylContact C-O 3.48Å; V80-L159 VanDerWaalsContact CA-O 3.26Å; V80-L159 WeakPolarHBondContact CA-O 3.23Å; V80-V160 HydrophobicContact CG1-CG2 4.31Å; V80-V160 HydrophobicContact CG2-CG1 4.4Å; V80-V160 HydrophobicContact CG2-CG2 4.46Å
81	C	98.7	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.2	174	-43.8	0	0	0	0	110.3	Y41 V62 D63 R79 F83 L158 L159	Y41-C81 PolarHBondContact OH-SG 3.05Å; Y41-C81 VanDerWaalsContact OH-SG 3.4Å; V62-C81 CarbonylContact O-C 3.51Å; V62-C81 VanDerWaalsContact O-CA 3.25Å; V62-C81 WeakPolarHBondContact O-CA 3.49Å; D63-C81 PolarHBondContact O-SG 3.05Å; R79-C81 WeakPolarHBondContact CD-SG 3.49Å; R79-C81 WeakPolarHBondContact CG-SG 3.3Å; C81-F83 HydrophobicContact CB-CD2 4.47Å; C81-F83 HydrophobicContact CB-CE2 3.5Å; C81-F83 VanDerWaalsContact CB-CE2 3.5Å; C81-F83 HydrophobicContact CB-CZ 3.58Å; C81-L158 CarbonylContact O-C 3.38Å; C81-L158 WeakPolarHBondContact O-CA 3.41Å; C81-L159 HydrophobicContact CB-CB 4.16Å; C81-L159 PolarHBondContact N-O 3.29Å; C81-L159 PolarHBondContact O-N 2.72Å
82	Y	98.9	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.3	175.1	177.4	-97.2	0	0	0	111.1	I60 V61 V62 A84 L102 H103 I106 T156 I157 L158	I60-Y82 HydrophobicContact CG2-CD1 3.95Å; I60-Y82 HydrophobicContact CG2-CE1 3.55Å; V61-Y82 CarbonylContact C-O 3.57Å; V62-Y82 HydrophobicContact CG2-CD1 4.32Å; V62-Y82 PolarHBondContact N-O 2.89Å; V62-Y82 PolarHBondContact O-N 3.3Å; Y82-A84 HydrophobicContact CD1-CB 4.42Å; Y82-A84 HydrophobicContact CE1-CB 3.51Å; Y82-A84 HydrophobicContact CE2-CB 4.48Å; Y82-A84 WeakPolarHBondContact OH-CB 3.2Å; Y82-L102 VanDerWaalsContact OH-CD2 3.29Å; Y82-L102 WeakPolarHBondContact OH-CD2 3.44Å; Y82-H103 HydrophobicContact CD1-CB 3.58Å; Y82-H103 HydrophobicContact CE1-CB 3.65Å; Y82-H103 HydrophobicContact CG-CB 4.03Å; Y82-I106 HydrophobicContact CD2-CD1 4.21Å; Y82-I106 HydrophobicContact CE2-CD1 3.69Å; Y82-T156 HydrophobicContact CE2-CG2 4.22Å; Y82-T156 VanDerWaalsContact OH-CG2 3.29Å; Y82-T156 WeakPolarHBondContact OH-CG2 3.33Å; Y82-I157 WeakPolarHBondContact CA-O 3.45Å; Y82-L158 HydrophobicContact CD2-CD1 4.28Å
83	F	98.9	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.7	177.6	-47.2	-90.5	0	0	0	108.2	Y41 C43 I60 V61 C81 T156 I157 L159 I274 I350 L352	Y41-F83 HydrophobicContact CD2-CZ 4.47Å; Y41-F83 HydrophobicContact CE1-CZ 4.32Å; Y41-F83 AromaticContact CE2-CE1 3.95Å; Y41-F83 HydrophobicContact CE2-CE1 3.95Å; Y41-F83 AromaticContact CE2-CZ 3.79Å; Y41-F83 HydrophobicContact CE2-CZ 3.79Å; Y41-F83 AromaticContact CZ-CZ 3.71Å; C43-F83 HydrophobicContact CB-CE1 4.44Å; I60-F83 WeakPolarHBondContact O-CA 3.31Å; V61-F83 HydrophobicContact CB-CD1 4.33Å; V61-F83 HydrophobicContact CG1-CD1 3.73Å; V61-F83 HydrophobicContact CG1-CE1 3.65Å; V61-F83 HydrophobicContact CG2-CD1 4.06Å; C81-F83 HydrophobicContact CB-CD2 4.47Å; C81-F83 HydrophobicContact CB-CE2 3.5Å; C81-F83 VanDerWaalsContact CB-CE2 3.5Å; C81-F83 HydrophobicContact CB-CZ 3.58Å; F83-T156 CarbonylContact O-C 3.57Å; F83-T156 VanDerWaalsContact O-CA 3.29Å; F83-T156 WeakPolarHBondContact O-CA 3.18Å; F83-I157 HydrophobicContact CB-CB 4.39Å; F83-I157 HydrophobicContact CD2-CB 4.15Å; F83-I157 HydrophobicContact CD2-CG2 4.18Å; F83-I157 PolarHBondContact N-O 3.36Å; F83-I157 PolarHBondContact O-N 3.28Å; F83-L159 HydrophobicContact CE2-CB 4.15Å; F83-L159 HydrophobicContact CE2-CD2 4.44Å; F83-I274 HydrophobicContact CB-CD1 3.51Å; F83-I274 HydrophobicContact CG-CD1 4.49Å; F83-I350 HydrophobicContact CB-CD1 4.4Å; F83-L352 HydrophobicContact CD1-CD1 4.4Å; F83-L352 HydrophobicContact CD1-CD2 3.84Å; F83-L352 HydrophobicContact CD1-CG 4.34Å; F83-L352 HydrophobicContact CD2-CD2 3.92Å; F83-L352 HydrophobicContact CE1-CD2 3.53Å; F83-L352 HydrophobicContact CE1-CG 4.25Å; F83-L352 HydrophobicContact CE2-CD2 3.61Å; F83-L352 HydrophobicContact CG-CD1 4.5Å; F83-L352 HydrophobicContact CG-CD2 4.04Å; F83-L352 HydrophobicContact CZ-CD2 3.42Å; F83-L352 VanDerWaalsContact CZ-CD2 3.42Å
84	A	98.9	Very high	97.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	144.2	179.5	0	0	0	0	0	113.2	H59 I60 Y82 F86 A155 T156	H59-A84 CarbonylContact C-O 3.58Å; H59-A84 WeakPolarHBondContact CA-O 3.45Å; H59-A84 WeakPolarHBondContact CB-O 3.46Å; I60-A84 HydrophobicContact CG2-CB 3.97Å; I60-A84 PolarHBondContact N-O 3.27Å; I60-A84 PolarHBondContact O-N 2.9Å; Y82-A84 HydrophobicContact CD1-CB 4.42Å; Y82-A84 HydrophobicContact CE1-CB 3.51Å; Y82-A84 HydrophobicContact CE2-CB 4.48Å; Y82-A84 WeakPolarHBondContact OH-CB 3.2Å; A84-F86 HydrophobicContact CB-CD2 4.4Å; A84-F86 HydrophobicContact CB-CE2 3.53Å; A84-F86 HydrophobicContact CB-CZ 3.61Å; A84-A155 WeakPolarHBondContact CA-O 3.46Å; A84-T156 HydrophobicContact CB-CG2 3.67Å
85	I	98.9	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.2	163.4	-68.4	179.1	0	0	0	108.3	H59 A154 A155 I274 C276 T348 I350	H59-I85 HydrophobicContact CB-CG1 4.16Å; I85-A154 WeakPolarHBondContact O-CA 3.41Å; I85-A155 PolarHBondContact N-O 2.94Å; I85-A155 PolarHBondContact O-N 3.44Å; I85-I274 HydrophobicContact CB-CG2 4.23Å; I85-I274 HydrophobicContact CD1-CB 4.23Å; I85-I274 HydrophobicContact CD1-CG2 4Å; I85-I274 WeakPolarHBondContact CD1-O 3.5Å; I85-I274 HydrophobicContact CG1-CG2 4.07Å; I85-C276 HydrophobicContact CG2-CB 4.1Å; I85-T348 HydrophobicContact CD1-CG2 3.82Å; I85-T348 WeakPolarHBondContact CD1-O 3.31Å; I85-T348 HydrophobicContact CG1-CG2 4.02Å; I85-T348 HydrophobicContact CG2-CG2 4.37Å; I85-I350 HydrophobicContact CD1-CD1 4.34Å; I85-I350 HydrophobicContact CD1-CG1 3.99Å; I85-I350 HydrophobicContact CG1-CD1 3.78Å; I85-I350 HydrophobicContact CG1-CG1 3.94Å
86	F	98.9	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107	176.8	-54.6	-84.3	0	0	0	107.4	D57 S58 I60 A84 A95 A98 C99 L102 T153 A154 F244	D57-F86 CarbonylContact C-O 3.55Å; D57-F86 VanDerWaalsContact CA-O 3.24Å; D57-F86 WeakPolarHBondContact CA-O 3.36Å; S58-F86 PolarHBondContact N-O 3.19Å; S58-F86 PolarHBondContact O-N 3.01Å; I60-F86 HydrophobicContact CG2-CE2 4.18Å; A84-F86 HydrophobicContact CB-CD2 4.4Å; A84-F86 HydrophobicContact CB-CE2 3.53Å; A84-F86 HydrophobicContact CB-CZ 3.61Å; F86-A95 HydrophobicContact CB-CB 3.85Å; F86-A98 HydrophobicContact CD1-CB 3.56Å; F86-A98 HydrophobicContact CE1-CB 3.52Å; F86-A98 HydrophobicContact CG-CB 4.29Å; F86-A98 HydrophobicContact CZ-CB 4.22Å; F86-C99 HydrophobicContact CD2-CB 3.77Å; F86-C99 HydrophobicContact CE2-CB 3.77Å; F86-L102 HydrophobicContact CE1-CD2 3.88Å; F86-L102 HydrophobicContact CZ-CD2 4.13Å; F86-T153 WeakPolarHBondContact CA-O 3.39Å; F86-A154 HydrophobicContact CD1-CB 3.67Å; F86-A154 HydrophobicContact CE1-CB 3.72Å; F86-F244 HydrophobicContact CE1-CE2 4.31Å
87	D	98.6	Very high	98.3	Very high	13 Å²	13	19.8 Å²	19.8	7%	0.07	13%	0.126	C	C	.	.			trans	-83.1	123	173	-168.5	-26.6	0	0	0	107.7	S152 T153 C276	D87-S152 CarbonylContact O-C 3.49Å; D87-S152 WeakPolarHBondContact O-CA 3.39Å; D87-S152 WeakPolarHBondContact O-CB 3.44Å; D87-S152 PolarHBondContact O-OG 2.97Å; D87-T153 HydrophobicContact CB-CG2 4.19Å; D87-T153 WeakPolarHBondContact CB-OG1 3.44Å; D87-T153 PolarHBondContact N-OG1 3.28Å; D87-T153 PolarHBondContact O-N 3Å; D87-C276 HydrophobicContact CB-CB 3.99Å; D87-C276 WeakPolarHBondContact OD2-CB 3.28Å
88	G	98.6	Very high	98.4	Very high	6 Å²	6	19.4 Å²	19.4	6%	0.062	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	143.4	-171.7	0	0	0	0	0	112.2	Q56	Q56-G88 VanDerWaalsContact CB-O 3.24Å; Q56-G88 WeakPolarHBondContact CB-O 3.5Å; Q56-G88 WeakPolarHBondContact O-CA 3.32Å; Q56-G88 PolarHBondContact OE1-O 3.29Å
89	H	97.8	Very high	98.5	Very high	47 Å²	47	17.5 Å²	17.5	22%	0.218	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149	175.7	58.2	-95.9	0	0	0	112.2	G91 D150 G151 L238 D246	H89-G91 PolarHBondContact O-N 2.79Å; H89-D150 WeakPolarHBondContact O-CA 3.46Å; H89-G151 VanDerWaalsContact CE1-C 3.43Å; H89-G151 PolarHBondContact N-O 2.9Å; H89-G151 WeakPolarHBondContact NE2-CA 3.48Å; H89-G151 PolarHBondContact O-N 2.88Å; H89-L238 VanDerWaalsContact NE2-CD1 3.25Å; H89-L238 WeakPolarHBondContact NE2-CD1 3.28Å; H89-D246 IonicContact CD2-OD1 2.95Å; H89-D246 IonicContact CE1-OD2 2.74Å; H89-D246 PolarHBondContact CE1-OD2 3.36Å; H89-D246 VanDerWaalsContact CE1-OD2 3.29Å; H89-D246 IonicContact NE2-OD1 3.2Å; H89-D246 PolarHBondContact NE2-OD1 2.99Å; H89-D246 IonicContact NE2-OD2 3.41Å; H89-D246 PolarHBondContact NE2-OD2 2.87Å
90	G	96.7	Very high	98.6	Very high	60 Å²	60	22.5 Å²	22.5	62%	0.619	13%	0.129	S	C	*	.	S	Bend	trans	70.2	12	-174.2	0	0	0	0	0	113.8
91	G	97.7	Very high	98.6	Very high	6 Å²	6	27.5 Å²	27.5	6%	0.062	15%	0.148	C	C	.	.	S	Bend	trans	128.5	164.6	-176.9	0	0	0	0	0	112.1	Q56 H89 D150	Q56-G91 VanDerWaalsContact OE1-N 3.11Å; H89-G91 PolarHBondContact O-N 2.79Å; G91-D150 WeakPolarHBondContact CA-OD1 3.1Å
92	A	98.3	Very high	98.6	Very high	22 Å²	22	27.5 Å²	27.5	18%	0.182	15%	0.148	C	C	.	.	S	Bend	trans	-86.4	-1.5	-173.8	0	0	0	0	0	114.5	Q56 N96 D150	Q56-A92 HydrophobicContact CB-CB 4.38Å; Q56-A92 HydrophobicContact CG-CB 4.41Å; A92-N96 WeakPolarHBondContact CB-ND2 3.25Å; A92-N96 VanDerWaalsContact O-CB 3.27Å; A92-N96 WeakPolarHBondContact O-CB 3.13Å; A92-N96 PolarHBondContact O-N 3.26Å; A92-N96 PolarHBondContact O-ND2 2.92Å; A92-D150 PolarHBondContact N-OD1 3.28Å
93	K	98.7	Very high	98.6	Very high	80 Å²	80	28.3 Å²	28.3	35%	0.348	15%	0.152	S	C	.	.	H	α-helix	trans	-71.5	-39.7	-165.9	-61.9	176.7	-142.3	69.5	0	112.7	F97 F137 W148 D150	K93-F97 VanDerWaalsContact O-CB 3.24Å; K93-F97 WeakPolarHBondContact O-CB 3.32Å; K93-F97 PolarHBondContact O-N 2.91Å; K93-F137 HydrophobicContact CB-CE2 4.01Å; K93-F137 HydrophobicContact CB-CZ 4.26Å; K93-W148 HydrophobicContact CB-CE3 4.42Å; K93-W148 HydrophobicContact CD-CD2 3.41Å; K93-W148 VanDerWaalsContact CD-CD2 3.41Å; K93-W148 HydrophobicContact CD-CE3 3.78Å; K93-W148 HydrophobicContact CD-CG 3.87Å; K93-W148 HydrophobicContact CD-CH2 4.07Å; K93-W148 HydrophobicContact CD-CZ2 3.7Å; K93-W148 HydrophobicContact CD-CZ3 4.1Å; K93-D150 HydrophobicContact CB-CB 4.27Å; K93-D150 VanDerWaalsContact CB-OD1 3.24Å; K93-D150 WeakPolarHBondContact CB-OD1 3.46Å; K93-D150 VanDerWaalsContact CG-OD1 3.3Å; K93-D150 WeakPolarHBondContact CG-OD1 3.46Å; K93-D150 PolarHBondContact N-OD1 2.82Å; K93-D150 VanDerWaalsContact NZ-CG 3.26Å; K93-D150 IonicContact NZ-OD1 3.12Å; K93-D150 PolarHBondContact NZ-OD1 3.3Å; K93-D150 IonicContact NZ-OD2 3.26Å; K93-D150 PolarHBondContact NZ-OD2 2.78Å
94	A	98.8	Very high	98.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-47.9	178.5	0	0	0	0	0	111.2	F97 A98 F137 D150 G151	A94-F97 PolarHBondContact O-N 3.4Å; A94-A98 WeakPolarHBondContact O-CB 3.45Å; A94-A98 PolarHBondContact O-N 2.86Å; A94-F137 HydrophobicContact CB-CD1 4.25Å; A94-F137 HydrophobicContact CB-CE1 3.65Å; A94-F137 HydrophobicContact CB-CE2 4.27Å; A94-F137 HydrophobicContact CB-CZ 3.66Å; A94-D150 HydrophobicContact CB-CB 4.03Å; A94-G151 VanDerWaalsContact CB-C 3.49Å
95	A	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-48.4	176.9	0	0	0	0	0	111.7	Q56 F86 F97 A98 C99 S152	Q56-A95 VanDerWaalsContact O-CB 3.25Å; Q56-A95 WeakPolarHBondContact O-CB 3.29Å; F86-A95 HydrophobicContact CB-CB 3.85Å; A95-F97 VanDerWaalsContact C-N 3.33Å; A95-F97 PolarHBondContact O-N 2.69Å; A95-A98 PolarHBondContact O-N 2.88Å; A95-C99 VanDerWaalsContact O-CB 3.24Å; A95-C99 WeakPolarHBondContact O-CB 3.31Å; A95-C99 PolarHBondContact O-N 3.32Å; A95-S152 WeakPolarHBondContact CA-OG 3.36Å; A95-S152 WeakPolarHBondContact CB-OG 3.06Å
96	N	98.9	Very high	98.6	Very high	64 Å²	64	32.7 Å²	32.7	34%	0.342	17%	0.172	S	C	.	.	H	α-helix	trans	-62.4	-38.3	177.1	-82.6	-61.6	0	0	0	112.8	S58 A92 K100	S58-N96 PolarHBondContact OG-OD1 3.47Å; A92-N96 WeakPolarHBondContact CB-ND2 3.25Å; A92-N96 VanDerWaalsContact O-CB 3.27Å; A92-N96 WeakPolarHBondContact O-CB 3.13Å; A92-N96 PolarHBondContact O-N 3.26Å; A92-N96 PolarHBondContact O-ND2 2.92Å; N96-K100 WeakPolarHBondContact O-CB 3.39Å; N96-K100 VanDerWaalsContact O-CG 3.27Å; N96-K100 WeakPolarHBondContact O-CG 3.49Å; N96-K100 PolarHBondContact O-N 3.1Å; N96-K100 VanDerWaalsContact O-N 3.16Å
97	F	98.9	Very high	98.5	Very high	21 Å²	21	33 Å²	33	9%	0.092	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-48.5	177.8	-171.2	-82.9	0	0	0	110.9	K93 A94 A95 C99 K100 R101 T133 E136 F137 E140	K93-F97 VanDerWaalsContact O-CB 3.24Å; K93-F97 WeakPolarHBondContact O-CB 3.32Å; K93-F97 PolarHBondContact O-N 2.91Å; A94-F97 PolarHBondContact O-N 3.4Å; A95-F97 VanDerWaalsContact C-N 3.33Å; A95-F97 PolarHBondContact O-N 2.69Å; F97-C99 PolarHBondContact O-N 2.91Å; F97-K100 PolarHBondContact O-N 3.28Å; F97-R101 HydrophobicContact CD1-CB 4.34Å; F97-R101 HydrophobicContact CD1-CG 4.04Å; F97-R101 HydrophobicContact CE1-CB 4.05Å; F97-R101 HydrophobicContact CE1-CG 3.68Å; F97-R101 HydrophobicContact CE2-CG 4.26Å; F97-R101 HydrophobicContact CG-CG 4.47Å; F97-R101 HydrophobicContact CZ-CG 3.8Å; F97-R101 WeakPolarHBondContact O-CB 3.38Å; F97-R101 WeakPolarHBondContact O-CG 3.37Å; F97-R101 PolarHBondContact O-N 2.96Å; F97-T133 HydrophobicContact CD1-CG2 4.1Å; F97-T133 HydrophobicContact CE1-CG2 4.19Å; F97-T133 WeakPolarHBondContact CE1-O 3.4Å; F97-E136 HydrophobicContact CE1-CB 3.95Å; F97-E136 HydrophobicContact CZ-CB 3.66Å; F97-F137 HydrophobicContact CB-CD2 3.6Å; F97-F137 HydrophobicContact CB-CE2 4.21Å; F97-F137 HydrophobicContact CB-CG 4.38Å; F97-F137 HydrophobicContact CD1-CB 3.67Å; F97-F137 HydrophobicContact CD1-CD2 4.18Å; F97-F137 HydrophobicContact CD1-CG 4.32Å; F97-F137 AromaticContact CD2-CD2 3.98Å; F97-F137 HydrophobicContact CD2-CD2 3.98Å; F97-F137 HydrophobicContact CE1-CB 3.9Å; F97-F137 HydrophobicContact CG-CB 4.03Å; F97-F137 AromaticContact CG-CD2 3.65Å; F97-F137 HydrophobicContact CG-CD2 3.65Å; F97-F137 HydrophobicContact CG-CG 4.25Å; F97-F137 HydrophobicContact CZ-CB 4.46Å; F97-E140 WeakPolarHBondContact CE2-OE1 2.96Å
98	A	98.9	Very high	98.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-45	178.1	0	0	0	0	0	111.4	F86 A94 A95 K100 R101 L102 T133 F244	F86-A98 HydrophobicContact CD1-CB 3.56Å; F86-A98 HydrophobicContact CE1-CB 3.52Å; F86-A98 HydrophobicContact CG-CB 4.29Å; F86-A98 HydrophobicContact CZ-CB 4.22Å; A94-A98 WeakPolarHBondContact O-CB 3.45Å; A94-A98 PolarHBondContact O-N 2.86Å; A95-A98 PolarHBondContact O-N 2.88Å; A98-K100 VanDerWaalsContact C-N 3.29Å; A98-K100 PolarHBondContact O-N 3.05Å; A98-R101 PolarHBondContact O-N 3.45Å; A98-L102 WeakPolarHBondContact O-CB 3.25Å; A98-L102 PolarHBondContact O-N 3.5Å; A98-T133 HydrophobicContact CB-CG2 4.27Å; A98-F244 HydrophobicContact CB-CD2 3.79Å; A98-F244 HydrophobicContact CB-CE2 3.97Å; A98-F244 HydrophobicContact CB-CG 4.44Å
99	C	98.9	Very high	98.5	Very high	18 Å²	18	40.6 Å²	40.6	12%	0.122	21%	0.211	C	C	.	.	H	α-helix	trans	-53.1	-44.6	174.2	177.8	0	0	0	0	112.5	H59 F86 A95 F97 H103	H59-C99 PolarHBondContact O-SG 3.1Å; F86-C99 HydrophobicContact CD2-CB 3.77Å; F86-C99 HydrophobicContact CE2-CB 3.77Å; A95-C99 VanDerWaalsContact O-CB 3.24Å; A95-C99 WeakPolarHBondContact O-CB 3.31Å; A95-C99 PolarHBondContact O-N 3.32Å; F97-C99 PolarHBondContact O-N 2.91Å; C99-H103 PolarHBondContact O-CE1 3.35Å; C99-H103 VanDerWaalsContact O-CE1 3.3Å; C99-H103 PolarHBondContact O-ND1 2.94Å; C99-H103 VanDerWaalsContact O-ND1 3.09Å
100	K	98.7	Very high	98.5	Very high	134 Å²	134	39.1 Å²	39.1	58%	0.583	20%	0.204	S	C	*	.	H	α-helix	trans	-77.3	-26.4	-178.5	-70.7	171.8	-174.5	176.9	0	114.6	N96 F97 A98 H103 Q104	N96-K100 WeakPolarHBondContact O-CB 3.39Å; N96-K100 VanDerWaalsContact O-CG 3.27Å; N96-K100 WeakPolarHBondContact O-CG 3.49Å; N96-K100 PolarHBondContact O-N 3.1Å; N96-K100 VanDerWaalsContact O-N 3.16Å; F97-K100 PolarHBondContact O-N 3.28Å; A98-K100 VanDerWaalsContact C-N 3.29Å; A98-K100 PolarHBondContact O-N 3.05Å; K100-H103 PolarHBondContact O-CE1 3.43Å; K100-H103 VanDerWaalsContact O-CE1 3.28Å; K100-Q104 VanDerWaalsContact O-CD 3.24Å; K100-Q104 PolarHBondContact O-NE2 3.48Å; K100-Q104 PolarHBondContact O-OE1 3Å
101	R	98.8	Very high	98.5	Very high	104 Å²	104	36.7 Å²	36.7	39%	0.392	18%	0.177	S	C	.	.	H	α-helix	trans	-114.8	-34.2	-166.7	-63.9	-59.5	-167.1	-179.6	3.2	114.9	F97 A98 H103 Q104 H105 T133	F97-R101 HydrophobicContact CD1-CB 4.34Å; F97-R101 HydrophobicContact CD1-CG 4.04Å; F97-R101 HydrophobicContact CE1-CB 4.05Å; F97-R101 HydrophobicContact CE1-CG 3.68Å; F97-R101 HydrophobicContact CE2-CG 4.26Å; F97-R101 HydrophobicContact CG-CG 4.47Å; F97-R101 HydrophobicContact CZ-CG 3.8Å; F97-R101 WeakPolarHBondContact O-CB 3.38Å; F97-R101 WeakPolarHBondContact O-CG 3.37Å; F97-R101 PolarHBondContact O-N 2.96Å; A98-R101 PolarHBondContact O-N 3.45Å; R101-H103 PolarHBondContact O-N 3.18Å; R101-Q104 WeakPolarHBondContact O-CB 3.43Å; R101-Q104 PolarHBondContact O-N 3.02Å; R101-Q104 VanDerWaalsContact O-N 3.11Å; R101-H105 PolarHBondContact O-CD2 2.99Å; R101-H105 VanDerWaalsContact O-CD2 3.25Å; R101-H105 PolarHBondContact O-N 3.38Å; R101-T133 HydrophobicContact CB-CG2 4.36Å
102	L	98.9	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-47.9	-167.7	179	54.8	0	0	0	112.3	Y82 F86 A98 Q104 H105 I106 Y130 T133 T156 F244	Y82-L102 VanDerWaalsContact OH-CD2 3.29Å; Y82-L102 WeakPolarHBondContact OH-CD2 3.44Å; F86-L102 HydrophobicContact CE1-CD2 3.88Å; F86-L102 HydrophobicContact CZ-CD2 4.13Å; A98-L102 WeakPolarHBondContact O-CB 3.25Å; A98-L102 PolarHBondContact O-N 3.5Å; L102-Q104 VanDerWaalsContact C-N 3.27Å; L102-Q104 PolarHBondContact O-N 2.99Å; L102-H105 PolarHBondContact O-N 3.36Å; L102-H105 VanDerWaalsContact O-N 3.17Å; L102-I106 HydrophobicContact CD1-CD1 4.22Å; L102-I106 HydrophobicContact CD1-CG1 4.42Å; L102-I106 HydrophobicContact CG-CD1 4.1Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.05Å; L102-Y130 HydrophobicContact CD1-CD2 3.59Å; L102-Y130 HydrophobicContact CD1-CE2 3.89Å; L102-Y130 HydrophobicContact CD1-CG 4.26Å; L102-Y130 HydrophobicContact CD2-CD2 4.15Å; L102-Y130 HydrophobicContact CD2-CE1 4.42Å; L102-Y130 HydrophobicContact CD2-CE2 3.68Å; L102-Y130 HydrophobicContact CG-CD2 4.46Å; L102-Y130 HydrophobicContact CG-CE2 4.29Å; L102-T133 HydrophobicContact CB-CG2 4.4Å; L102-T156 HydrophobicContact CD2-CG2 4.06Å; L102-F244 HydrophobicContact CD1-CZ 4.47Å; L102-F244 HydrophobicContact CD2-CE2 4.11Å; L102-F244 HydrophobicContact CD2-CZ 4Å
103	H	98.7	Very high	98.2	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-32.9	177.8	66.7	-81	0	0	0	112.8	L65 Y82 C99 K100 R101 I106 A107	L65-H103 HydrophobicContact CD1-CB 4.09Å; Y82-H103 HydrophobicContact CD1-CB 3.58Å; Y82-H103 HydrophobicContact CE1-CB 3.65Å; Y82-H103 HydrophobicContact CG-CB 4.03Å; C99-H103 PolarHBondContact O-CE1 3.35Å; C99-H103 VanDerWaalsContact O-CE1 3.3Å; C99-H103 PolarHBondContact O-ND1 2.94Å; C99-H103 VanDerWaalsContact O-ND1 3.09Å; K100-H103 PolarHBondContact O-CE1 3.43Å; K100-H103 VanDerWaalsContact O-CE1 3.28Å; R101-H103 PolarHBondContact O-N 3.18Å; H103-I106 PolarHBondContact O-N 2.94Å; H103-A107 WeakPolarHBondContact O-CB 3.28Å; H103-A107 PolarHBondContact O-N 2.78Å
104	Q	98.6	Very high	98.1	Very high	72 Å²	72	41 Å²	41	34%	0.336	20%	0.195	S	C	.	.	H	α-helix	trans	-68.1	-42.1	175.8	-54.2	-178.2	-23	0	0	111.3	K100 R101 L102 I106 A107 T108	K100-Q104 VanDerWaalsContact O-CD 3.24Å; K100-Q104 PolarHBondContact O-NE2 3.48Å; K100-Q104 PolarHBondContact O-OE1 3Å; R101-Q104 WeakPolarHBondContact O-CB 3.43Å; R101-Q104 PolarHBondContact O-N 3.02Å; R101-Q104 VanDerWaalsContact O-N 3.11Å; L102-Q104 VanDerWaalsContact C-N 3.27Å; L102-Q104 PolarHBondContact O-N 2.99Å; Q104-I106 VanDerWaalsContact C-N 3.33Å; Q104-A107 PolarHBondContact O-N 3.23Å; Q104-T108 WeakPolarHBondContact O-CB 3.32Å; Q104-T108 PolarHBondContact O-N 2.87Å; Q104-T108 PolarHBondContact O-OG1 2.74Å
105	H	98.8	Very high	97.9	Very high	21 Å²	21	43 Å²	43	10%	0.097	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-38.2	176.3	-73.5	-53.9	0	0	0	112.1	R101 L102 R109 S129 T133 E136	R101-H105 PolarHBondContact O-CD2 2.99Å; R101-H105 VanDerWaalsContact O-CD2 3.25Å; R101-H105 PolarHBondContact O-N 3.38Å; L102-H105 PolarHBondContact O-N 3.36Å; L102-H105 VanDerWaalsContact O-N 3.17Å; H105-R109 WeakPolarHBondContact O-CG 3.44Å; H105-R109 PolarHBondContact O-N 2.82Å; H105-R109 PolarHBondContact O-NH1 3.08Å; H105-S129 PolarHBondContact O-OG 3.38Å; H105-T133 PolarHBondContact CD2-OG1 2.9Å; H105-T133 VanDerWaalsContact CD2-OG1 3.25Å; H105-E136 IonicContact CE1-OE1 2.72Å; H105-E136 IonicContact CE1-OE2 3.32Å; H105-E136 PolarHBondContact CE1-OE2 2.93Å; H105-E136 VanDerWaalsContact CE1-OE2 3.24Å; H105-E136 IonicContact NE2-OE1 3.65Å; H105-E136 IonicContact NE2-OE2 3.63Å; H105-E136 PolarHBondContact NE2-OE2 2.92Å
106	I	98.7	Very high	97.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-52.7	173.6	-66.8	167.6	0	0	0	109.9	L65 Y82 L102 H103 Q104 T108 R109 F110 V125 L126 S129 L158	L65-I106 HydrophobicContact CD2-CG2 4.29Å; Y82-I106 HydrophobicContact CD2-CD1 4.21Å; Y82-I106 HydrophobicContact CE2-CD1 3.69Å; L102-I106 HydrophobicContact CD1-CD1 4.22Å; L102-I106 HydrophobicContact CD1-CG1 4.42Å; L102-I106 HydrophobicContact CG-CD1 4.1Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.05Å; H103-I106 PolarHBondContact O-N 2.94Å; Q104-I106 VanDerWaalsContact C-N 3.33Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 2.77Å; I106-R109 CarbonylContact O-C 3.47Å; I106-R109 PolarHBondContact O-N 2.88Å; I106-F110 PolarHBondContact O-N 3.09Å; I106-V125 HydrophobicContact CG2-CG1 4.37Å; I106-L126 HydrophobicContact CD1-CD2 3.87Å; I106-L126 HydrophobicContact CG1-CD2 4.3Å; I106-S129 WeakPolarHBondContact CA-OG 3.43Å; I106-S129 PolarHBondContact N-OG 3.11Å; I106-L158 HydrophobicContact CG2-CD1 4.24Å; I106-L158 HydrophobicContact CG2-CD2 4.27Å
107	A	98.5	Very high	97.8	Very high	5 Å²	5	52.2 Å²	52.2	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-42.5	-179.1	0	0	0	0	0	112.5	L65 L68 M69 H103 Q104 R109 F110	L65-A107 HydrophobicContact CD1-CB 4.22Å; L65-A107 HydrophobicContact CD2-CB 4.39Å; L65-A107 HydrophobicContact CG-CB 4.09Å; L68-A107 HydrophobicContact CB-CB 3.67Å; M69-A107 HydrophobicContact CG-CB 3.97Å; H103-A107 WeakPolarHBondContact O-CB 3.28Å; H103-A107 PolarHBondContact O-N 2.78Å; Q104-A107 PolarHBondContact O-N 3.23Å; A107-R109 PolarHBondContact O-N 2.73Å; A107-F110 PolarHBondContact O-N 2.99Å
108	T	97.8	Very high	97.8	Very high	93 Å²	93	51.2 Å²	51.2	57%	0.571	24%	0.241	S	C	*	.	H	α-helix	trans	-63.5	-27.8	178.8	-57.8	0	0	0	0	113	Q104 I106	Q104-T108 WeakPolarHBondContact O-CB 3.32Å; Q104-T108 PolarHBondContact O-N 2.87Å; Q104-T108 PolarHBondContact O-OG1 2.74Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 2.77Å
109	R	97.7	Very high	97.7	Very high	86 Å²	86	54.8 Å²	54.8	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-103.7	-2.7	-176.4	-72.5	174.3	178	73.2	1.9	113.6	H105 I106 A107 V125	H105-R109 WeakPolarHBondContact O-CG 3.44Å; H105-R109 PolarHBondContact O-N 2.82Å; H105-R109 PolarHBondContact O-NH1 3.08Å; I106-R109 CarbonylContact O-C 3.47Å; I106-R109 PolarHBondContact O-N 2.88Å; A107-R109 PolarHBondContact O-N 2.73Å; R109-V125 HydrophobicContact CB-CG1 3.86Å; R109-V125 HydrophobicContact CB-CG2 4.38Å; R109-V125 VanDerWaalsContact O-CG2 3.28Å; R109-V125 WeakPolarHBondContact O-CG2 3.43Å
110	F	98.2	Very high	97.7	Very high	16 Å²	16	62.1 Å²	62.1	7%	0.07	29%	0.287	C	S	.	.			trans	-59.8	138.7	-173	-169.5	-94	0	0	0	111.3	M69 V73 I77 V80 I106 A107 V118 I122 L158 V160	M69-F110 HydrophobicContact CE-CB 3.67Å; M69-F110 HydrophobicContact CE-CD1 3.85Å; M69-F110 HydrophobicContact CE-CD2 3.68Å; M69-F110 HydrophobicContact CE-CE1 4.42Å; M69-F110 HydrophobicContact CE-CE2 4.29Å; M69-F110 HydrophobicContact CE-CG 3.43Å; M69-F110 VanDerWaalsContact CE-CG 3.43Å; M69-F110 HydrophobicContact CG-CB 4.43Å; M69-F110 HydrophobicContact SD-CB 3.7Å; M69-F110 HydrophobicContact SD-CD1 3.49Å; M69-F110 WeakPolarHBondContact SD-CD1 3.2Å; M69-F110 HydrophobicContact SD-CD2 4.42Å; M69-F110 HydrophobicContact SD-CE1 4.21Å; M69-F110 HydrophobicContact SD-CG 3.61Å; V73-F110 HydrophobicContact CG1-CD1 3.9Å; V73-F110 HydrophobicContact CG1-CE1 4.02Å; I77-F110 HydrophobicContact CD1-CE1 3.65Å; I77-F110 HydrophobicContact CD1-CZ 4.08Å; V80-F110 HydrophobicContact CG1-CE2 4.39Å; V80-F110 HydrophobicContact CG2-CE1 4.35Å; V80-F110 HydrophobicContact CG2-CE2 4.39Å; V80-F110 HydrophobicContact CG2-CZ 3.95Å; I106-F110 PolarHBondContact O-N 3.09Å; A107-F110 PolarHBondContact O-N 2.99Å; F110-V118 HydrophobicContact CE1-CG2 4.13Å; F110-V118 HydrophobicContact CE2-CG1 4.41Å; F110-V118 HydrophobicContact CZ-CG1 4.19Å; F110-V118 HydrophobicContact CZ-CG2 3.89Å; F110-I122 HydrophobicContact CD2-CD1 4.36Å; F110-I122 HydrophobicContact CE2-CD1 4.24Å; F110-L158 HydrophobicContact CD2-CD2 4.18Å; F110-L158 HydrophobicContact CE2-CD2 3.85Å; F110-V160 HydrophobicContact CE2-CG2 3.94Å; F110-V160 HydrophobicContact CZ-CG1 4.24Å; F110-V160 HydrophobicContact CZ-CG2 4.05Å
111	P	96.9	Very high	97.7	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.058	27%	0.269	C	S	.	.			trans	-63.8	143.2	-176.8	-24.7	38.7	0	0	0	112.3	Q117 V118 D121 V125	P111-Q117 HydrophobicContact CB-CG 4.1Å; P111-V118 HydrophobicContact CB-CG2 4.28Å; P111-D121 HydrophobicContact CB-CB 4.47Å; P111-D121 HydrophobicContact CG-CB 3.8Å; P111-V125 HydrophobicContact CG-CG2 4.19Å
112	R	94.8	Very high	97.7	Very high	167 Å²	167	52.7 Å²	52.7	63%	0.63	25%	0.251	S	S	*	.	S	Bend	trans	-89.2	-24.1	-178.1	-69.8	-173.5	-73.6	168.8	-1.4	113.8	S74	S74-R112 PolarHBondContact N-O 3.42Å
113	G	95.3	Very high	97.6	Very high	21 Å²	21	55.8 Å²	55.8	22%	0.216	26%	0.264	C	S	.	.	S	Bend	trans	-74.7	179.6	176.6	0	0	0	0	0	112.7	S74	S74-G113 WeakPolarHBondContact CB-O 3.37Å
114	G	95.6	Very high	97.6	Very high	11 Å²	11	63.1 Å²	63.1	11%	0.113	29%	0.291	C	S	.	.			trans	-66.1	-171.9	178.7	0	0	0	0	0	114.5	E76 Q116 Q117 V118	E76-G114 WeakPolarHBondContact OE2-CA 3.43Å; G114-Q116 PolarHBondContact O-N 3.11Å; G114-Q116 VanDerWaalsContact O-N 3.15Å; G114-Q117 PolarHBondContact O-N 3.14Å; G114-V118 PolarHBondContact O-N 2.86Å; G114-V118 VanDerWaalsContact O-N 3.08Å
115	M	96.6	Very high	97.6	Very high	43 Å²	43	60.2 Å²	60.2	21%	0.212	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-35.1	-174.1	-77.5	-64.4	-65.4	0	0	113.1	E76 Q117 V118 E119 V160	E76-M115 PolarHBondContact OE2-N 2.87Å; M115-Q117 VanDerWaalsContact C-N 3.32Å; M115-Q117 PolarHBondContact O-N 3.06Å; M115-V118 PolarHBondContact O-N 2.84Å; M115-E119 WeakPolarHBondContact O-CB 3.37Å; M115-E119 PolarHBondContact O-N 2.62Å; M115-V160 HydrophobicContact SD-CG1 3.8Å
116	Q	97.4	Very high	97.6	Very high	173 Å²	173	59.2 Å²	59.2	81%	0.808	27%	0.274	S	S	*	.	H	α-helix	trans	-60.7	-40.1	176	-68.1	-176.6	1.4	0	0	112.5	G114 K120	G114-Q116 PolarHBondContact O-N 3.11Å; G114-Q116 VanDerWaalsContact O-N 3.15Å; Q116-K120 WeakPolarHBondContact O-CB 3.37Å; Q116-K120 PolarHBondContact O-N 3.4Å
117	Q	98.1	Very high	97.6	Very high	84 Å²	84	62.2 Å²	62.2	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-73	-40.7	176.8	-170.3	177.1	12.3	0	0	110.9	P111 G114 M115 E119 K120 D121	P111-Q117 HydrophobicContact CB-CG 4.1Å; G114-Q117 PolarHBondContact O-N 3.14Å; M115-Q117 VanDerWaalsContact C-N 3.32Å; M115-Q117 PolarHBondContact O-N 3.06Å; Q117-E119 VanDerWaalsContact C-N 3.32Å; Q117-E119 PolarHBondContact O-N 2.7Å; Q117-K120 PolarHBondContact O-N 3.07Å; Q117-D121 WeakPolarHBondContact CG-OD2 3.38Å; Q117-D121 PolarHBondContact NE2-OD2 3.06Å; Q117-D121 WeakPolarHBondContact O-CB 3.41Å; Q117-D121 PolarHBondContact O-N 2.78Å
118	V	98.2	Very high	97.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-54.1	-52.3	174.3	176.5	0	0	0	0	110	I77 F110 P111 G114 M115 K120 D121 I122 V160 Y165	I77-V118 HydrophobicContact CD1-CG2 3.55Å; F110-V118 HydrophobicContact CE1-CG2 4.13Å; F110-V118 HydrophobicContact CE2-CG1 4.41Å; F110-V118 HydrophobicContact CZ-CG1 4.19Å; F110-V118 HydrophobicContact CZ-CG2 3.89Å; P111-V118 HydrophobicContact CB-CG2 4.28Å; G114-V118 PolarHBondContact O-N 2.86Å; G114-V118 VanDerWaalsContact O-N 3.08Å; M115-V118 PolarHBondContact O-N 2.84Å; V118-K120 VanDerWaalsContact C-N 3.29Å; V118-K120 PolarHBondContact O-N 2.92Å; V118-D121 PolarHBondContact O-N 2.86Å; V118-I122 HydrophobicContact CG1-CB 4.35Å; V118-I122 WeakPolarHBondContact O-CB 3.27Å; V118-I122 VanDerWaalsContact O-CG2 3.26Å; V118-I122 WeakPolarHBondContact O-CG2 3.25Å; V118-I122 PolarHBondContact O-N 2.96Å; V118-V160 HydrophobicContact CG1-CG1 4.41Å; V118-V160 HydrophobicContact CG1-CG2 4.39Å; V118-Y165 HydrophobicContact CG1-CE2 4.07Å
119	E	97.6	Very high	97.7	Very high	77 Å²	77	61 Å²	61	36%	0.36	28%	0.275	S	S	.	.	H	α-helix	trans	-58.2	-39.9	-179.9	177.9	160.2	-167.1	0	0	113.3	F4 M115 Q117 K262	F4-E119 HydrophobicContact CE2-CG 4.36Å; F4-E119 WeakPolarHBondContact CE2-OE1 3.49Å; M115-E119 WeakPolarHBondContact O-CB 3.37Å; M115-E119 PolarHBondContact O-N 2.62Å; Q117-E119 VanDerWaalsContact C-N 3.32Å; Q117-E119 PolarHBondContact O-N 2.7Å; E119-K262 IonicContact OE1-NZ 3.4Å; E119-K262 PolarHBondContact OE1-NZ 2.76Å; E119-K262 IonicContact OE2-NZ 2.93Å; E119-K262 PolarHBondContact OE2-NZ 2.88Å
120	K	98	Very high	97.8	Very high	172 Å²	172	57 Å²	57	75%	0.748	26%	0.26	S	S	*	.	H	α-helix	trans	-68.8	-42.3	178.6	-175	-178.4	177.8	179.1	0	113	Q116 Q117 V118	Q116-K120 WeakPolarHBondContact O-CB 3.37Å; Q116-K120 PolarHBondContact O-N 3.4Å; Q117-K120 PolarHBondContact O-N 3.07Å; V118-K120 VanDerWaalsContact C-N 3.29Å; V118-K120 PolarHBondContact O-N 2.92Å
121	D	98.4	Very high	97.8	Very high	36 Å²	36	61 Å²	61	19%	0.193	28%	0.277	C	S	.	.	H	α-helix	trans	-101.2	-20.3	-165.6	-67.4	-19.8	0	0	0	113.1	P111 Q117 V118 K123 R124 V125	P111-D121 HydrophobicContact CB-CB 4.47Å; P111-D121 HydrophobicContact CG-CB 3.8Å; Q117-D121 WeakPolarHBondContact CG-OD2 3.38Å; Q117-D121 PolarHBondContact NE2-OD2 3.06Å; Q117-D121 WeakPolarHBondContact O-CB 3.41Å; Q117-D121 PolarHBondContact O-N 2.78Å; V118-D121 PolarHBondContact O-N 2.86Å; D121-K123 VanDerWaalsContact C-N 3.31Å; D121-K123 PolarHBondContact O-N 3Å; D121-R124 WeakPolarHBondContact O-CB 3.26Å; D121-R124 PolarHBondContact O-N 2.67Å; D121-V125 PolarHBondContact O-N 2.94Å
122	I	98.5	Very high	97.9	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-35.6	-169	-168.5	62.9	0	0	0	113.9	F110 V118 R124 V125 L126 L158 Y165	F110-I122 HydrophobicContact CD2-CD1 4.36Å; F110-I122 HydrophobicContact CE2-CD1 4.24Å; V118-I122 HydrophobicContact CG1-CB 4.35Å; V118-I122 WeakPolarHBondContact O-CB 3.27Å; V118-I122 VanDerWaalsContact O-CG2 3.26Å; V118-I122 WeakPolarHBondContact O-CG2 3.25Å; V118-I122 PolarHBondContact O-N 2.96Å; I122-R124 VanDerWaalsContact C-N 3.31Å; I122-R124 PolarHBondContact O-N 2.72Å; I122-V125 HydrophobicContact CD1-CB 4.34Å; I122-V125 HydrophobicContact CD1-CG1 4.36Å; I122-V125 WeakPolarHBondContact O-CB 3.25Å; I122-V125 PolarHBondContact O-N 3.48Å; I122-L126 HydrophobicContact CG1-CD1 4.1Å; I122-L126 HydrophobicContact CG1-CG 4.43Å; I122-L126 WeakPolarHBondContact O-CG 3.36Å; I122-L126 PolarHBondContact O-N 2.8Å; I122-L158 HydrophobicContact CD1-CD2 3.54Å; I122-L158 HydrophobicContact CG1-CD2 4.35Å; I122-Y165 HydrophobicContact CB-CD1 4.49Å; I122-Y165 HydrophobicContact CG1-CD1 4.24Å; I122-Y165 HydrophobicContact CG1-CD2 4.25Å; I122-Y165 HydrophobicContact CG1-CG 4.01Å; I122-Y165 HydrophobicContact CG2-CD1 3.54Å; I122-Y165 HydrophobicContact CG2-CE1 3.48Å; I122-Y165 VanDerWaalsContact CG2-CE1 3.48Å; I122-Y165 HydrophobicContact CG2-CG 4.17Å
123	K	98.5	Very high	98.1	Very high	65 Å²	65	55.4 Å²	55.4	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-43.5	175.8	-178.3	171.8	-178.6	173.2	0	111.3	L3 D121 L126 Y127 V260	L3-K123 HydrophobicContact CD2-CD 3.95Å; D121-K123 VanDerWaalsContact C-N 3.31Å; D121-K123 PolarHBondContact O-N 3Å; K123-L126 PolarHBondContact O-N 3.13Å; K123-Y127 WeakPolarHBondContact CE-OH 3.39Å; K123-Y127 HydrophobicContact CG-CE1 4.14Å; K123-Y127 HydrophobicContact CG-CE2 4.17Å; K123-Y127 WeakPolarHBondContact O-CD1 3.31Å; K123-Y127 VanDerWaalsContact O-CG 3.32Å; K123-Y127 PolarHBondContact O-N 3.34Å; K123-V260 HydrophobicContact CB-CG1 4.45Å; K123-V260 HydrophobicContact CG-CB 4.24Å; K123-V260 HydrophobicContact CG-CG1 4.42Å; K123-V260 HydrophobicContact CG-CG2 4.41Å
124	R	98.6	Very high	98.3	Very high	171 Å²	171	54.8 Å²	54.8	65%	0.645	25%	0.249	S	C	*	.	H	α-helix	trans	-66.9	-42.6	176.2	-174	-174.4	-56.6	179	3.8	111.1	D121 I122 L126 Y127 D128	D121-R124 WeakPolarHBondContact O-CB 3.26Å; D121-R124 PolarHBondContact O-N 2.67Å; I122-R124 VanDerWaalsContact C-N 3.31Å; I122-R124 PolarHBondContact O-N 2.72Å; R124-L126 VanDerWaalsContact C-N 3.3Å; R124-L126 PolarHBondContact O-N 3.15Å; R124-Y127 PolarHBondContact O-N 2.88Å; R124-D128 WeakPolarHBondContact O-CB 3.37Å; R124-D128 PolarHBondContact O-N 3.14Å
125	V	98.7	Very high	98.4	Very high	11 Å²	11	58.3 Å²	58.3	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-45.8	176.3	170.2	0	0	0	0	111	I106 R109 P111 D121 I122 S129	I106-V125 HydrophobicContact CG2-CG1 4.37Å; R109-V125 HydrophobicContact CB-CG1 3.86Å; R109-V125 HydrophobicContact CB-CG2 4.38Å; R109-V125 VanDerWaalsContact O-CG2 3.28Å; R109-V125 WeakPolarHBondContact O-CG2 3.43Å; P111-V125 HydrophobicContact CG-CG2 4.19Å; D121-V125 PolarHBondContact O-N 2.94Å; I122-V125 HydrophobicContact CD1-CB 4.34Å; I122-V125 HydrophobicContact CD1-CG1 4.36Å; I122-V125 WeakPolarHBondContact O-CB 3.25Å; I122-V125 PolarHBondContact O-N 3.48Å; V125-S129 WeakPolarHBondContact O-CB 3.16Å; V125-S129 PolarHBondContact O-N 2.96Å; V125-S129 PolarHBondContact O-OG 3.38Å
126	L	98.8	Very high	98.5	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-47.5	176.6	-69.9	163.8	0	0	0	111.1	I106 I122 K123 R124 D128 S129 Y130 A167 V260	I106-L126 HydrophobicContact CD1-CD2 3.87Å; I106-L126 HydrophobicContact CG1-CD2 4.3Å; I122-L126 HydrophobicContact CG1-CD1 4.1Å; I122-L126 HydrophobicContact CG1-CG 4.43Å; I122-L126 WeakPolarHBondContact O-CG 3.36Å; I122-L126 PolarHBondContact O-N 2.8Å; K123-L126 PolarHBondContact O-N 3.13Å; R124-L126 VanDerWaalsContact C-N 3.3Å; R124-L126 PolarHBondContact O-N 3.15Å; L126-D128 PolarHBondContact O-N 3.35Å; L126-S129 PolarHBondContact O-N 3.25Å; L126-Y130 WeakPolarHBondContact O-CB 3.45Å; L126-Y130 WeakPolarHBondContact O-CD2 3.49Å; L126-Y130 PolarHBondContact O-N 2.94Å; L126-A167 HydrophobicContact CD1-CB 4.21Å; L126-A167 HydrophobicContact CD2-CB 4.17Å; L126-V260 HydrophobicContact CB-CG2 4.21Å; L126-V260 HydrophobicContact CD1-CG1 3.78Å; L126-V260 HydrophobicContact CD1-CG2 4.01Å
127	Y	98.7	Very high	98.6	Very high	62 Å²	62	50 Å²	50	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-49.6	178	-73.7	4.4	0	0	0	112.6	K123 R124 S129 Y130 K131 I257 P258 V260	K123-Y127 WeakPolarHBondContact CE-OH 3.39Å; K123-Y127 HydrophobicContact CG-CE1 4.14Å; K123-Y127 HydrophobicContact CG-CE2 4.17Å; K123-Y127 WeakPolarHBondContact O-CD1 3.31Å; K123-Y127 VanDerWaalsContact O-CG 3.32Å; K123-Y127 PolarHBondContact O-N 3.34Å; R124-Y127 PolarHBondContact O-N 2.88Å; Y127-S129 VanDerWaalsContact C-N 3.31Å; Y127-S129 PolarHBondContact O-N 2.65Å; Y127-Y130 PolarHBondContact O-N 3.46Å; Y127-K131 WeakPolarHBondContact O-CB 3.44Å; Y127-K131 PolarHBondContact O-N 3.05Å; Y127-I257 HydrophobicContact CD1-CG2 4.19Å; Y127-I257 HydrophobicContact CD2-CG2 4.37Å; Y127-I257 HydrophobicContact CE1-CG2 3.98Å; Y127-I257 HydrophobicContact CE2-CG2 4.18Å; Y127-I257 HydrophobicContact CG-CG2 4.36Å; Y127-P258 HydrophobicContact CD1-CG 3.89Å; Y127-P258 HydrophobicContact CE1-CG 4.07Å; Y127-P258 WeakPolarHBondContact CE1-O 3.48Å; Y127-P258 PolarHBondContact OH-O 3.28Å; Y127-V260 HydrophobicContact CD1-CG2 4.16Å; Y127-V260 HydrophobicContact CE1-CG2 3.66Å
128	D	98.8	Very high	98.6	Very high	74 Å²	74	47.3 Å²	47.3	40%	0.396	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-35.3	-179.1	-70.7	-18.3	0	0	0	111.5	R124 L126 K132	R124-D128 WeakPolarHBondContact O-CB 3.37Å; R124-D128 PolarHBondContact O-N 3.14Å; L126-D128 PolarHBondContact O-N 3.35Å; D128-K132 WeakPolarHBondContact O-CB 3.35Å; D128-K132 PolarHBondContact O-N 3.41Å
129	S	98.9	Very high	98.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70.8	-41.3	178.4	-58.3	0	0	0	0	112.1	H105 I106 V125 L126 Y127 T133	H105-S129 PolarHBondContact O-OG 3.38Å; I106-S129 WeakPolarHBondContact CA-OG 3.43Å; I106-S129 PolarHBondContact N-OG 3.11Å; V125-S129 WeakPolarHBondContact O-CB 3.16Å; V125-S129 PolarHBondContact O-N 2.96Å; V125-S129 PolarHBondContact O-OG 3.38Å; L126-S129 PolarHBondContact O-N 3.25Å; Y127-S129 VanDerWaalsContact C-N 3.31Å; Y127-S129 PolarHBondContact O-N 2.65Å; S129-T133 WeakPolarHBondContact O-CB 3.37Å; S129-T133 PolarHBondContact O-N 2.89Å; S129-T133 PolarHBondContact O-OG1 3.42Å
130	Y	98.9	Very high	98.6	Very high	0 Å²	0	53 Å²	53	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-52.2	173.3	-86.7	-119.9	0	0	0	110.4	L102 L126 Y127 K132 T133 D134 A154 T156 A167 L169 F244 P258	L102-Y130 HydrophobicContact CD1-CD2 3.59Å; L102-Y130 HydrophobicContact CD1-CE2 3.89Å; L102-Y130 HydrophobicContact CD1-CG 4.26Å; L102-Y130 HydrophobicContact CD2-CD2 4.15Å; L102-Y130 HydrophobicContact CD2-CE1 4.42Å; L102-Y130 HydrophobicContact CD2-CE2 3.68Å; L102-Y130 HydrophobicContact CG-CD2 4.46Å; L102-Y130 HydrophobicContact CG-CE2 4.29Å; L126-Y130 WeakPolarHBondContact O-CB 3.45Å; L126-Y130 WeakPolarHBondContact O-CD2 3.49Å; L126-Y130 PolarHBondContact O-N 2.94Å; Y127-Y130 PolarHBondContact O-N 3.46Å; Y130-K132 VanDerWaalsContact C-N 3.31Å; Y130-K132 PolarHBondContact O-N 3.21Å; Y130-T133 WeakPolarHBondContact O-CB 3.38Å; Y130-T133 PolarHBondContact O-N 3.45Å; Y130-T133 VanDerWaalsContact O-N 3.15Å; Y130-D134 PolarHBondContact O-N 2.92Å; Y130-A154 HydrophobicContact CE1-CB 4.11Å; Y130-T156 WeakPolarHBondContact OH-CG2 3.49Å; Y130-T156 PolarHBondContact OH-OG1 3.31Å; Y130-A167 HydrophobicContact CE2-CB 3.92Å; Y130-A167 WeakPolarHBondContact OH-CB 3.29Å; Y130-A167 PolarHBondContact OH-O 2.82Å; Y130-A167 VanDerWaalsContact OH-O 3.04Å; Y130-L169 HydrophobicContact CD1-CB 4.41Å; Y130-L169 HydrophobicContact CD1-CD2 4.07Å; Y130-L169 HydrophobicContact CE1-CB 3.87Å; Y130-L169 HydrophobicContact CE1-CD2 4.17Å; Y130-F244 AromaticContact CD1-CE1 3.84Å; Y130-F244 HydrophobicContact CD1-CE1 3.84Å; Y130-F244 HydrophobicContact CD1-CE2 4.06Å; Y130-F244 AromaticContact CD1-CZ 3.26Å; Y130-F244 HydrophobicContact CD1-CZ 3.26Å; Y130-F244 HydrophobicContact CD2-CZ 4.46Å; Y130-F244 HydrophobicContact CE1-CE2 4.04Å; Y130-F244 AromaticContact CE1-CZ 3.67Å; Y130-F244 HydrophobicContact CE1-CZ 3.67Å; Y130-F244 HydrophobicContact CG-CE1 4.16Å; Y130-F244 AromaticContact CG-CZ 3.71Å; Y130-F244 HydrophobicContact CG-CZ 3.71Å; Y130-F244 WeakPolarHBondContact O-CE1 3.18Å; Y130-P258 HydrophobicContact CD1-CB 3.87Å; Y130-P258 HydrophobicContact CD1-CG 3.69Å; Y130-P258 HydrophobicContact CD2-CG 4Å; Y130-P258 HydrophobicContact CE1-CB 3.68Å; Y130-P258 HydrophobicContact CE1-CG 3.9Å; Y130-P258 HydrophobicContact CE2-CG 4.16Å; Y130-P258 HydrophobicContact CG-CB 4.43Å; Y130-P258 HydrophobicContact CG-CG 3.75Å
131	K	98.8	Very high	98.6	Very high	101 Å²	101	44.8 Å²	44.8	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-55.7	-46	178.2	-174.7	179.4	178.5	-176	0	112	Y127 T133 D134 E135	Y127-K131 WeakPolarHBondContact O-CB 3.44Å; Y127-K131 PolarHBondContact O-N 3.05Å; K131-T133 PolarHBondContact O-N 3.39Å; K131-D134 PolarHBondContact O-N 3.4Å; K131-E135 WeakPolarHBondContact CE-OE1 3.24Å; K131-E135 HydrophobicContact CG-CG 4.44Å; K131-E135 WeakPolarHBondContact O-CB 3.07Å; K131-E135 VanDerWaalsContact O-CG 3.29Å; K131-E135 WeakPolarHBondContact O-CG 3.46Å; K131-E135 PolarHBondContact O-N 2.87Å
132	K	98.8	Very high	98.5	Very high	58 Å²	58	45 Å²	45	25%	0.252	20%	0.201	S	C	.	.	H	α-helix	trans	-63.3	-42.2	178.7	-178.3	58.9	170.3	147	0	112.4	D128 Y130 E136	D128-K132 WeakPolarHBondContact O-CB 3.35Å; D128-K132 PolarHBondContact O-N 3.41Å; Y130-K132 VanDerWaalsContact C-N 3.31Å; Y130-K132 PolarHBondContact O-N 3.21Å; K132-E136 HydrophobicContact CD-CG 4.35Å; K132-E136 WeakPolarHBondContact CE-OE1 3.32Å; K132-E136 IonicContact NZ-OE1 2.75Å; K132-E136 PolarHBondContact NZ-OE1 2.9Å; K132-E136 WeakPolarHBondContact O-CG 3.32Å; K132-E136 PolarHBondContact O-N 3.11Å; K132-E136 VanDerWaalsContact O-N 3.07Å
133	T	98.9	Very high	98.4	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-47	176.3	-56.9	0	0	0	0	110.8	F97 A98 R101 L102 H105 S129 Y130 K131 E136 F137 F244	F97-T133 HydrophobicContact CD1-CG2 4.1Å; F97-T133 HydrophobicContact CE1-CG2 4.19Å; F97-T133 WeakPolarHBondContact CE1-O 3.4Å; A98-T133 HydrophobicContact CB-CG2 4.27Å; R101-T133 HydrophobicContact CB-CG2 4.36Å; L102-T133 HydrophobicContact CB-CG2 4.4Å; H105-T133 PolarHBondContact CD2-OG1 2.9Å; H105-T133 VanDerWaalsContact CD2-OG1 3.25Å; S129-T133 WeakPolarHBondContact O-CB 3.37Å; S129-T133 PolarHBondContact O-N 2.89Å; S129-T133 PolarHBondContact O-OG1 3.42Å; Y130-T133 WeakPolarHBondContact O-CB 3.38Å; Y130-T133 PolarHBondContact O-N 3.45Å; Y130-T133 VanDerWaalsContact O-N 3.15Å; K131-T133 PolarHBondContact O-N 3.39Å; T133-E136 PolarHBondContact O-N 2.97Å; T133-F137 PolarHBondContact O-N 3.23Å; T133-F244 HydrophobicContact CG2-CE1 4.27Å; T133-F244 HydrophobicContact CG2-CZ 4.49Å
134	D	98.9	Very high	98.3	Very high	8 Å²	8	52 Å²	52	4%	0.043	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-47.9	178.6	-165.3	51	0	0	0	111.9	Y130 K131 E136 F137 L138 F244 G245 K250 C256	Y130-D134 PolarHBondContact O-N 2.92Å; K131-D134 PolarHBondContact O-N 3.4Å; D134-E136 VanDerWaalsContact C-N 3.29Å; D134-E136 PolarHBondContact O-N 3.39Å; D134-F137 PolarHBondContact O-N 2.85Å; D134-L138 WeakPolarHBondContact O-CB 3.5Å; D134-L138 WeakPolarHBondContact O-CG 3.15Å; D134-L138 PolarHBondContact O-N 3.29Å; D134-F244 HydrophobicContact CB-CD1 3.85Å; D134-F244 HydrophobicContact CB-CE1 4.3Å; D134-F244 WeakPolarHBondContact OD1-CA 3.47Å; D134-G245 PolarHBondContact OD1-N 3.4Å; D134-K250 VanDerWaalsContact CG-NZ 3.27Å; D134-K250 IonicContact OD1-NZ 3.88Å; D134-K250 PolarHBondContact OD1-NZ 2.8Å; D134-K250 VanDerWaalsContact OD1-NZ 3.1Å; D134-K250 WeakPolarHBondContact OD2-CE 3.1Å; D134-K250 IonicContact OD2-NZ 2.69Å; D134-K250 PolarHBondContact OD2-NZ 2.8Å; D134-C256 HydrophobicContact CB-CB 3.68Å; D134-C256 VanDerWaalsContact CB-SG 3.6Å; D134-C256 WeakPolarHBondContact OD2-CB 3.35Å; D134-C256 PolarHBondContact OD2-SG 2.87Å
135	E	98.7	Very high	98.1	Very high	84 Å²	84	55.2 Å²	55.2	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-60.3	-36.6	178.4	-76.3	174.9	176.7	0	0	113	K131 R139	K131-E135 WeakPolarHBondContact CE-OE1 3.24Å; K131-E135 HydrophobicContact CG-CG 4.44Å; K131-E135 WeakPolarHBondContact O-CB 3.07Å; K131-E135 VanDerWaalsContact O-CG 3.29Å; K131-E135 WeakPolarHBondContact O-CG 3.46Å; K131-E135 PolarHBondContact O-N 2.87Å; E135-R139 WeakPolarHBondContact O-CB 3.31Å; E135-R139 PolarHBondContact O-N 2.98Å; E135-R139 PolarHBondContact O-NH2 3.13Å
136	E	98.8	Very high	97.9	Very high	37 Å²	37	60.2 Å²	60.2	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-70.3	-46.1	175.8	-71.4	179.3	168.3	0	0	111.9	F97 H105 K132 T133 D134 R139 E140	F97-E136 HydrophobicContact CE1-CB 3.95Å; F97-E136 HydrophobicContact CZ-CB 3.66Å; H105-E136 IonicContact CE1-OE1 2.72Å; H105-E136 IonicContact CE1-OE2 3.32Å; H105-E136 PolarHBondContact CE1-OE2 2.93Å; H105-E136 VanDerWaalsContact CE1-OE2 3.24Å; H105-E136 IonicContact NE2-OE1 3.65Å; H105-E136 IonicContact NE2-OE2 3.63Å; H105-E136 PolarHBondContact NE2-OE2 2.92Å; K132-E136 HydrophobicContact CD-CG 4.35Å; K132-E136 WeakPolarHBondContact CE-OE1 3.32Å; K132-E136 IonicContact NZ-OE1 2.75Å; K132-E136 PolarHBondContact NZ-OE1 2.9Å; K132-E136 WeakPolarHBondContact O-CG 3.32Å; K132-E136 PolarHBondContact O-N 3.11Å; K132-E136 VanDerWaalsContact O-N 3.07Å; T133-E136 PolarHBondContact O-N 2.97Å; D134-E136 VanDerWaalsContact C-N 3.29Å; D134-E136 PolarHBondContact O-N 3.39Å; E136-R139 WeakPolarHBondContact O-CB 3.22Å; E136-R139 PolarHBondContact O-N 2.86Å; E136-E140 PolarHBondContact O-N 3.29Å; E136-E140 VanDerWaalsContact O-N 3.15Å
137	F	98.8	Very high	97.8	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-45.4	176.6	-179.7	-106.2	0	0	0	112.2	K93 A94 F97 T133 D134 R139 E140 A141 W148 D150	K93-F137 HydrophobicContact CB-CE2 4.01Å; K93-F137 HydrophobicContact CB-CZ 4.26Å; A94-F137 HydrophobicContact CB-CD1 4.25Å; A94-F137 HydrophobicContact CB-CE1 3.65Å; A94-F137 HydrophobicContact CB-CE2 4.27Å; A94-F137 HydrophobicContact CB-CZ 3.66Å; F97-F137 HydrophobicContact CB-CD2 3.6Å; F97-F137 HydrophobicContact CB-CE2 4.21Å; F97-F137 HydrophobicContact CB-CG 4.38Å; F97-F137 HydrophobicContact CD1-CB 3.67Å; F97-F137 HydrophobicContact CD1-CD2 4.18Å; F97-F137 HydrophobicContact CD1-CG 4.32Å; F97-F137 AromaticContact CD2-CD2 3.98Å; F97-F137 HydrophobicContact CD2-CD2 3.98Å; F97-F137 HydrophobicContact CE1-CB 3.9Å; F97-F137 HydrophobicContact CG-CB 4.03Å; F97-F137 AromaticContact CG-CD2 3.65Å; F97-F137 HydrophobicContact CG-CD2 3.65Å; F97-F137 HydrophobicContact CG-CG 4.25Å; F97-F137 HydrophobicContact CZ-CB 4.46Å; T133-F137 PolarHBondContact O-N 3.23Å; D134-F137 PolarHBondContact O-N 2.85Å; F137-R139 PolarHBondContact O-N 2.86Å; F137-E140 PolarHBondContact O-N 3.38Å; F137-E140 VanDerWaalsContact O-N 3.14Å; F137-A141 HydrophobicContact CE1-CB 4.33Å; F137-A141 HydrophobicContact CZ-CB 4.46Å; F137-A141 WeakPolarHBondContact O-CB 3.46Å; F137-A141 PolarHBondContact O-N 2.83Å; F137-W148 AromaticContact CE2-CE3 3.97Å; F137-W148 HydrophobicContact CE2-CE3 3.97Å; F137-W148 HydrophobicContact CE2-CZ3 4.29Å; F137-W148 HydrophobicContact CZ-CE3 4.26Å; F137-D150 HydrophobicContact CZ-CB 4.15Å
138	L	98.6	Very high	97.7	Very high	29 Å²	29	64.4 Å²	64.4	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-34.2	178.3	-71.4	173.8	0	0	0	112.3	D134 C142 Y247 K250	D134-L138 WeakPolarHBondContact O-CB 3.5Å; D134-L138 WeakPolarHBondContact O-CG 3.15Å; D134-L138 PolarHBondContact O-N 3.29Å; L138-C142 WeakPolarHBondContact O-CB 3.27Å; L138-C142 PolarHBondContact O-N 3.15Å; L138-C142 PolarHBondContact O-SG 3.18Å; L138-Y247 HydrophobicContact CD2-CD2 4.19Å; L138-Y247 HydrophobicContact CD2-CG 4.47Å; L138-K250 HydrophobicContact CD1-CD 4.24Å; L138-K250 HydrophobicContact CD1-CG 4.08Å; L138-K250 HydrophobicContact CD2-CG 4.33Å
139	R	98.5	Very high	97.7	Very high	121 Å²	121	69.2 Å²	69.2	46%	0.457	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-45.8	174.7	-169.3	-175.3	-50.8	98.8	13.1	111.1	E135 E136 F137 Q143	E135-R139 WeakPolarHBondContact O-CB 3.31Å; E135-R139 PolarHBondContact O-N 2.98Å; E135-R139 PolarHBondContact O-NH2 3.13Å; E136-R139 WeakPolarHBondContact O-CB 3.22Å; E136-R139 PolarHBondContact O-N 2.86Å; F137-R139 PolarHBondContact O-N 2.86Å; R139-Q143 VanDerWaalsContact O-CG 3.28Å; R139-Q143 WeakPolarHBondContact O-CG 3.31Å; R139-Q143 PolarHBondContact O-N 2.91Å
140	E	98.2	Very high	97.6	Very high	74 Å²	74	69.5 Å²	69.5	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-63.9	-47.2	175.5	-69.6	-172.4	-163.3	0	0	110.9	F97 E136 F137 C142 Q143 Q144 W148	F97-E140 WeakPolarHBondContact CE2-OE1 2.96Å; E136-E140 PolarHBondContact O-N 3.29Å; E136-E140 VanDerWaalsContact O-N 3.15Å; F137-E140 PolarHBondContact O-N 3.38Å; F137-E140 VanDerWaalsContact O-N 3.14Å; E140-C142 VanDerWaalsContact C-N 3.33Å; E140-C142 PolarHBondContact O-N 2.89Å; E140-Q143 PolarHBondContact O-N 3.49Å; E140-Q144 VanDerWaalsContact O-CG 3.29Å; E140-Q144 WeakPolarHBondContact O-CG 3.44Å; E140-W148 HydrophobicContact CB-CZ3 4.13Å
141	A	97.5	Very high	97.6	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-56.3	-42.7	179.7	0	0	0	0	0	113.3	F137 Q143 Q144 H147 W148	F137-A141 HydrophobicContact CE1-CB 4.33Å; F137-A141 HydrophobicContact CZ-CB 4.46Å; F137-A141 WeakPolarHBondContact O-CB 3.46Å; F137-A141 PolarHBondContact O-N 2.83Å; A141-Q143 VanDerWaalsContact C-N 3.31Å; A141-Q143 PolarHBondContact O-N 3.33Å; A141-Q144 PolarHBondContact O-N 3.38Å; A141-H147 WeakPolarHBondContact O-CA 3.44Å; A141-W148 HydrophobicContact CB-CB 3.85Å; A141-W148 HydrophobicContact CB-CE3 4.23Å; A141-W148 PolarHBondContact O-N 3.01Å
142	C	95.9	Very high	97.6	Very high	41 Å²	41	64.7 Å²	64.7	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-71.8	-19.7	178.3	-68.6	0	0	0	0	114	L138 E140 Q144 H147 Y247	L138-C142 WeakPolarHBondContact O-CB 3.27Å; L138-C142 PolarHBondContact O-N 3.15Å; L138-C142 PolarHBondContact O-SG 3.18Å; E140-C142 VanDerWaalsContact C-N 3.33Å; E140-C142 PolarHBondContact O-N 2.89Å; C142-Q144 VanDerWaalsContact C-N 3.3Å; C142-H147 PolarHBondContact O-CE1 2.85Å; C142-H147 PolarHBondContact O-ND1 3.09Å; C142-Y247 WeakPolarHBondContact SG-CD2 3.48Å; C142-Y247 WeakPolarHBondContact SG-CE2 3.45Å
143	Q	96.6	Very high	97.6	Very high	138 Å²	138	62 Å²	62	65%	0.645	28%	0.28	S	S	*	.	H	α-helix	trans	-81.3	-13.6	178.6	-73.5	171.6	-3.5	0	0	112.7	R139 E140 A141	R139-Q143 VanDerWaalsContact O-CG 3.28Å; R139-Q143 WeakPolarHBondContact O-CG 3.31Å; R139-Q143 PolarHBondContact O-N 2.91Å; E140-Q143 PolarHBondContact O-N 3.49Å; A141-Q143 VanDerWaalsContact C-N 3.31Å; A141-Q143 PolarHBondContact O-N 3.33Å
144	Q	96	Very high	97.6	Very high	77 Å²	77	62 Å²	62	36%	0.36	28%	0.28	S	S	.	.	S	Bend	trans	-89.8	155	-173.6	-58.1	-69.7	-23.7	0	0	111.2	E140 A141 C142 P146 H147 W148	E140-Q144 VanDerWaalsContact O-CG 3.29Å; E140-Q144 WeakPolarHBondContact O-CG 3.44Å; A141-Q144 PolarHBondContact O-N 3.38Å; C142-Q144 VanDerWaalsContact C-N 3.3Å; Q144-P146 CarbonylContact C-O 3.47Å; Q144-P146 VanDerWaalsContact C-O 3.29Å; Q144-P146 CarbonylContact O-C 3.52Å; Q144-P146 VanDerWaalsContact O-C 3.27Å; Q144-H147 WeakPolarHBondContact O-CA 3.36Å; Q144-H147 PolarHBondContact O-N 2.81Å; Q144-H147 PolarHBondContact O-ND1 2.83Å; Q144-W148 HydrophobicContact CB-CD2 4.27Å; Q144-W148 HydrophobicContact CB-CG 4.29Å; Q144-W148 HydrophobicContact CB-CZ2 4.44Å; Q144-W148 HydrophobicContact CG-CD2 3.83Å; Q144-W148 HydrophobicContact CG-CE3 4.3Å; Q144-W148 HydrophobicContact CG-CG 4.36Å; Q144-W148 HydrophobicContact CG-CH2 4.01Å; Q144-W148 HydrophobicContact CG-CZ2 3.51Å; Q144-W148 HydrophobicContact CG-CZ3 4.38Å
145	R	95	Very high	97.6	Very high	238 Å²	238	61.6 Å²	61.6	90%	0.898	28%	0.278	S	S	*	.	S	Bend	trans	-129.1	112.8	176.7	-67.4	-165.8	-176.3	154.5	2.6	110.8
146	P	94.1	Very high	97.7	Very high	117 Å²	117	57.6 Å²	57.6	76%	0.76	26%	0.259	S	S	*	.	S	Bend	cis	-63.4	158.4	-5.7	29.9	-35.7	0	0	0	111.9	Q144 W148	Q144-P146 CarbonylContact C-O 3.47Å; Q144-P146 VanDerWaalsContact C-O 3.29Å; Q144-P146 CarbonylContact O-C 3.52Å; Q144-P146 VanDerWaalsContact O-C 3.27Å; P146-W148 PolarHBondContact O-N 2.81Å
147	H	96.3	Very high	97.7	Very high	90 Å²	90	55.9 Å²	55.9	42%	0.417	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-56.7	139	172.3	-65	-14.3	0	0	0	109.6	A141 C142 Q144	A141-H147 WeakPolarHBondContact O-CA 3.44Å; C142-H147 PolarHBondContact O-CE1 2.85Å; C142-H147 PolarHBondContact O-ND1 3.09Å; Q144-H147 WeakPolarHBondContact O-CA 3.36Å; Q144-H147 PolarHBondContact O-N 2.81Å; Q144-H147 PolarHBondContact O-ND1 2.83Å
148	W	97.9	Very high	97.7	Very high	60 Å²	60	55.7 Å²	55.7	23%	0.227	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-67.1	137.4	173.9	-61.4	-19.1	0	0	0	109.9	K93 F137 E140 A141 Q144 P146	K93-W148 HydrophobicContact CB-CE3 4.42Å; K93-W148 HydrophobicContact CD-CD2 3.41Å; K93-W148 VanDerWaalsContact CD-CD2 3.41Å; K93-W148 HydrophobicContact CD-CE3 3.78Å; K93-W148 HydrophobicContact CD-CG 3.87Å; K93-W148 HydrophobicContact CD-CH2 4.07Å; K93-W148 HydrophobicContact CD-CZ2 3.7Å; K93-W148 HydrophobicContact CD-CZ3 4.1Å; F137-W148 AromaticContact CE2-CE3 3.97Å; F137-W148 HydrophobicContact CE2-CE3 3.97Å; F137-W148 HydrophobicContact CE2-CZ3 4.29Å; F137-W148 HydrophobicContact CZ-CE3 4.26Å; E140-W148 HydrophobicContact CB-CZ3 4.13Å; A141-W148 HydrophobicContact CB-CB 3.85Å; A141-W148 HydrophobicContact CB-CE3 4.23Å; A141-W148 PolarHBondContact O-N 3.01Å; Q144-W148 HydrophobicContact CB-CD2 4.27Å; Q144-W148 HydrophobicContact CB-CG 4.29Å; Q144-W148 HydrophobicContact CB-CZ2 4.44Å; Q144-W148 HydrophobicContact CG-CD2 3.83Å; Q144-W148 HydrophobicContact CG-CE3 4.3Å; Q144-W148 HydrophobicContact CG-CG 4.36Å; Q144-W148 HydrophobicContact CG-CH2 4.01Å; Q144-W148 HydrophobicContact CG-CZ2 3.51Å; Q144-W148 HydrophobicContact CG-CZ3 4.38Å; P146-W148 PolarHBondContact O-N 2.81Å
149	R	97.2	Very high	97.7	Very high	175 Å²	175	54.4 Å²	54.4	66%	0.66	24%	0.243	S	C	*	.			trans	-113.2	3.7	178.1	-62.8	-172.4	-178.5	-173.7	-0.3	111.7
150	D	98.5	Very high	97.7	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.027	22%	0.222	C	C	.	.			trans	-55.3	138.7	178.1	-49.6	-139.5	0	0	0	109.6	H89 G91 A92 K93 A94 F137 D246	H89-D150 WeakPolarHBondContact O-CA 3.46Å; G91-D150 WeakPolarHBondContact CA-OD1 3.1Å; A92-D150 PolarHBondContact N-OD1 3.28Å; K93-D150 HydrophobicContact CB-CB 4.27Å; K93-D150 VanDerWaalsContact CB-OD1 3.24Å; K93-D150 WeakPolarHBondContact CB-OD1 3.46Å; K93-D150 VanDerWaalsContact CG-OD1 3.3Å; K93-D150 WeakPolarHBondContact CG-OD1 3.46Å; K93-D150 PolarHBondContact N-OD1 2.82Å; K93-D150 VanDerWaalsContact NZ-CG 3.26Å; K93-D150 IonicContact NZ-OD1 3.12Å; K93-D150 PolarHBondContact NZ-OD1 3.3Å; K93-D150 IonicContact NZ-OD2 3.26Å; K93-D150 PolarHBondContact NZ-OD2 2.78Å; A94-D150 HydrophobicContact CB-CB 4.03Å; F137-D150 HydrophobicContact CZ-CB 4.15Å; D150-D246 PolarHBondContact O-N 3.21Å
151	G	98.7	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	168	170.2	0	0	0	0	0	110.6	H89 A94 F244	H89-G151 VanDerWaalsContact CE1-C 3.43Å; H89-G151 PolarHBondContact N-O 2.9Å; H89-G151 WeakPolarHBondContact NE2-CA 3.48Å; H89-G151 PolarHBondContact O-N 2.88Å; A94-G151 VanDerWaalsContact CB-C 3.49Å; G151-F244 CarbonylContact C-O 3.27Å; G151-F244 WeakPolarHBondContact CA-O 3.24Å
152	S	98.9	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	144	177.7	-172.8	0	0	0	0	113.2	D87 A95 S243 F244	D87-S152 CarbonylContact O-C 3.49Å; D87-S152 WeakPolarHBondContact O-CA 3.39Å; D87-S152 WeakPolarHBondContact O-CB 3.44Å; D87-S152 PolarHBondContact O-OG 2.97Å; A95-S152 WeakPolarHBondContact CA-OG 3.36Å; A95-S152 WeakPolarHBondContact CB-OG 3.06Å; S152-S243 CarbonylContact O-C 3.53Å; S152-S243 WeakPolarHBondContact O-CA 3.45Å; S152-S243 WeakPolarHBondContact O-CB 3.48Å; S152-F244 PolarHBondContact N-O 2.88Å; S152-F244 PolarHBondContact O-N 2.73Å
153	T	98.8	Very high	97.8	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	20%	0.201	C	C	.	.			trans	-77.7	172.4	166.6	78.3	0	0	0	0	110.7	F86 D87 L169 S172 V240	F86-T153 WeakPolarHBondContact CA-O 3.39Å; D87-T153 HydrophobicContact CB-CG2 4.19Å; D87-T153 WeakPolarHBondContact CB-OG1 3.44Å; D87-T153 PolarHBondContact N-OG1 3.28Å; D87-T153 PolarHBondContact O-N 3Å; T153-L169 CarbonylContact C-O 3.29Å; T153-L169 WeakPolarHBondContact CA-O 3.41Å; T153-L169 WeakPolarHBondContact CB-O 3.38Å; T153-S172 PolarHBondContact OG1-OG 3.29Å; T153-V240 HydrophobicContact CG2-CG1 4.26Å
154	A	98.9	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	120	168.4	0	0	0	0	0	111.4	I85 F86 Y130 T156 N168 L169 F244	I85-A154 WeakPolarHBondContact O-CA 3.41Å; F86-A154 HydrophobicContact CD1-CB 3.67Å; F86-A154 HydrophobicContact CE1-CB 3.72Å; Y130-A154 HydrophobicContact CE1-CB 4.11Å; A154-T156 HydrophobicContact CB-CG2 4.15Å; A154-N168 CarbonylContact O-C 3.5Å; A154-N168 WeakPolarHBondContact O-CA 3.29Å; A154-L169 HydrophobicContact CB-CB 4.24Å; A154-L169 PolarHBondContact N-O 2.96Å; A154-L169 PolarHBondContact O-N 2.95Å; A154-F244 HydrophobicContact CB-CD2 4.21Å; A154-F244 HydrophobicContact CB-CE2 3.66Å
155	A	98.9	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.7	164	0	0	0	0	0	108.1	A84 I85 V174 I274	A84-A155 WeakPolarHBondContact CA-O 3.46Å; I85-A155 PolarHBondContact N-O 2.94Å; I85-A155 PolarHBondContact O-N 3.44Å; A155-V174 HydrophobicContact CB-CG2 4.28Å; A155-I274 HydrophobicContact CB-CG2 3.97Å
156	T	98.9	Very high	98.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.6	-174.8	77.4	0	0	0	0	111.9	Y82 F83 A84 L102 Y130 A154 I166 A167	Y82-T156 HydrophobicContact CE2-CG2 4.22Å; Y82-T156 VanDerWaalsContact OH-CG2 3.29Å; Y82-T156 WeakPolarHBondContact OH-CG2 3.33Å; F83-T156 CarbonylContact O-C 3.57Å; F83-T156 VanDerWaalsContact O-CA 3.29Å; F83-T156 WeakPolarHBondContact O-CA 3.18Å; A84-T156 HydrophobicContact CB-CG2 3.67Å; L102-T156 HydrophobicContact CD2-CG2 4.06Å; Y130-T156 WeakPolarHBondContact OH-CG2 3.49Å; Y130-T156 PolarHBondContact OH-OG1 3.31Å; A154-T156 HydrophobicContact CB-CG2 4.15Å; T156-I166 CarbonylContact O-C 3.53Å; T156-I166 VanDerWaalsContact O-CA 3.29Å; T156-I166 WeakPolarHBondContact O-CA 3.27Å; T156-A167 PolarHBondContact N-O 2.72Å; T156-A167 PolarHBondContact O-N 2.8Å; T156-A167 PolarHBondContact OG1-O 2.84Å
157	I	98.9	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.1	172.1	-59.6	-176.7	0	0	0	107.8	Y82 F83 L164 Y165 I166 V174 L272 I274	Y82-I157 WeakPolarHBondContact CA-O 3.45Å; F83-I157 HydrophobicContact CB-CB 4.39Å; F83-I157 HydrophobicContact CD2-CB 4.15Å; F83-I157 HydrophobicContact CD2-CG2 4.18Å; F83-I157 PolarHBondContact N-O 3.36Å; F83-I157 PolarHBondContact O-N 3.28Å; I157-L164 HydrophobicContact CG2-CB 4.38Å; I157-L164 HydrophobicContact CG2-CD2 3.57Å; I157-Y165 WeakPolarHBondContact CA-O 3.35Å; I157-I166 HydrophobicContact CG1-CG1 4.31Å; I157-V174 HydrophobicContact CD1-CG1 3.54Å; I157-V174 HydrophobicContact CD1-CG2 4.21Å; I157-V174 HydrophobicContact CG1-CG1 4.13Å; I157-V174 HydrophobicContact CG1-CG2 4.01Å; I157-L272 HydrophobicContact CD1-CD1 4.36Å; I157-I274 HydrophobicContact CB-CD1 4.44Å; I157-I274 HydrophobicContact CD1-CD1 3.53Å; I157-I274 HydrophobicContact CD1-CG1 3.81Å; I157-I274 HydrophobicContact CG1-CD1 3.81Å; I157-I274 HydrophobicContact CG1-CG1 4.39Å
158	L	98.8	Very high	98.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112.6	159.8	-167.1	76	0	0	0	108.6	L65 V80 C81 Y82 I106 F110 I122 V160 Y165	L65-L158 HydrophobicContact CD2-CD1 3.62Å; V80-L158 HydrophobicContact CG1-CD1 3.57Å; V80-L158 HydrophobicContact CG1-CD2 4.41Å; V80-L158 HydrophobicContact CG1-CG 3.97Å; C81-L158 CarbonylContact O-C 3.38Å; C81-L158 WeakPolarHBondContact O-CA 3.41Å; Y82-L158 HydrophobicContact CD2-CD1 4.28Å; I106-L158 HydrophobicContact CG2-CD1 4.24Å; I106-L158 HydrophobicContact CG2-CD2 4.27Å; F110-L158 HydrophobicContact CD2-CD2 4.18Å; F110-L158 HydrophobicContact CE2-CD2 3.85Å; I122-L158 HydrophobicContact CD1-CD2 3.54Å; I122-L158 HydrophobicContact CG1-CD2 4.35Å; L158-V160 HydrophobicContact CD2-CG2 3.93Å; L158-V160 HydrophobicContact CG-CG2 4.05Å; L158-Y165 PolarHBondContact N-O 3.06Å; L158-Y165 PolarHBondContact O-N 3.09Å
159	L	98.8	Very high	98.6	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	104.1	176.2	173.1	59.7	0	0	0	108.9	Y41 V80 C81 F83 N161 L164 L265	Y41-L159 HydrophobicContact CD1-CD2 4.23Å; Y41-L159 HydrophobicContact CE1-CD2 4.29Å; V80-L159 CarbonylContact C-O 3.48Å; V80-L159 VanDerWaalsContact CA-O 3.26Å; V80-L159 WeakPolarHBondContact CA-O 3.23Å; C81-L159 HydrophobicContact CB-CB 4.16Å; C81-L159 PolarHBondContact N-O 3.29Å; C81-L159 PolarHBondContact O-N 2.72Å; F83-L159 HydrophobicContact CE2-CB 4.15Å; F83-L159 HydrophobicContact CE2-CD2 4.44Å; L159-N161 VanDerWaalsContact CD1-O 3.25Å; L159-N161 WeakPolarHBondContact CD1-O 3.38Å; L159-L164 HydrophobicContact CB-CD2 4.18Å; L159-L164 HydrophobicContact CD1-CD2 3.72Å; L159-L164 HydrophobicContact CD1-CG 4.42Å; L159-L164 HydrophobicContact CG-CD2 4.41Å; L159-L265 HydrophobicContact CD1-CD1 4.05Å
160	V	98.5	Very high	98.7	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.7	175.7	-175.2	0	0	0	0	108	I77 R79 V80 F110 M115 V118 L158 N162 T163 Y165	I77-V160 HydrophobicContact CG2-CG1 3.94Å; R79-V160 CarbonylContact O-C 3.57Å; R79-V160 WeakPolarHBondContact O-CA 3.19Å; V80-V160 HydrophobicContact CG1-CG2 4.31Å; V80-V160 HydrophobicContact CG2-CG1 4.4Å; V80-V160 HydrophobicContact CG2-CG2 4.46Å; F110-V160 HydrophobicContact CE2-CG2 3.94Å; F110-V160 HydrophobicContact CZ-CG1 4.24Å; F110-V160 HydrophobicContact CZ-CG2 4.05Å; M115-V160 HydrophobicContact SD-CG1 3.8Å; V118-V160 HydrophobicContact CG1-CG1 4.41Å; V118-V160 HydrophobicContact CG1-CG2 4.39Å; L158-V160 HydrophobicContact CD2-CG2 3.93Å; L158-V160 HydrophobicContact CG-CG2 4.05Å; V160-N162 PolarHBondContact O-N 2.89Å; V160-T163 PolarHBondContact N-O 2.64Å; V160-T163 PolarHBondContact O-N 2.84Å; V160-Y165 HydrophobicContact CB-CD2 4.43Å; V160-Y165 HydrophobicContact CB-CE2 4.02Å; V160-Y165 HydrophobicContact CG2-CD2 3.95Å; V160-Y165 HydrophobicContact CG2-CE2 3.88Å
161	N	98	Very high	98.6	Very high	8 Å²	8	4.1 Å²	4.1	4%	0.043	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	-109.6	-166.7	-64.1	-19.8	0	0	0	110.6	V36 L38 E76 A78 R79 L159	V36-N161 HydrophobicContact CG1-CB 4.08Å; L38-N161 HydrophobicContact CD2-CB 3.9Å; E76-N161 PolarHBondContact O-ND2 3.04Å; A78-N161 PolarHBondContact N-OD1 3.06Å; R79-N161 VanDerWaalsContact CZ-O 3.26Å; R79-N161 PolarHBondContact N-OD1 2.66Å; R79-N161 VanDerWaalsContact N-OD1 3.09Å; R79-N161 PolarHBondContact NE-O 3.5Å; R79-N161 PolarHBondContact NH2-O 3.43Å; R79-N161 PolarHBondContact O-N 3.02Å; L159-N161 VanDerWaalsContact CD1-O 3.25Å; L159-N161 WeakPolarHBondContact CD1-O 3.38Å
162	N	97.8	Very high	98.6	Very high	24 Å²	24	4.1 Å²	4.1	13%	0.128	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	11.2	176.7	-62.7	-25.7	0	0	0	112.9	K37 L38 I39 R79 V160 Q264 L265	K37-N162 PolarHBondContact O-ND2 2.57Å; L38-N162 WeakPolarHBondContact CA-OD1 3.12Å; I39-N162 HydrophobicContact CD1-CB 4.29Å; I39-N162 PolarHBondContact N-OD1 3.16Å; R79-N162 PolarHBondContact NH2-OD1 3.46Å; V160-N162 PolarHBondContact O-N 2.89Å; N162-Q264 PolarHBondContact O-NE2 2.94Å; N162-L265 HydrophobicContact CB-CB 4.43Å; N162-L265 VanDerWaalsContact O-CB 3.31Å; N162-L265 WeakPolarHBondContact O-CB 3.38Å; N162-L265 WeakPolarHBondContact O-CG 3.4Å; N162-L265 PolarHBondContact O-N 2.93Å
163	T	98.6	Very high	98.6	Very high	6 Å²	6	5.8 Å²	5.8	4%	0.037	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.5	179.6	-50.2	0	0	0	0	109.8	V160 Y165 K262 Q264	V160-T163 PolarHBondContact N-O 2.64Å; V160-T163 PolarHBondContact O-N 2.84Å; T163-Y165 HydrophobicContact CG2-CD2 4.44Å; T163-Y165 HydrophobicContact CG2-CE1 4.2Å; T163-Y165 HydrophobicContact CG2-CE2 3.81Å; T163-K262 HydrophobicContact CG2-CD 4.24Å; T163-K262 HydrophobicContact CG2-CG 3.7Å; T163-Q264 PolarHBondContact OG1-OE1 3.38Å
164	L	98.8	Very high	98.6	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.5	172.9	-55.6	167.9	0	0	0	109.6	I157 L159 I166 L207 K262 C263 L265 L272	I157-L164 HydrophobicContact CG2-CB 4.38Å; I157-L164 HydrophobicContact CG2-CD2 3.57Å; L159-L164 HydrophobicContact CB-CD2 4.18Å; L159-L164 HydrophobicContact CD1-CD2 3.72Å; L159-L164 HydrophobicContact CD1-CG 4.42Å; L159-L164 HydrophobicContact CG-CD2 4.41Å; L164-I166 HydrophobicContact CB-CD1 3.75Å; L164-L207 HydrophobicContact CD1-CD1 4.13Å; L164-K262 CarbonylContact O-C 3.58Å; L164-K262 WeakPolarHBondContact O-CA 3.19Å; L164-C263 HydrophobicContact CB-CB 4.23Å; L164-C263 WeakPolarHBondContact CB-O 3.5Å; L164-C263 HydrophobicContact CD1-CB 4.23Å; L164-C263 PolarHBondContact N-O 3.16Å; L164-C263 PolarHBondContact O-N 3.19Å; L164-L265 HydrophobicContact CD1-CD2 3.75Å; L164-L265 HydrophobicContact CD1-CG 4.23Å; L164-L265 HydrophobicContact CG-CD2 4.23Å; L164-L265 HydrophobicContact CG-CG 4.17Å; L164-L272 HydrophobicContact CD1-CD1 3.88Å; L164-L272 HydrophobicContact CD1-CD2 4.17Å; L164-L272 HydrophobicContact CD2-CD1 4.07Å
165	Y	98.8	Very high	98.6	Very high	3 Å²	3	5.7 Å²	5.7	1%	0.012	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.1	164.1	-59.5	-82.1	0	0	0	108.4	V118 I122 I157 L158 V160 T163 K261 K262	V118-Y165 HydrophobicContact CG1-CE2 4.07Å; I122-Y165 HydrophobicContact CB-CD1 4.49Å; I122-Y165 HydrophobicContact CG1-CD1 4.24Å; I122-Y165 HydrophobicContact CG1-CD2 4.25Å; I122-Y165 HydrophobicContact CG1-CG 4.01Å; I122-Y165 HydrophobicContact CG2-CD1 3.54Å; I122-Y165 HydrophobicContact CG2-CE1 3.48Å; I122-Y165 VanDerWaalsContact CG2-CE1 3.48Å; I122-Y165 HydrophobicContact CG2-CG 4.17Å; I157-Y165 WeakPolarHBondContact CA-O 3.35Å; L158-Y165 PolarHBondContact N-O 3.06Å; L158-Y165 PolarHBondContact O-N 3.09Å; V160-Y165 HydrophobicContact CB-CD2 4.43Å; V160-Y165 HydrophobicContact CB-CE2 4.02Å; V160-Y165 HydrophobicContact CG2-CD2 3.95Å; V160-Y165 HydrophobicContact CG2-CE2 3.88Å; T163-Y165 HydrophobicContact CG2-CD2 4.44Å; T163-Y165 HydrophobicContact CG2-CE1 4.2Å; T163-Y165 HydrophobicContact CG2-CE2 3.81Å; Y165-K261 CarbonylContact C-O 3.37Å; Y165-K261 WeakPolarHBondContact CA-O 3.39Å; Y165-K262 HydrophobicContact CD1-CB 4.31Å; Y165-K262 HydrophobicContact CD1-CG 4.29Å; Y165-K262 HydrophobicContact CE1-CB 4.32Å; Y165-K262 HydrophobicContact CE1-CD 4.28Å; Y165-K262 HydrophobicContact CE1-CG 3.91Å
166	I	98.8	Very high	98.6	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.01	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.6	-175.9	-55.3	89.3	0	0	0	107.6	T156 I157 L164 V174 L207 T208 V260 K261 C263	T156-I166 CarbonylContact O-C 3.53Å; T156-I166 VanDerWaalsContact O-CA 3.29Å; T156-I166 WeakPolarHBondContact O-CA 3.27Å; I157-I166 HydrophobicContact CG1-CG1 4.31Å; L164-I166 HydrophobicContact CB-CD1 3.75Å; I166-V174 HydrophobicContact CG2-CB 4.21Å; I166-V174 HydrophobicContact CG2-CG2 3.88Å; I166-L207 HydrophobicContact CD1-CB 4.14Å; I166-L207 HydrophobicContact CD1-CD1 3.91Å; I166-L207 HydrophobicContact CG1-CB 4.02Å; I166-L207 HydrophobicContact CG1-CD1 4.16Å; I166-T208 HydrophobicContact CG2-CG2 3.74Å; I166-V260 CarbonylContact O-C 3.57Å; I166-V260 VanDerWaalsContact O-CA 3.23Å; I166-V260 WeakPolarHBondContact O-CA 3.27Å; I166-K261 HydrophobicContact CB-CB 4.5Å; I166-K261 WeakPolarHBondContact CD1-O 3.15Å; I166-K261 PolarHBondContact N-O 2.76Å; I166-K261 PolarHBondContact O-N 3.14Å; I166-C263 HydrophobicContact CD1-CB 4.06Å
167	A	98.8	Very high	98.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.9	170.7	0	0	0	0	0	109.8	L126 Y130 T156 P258 D259 V260	L126-A167 HydrophobicContact CD1-CB 4.21Å; L126-A167 HydrophobicContact CD2-CB 4.17Å; Y130-A167 HydrophobicContact CE2-CB 3.92Å; Y130-A167 WeakPolarHBondContact OH-CB 3.29Å; Y130-A167 PolarHBondContact OH-O 2.82Å; Y130-A167 VanDerWaalsContact OH-O 3.04Å; T156-A167 PolarHBondContact N-O 2.72Å; T156-A167 PolarHBondContact O-N 2.8Å; T156-A167 PolarHBondContact OG1-O 2.84Å; A167-P258 HydrophobicContact CB-CB 4.03Å; A167-P258 HydrophobicContact CB-CG 4.19Å; A167-D259 CarbonylContact C-O 3.49Å; A167-D259 VanDerWaalsContact CA-O 3.28Å; A167-D259 WeakPolarHBondContact CA-O 3.24Å; A167-V260 HydrophobicContact CB-CG2 4.14Å
168	N	98.8	Very high	98.3	Very high	3 Å²	3	8 Å²	8	2%	0.016	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.2	-179.3	-168.1	44.3	0	0	0	112.2	A154 G170 S172 T208 K209 H211 P258 D259	A154-N168 CarbonylContact O-C 3.5Å; A154-N168 WeakPolarHBondContact O-CA 3.29Å; N168-G170 PolarHBondContact ND2-O 3.12Å; N168-G170 VanDerWaalsContact ND2-O 3.07Å; N168-S172 PolarHBondContact OD1-O 3.1Å; N168-S172 VanDerWaalsContact OD1-O 3.11Å; N168-T208 HydrophobicContact CB-CG2 3.71Å; N168-K209 PolarHBondContact ND2-O 2.81Å; N168-H211 PolarHBondContact O-CE1 2.69Å; N168-H211 VanDerWaalsContact O-CE1 3.24Å; N168-P258 CarbonylContact O-C 3.56Å; N168-P258 WeakPolarHBondContact O-CA 3.47Å; N168-P258 WeakPolarHBondContact O-CB 3.35Å; N168-D259 PolarHBondContact N-O 3.02Å; N168-D259 PolarHBondContact O-N 3.09Å
169	L	98.8	Very high	98	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	83.4	176	-173.8	80.1	0	0	0	109.2	Y130 T153 A154 R242 F244 C256 P258	Y130-L169 HydrophobicContact CD1-CB 4.41Å; Y130-L169 HydrophobicContact CD1-CD2 4.07Å; Y130-L169 HydrophobicContact CE1-CB 3.87Å; Y130-L169 HydrophobicContact CE1-CD2 4.17Å; T153-L169 CarbonylContact C-O 3.29Å; T153-L169 WeakPolarHBondContact CA-O 3.41Å; T153-L169 WeakPolarHBondContact CB-O 3.38Å; A154-L169 HydrophobicContact CB-CB 4.24Å; A154-L169 PolarHBondContact N-O 2.96Å; A154-L169 PolarHBondContact O-N 2.95Å; L169-R242 HydrophobicContact CD1-CB 3.56Å; L169-R242 HydrophobicContact CG-CB 4.18Å; L169-F244 HydrophobicContact CD2-CD1 4.22Å; L169-F244 HydrophobicContact CD2-CD2 3.84Å; L169-F244 HydrophobicContact CD2-CE1 4.24Å; L169-F244 HydrophobicContact CD2-CE2 3.9Å; L169-F244 HydrophobicContact CD2-CG 4.01Å; L169-F244 HydrophobicContact CD2-CZ 4.11Å; L169-C256 VanDerWaalsContact CD1-C 3.45Å; L169-C256 WeakPolarHBondContact CD1-O 3.43Å; L169-P258 HydrophobicContact CB-CB 4.5Å
170	G	98.5	Very high	97.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	128.4	-143.7	177.9	0	0	0	0	0	110.3	N168 D210 H211	N168-G170 PolarHBondContact ND2-O 3.12Å; N168-G170 VanDerWaalsContact ND2-O 3.07Å; G170-D210 WeakPolarHBondContact O-CA 3.29Å; G170-H211 PolarHBondContact N-ND1 2.76Å; G170-H211 VanDerWaalsContact N-ND1 3.2Å; G170-H211 PolarHBondContact O-N 3.39Å
171	D	97.6	Very high	96.1	Very high	34 Å²	34	15.9 Å²	15.9	18%	0.182	8%	0.076	C	C	.	.	S	Bend	trans	-118.4	1.2	-173.1	52.7	6	0	0	0	114.3
172	S	98.5	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.			trans	-60.5	149.3	158.2	-68.4	0	0	0	0	110.3	T153 N168 A275 C276	T153-S172 PolarHBondContact OG1-OG 3.29Å; N168-S172 PolarHBondContact OD1-O 3.1Å; N168-S172 VanDerWaalsContact OD1-O 3.11Å; S172-A275 WeakPolarHBondContact CA-O 3.36Å; S172-A275 WeakPolarHBondContact CB-O 3.4Å; S172-C276 WeakPolarHBondContact OG-CA 3.34Å
173	K	98.5	Very high	92	Very high	36 Å²	36	23.9 Å²	23.9	16%	0.157	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.3	-174.8	-48.4	173.3	-172.9	-75.2	0	114.1	V175 T208 D210 I274 A275 W280	K173-V175 HydrophobicContact CB-CG2 4.47Å; K173-T208 VanDerWaalsContact CA-OG1 3.29Å; K173-T208 WeakPolarHBondContact CA-OG1 3.35Å; K173-T208 WeakPolarHBondContact CB-OG1 3.4Å; K173-D210 IonicContact NZ-OD1 2.6Å; K173-D210 PolarHBondContact NZ-OD1 2.9Å; K173-D210 IonicContact NZ-OD2 3.79Å; K173-D210 PolarHBondContact NZ-OD2 2.93Å; K173-I274 WeakPolarHBondContact O-CA 3.47Å; K173-A275 PolarHBondContact N-O 3.06Å; K173-A275 PolarHBondContact O-N 3.17Å; K173-W280 HydrophobicContact CB-CD2 4.33Å; K173-W280 HydrophobicContact CB-CG 4.44Å; K173-W280 HydrophobicContact CB-CZ2 4.11Å; K173-W280 HydrophobicContact CD-CB 4.25Å; K173-W280 HydrophobicContact CD-CD2 3.95Å; K173-W280 HydrophobicContact CD-CG 3.74Å; K173-W280 HydrophobicContact CG-CD2 4.47Å; K173-W280 HydrophobicContact CG-CG 4.16Å
174	V	98.8	Very high	89.4	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.3	164.8	-178.1	0	0	0	0	108.6	A155 I157 I166 L207 T208 L272 L273 I274	A155-V174 HydrophobicContact CB-CG2 4.28Å; I157-V174 HydrophobicContact CD1-CG1 3.54Å; I157-V174 HydrophobicContact CD1-CG2 4.21Å; I157-V174 HydrophobicContact CG1-CG1 4.13Å; I157-V174 HydrophobicContact CG1-CG2 4.01Å; I166-V174 HydrophobicContact CG2-CB 4.21Å; I166-V174 HydrophobicContact CG2-CG2 3.88Å; V174-L207 HydrophobicContact CB-CB 4.17Å; V174-L207 HydrophobicContact CG1-CB 4.08Å; V174-L207 HydrophobicContact CG1-CD1 4.04Å; V174-L207 HydrophobicContact CG1-CG 4.47Å; V174-L207 PolarHBondContact O-N 3.08Å; V174-T208 HydrophobicContact CB-CG2 3.88Å; V174-T208 HydrophobicContact CG2-CG2 3.88Å; V174-T208 PolarHBondContact N-OG1 3.26Å; V174-L272 HydrophobicContact CG1-CD2 4.06Å; V174-L273 CarbonylContact C-O 3.5Å; V174-L273 VanDerWaalsContact CA-O 3.3Å; V174-L273 WeakPolarHBondContact CA-O 3.5Å; V174-I274 HydrophobicContact CG1-CG1 4.45Å; V174-I274 HydrophobicContact CG2-CG1 4.17Å; V174-I274 HydrophobicContact CG2-CG2 4.07Å
175	V	98.6	Very high	87	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.5	179.8	-180	0	0	0	0	109.3	K173 A204 L272 L273 W280 P285 V289	K173-V175 HydrophobicContact CB-CG2 4.47Å; V175-A204 HydrophobicContact CG1-CB 3.85Å; V175-L272 CarbonylContact O-C 3.52Å; V175-L272 WeakPolarHBondContact O-CA 3.43Å; V175-L273 PolarHBondContact N-O 3.29Å; V175-L273 PolarHBondContact O-N 3.32Å; V175-W280 HydrophobicContact CB-CH2 3.88Å; V175-W280 HydrophobicContact CB-CZ2 4.49Å; V175-W280 HydrophobicContact CG2-CH2 3.43Å; V175-W280 VanDerWaalsContact CG2-CH2 3.43Å; V175-W280 HydrophobicContact CG2-CZ2 3.85Å; V175-W280 HydrophobicContact CG2-CZ3 3.88Å; V175-P285 HydrophobicContact CG1-CB 4.04Å; V175-P285 HydrophobicContact CG2-CB 3.94Å; V175-P285 HydrophobicContact CG2-CG 4.18Å; V175-V289 HydrophobicContact CG1-CG2 3.77Å
176	L	98.5	Very high	84.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.5	176	174.4	64.6	0	0	0	110.1	I205 L207 D269 L272 F354	L176-I205 HydrophobicContact CB-CB 4.32Å; L176-I205 PolarHBondContact N-O 3.2Å; L176-I205 PolarHBondContact O-N 3.05Å; L176-L207 HydrophobicContact CB-CD1 3.87Å; L176-L207 HydrophobicContact CB-CG 4.11Å; L176-L207 HydrophobicContact CD2-CD1 4.39Å; L176-D269 HydrophobicContact CD1-CB 4.06Å; L176-D269 WeakPolarHBondContact CD2-OD1 3.48Å; L176-L272 HydrophobicContact CB-CD2 3.62Å; L176-L272 HydrophobicContact CD1-CD2 3.61Å; L176-L272 HydrophobicContact CD1-CG 3.77Å; L176-L272 HydrophobicContact CG-CD2 4.18Å; L176-F354 HydrophobicContact CD1-CE2 4.42Å
177	A	97.4	Very high	81.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113	170.2	0	0	0	0	0	109.8	L202 Q270 F271 V289	A177-L202 HydrophobicContact CB-CD1 4.06Å; A177-L202 HydrophobicContact CB-CD2 3.94Å; A177-L202 HydrophobicContact CB-CG 3.99Å; A177-Q270 HydrophobicContact CB-CB 4.42Å; A177-Q270 PolarHBondContact O-N 3.25Å; A177-F271 HydrophobicContact CB-CD1 3.92Å; A177-F271 HydrophobicContact CB-CD2 3.69Å; A177-F271 HydrophobicContact CB-CE1 3.64Å; A177-F271 HydrophobicContact CB-CE2 3.4Å; A177-F271 VanDerWaalsContact CB-CE2 3.4Å; A177-F271 HydrophobicContact CB-CG 3.93Å; A177-F271 HydrophobicContact CB-CZ 3.37Å; A177-F271 PolarHBondContact N-O 3.01Å; A177-V289 HydrophobicContact CB-CG1 3.73Å; A177-V289 HydrophobicContact CB-CG2 4.1Å
178	R	95.4	Very high	78.5	Confident	49 Å²	49	53.2 Å²	53.2	19%	0.185	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.2	-179.1	178	171.2	-69.8	-172.8	-2.5	110.3	N203 I205 Q264 N268 D269	R178-N203 PolarHBondContact N-O 3.06Å; R178-N203 PolarHBondContact O-N 2.93Å; R178-I205 HydrophobicContact CB-CD1 3.72Å; R178-I205 HydrophobicContact CG-CD1 4.34Å; R178-Q264 PolarHBondContact NH2-O 3.05Å; R178-N268 WeakPolarHBondContact CA-O 3.47Å; R178-N268 HydrophobicContact CG-CB 3.77Å; R178-D269 IonicContact CZ-OD1 3.09Å; R178-D269 VanDerWaalsContact CZ-OD1 3.26Å; R178-D269 IonicContact CZ-OD2 2.81Å; R178-D269 IonicContact NE-OD1 2.71Å; R178-D269 PolarHBondContact NE-OD1 2.88Å; R178-D269 IonicContact NE-OD2 2.6Å; R178-D269 VanDerWaalsContact NH2-CG 3.26Å; R178-D269 IonicContact NH2-OD1 2.59Å; R178-D269 PolarHBondContact NH2-OD1 2.81Å; R178-D269 IonicContact NH2-OD2 2.61Å; R178-D269 PolarHBondContact NH2-OD2 3.24Å
179	L	92.1	Very high	75.6	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	138	172.1	-66.5	174.8	0	0	0	110.6	P200 L202 N268 Q270 R361	L179-P200 HydrophobicContact CD2-CB 3.94Å; L179-P200 HydrophobicContact CD2-CG 4.1Å; L179-L202 HydrophobicContact CD2-CD1 3.7Å; L179-L202 HydrophobicContact CG-CD1 4.14Å; L179-N268 HydrophobicContact CB-CB 4.29Å; L179-N268 PolarHBondContact N-O 3.15Å; L179-Q270 HydrophobicContact CD1-CG 4.3Å; L179-Q270 HydrophobicContact CD2-CG 4.33Å; L179-Q270 HydrophobicContact CG-CG 3.83Å; L179-R361 HydrophobicContact CD1-CB 3.91Å; L179-R361 HydrophobicContact CD1-CG 3.73Å
180	D	84.6	Confident	72.7	Confident	54 Å²	54	65 Å²	65	29%	0.289	35%	0.353	S	S	.	.			trans	-64.8	132.7	171.9	-153.4	-36.8	0	0	0	110.1	S182 K201 N203	D180-S182 WeakPolarHBondContact OD1-CB 3.29Å; D180-S182 PolarHBondContact OD1-N 3.29Å; D180-S182 VanDerWaalsContact OD1-N 3.1Å; D180-S182 PolarHBondContact OD1-OG 2.8Å; D180-K201 PolarHBondContact N-O 3.37Å; D180-K201 VanDerWaalsContact N-O 3.12Å; D180-N203 PolarHBondContact OD2-ND2 3.37Å
181	E	72.5	Confident	70	Confident	106 Å²	106	71.1 Å²	71.1	50%	0.495	39%	0.389	S	S	.	.	S	Bend	trans	-73.6	-21.5	175.8	-77.2	179.5	-172	0	0	111.9	P183 N268	E181-P183 WeakPolarHBondContact O-CD 3.33Å; E181-N268 WeakPolarHBondContact CG-ND2 3.22Å; E181-N268 PolarHBondContact OE1-ND2 3.41Å
182	S	60.3	Low	67.3	Low	77 Å²	77	77.2 Å²	77.2	54%	0.538	42%	0.422	S	S	.	.			trans	-76.2	108.6	-176.4	-31.7	0	0	0	0	109.5	D180 S184	D180-S182 WeakPolarHBondContact OD1-CB 3.29Å; D180-S182 PolarHBondContact OD1-N 3.29Å; D180-S182 VanDerWaalsContact OD1-N 3.1Å; D180-S182 PolarHBondContact OD1-OG 2.8Å; S182-S184 PolarHBondContact O-N 3.22Å
183	P	50.4	Low	64.8	Low	122 Å²	122	80.6 Å²	80.6	79%	0.792	45%	0.446	S	S	*	.			trans	-63.5	95.6	155.8	26.5	-30.6	0	0	0	105.5	E181 E185	E181-P183 WeakPolarHBondContact O-CD 3.33Å; P183-E185 PolarHBondContact O-N 2.81Å
184	S	44	Very low	62	Low	53 Å²	53	83.8 Å²	83.8	37%	0.371	47%	0.472	S	S	.	.			trans	-58.1	113.5	177	50.4	0	0	0	0	107.8	S182 S186 N187	S182-S184 PolarHBondContact O-N 3.22Å; S184-S186 WeakPolarHBondContact CB-OG 3.43Å; S184-S186 PolarHBondContact O-N 2.97Å; S184-N187 PolarHBondContact O-N 2.99Å
185	E	46.4	Very low	59.2	Low	194 Å²	194	91.5 Å²	91.5	91%	0.907	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-9.1	168.6	-76.4	-173.9	149.9	0	0	112.3	P183 N187	P183-E185 PolarHBondContact O-N 2.81Å; E185-N187 VanDerWaalsContact C-N 3.33Å
186	S	41.8	Very low	56.3	Low	95 Å²	95	96.8 Å²	96.8	66%	0.664	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	11	170.8	64.3	0	0	0	0	115.3	S184 K188	S184-S186 WeakPolarHBondContact CB-OG 3.43Å; S184-S186 PolarHBondContact O-N 2.97Å; S186-K188 PolarHBondContact O-N 3.4Å
187	N	44	Very low	53.6	Low	107 Å²	107	102 Å²	102	57%	0.572	57%	0.573	S	S	*	*			trans	-72.3	41.4	155.4	-82.3	-5.2	0	0	0	111	S184 E185 V189	S184-N187 PolarHBondContact O-N 2.99Å; E185-N187 VanDerWaalsContact C-N 3.33Å; N187-V189 VanDerWaalsContact C-N 3.27Å; N187-V189 PolarHBondContact O-N 3.43Å
188	K	32.6	Very low	51.2	Low	179 Å²	179	105.7 Å²	105.7	78%	0.778	60%	0.599	S	S	*	*			trans	-60.5	100.7	159.7	-79.8	-174.7	177.5	177.4	0	105.7	S186 D190	S186-K188 PolarHBondContact O-N 3.4Å; K188-D190 PolarHBondContact O-N 3.29Å
189	V	39.3	Very low	49.3	Very low	118 Å²	118	107 Å²	107	72%	0.715	61%	0.61	S	S	*	*			trans	-47.8	106.4	170.5	178.9	0	0	0	0	107.4	N187 V191	N187-V189 VanDerWaalsContact C-N 3.27Å; N187-V189 PolarHBondContact O-N 3.43Å; V189-V191 HydrophobicContact CG1-CG2 4.2Å; V189-V191 PolarHBondContact O-N 3.46Å
190	D	37.3	Very low	48	Very low	134 Å²	134	108.6 Å²	108.6	72%	0.717	62%	0.62	S	S	*	*			trans	-63.2	98.1	156.8	-82.9	-33.4	0	0	0	105.5	K188 N192 S193	K188-D190 PolarHBondContact O-N 3.29Å; D190-N192 PolarHBondContact O-N 2.95Å; D190-S193 PolarHBondContact O-N 2.88Å
191	V	41.9	Very low	47.9	Very low	128 Å²	128	112.8 Å²	112.8	78%	0.776	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-11.6	-178.8	176.8	0	0	0	0	112.2	V189	V189-V191 HydrophobicContact CG1-CG2 4.2Å; V189-V191 PolarHBondContact O-N 3.46Å
192	N	41.3	Very low	48.7	Very low	161 Å²	161	109.3 Å²	109.3	86%	0.861	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	3.9	179.8	-62.8	-19.2	0	0	0	114.8	D190	D190-N192 PolarHBondContact O-N 2.95Å
193	S	45.9	Very low	50.3	Low	72 Å²	72	108.1 Å²	108.1	50%	0.503	61%	0.608	S	S	.	*			trans	-100.4	90.7	169	-165.1	0	0	0	0	110.2	D190 N195	D190-S193 PolarHBondContact O-N 2.88Å; S193-N195 PolarHBondContact O-N 2.81Å
194	S	39.9	Very low	52.5	Low	102 Å²	102	103.2 Å²	103.2	71%	0.713	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	124.4	172.2	56.7	0	0	0	0	110.8
195	N	38.4	Very low	55.1	Low	163 Å²	163	103.2 Å²	103.2	87%	0.872	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.4	30.9	160.1	-67	-8.9	0	0	0	120.9	S193	S193-N195 PolarHBondContact O-N 2.81Å
196	T	38	Very low	57.5	Low	110 Å²	110	96.4 Å²	96.4	68%	0.675	55%	0.547	S	S	*	.			trans	-103.5	95.7	156.4	43.8	0	0	0	0	109.7	S198	T196-S198 PolarHBondContact O-N 3.21Å; T196-S198 VanDerWaalsContact O-N 3.11Å
197	L	42.6	Very low	60.2	Low	110 Å²	110	92.1 Å²	92.1	58%	0.576	52%	0.516	S	S	*	.			trans	-43.5	119	158.6	-172.1	69.9	0	0	0	106.5	N199	L197-N199 VanDerWaalsContact C-N 3.26Å; L197-N199 PolarHBondContact O-N 2.94Å
198	S	46	Very low	62.8	Low	78 Å²	78	87.9 Å²	87.9	55%	0.545	50%	0.495	S	S	.	.			trans	-62.2	89.1	-177.4	48.4	0	0	0	0	108.9	T196	T196-S198 PolarHBondContact O-N 3.21Å; T196-S198 VanDerWaalsContact O-N 3.11Å
199	N	55.2	Low	65.9	Low	78 Å²	78	84.6 Å²	84.6	42%	0.417	48%	0.48	S	S	.	.			trans	-55.9	128.4	176.6	-99.8	-3.2	0	0	0	107.4	L197 K201 E294	L197-N199 VanDerWaalsContact C-N 3.26Å; L197-N199 PolarHBondContact O-N 2.94Å; N199-K201 PolarHBondContact O-N 3.41Å; N199-E294 PolarHBondContact ND2-OE1 2.99Å
200	P	64.7	Low	68.7	Low	39 Å²	39	81.4 Å²	81.4	25%	0.253	46%	0.459	S	S	.	.			trans	-61.3	132.8	179.3	28.4	-35.5	0	0	0	108.6	L179 L202	L179-P200 HydrophobicContact CD2-CB 3.94Å; L179-P200 HydrophobicContact CD2-CG 4.1Å; P200-L202 PolarHBondContact O-N 3.17Å
201	K	82.7	Confident	71.6	Confident	142 Å²	142	75.2 Å²	75.2	62%	0.617	43%	0.426	S	S	*	.			trans	-68.7	108.9	-173.7	-172.7	-176.6	174.1	-165.4	0	109.5	D180 N199	D180-K201 PolarHBondContact N-O 3.37Å; D180-K201 VanDerWaalsContact N-O 3.12Å; N199-K201 PolarHBondContact O-N 3.41Å
202	L	90.6	Very high	74.1	Confident	33 Å²	33	72.1 Å²	72.1	17%	0.173	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.5	177.4	-164.6	64.8	0	0	0	109.4	A177 L179 P200 Q270 F271 V289 H293	A177-L202 HydrophobicContact CB-CD1 4.06Å; A177-L202 HydrophobicContact CB-CD2 3.94Å; A177-L202 HydrophobicContact CB-CG 3.99Å; L179-L202 HydrophobicContact CD2-CD1 3.7Å; L179-L202 HydrophobicContact CG-CD1 4.14Å; P200-L202 PolarHBondContact O-N 3.17Å; L202-Q270 HydrophobicContact CD1-CB 4.13Å; L202-Q270 HydrophobicContact CD1-CG 3.51Å; L202-F271 HydrophobicContact CD2-CE1 3.79Å; L202-F271 HydrophobicContact CD2-CZ 3.91Å; L202-V289 HydrophobicContact CB-CG1 4.38Å; L202-V289 HydrophobicContact CD2-CG1 3.43Å; L202-V289 VanDerWaalsContact CD2-CG1 3.43Å; L202-V289 HydrophobicContact CG-CG1 3.68Å; L202-H293 HydrophobicContact CD2-CB 3.78Å
203	N	93.9	Very high	76.8	Confident	52 Å²	52	64.4 Å²	64.4	28%	0.278	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.2	178.2	-68.9	-33.1	0	0	0	109.9	R178 D180	R178-N203 PolarHBondContact N-O 3.06Å; R178-N203 PolarHBondContact O-N 2.93Å; D180-N203 PolarHBondContact OD2-ND2 3.37Å
204	A	96.6	Very high	79.3	Confident	19 Å²	19	65.3 Å²	65.3	16%	0.157	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	106.3	171.6	0	0	0	0	0	110.2	V175 P285 N286 V289	V175-A204 HydrophobicContact CG1-CB 3.85Å; A204-P285 HydrophobicContact CB-CB 4.18Å; A204-N286 WeakPolarHBondContact CB-OD1 3.16Å; A204-V289 HydrophobicContact CB-CB 3.96Å; A204-V289 HydrophobicContact CB-CG1 4.39Å; A204-V289 HydrophobicContact CB-CG2 3.56Å
205	I	97.4	Very high	82	Confident	54 Å²	54	62.9 Å²	62.9	28%	0.277	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	108	-179.3	-54.3	174.6	0	0	0	108.7	L176 R178 L207	L176-I205 HydrophobicContact CB-CB 4.32Å; L176-I205 PolarHBondContact N-O 3.2Å; L176-I205 PolarHBondContact O-N 3.05Å; R178-I205 HydrophobicContact CB-CD1 3.72Å; R178-I205 HydrophobicContact CG-CD1 4.34Å; I205-L207 HydrophobicContact CG2-CD2 3.96Å; I205-L207 PolarHBondContact O-N 2.96Å
206	C	98	Very high	84.8	Confident	51 Å²	51	63.5 Å²	63.5	35%	0.345	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	117.8	171.2	-65.2	0	0	0	0	110.3	K261	C206-K261 PolarHBondContact O-NZ 2.94Å
207	L	98.5	Very high	87.6	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	33%	0.327	C	S	.	.			trans	-92.5	-2.6	176.9	-59.6	-176.6	0	0	0	112.6	L164 I166 V174 L176 I205 K261 C263 L272	L164-L207 HydrophobicContact CD1-CD1 4.13Å; I166-L207 HydrophobicContact CD1-CB 4.14Å; I166-L207 HydrophobicContact CD1-CD1 3.91Å; I166-L207 HydrophobicContact CG1-CB 4.02Å; I166-L207 HydrophobicContact CG1-CD1 4.16Å; V174-L207 HydrophobicContact CB-CB 4.17Å; V174-L207 HydrophobicContact CG1-CB 4.08Å; V174-L207 HydrophobicContact CG1-CD1 4.04Å; V174-L207 HydrophobicContact CG1-CG 4.47Å; V174-L207 PolarHBondContact O-N 3.08Å; L176-L207 HydrophobicContact CB-CD1 3.87Å; L176-L207 HydrophobicContact CB-CG 4.11Å; L176-L207 HydrophobicContact CD2-CD1 4.39Å; I205-L207 HydrophobicContact CG2-CD2 3.96Å; I205-L207 PolarHBondContact O-N 2.96Å; L207-K261 HydrophobicContact CD2-CD 4.49Å; L207-K261 WeakPolarHBondContact O-CD 3.43Å; L207-C263 HydrophobicContact CD1-CB 4.24Å; L207-C263 HydrophobicContact CD2-CB 4.07Å; L207-L272 HydrophobicContact CD1-CD2 3.85Å
208	T	98.4	Very high	90.3	Very high	19 Å²	19	59 Å²	59	12%	0.117	30%	0.3	C	S	.	.			trans	-120.2	157.6	173.3	60.4	0	0	0	0	111.2	I166 N168 K173 V174	I166-T208 HydrophobicContact CG2-CG2 3.74Å; N168-T208 HydrophobicContact CB-CG2 3.71Å; K173-T208 VanDerWaalsContact CA-OG1 3.29Å; K173-T208 WeakPolarHBondContact CA-OG1 3.35Å; K173-T208 WeakPolarHBondContact CB-OG1 3.4Å; V174-T208 HydrophobicContact CB-CG2 3.88Å; V174-T208 HydrophobicContact CG2-CG2 3.88Å; V174-T208 PolarHBondContact N-OG1 3.26Å
209	K	96.9	Very high	92.8	Very high	110 Å²	110	59.6 Å²	59.6	48%	0.478	29%	0.29	S	S	.	.			trans	-116.9	132.1	164.9	179.4	-169	172.1	-172.2	0	107	N168	N168-K209 PolarHBondContact ND2-O 2.81Å
210	D	97.5	Very high	94.8	Very high	51 Å²	51	61.3 Å²	61.3	27%	0.273	30%	0.296	S	S	.	.			trans	-65.1	151.5	177.8	-65.1	-3.1	0	0	0	111	G170 K173	G170-D210 WeakPolarHBondContact O-CA 3.29Å; K173-D210 IonicContact NZ-OD1 2.6Å; K173-D210 PolarHBondContact NZ-OD1 2.9Å; K173-D210 IonicContact NZ-OD2 3.79Å; K173-D210 PolarHBondContact NZ-OD2 2.93Å
211	H	98.3	Very high	96.4	Very high	3 Å²	3	62.8 Å²	62.8	1%	0.014	30%	0.296	C	S	.	.			trans	-109.2	88.6	173.8	-63.4	141.8	0	0	0	110.1	N168 G170 S241 R242 D259	N168-H211 PolarHBondContact O-CE1 2.69Å; N168-H211 VanDerWaalsContact O-CE1 3.24Å; G170-H211 PolarHBondContact N-ND1 2.76Å; G170-H211 VanDerWaalsContact N-ND1 3.2Å; G170-H211 PolarHBondContact O-N 3.39Å; H211-S241 WeakPolarHBondContact CB-OG 3.26Å; H211-S241 PolarHBondContact O-N 2.93Å; H211-S241 PolarHBondContact O-OG 2.97Å; H211-R242 HydrophobicContact CB-CB 4.13Å; H211-R242 HydrophobicContact CB-CG 3.91Å; H211-R242 PolarHBondContact NE2-NH1 3.42Å; H211-D259 IonicContact NE2-OD1 3.02Å; H211-D259 IonicContact NE2-OD2 3.26Å; H211-D259 PolarHBondContact NE2-OD2 3.33Å
212	N	96	Very high	97.2	Very high	63 Å²	63	56 Å²	56	34%	0.337	27%	0.267	S	S	.	.			trans	-100.9	138.4	179.8	-168.2	-65.8	0	0	0	110.9	M214 D215 E218	N212-M214 PolarHBondContact O-N 2.98Å; N212-M214 VanDerWaalsContact OD1-CB 3.32Å; N212-M214 WeakPolarHBondContact OD1-CB 3.25Å; N212-M214 WeakPolarHBondContact OD1-CG 3.38Å; N212-M214 PolarHBondContact OD1-N 3.34Å; N212-D215 PolarHBondContact N-OD2 3.33Å; N212-D215 WeakPolarHBondContact O-CB 3.37Å; N212-D215 PolarHBondContact O-N 3.32Å; N212-E218 WeakPolarHBondContact O-CB 3.24Å
213	P	98.1	Very high	97.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.1	173.4	-29.7	38.5	0	0	0	115.4	R219 I222 V229 G232 V234 E239	P213-R219 WeakPolarHBondContact O-CA 3.38Å; P213-R219 VanDerWaalsContact O-CB 3.23Å; P213-R219 WeakPolarHBondContact O-CB 3.39Å; P213-I222 HydrophobicContact CB-CD1 4.25Å; P213-V229 HydrophobicContact CB-CG1 3.87Å; P213-V229 HydrophobicContact CB-CG2 4.34Å; P213-V229 VanDerWaalsContact O-CG1 3.28Å; P213-V229 WeakPolarHBondContact O-CG1 3.44Å; P213-G232 WeakPolarHBondContact CD-O 3.29Å; P213-G232 VanDerWaalsContact CG-O 3.32Å; P213-G232 WeakPolarHBondContact CG-O 3.48Å; P213-V234 HydrophobicContact CB-CG2 4.06Å; P213-V234 HydrophobicContact CG-CG2 3.79Å; P213-E239 WeakPolarHBondContact CD-O 3.22Å
214	M	97	Very high	97.7	Very high	91 Å²	91	60.2 Å²	60.2	45%	0.448	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-15.3	177.3	-65	-65.3	-64.7	0	0	114.2	N212 V229	N212-M214 PolarHBondContact O-N 2.98Å; N212-M214 VanDerWaalsContact OD1-CB 3.32Å; N212-M214 WeakPolarHBondContact OD1-CB 3.25Å; N212-M214 WeakPolarHBondContact OD1-CG 3.38Å; N212-M214 PolarHBondContact OD1-N 3.34Å; M214-V229 HydrophobicContact SD-CG1 3.71Å
215	D	97.4	Very high	97.8	Very high	50 Å²	50	62.6 Å²	62.6	27%	0.267	31%	0.311	S	S	.	.	S	Bend	trans	-62.2	139.2	175.5	-68.3	-37.5	0	0	0	109.9	N212 E217 E218 R219	N212-D215 PolarHBondContact N-OD2 3.33Å; N212-D215 WeakPolarHBondContact O-CB 3.37Å; N212-D215 PolarHBondContact O-N 3.32Å; D215-E217 PolarHBondContact O-N 3.24Å; D215-E218 HydrophobicContact CB-CB 4.03Å; D215-E218 HydrophobicContact CB-CG 3.7Å; D215-E218 PolarHBondContact O-N 3.45Å; D215-R219 WeakPolarHBondContact O-CB 3.3Å; D215-R219 PolarHBondContact O-N 3.45Å
216	Y	97.3	Very high	97.8	Very high	177 Å²	177	63.5 Å²	63.5	69%	0.694	33%	0.333	S	S	*	.	H	α-helix	trans	-53.4	-51.7	-169.6	178.3	-97.3	0	0	0	113.7	Q220	Y216-Q220 WeakPolarHBondContact O-CB 3.49Å; Y216-Q220 PolarHBondContact O-N 2.91Å
217	E	97.3	Very high	97.7	Very high	122 Å²	122	61.5 Å²	61.5	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-68.5	-39.1	-178.7	-62.9	-179.4	163.4	0	0	112.2	D215 R221	D215-E217 PolarHBondContact O-N 3.24Å; E217-R221 WeakPolarHBondContact O-CB 3.45Å; E217-R221 PolarHBondContact O-N 2.95Å
218	E	98.2	Very high	97.7	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-48.2	178.7	-55.4	-62.9	108.1	0	0	110.4	N212 D215 Q220 R221 I222 S241 R242	N212-E218 WeakPolarHBondContact O-CB 3.24Å; D215-E218 HydrophobicContact CB-CB 4.03Å; D215-E218 HydrophobicContact CB-CG 3.7Å; D215-E218 PolarHBondContact O-N 3.45Å; E218-Q220 PolarHBondContact O-N 3.48Å; E218-R221 VanDerWaalsContact CD-NH1 3.25Å; E218-R221 WeakPolarHBondContact O-CB 3.46Å; E218-R221 PolarHBondContact O-N 3.38Å; E218-R221 IonicContact OE1-CZ 3.27Å; E218-R221 IonicContact OE1-NH1 3.37Å; E218-R221 PolarHBondContact OE1-NH1 3.32Å; E218-R221 IonicContact OE1-NH2 3.94Å; E218-R221 IonicContact OE2-CZ 2.8Å; E218-R221 IonicContact OE2-NH1 3.24Å; E218-R221 PolarHBondContact OE2-NH1 3.01Å; E218-R221 IonicContact OE2-NH2 2.81Å; E218-R221 PolarHBondContact OE2-NH2 3.13Å; E218-I222 WeakPolarHBondContact O-CD1 3.42Å; E218-I222 WeakPolarHBondContact O-CG1 3.49Å; E218-I222 PolarHBondContact O-N 3.42Å; E218-S241 WeakPolarHBondContact OE2-CB 3.39Å; E218-S241 PolarHBondContact OE2-OG 3Å; E218-R242 IonicContact OE1-CZ 3.6Å; E218-R242 IonicContact OE1-NE 3.99Å; E218-R242 PolarHBondContact OE1-NE 2.82Å; E218-R242 IonicContact OE1-NH2 2.66Å; E218-R242 PolarHBondContact OE1-NH2 3.11Å; E218-R242 VanDerWaalsContact OE2-CG 3.29Å; E218-R242 WeakPolarHBondContact OE2-CG 3.38Å; E218-R242 IonicContact OE2-CZ 3.66Å; E218-R242 IonicContact OE2-NE 3.49Å; E218-R242 PolarHBondContact OE2-NE 2.8Å; E218-R242 IonicContact OE2-NH2 3.35Å
219	R	98.2	Very high	97.6	Very high	90 Å²	90	62.7 Å²	62.7	34%	0.34	33%	0.33	S	S	.	.	H	α-helix	trans	-58.6	-47.2	176.2	-174.8	173.1	174.9	163.3	3.9	111.4	P213 D215 R221 I222 Q223 V229	P213-R219 WeakPolarHBondContact O-CA 3.38Å; P213-R219 VanDerWaalsContact O-CB 3.23Å; P213-R219 WeakPolarHBondContact O-CB 3.39Å; D215-R219 WeakPolarHBondContact O-CB 3.3Å; D215-R219 PolarHBondContact O-N 3.45Å; R219-R221 VanDerWaalsContact C-N 3.33Å; R219-R221 PolarHBondContact O-N 2.84Å; R219-I222 PolarHBondContact O-N 3.22Å; R219-Q223 HydrophobicContact CG-CG 4.22Å; R219-Q223 WeakPolarHBondContact O-CB 3.42Å; R219-Q223 WeakPolarHBondContact O-CG 3.24Å; R219-Q223 PolarHBondContact O-N 3.3Å; R219-V229 HydrophobicContact CG-CB 4.24Å; R219-V229 HydrophobicContact CG-CG1 4.4Å; R219-V229 HydrophobicContact CG-CG2 4.18Å
220	Q	98.1	Very high	97.6	Very high	115 Å²	115	62.5 Å²	62.5	54%	0.537	33%	0.331	S	S	.	.	H	α-helix	trans	-59.6	-45.4	178.3	-173.4	-177.5	40	0	0	111	Y216 E218 I222 Q223 A224	Y216-Q220 WeakPolarHBondContact O-CB 3.49Å; Y216-Q220 PolarHBondContact O-N 2.91Å; E218-Q220 PolarHBondContact O-N 3.48Å; Q220-I222 PolarHBondContact O-N 3.02Å; Q220-Q223 PolarHBondContact O-N 3.2Å; Q220-A224 VanDerWaalsContact O-CB 3.3Å; Q220-A224 WeakPolarHBondContact O-CB 3.46Å; Q220-A224 PolarHBondContact O-N 3.16Å
221	R	98.1	Very high	97.4	Very high	70 Å²	70	67.7 Å²	67.7	26%	0.264	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-44.1	177.8	-176.2	179.4	68.4	-116.2	-1.4	112.3	E217 E218 R219 S241 G253	E217-R221 WeakPolarHBondContact O-CB 3.45Å; E217-R221 PolarHBondContact O-N 2.95Å; E218-R221 VanDerWaalsContact CD-NH1 3.25Å; E218-R221 WeakPolarHBondContact O-CB 3.46Å; E218-R221 PolarHBondContact O-N 3.38Å; E218-R221 IonicContact OE1-CZ 3.27Å; E218-R221 IonicContact OE1-NH1 3.37Å; E218-R221 PolarHBondContact OE1-NH1 3.32Å; E218-R221 IonicContact OE1-NH2 3.94Å; E218-R221 IonicContact OE2-CZ 2.8Å; E218-R221 IonicContact OE2-NH1 3.24Å; E218-R221 PolarHBondContact OE2-NH1 3.01Å; E218-R221 IonicContact OE2-NH2 2.81Å; E218-R221 PolarHBondContact OE2-NH2 3.13Å; R219-R221 VanDerWaalsContact C-N 3.33Å; R219-R221 PolarHBondContact O-N 2.84Å; R221-S241 PolarHBondContact NH2-O 2.82Å; R221-S241 VanDerWaalsContact NH2-O 3.1Å; R221-G253 PolarHBondContact NE-O 3.12Å
222	I	98.5	Very high	97.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-69	-47.7	179.9	-69.3	157.8	0	0	0	111	P213 E218 R219 Q220 A224 T225 A227 V229 V234	P213-I222 HydrophobicContact CB-CD1 4.25Å; E218-I222 WeakPolarHBondContact O-CD1 3.42Å; E218-I222 WeakPolarHBondContact O-CG1 3.49Å; E218-I222 PolarHBondContact O-N 3.42Å; R219-I222 PolarHBondContact O-N 3.22Å; Q220-I222 PolarHBondContact O-N 3.02Å; I222-A224 VanDerWaalsContact C-N 3.29Å; I222-A224 PolarHBondContact O-N 3.09Å; I222-T225 PolarHBondContact O-N 2.89Å; I222-T225 VanDerWaalsContact O-N 3.17Å; I222-T225 PolarHBondContact O-OG1 3.39Å; I222-A227 HydrophobicContact CG2-CB 3.79Å; I222-V229 HydrophobicContact CB-CG2 4.07Å; I222-V229 HydrophobicContact CD1-CG2 4.36Å; I222-V229 HydrophobicContact CG2-CG2 3.62Å; I222-V234 HydrophobicContact CD1-CG2 3.72Å; I222-V234 HydrophobicContact CG1-CG2 4.45Å; I222-V234 HydrophobicContact CG2-CG1 3.91Å; I222-V234 HydrophobicContact CG2-CG2 4.4Å
223	Q	98.1	Very high	97.3	Very high	87 Å²	87	69.1 Å²	69.1	41%	0.407	36%	0.363	S	S	.	.	H	α-helix	trans	-68.7	-27.2	-178	-67.1	-171.4	-63.4	0	0	112.9	R219 Q220 T225 G226 A227 V229	R219-Q223 HydrophobicContact CG-CG 4.22Å; R219-Q223 WeakPolarHBondContact O-CB 3.42Å; R219-Q223 WeakPolarHBondContact O-CG 3.24Å; R219-Q223 PolarHBondContact O-N 3.3Å; Q220-Q223 PolarHBondContact O-N 3.2Å; Q223-T225 PolarHBondContact O-N 3.47Å; Q223-G226 PolarHBondContact O-N 2.82Å; Q223-A227 WeakPolarHBondContact CA-O 3.29Å; Q223-V229 HydrophobicContact CG-CG2 4.31Å
224	A	98	Very high	97.3	Very high	86 Å²	86	69.1 Å²	69.1	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.5	174	0	0	0	0	0	113.4	Q220 I222 G226	Q220-A224 VanDerWaalsContact O-CB 3.3Å; Q220-A224 WeakPolarHBondContact O-CB 3.46Å; Q220-A224 PolarHBondContact O-N 3.16Å; I222-A224 VanDerWaalsContact C-N 3.29Å; I222-A224 PolarHBondContact O-N 3.09Å; A224-G226 VanDerWaalsContact C-N 3.35Å
225	T	97.8	Very high	97.3	Very high	69 Å²	69	67.1 Å²	67.1	42%	0.423	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	2.1	174.6	78	0	0	0	0	113.1	I222 Q223 A227 Q252	I222-T225 PolarHBondContact O-N 2.89Å; I222-T225 VanDerWaalsContact O-N 3.17Å; I222-T225 PolarHBondContact O-OG1 3.39Å; Q223-T225 PolarHBondContact O-N 3.47Å; T225-A227 VanDerWaalsContact C-N 3.33Å; T225-Q252 VanDerWaalsContact OG1-CA 3.27Å; T225-Q252 WeakPolarHBondContact OG1-CA 3.23Å
226	G	97.5	Very high	97.2	Very high	72 Å²	72	67.9 Å²	67.9	74%	0.742	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	3.8	-173.5	0	0	0	0	0	115.1	Q223 A224	Q223-G226 PolarHBondContact O-N 2.82Å; A224-G226 VanDerWaalsContact C-N 3.35Å
227	A	97.6	Very high	97.2	Very high	9 Å²	9	63.6 Å²	63.6	7%	0.074	36%	0.356	C	S	.	.			trans	-75.7	150.5	174	0	0	0	0	0	111	I222 Q223 T225 V234 Q252	I222-A227 HydrophobicContact CG2-CB 3.79Å; Q223-A227 WeakPolarHBondContact CA-O 3.29Å; T225-A227 VanDerWaalsContact C-N 3.33Å; A227-V234 HydrophobicContact CB-CG1 4.48Å; A227-Q252 HydrophobicContact CB-CB 3.8Å; A227-Q252 HydrophobicContact CB-CG 4.27Å
228	S	97	Very high	97.2	Very high	39 Å²	39	58.3 Å²	58.3	27%	0.273	33%	0.331	S	S	.	.			trans	-91	149.4	177.2	71.6	0	0	0	0	111.4	N235	S228-N235 PolarHBondContact N-OD1 3.27Å; S228-N235 PolarHBondContact O-N 2.95Å; S228-N235 WeakPolarHBondContact OG-CA 3.21Å; S228-N235 PolarHBondContact OG-OD1 3.4Å
229	V	97.8	Very high	97.2	Very high	9 Å²	9	62.8 Å²	62.8	6%	0.055	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.9	166.9	174.5	0	0	0	0	107.1	P213 M214 R219 I222 Q223 R233	P213-V229 HydrophobicContact CB-CG1 3.87Å; P213-V229 HydrophobicContact CB-CG2 4.34Å; P213-V229 VanDerWaalsContact O-CG1 3.28Å; P213-V229 WeakPolarHBondContact O-CG1 3.44Å; M214-V229 HydrophobicContact SD-CG1 3.71Å; R219-V229 HydrophobicContact CG-CB 4.24Å; R219-V229 HydrophobicContact CG-CG1 4.4Å; R219-V229 HydrophobicContact CG-CG2 4.18Å; I222-V229 HydrophobicContact CB-CG2 4.07Å; I222-V229 HydrophobicContact CD1-CG2 4.36Å; I222-V229 HydrophobicContact CG2-CG2 3.62Å; Q223-V229 HydrophobicContact CG-CG2 4.31Å; V229-R233 WeakPolarHBondContact CA-O 3.33Å
230	Q	95.1	Very high	97.2	Very high	107 Å²	107	58.8 Å²	58.8	50%	0.5	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.7	-179.1	-65.3	-177.6	-2.8	0	0	109.4	G232 R233 S236	Q230-G232 VanDerWaalsContact C-N 3.26Å; Q230-G232 PolarHBondContact O-N 2.83Å; Q230-R233 PolarHBondContact N-O 2.72Å; Q230-R233 PolarHBondContact O-N 2.79Å; Q230-S236 PolarHBondContact OE1-OG 3.37Å
231	N	94.4	Very high	97.2	Very high	159 Å²	159	53.3 Å²	53.3	85%	0.85	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	43.2	177.6	-57	-25.4	0	0	0	113.8	R233	N231-R233 VanDerWaalsContact C-N 3.28Å; N231-R233 PolarHBondContact O-N 2.87Å
232	G	94.4	Very high	97.2	Very high	14 Å²	14	50.9 Å²	50.9	14%	0.144	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	3.5	-179	0	0	0	0	0	115.5	P213 Q230	P213-G232 WeakPolarHBondContact CD-O 3.29Å; P213-G232 VanDerWaalsContact CG-O 3.32Å; P213-G232 WeakPolarHBondContact CG-O 3.48Å; Q230-G232 VanDerWaalsContact C-N 3.26Å; Q230-G232 PolarHBondContact O-N 2.83Å
233	R	98.1	Very high	97.2	Very high	83 Å²	83	50.9 Å²	50.9	31%	0.313	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140	-172.6	-66	-178.6	-175.8	-101.2	2.5	114	V229 Q230 N231 N235 V237 L238 E239	V229-R233 WeakPolarHBondContact CA-O 3.33Å; Q230-R233 PolarHBondContact N-O 2.72Å; Q230-R233 PolarHBondContact O-N 2.79Å; N231-R233 VanDerWaalsContact C-N 3.28Å; N231-R233 PolarHBondContact O-N 2.87Å; R233-N235 PolarHBondContact O-N 2.89Å; R233-V237 PolarHBondContact NH1-O 2.92Å; R233-L238 CarbonylContact C-O 3.59Å; R233-L238 WeakPolarHBondContact CA-O 3.33Å; R233-E239 HydrophobicContact CG-CG 3.6Å; R233-E239 IonicContact CZ-OE1 2.66Å; R233-E239 IonicContact CZ-OE2 3.72Å; R233-E239 VanDerWaalsContact CZ-OE2 3.32Å; R233-E239 IonicContact NE-OE1 2.78Å; R233-E239 IonicContact NH1-OE1 2.76Å; R233-E239 IonicContact NH1-OE2 2.8Å; R233-E239 PolarHBondContact NH1-OE2 3.31Å; R233-E239 IonicContact NH2-OE1 3.17Å; R233-E239 PolarHBondContact NH2-OE1 3.03Å; R233-E239 IonicContact NH2-OE2 3.75Å; R233-E239 PolarHBondContact NH2-OE2 3.3Å
234	V	97.6	Very high	97.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.6	167.6	-173.4	0	0	0	0	108.9	P213 I222 A227 S236 V237 L238 F249 V254	P213-V234 HydrophobicContact CB-CG2 4.06Å; P213-V234 HydrophobicContact CG-CG2 3.79Å; I222-V234 HydrophobicContact CD1-CG2 3.72Å; I222-V234 HydrophobicContact CG1-CG2 4.45Å; I222-V234 HydrophobicContact CG2-CG1 3.91Å; I222-V234 HydrophobicContact CG2-CG2 4.4Å; A227-V234 HydrophobicContact CB-CG1 4.48Å; V234-S236 PolarHBondContact O-N 2.9Å; V234-S236 VanDerWaalsContact O-N 3.11Å; V234-V237 PolarHBondContact O-N 2.98Å; V234-L238 HydrophobicContact CB-CB 4.31Å; V234-L238 PolarHBondContact N-O 3.05Å; V234-L238 PolarHBondContact O-N 2.86Å; V234-F249 HydrophobicContact CB-CD1 4.44Å; V234-F249 HydrophobicContact CG1-CD1 4.03Å; V234-V254 HydrophobicContact CG1-CG2 4.49Å; V234-V254 HydrophobicContact CG2-CG2 4.24Å
235	N	96.9	Very high	97.3	Very high	49 Å²	49	42.8 Å²	42.8	26%	0.262	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	34.5	-175	-67.9	-36.3	0	0	0	113.6	S228 R233 V237 Q252	S228-N235 PolarHBondContact N-OD1 3.27Å; S228-N235 PolarHBondContact O-N 2.95Å; S228-N235 WeakPolarHBondContact OG-CA 3.21Å; S228-N235 PolarHBondContact OG-OD1 3.4Å; R233-N235 PolarHBondContact O-N 2.89Å; N235-V237 PolarHBondContact O-N 2.81Å; N235-V237 VanDerWaalsContact O-N 3.16Å; N235-Q252 PolarHBondContact ND2-NE2 3.19Å; N235-Q252 PolarHBondContact ND2-OE1 2.81Å
236	S	96	Very high	97.3	Very high	66 Å²	66	39.6 Å²	39.6	46%	0.462	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	16.2	-177.9	-51.3	0	0	0	0	115	Q230 V234	Q230-S236 PolarHBondContact OE1-OG 3.37Å; V234-S236 PolarHBondContact O-N 2.9Å; V234-S236 VanDerWaalsContact O-N 3.11Å
237	V	96.9	Very high	97.3	Very high	87 Å²	87	40.8 Å²	40.8	53%	0.527	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-62	-178	179.3	0	0	0	0	112.1	R233 V234 N235 F249	R233-V237 PolarHBondContact NH1-O 2.92Å; V234-V237 PolarHBondContact O-N 2.98Å; N235-V237 PolarHBondContact O-N 2.81Å; N235-V237 VanDerWaalsContact O-N 3.16Å; V237-F249 HydrophobicContact CB-CE1 4.27Å; V237-F249 HydrophobicContact CB-CZ 3.78Å; V237-F249 HydrophobicContact CG1-CE2 4.4Å; V237-F249 HydrophobicContact CG1-CZ 3.68Å
238	L	97.8	Very high	97.2	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.052	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-91.9	127.5	-169.7	-178.6	68.7	0	0	0	112.2	H89 R233 V234 V240 D246 F249 V254	H89-L238 VanDerWaalsContact NE2-CD1 3.25Å; H89-L238 WeakPolarHBondContact NE2-CD1 3.28Å; R233-L238 CarbonylContact C-O 3.59Å; R233-L238 WeakPolarHBondContact CA-O 3.33Å; V234-L238 HydrophobicContact CB-CB 4.31Å; V234-L238 PolarHBondContact N-O 3.05Å; V234-L238 PolarHBondContact O-N 2.86Å; L238-V240 HydrophobicContact CD1-CG2 3.89Å; L238-V240 HydrophobicContact CD2-CG2 4.26Å; L238-V240 WeakPolarHBondContact CD2-O 3.45Å; L238-V240 HydrophobicContact CG-CG2 4Å; L238-V240 WeakPolarHBondContact CG-O 3.43Å; L238-D246 HydrophobicContact CD2-CB 4.39Å; L238-F249 HydrophobicContact CB-CD1 4.41Å; L238-F249 HydrophobicContact CB-CD2 4.22Å; L238-F249 HydrophobicContact CB-CE1 4.16Å; L238-F249 HydrophobicContact CB-CE2 3.9Å; L238-F249 HydrophobicContact CB-CG 4.49Å; L238-F249 HydrophobicContact CB-CZ 3.91Å; L238-F249 HydrophobicContact CD2-CB 4.29Å; L238-F249 HydrophobicContact CD2-CD2 3.86Å; L238-F249 HydrophobicContact CD2-CE2 4.35Å; L238-F249 HydrophobicContact CD2-CG 4.02Å; L238-V254 HydrophobicContact CD2-CG1 4.16Å; L238-V254 HydrophobicContact CD2-CG2 3.83Å
239	E	96.5	Very high	97.2	Very high	98 Å²	98	42.2 Å²	42.2	46%	0.458	21%	0.214	S	C	.	.	S	Bend	trans	-83.8	-10.3	-175.9	-79.4	174.3	134.6	0	0	115.5	P213 R233	P213-E239 WeakPolarHBondContact CD-O 3.22Å; R233-E239 HydrophobicContact CG-CG 3.6Å; R233-E239 IonicContact CZ-OE1 2.66Å; R233-E239 IonicContact CZ-OE2 3.72Å; R233-E239 VanDerWaalsContact CZ-OE2 3.32Å; R233-E239 IonicContact NE-OE1 2.78Å; R233-E239 IonicContact NH1-OE1 2.76Å; R233-E239 IonicContact NH1-OE2 2.8Å; R233-E239 PolarHBondContact NH1-OE2 3.31Å; R233-E239 IonicContact NH2-OE1 3.17Å; R233-E239 PolarHBondContact NH2-OE1 3.03Å; R233-E239 IonicContact NH2-OE2 3.75Å; R233-E239 PolarHBondContact NH2-OE2 3.3Å
240	V	98.1	Very high	97.2	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.03	22%	0.221	C	C	.	.			trans	-113.2	147.1	179	-65.1	0	0	0	0	111.1	T153 L238	T153-V240 HydrophobicContact CG2-CG1 4.26Å; L238-V240 HydrophobicContact CD1-CG2 3.89Å; L238-V240 HydrophobicContact CD2-CG2 4.26Å; L238-V240 WeakPolarHBondContact CD2-O 3.45Å; L238-V240 HydrophobicContact CG-CG2 4Å; L238-V240 WeakPolarHBondContact CG-O 3.43Å
241	S	98.5	Very high	97.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-91	-11.9	176.7	59.4	0	0	0	0	113.4	H211 E218 R221 V254	H211-S241 WeakPolarHBondContact CB-OG 3.26Å; H211-S241 PolarHBondContact O-N 2.93Å; H211-S241 PolarHBondContact O-OG 2.97Å; E218-S241 WeakPolarHBondContact OE2-CB 3.39Å; E218-S241 PolarHBondContact OE2-OG 3Å; R221-S241 PolarHBondContact NH2-O 2.82Å; R221-S241 VanDerWaalsContact NH2-O 3.1Å; S241-V254 WeakPolarHBondContact O-CA 3.11Å
242	R	98.7	Very high	97.4	Very high	20 Å²	20	42.4 Å²	42.4	8%	0.075	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-140.5	138.2	179.1	-51.6	-164.6	-166.7	173.5	12.9	110.7	L169 H211 E218 T255 I257 D259	L169-R242 HydrophobicContact CD1-CB 3.56Å; L169-R242 HydrophobicContact CG-CB 4.18Å; H211-R242 HydrophobicContact CB-CB 4.13Å; H211-R242 HydrophobicContact CB-CG 3.91Å; H211-R242 PolarHBondContact NE2-NH1 3.42Å; E218-R242 IonicContact OE1-CZ 3.6Å; E218-R242 IonicContact OE1-NE 3.99Å; E218-R242 PolarHBondContact OE1-NE 2.82Å; E218-R242 IonicContact OE1-NH2 2.66Å; E218-R242 PolarHBondContact OE1-NH2 3.11Å; E218-R242 VanDerWaalsContact OE2-CG 3.29Å; E218-R242 WeakPolarHBondContact OE2-CG 3.38Å; E218-R242 IonicContact OE2-CZ 3.66Å; E218-R242 IonicContact OE2-NE 3.49Å; E218-R242 PolarHBondContact OE2-NE 2.8Å; E218-R242 IonicContact OE2-NH2 3.35Å; R242-T255 CarbonylContact C-O 3.46Å; R242-T255 WeakPolarHBondContact CA-O 3.3Å; R242-T255 HydrophobicContact CB-CG2 4.36Å; R242-T255 WeakPolarHBondContact CB-O 3.21Å; R242-T255 HydrophobicContact CG-CG2 3.69Å; R242-I257 WeakPolarHBondContact CD-O 3.06Å; R242-I257 PolarHBondContact NH1-O 2.96Å; R242-D259 IonicContact CZ-OD1 2.79Å; R242-D259 IonicContact NH1-OD1 3.65Å; R242-D259 PolarHBondContact NH1-OD1 2.98Å; R242-D259 IonicContact NH2-OD1 3.22Å; R242-D259 PolarHBondContact NH2-OD1 2.82Å
243	S	98.8	Very high	97.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.			trans	-169.2	160	-177.4	57.8	0	0	0	0	112.1	S152 D246 K250 V254 T255	S152-S243 CarbonylContact O-C 3.53Å; S152-S243 WeakPolarHBondContact O-CA 3.45Å; S152-S243 WeakPolarHBondContact O-CB 3.48Å; S243-D246 WeakPolarHBondContact CB-OD2 3.38Å; S243-D246 PolarHBondContact OG-OD2 2.91Å; S243-K250 PolarHBondContact O-NZ 3.22Å; S243-V254 WeakPolarHBondContact OG-CG1 3.38Å; S243-T255 PolarHBondContact N-O 3.05Å
244	F	98.9	Very high	97.6	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.013	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	150.9	157.5	-68.7	-58.4	0	0	0	110.2	F86 A98 L102 Y130 T133 D134 G151 S152 A154 L169 C256	F86-F244 HydrophobicContact CE1-CE2 4.31Å; A98-F244 HydrophobicContact CB-CD2 3.79Å; A98-F244 HydrophobicContact CB-CE2 3.97Å; A98-F244 HydrophobicContact CB-CG 4.44Å; L102-F244 HydrophobicContact CD1-CZ 4.47Å; L102-F244 HydrophobicContact CD2-CE2 4.11Å; L102-F244 HydrophobicContact CD2-CZ 4Å; Y130-F244 AromaticContact CD1-CE1 3.84Å; Y130-F244 HydrophobicContact CD1-CE1 3.84Å; Y130-F244 HydrophobicContact CD1-CE2 4.06Å; Y130-F244 AromaticContact CD1-CZ 3.26Å; Y130-F244 HydrophobicContact CD1-CZ 3.26Å; Y130-F244 HydrophobicContact CD2-CZ 4.46Å; Y130-F244 HydrophobicContact CE1-CE2 4.04Å; Y130-F244 AromaticContact CE1-CZ 3.67Å; Y130-F244 HydrophobicContact CE1-CZ 3.67Å; Y130-F244 HydrophobicContact CG-CE1 4.16Å; Y130-F244 AromaticContact CG-CZ 3.71Å; Y130-F244 HydrophobicContact CG-CZ 3.71Å; Y130-F244 WeakPolarHBondContact O-CE1 3.18Å; T133-F244 HydrophobicContact CG2-CE1 4.27Å; T133-F244 HydrophobicContact CG2-CZ 4.49Å; D134-F244 HydrophobicContact CB-CD1 3.85Å; D134-F244 HydrophobicContact CB-CE1 4.3Å; D134-F244 WeakPolarHBondContact OD1-CA 3.47Å; G151-F244 CarbonylContact C-O 3.27Å; G151-F244 WeakPolarHBondContact CA-O 3.24Å; S152-F244 PolarHBondContact N-O 2.88Å; S152-F244 PolarHBondContact O-N 2.73Å; A154-F244 HydrophobicContact CB-CD2 4.21Å; A154-F244 HydrophobicContact CB-CE2 3.66Å; L169-F244 HydrophobicContact CD2-CD1 4.22Å; L169-F244 HydrophobicContact CD2-CD2 3.84Å; L169-F244 HydrophobicContact CD2-CE1 4.24Å; L169-F244 HydrophobicContact CD2-CE2 3.9Å; L169-F244 HydrophobicContact CD2-CG 4.01Å; L169-F244 HydrophobicContact CD2-CZ 4.11Å; F244-C256 HydrophobicContact CD1-CB 4.25Å; F244-C256 HydrophobicContact CE1-CB 4.4Å
245	G	98.6	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.6	-131.3	176.1	0	0	0	0	0	112.1	D134 Y247 K250	D134-G245 PolarHBondContact OD1-N 3.4Å; G245-Y247 PolarHBondContact O-N 2.78Å; G245-Y247 VanDerWaalsContact O-N 3.13Å; G245-K250 WeakPolarHBondContact O-CE 3.28Å
246	D	98.3	Very high	97.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.011	19%	0.192	C	C	.	.			trans	51.5	43.1	178.1	-76	-49.4	0	0	0	113.2	H89 D150 L238 S243 Q248 F249 K250	H89-D246 IonicContact CD2-OD1 2.95Å; H89-D246 IonicContact CE1-OD2 2.74Å; H89-D246 PolarHBondContact CE1-OD2 3.36Å; H89-D246 VanDerWaalsContact CE1-OD2 3.29Å; H89-D246 IonicContact NE2-OD1 3.2Å; H89-D246 PolarHBondContact NE2-OD1 2.99Å; H89-D246 IonicContact NE2-OD2 3.41Å; H89-D246 PolarHBondContact NE2-OD2 2.87Å; D150-D246 PolarHBondContact O-N 3.21Å; L238-D246 HydrophobicContact CD2-CB 4.39Å; S243-D246 WeakPolarHBondContact CB-OD2 3.38Å; S243-D246 PolarHBondContact OG-OD2 2.91Å; D246-Q248 PolarHBondContact O-N 2.74Å; D246-F249 HydrophobicContact CB-CB 4.39Å; D246-F249 HydrophobicContact CB-CD2 3.98Å; D246-F249 WeakPolarHBondContact O-CA 3.46Å; D246-F249 PolarHBondContact O-N 2.8Å; D246-K250 PolarHBondContact O-N 2.94Å
247	Y	96.5	Very high	97.8	Very high	97 Å²	97	37.8 Å²	37.8	38%	0.38	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-47.5	-43	-171.5	166.7	-104.4	0	0	0	113.1	L138 C142 G245 F249 K250	L138-Y247 HydrophobicContact CD2-CD2 4.19Å; L138-Y247 HydrophobicContact CD2-CG 4.47Å; C142-Y247 WeakPolarHBondContact SG-CD2 3.48Å; C142-Y247 WeakPolarHBondContact SG-CE2 3.45Å; G245-Y247 PolarHBondContact O-N 2.78Å; G245-Y247 VanDerWaalsContact O-N 3.13Å; Y247-F249 PolarHBondContact O-N 2.79Å; Y247-K250 PolarHBondContact O-N 3.26Å
248	Q	95.9	Very high	97.9	Very high	66 Å²	66	33.6 Å²	33.6	31%	0.308	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-63.6	-20.7	-179.9	64.5	-85.2	5.6	0	0	114.3	D246	D246-Q248 PolarHBondContact O-N 2.74Å
249	F	97.9	Very high	97.9	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.048	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-102.4	-8.9	-178	-58.9	-77.7	0	0	0	114	V234 V237 L238 D246 Y247 K251 Q252 V254	V234-F249 HydrophobicContact CB-CD1 4.44Å; V234-F249 HydrophobicContact CG1-CD1 4.03Å; V237-F249 HydrophobicContact CB-CE1 4.27Å; V237-F249 HydrophobicContact CB-CZ 3.78Å; V237-F249 HydrophobicContact CG1-CE2 4.4Å; V237-F249 HydrophobicContact CG1-CZ 3.68Å; L238-F249 HydrophobicContact CB-CD1 4.41Å; L238-F249 HydrophobicContact CB-CD2 4.22Å; L238-F249 HydrophobicContact CB-CE1 4.16Å; L238-F249 HydrophobicContact CB-CE2 3.9Å; L238-F249 HydrophobicContact CB-CG 4.49Å; L238-F249 HydrophobicContact CB-CZ 3.91Å; L238-F249 HydrophobicContact CD2-CB 4.29Å; L238-F249 HydrophobicContact CD2-CD2 3.86Å; L238-F249 HydrophobicContact CD2-CE2 4.35Å; L238-F249 HydrophobicContact CD2-CG 4.02Å; D246-F249 HydrophobicContact CB-CB 4.39Å; D246-F249 HydrophobicContact CB-CD2 3.98Å; D246-F249 WeakPolarHBondContact O-CA 3.46Å; D246-F249 PolarHBondContact O-N 2.8Å; Y247-F249 PolarHBondContact O-N 2.79Å; F249-K251 VanDerWaalsContact C-N 3.27Å; F249-K251 PolarHBondContact O-N 3.06Å; F249-Q252 CarbonylContact O-C 3.5Å; F249-Q252 VanDerWaalsContact O-CA 3.31Å; F249-Q252 WeakPolarHBondContact O-CA 3.48Å; F249-Q252 VanDerWaalsContact O-CB 3.3Å; F249-Q252 WeakPolarHBondContact O-CB 3.37Å; F249-Q252 PolarHBondContact O-N 3.49Å; F249-V254 HydrophobicContact CB-CB 3.93Å; F249-V254 HydrophobicContact CB-CG2 3.61Å; F249-V254 HydrophobicContact CG-CG2 4.49Å; F249-V254 PolarHBondContact O-N 3.35Å
250	K	97.4	Very high	98	Very high	45 Å²	45	32.2 Å²	32.2	20%	0.196	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-61.3	-34.1	-178.7	-67.9	-72.4	167.8	172.9	0	113.3	D134 L138 S243 G245 D246 Y247 Q252	D134-K250 VanDerWaalsContact CG-NZ 3.27Å; D134-K250 IonicContact OD1-NZ 3.88Å; D134-K250 PolarHBondContact OD1-NZ 2.8Å; D134-K250 VanDerWaalsContact OD1-NZ 3.1Å; D134-K250 WeakPolarHBondContact OD2-CE 3.1Å; D134-K250 IonicContact OD2-NZ 2.69Å; D134-K250 PolarHBondContact OD2-NZ 2.8Å; L138-K250 HydrophobicContact CD1-CD 4.24Å; L138-K250 HydrophobicContact CD1-CG 4.08Å; L138-K250 HydrophobicContact CD2-CG 4.33Å; S243-K250 PolarHBondContact O-NZ 3.22Å; G245-K250 WeakPolarHBondContact O-CE 3.28Å; D246-K250 PolarHBondContact O-N 2.94Å; Y247-K250 PolarHBondContact O-N 3.26Å; K250-Q252 PolarHBondContact O-N 3.17Å
251	K	96.6	Very high	98	Very high	179 Å²	179	35 Å²	35	78%	0.778	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-77.5	-4.8	173.1	-65	-174.8	-179.5	179.6	0	113.5	F249	F249-K251 VanDerWaalsContact C-N 3.27Å; F249-K251 PolarHBondContact O-N 3.06Å
252	Q	97.2	Very high	98	Very high	56 Å²	56	36.8 Å²	36.8	26%	0.262	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-109.7	20.4	-174.2	-60.7	178.1	-18.9	0	0	112	T225 A227 N235 F249 K250	T225-Q252 VanDerWaalsContact OG1-CA 3.27Å; T225-Q252 WeakPolarHBondContact OG1-CA 3.23Å; A227-Q252 HydrophobicContact CB-CB 3.8Å; A227-Q252 HydrophobicContact CB-CG 4.27Å; N235-Q252 PolarHBondContact ND2-NE2 3.19Å; N235-Q252 PolarHBondContact ND2-OE1 2.81Å; F249-Q252 CarbonylContact O-C 3.5Å; F249-Q252 VanDerWaalsContact O-CA 3.31Å; F249-Q252 WeakPolarHBondContact O-CA 3.48Å; F249-Q252 VanDerWaalsContact O-CB 3.3Å; F249-Q252 WeakPolarHBondContact O-CB 3.37Å; F249-Q252 PolarHBondContact O-N 3.49Å; K250-Q252 PolarHBondContact O-N 3.17Å
253	G	97.1	Very high	97.9	Very high	12 Å²	12	36.3 Å²	36.3	12%	0.124	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-1.8	175.8	0	0	0	0	0	115.6	R221 T255	R221-G253 PolarHBondContact NE-O 3.12Å; G253-T255 PolarHBondContact O-N 2.97Å
254	V	98.4	Very high	97.9	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	19%	0.193	C	C	.	.			trans	-71.2	125.5	171.2	178.5	0	0	0	0	109.3	V234 L238 S241 S243 F249	V234-V254 HydrophobicContact CG1-CG2 4.49Å; V234-V254 HydrophobicContact CG2-CG2 4.24Å; L238-V254 HydrophobicContact CD2-CG1 4.16Å; L238-V254 HydrophobicContact CD2-CG2 3.83Å; S241-V254 WeakPolarHBondContact O-CA 3.11Å; S243-V254 WeakPolarHBondContact OG-CG1 3.38Å; F249-V254 HydrophobicContact CB-CB 3.93Å; F249-V254 HydrophobicContact CB-CG2 3.61Å; F249-V254 HydrophobicContact CG-CG2 4.49Å; F249-V254 PolarHBondContact O-N 3.35Å
255	T	98.4	Very high	97.8	Very high	34 Å²	34	40.7 Å²	40.7	21%	0.209	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-120.7	156.4	-173.3	-175.8	0	0	0	0	111.8	R242 S243 G253 I257	R242-T255 CarbonylContact C-O 3.46Å; R242-T255 WeakPolarHBondContact CA-O 3.3Å; R242-T255 HydrophobicContact CB-CG2 4.36Å; R242-T255 WeakPolarHBondContact CB-O 3.21Å; R242-T255 HydrophobicContact CG-CG2 3.69Å; S243-T255 PolarHBondContact N-O 3.05Å; G253-T255 PolarHBondContact O-N 2.97Å; T255-I257 WeakPolarHBondContact OG1-CG1 3.24Å; T255-I257 PolarHBondContact OG1-N 2.8Å
256	C	98.6	Very high	97.6	Very high	11 Å²	11	42.2 Å²	42.2	7%	0.074	20%	0.204	C	C	.	.			trans	-99.4	6.9	172.3	57.7	0	0	0	0	113.1	D134 L169 F244 P258	D134-C256 HydrophobicContact CB-CB 3.68Å; D134-C256 VanDerWaalsContact CB-SG 3.6Å; D134-C256 WeakPolarHBondContact OD2-CB 3.35Å; D134-C256 PolarHBondContact OD2-SG 2.87Å; L169-C256 VanDerWaalsContact CD1-C 3.45Å; L169-C256 WeakPolarHBondContact CD1-O 3.43Å; F244-C256 HydrophobicContact CD1-CB 4.25Å; F244-C256 HydrophobicContact CE1-CB 4.4Å; C256-P258 WeakPolarHBondContact O-CD 3.13Å
257	I	98.4	Very high	97.3	Very high	52 Å²	52	46.8 Å²	46.8	27%	0.267	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-77.4	118.6	179.5	-58.3	-57.9	0	0	0	109.8	Y127 R242 T255	Y127-I257 HydrophobicContact CD1-CG2 4.19Å; Y127-I257 HydrophobicContact CD2-CG2 4.37Å; Y127-I257 HydrophobicContact CE1-CG2 3.98Å; Y127-I257 HydrophobicContact CE2-CG2 4.18Å; Y127-I257 HydrophobicContact CG-CG2 4.36Å; R242-I257 WeakPolarHBondContact CD-O 3.06Å; R242-I257 PolarHBondContact NH1-O 2.96Å; T255-I257 WeakPolarHBondContact OG1-CG1 3.24Å; T255-I257 PolarHBondContact OG1-N 2.8Å
258	P	98.6	Very high	97.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-78.6	159.8	-178.7	32.9	-35.1	0	0	0	112	Y127 Y130 A167 N168 L169 C256 V260	Y127-P258 HydrophobicContact CD1-CG 3.89Å; Y127-P258 HydrophobicContact CE1-CG 4.07Å; Y127-P258 WeakPolarHBondContact CE1-O 3.48Å; Y127-P258 PolarHBondContact OH-O 3.28Å; Y130-P258 HydrophobicContact CD1-CB 3.87Å; Y130-P258 HydrophobicContact CD1-CG 3.69Å; Y130-P258 HydrophobicContact CD2-CG 4Å; Y130-P258 HydrophobicContact CE1-CB 3.68Å; Y130-P258 HydrophobicContact CE1-CG 3.9Å; Y130-P258 HydrophobicContact CE2-CG 4.16Å; Y130-P258 HydrophobicContact CG-CB 4.43Å; Y130-P258 HydrophobicContact CG-CG 3.75Å; A167-P258 HydrophobicContact CB-CB 4.03Å; A167-P258 HydrophobicContact CB-CG 4.19Å; N168-P258 CarbonylContact O-C 3.56Å; N168-P258 WeakPolarHBondContact O-CA 3.47Å; N168-P258 WeakPolarHBondContact O-CB 3.35Å; L169-P258 HydrophobicContact CB-CB 4.5Å; C256-P258 WeakPolarHBondContact O-CD 3.13Å; P258-V260 HydrophobicContact CG-CG2 4.25Å
259	D	98.4	Very high	97.1	Very high	50 Å²	50	39.7 Å²	39.7	27%	0.267	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.1	158.3	-82.7	6.7	0	0	0	108.5	A167 N168 H211 R242	A167-D259 CarbonylContact C-O 3.49Å; A167-D259 VanDerWaalsContact CA-O 3.28Å; A167-D259 WeakPolarHBondContact CA-O 3.24Å; N168-D259 PolarHBondContact N-O 3.02Å; N168-D259 PolarHBondContact O-N 3.09Å; H211-D259 IonicContact NE2-OD1 3.02Å; H211-D259 IonicContact NE2-OD2 3.26Å; H211-D259 PolarHBondContact NE2-OD2 3.33Å; R242-D259 IonicContact CZ-OD1 2.79Å; R242-D259 IonicContact NH1-OD1 3.65Å; R242-D259 PolarHBondContact NH1-OD1 2.98Å; R242-D259 IonicContact NH2-OD1 3.22Å; R242-D259 PolarHBondContact NH2-OD1 2.82Å
260	V	98.5	Very high	96.9	Very high	28 Å²	28	39.1 Å²	39.1	17%	0.17	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125	-175.9	176.8	0	0	0	0	110.3	K123 L126 Y127 I166 A167 P258	K123-V260 HydrophobicContact CB-CG1 4.45Å; K123-V260 HydrophobicContact CG-CB 4.24Å; K123-V260 HydrophobicContact CG-CG1 4.42Å; K123-V260 HydrophobicContact CG-CG2 4.41Å; L126-V260 HydrophobicContact CB-CG2 4.21Å; L126-V260 HydrophobicContact CD1-CG1 3.78Å; L126-V260 HydrophobicContact CD1-CG2 4.01Å; Y127-V260 HydrophobicContact CD1-CG2 4.16Å; Y127-V260 HydrophobicContact CE1-CG2 3.66Å; I166-V260 CarbonylContact O-C 3.57Å; I166-V260 VanDerWaalsContact O-CA 3.23Å; I166-V260 WeakPolarHBondContact O-CA 3.27Å; A167-V260 HydrophobicContact CB-CG2 4.14Å; P258-V260 HydrophobicContact CG-CG2 4.25Å
261	K	98.1	Very high	96.9	Very high	63 Å²	63	37 Å²	37	27%	0.274	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.4	178.7	-171.5	174.3	-177.2	172.6	0	110.6	Y165 I166 C206 L207	Y165-K261 CarbonylContact C-O 3.37Å; Y165-K261 WeakPolarHBondContact CA-O 3.39Å; I166-K261 HydrophobicContact CB-CB 4.5Å; I166-K261 WeakPolarHBondContact CD1-O 3.15Å; I166-K261 PolarHBondContact N-O 2.76Å; I166-K261 PolarHBondContact O-N 3.14Å; C206-K261 PolarHBondContact O-NZ 2.94Å; L207-K261 HydrophobicContact CD2-CD 4.49Å; L207-K261 WeakPolarHBondContact O-CD 3.43Å
262	K	98	Very high	97	Very high	38 Å²	38	28.5 Å²	28.5	17%	0.165	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.5	170.1	-176.8	-170.1	-179.8	-170.8	0	108.8	F4 E119 T163 L164 Y165	F4-K262 HydrophobicContact CD1-CB 3.75Å; F4-K262 HydrophobicContact CD1-CD 4.33Å; F4-K262 HydrophobicContact CD2-CD 4.25Å; F4-K262 HydrophobicContact CE1-CB 3.2Å; F4-K262 HydrophobicContact CE1-CD 3.95Å; F4-K262 HydrophobicContact CE1-CG 4.22Å; F4-K262 HydrophobicContact CE2-CD 3.83Å; F4-K262 HydrophobicContact CG-CD 4.47Å; F4-K262 HydrophobicContact CZ-CB 3.69Å; F4-K262 HydrophobicContact CZ-CD 3.66Å; F4-K262 HydrophobicContact CZ-CG 4.3Å; E119-K262 IonicContact OE1-NZ 3.4Å; E119-K262 PolarHBondContact OE1-NZ 2.76Å; E119-K262 IonicContact OE2-NZ 2.93Å; E119-K262 PolarHBondContact OE2-NZ 2.88Å; T163-K262 HydrophobicContact CG2-CD 4.24Å; T163-K262 HydrophobicContact CG2-CG 3.7Å; L164-K262 CarbonylContact O-C 3.58Å; L164-K262 WeakPolarHBondContact O-CA 3.19Å; Y165-K262 HydrophobicContact CD1-CB 4.31Å; Y165-K262 HydrophobicContact CD1-CG 4.29Å; Y165-K262 HydrophobicContact CE1-CB 4.32Å; Y165-K262 HydrophobicContact CE1-CD 4.28Å; Y165-K262 HydrophobicContact CE1-CG 3.91Å
263	C	98.1	Very high	97.1	Very high	11 Å²	11	25.8 Å²	25.8	7%	0.074	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	123.9	169.2	-178.7	0	0	0	0	109.2	L164 I166 L207	L164-C263 HydrophobicContact CB-CB 4.23Å; L164-C263 WeakPolarHBondContact CB-O 3.5Å; L164-C263 HydrophobicContact CD1-CB 4.23Å; L164-C263 PolarHBondContact N-O 3.16Å; L164-C263 PolarHBondContact O-N 3.19Å; I166-C263 HydrophobicContact CD1-CB 4.06Å; L207-C263 HydrophobicContact CD1-CB 4.24Å; L207-C263 HydrophobicContact CD2-CB 4.07Å
264	Q	97.7	Very high	97.2	Very high	88 Å²	88	25.2 Å²	25.2	41%	0.411	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.4	173.6	-178.2	50.5	51.6	0	0	108.9	N162 T163 R178	N162-Q264 PolarHBondContact O-NE2 2.94Å; T163-Q264 PolarHBondContact OG1-OE1 3.38Å; R178-Q264 PolarHBondContact NH2-O 3.05Å
265	L	97.3	Very high	97.2	Very high	7 Å²	7	25 Å²	25	4%	0.037	13%	0.13	C	C	.	.			trans	-67.1	142.2	172.8	-68.3	175.1	0	0	0	110.5	I39 L159 N162 L164 D269 F354	I39-L265 HydrophobicContact CD1-CB 3.64Å; I39-L265 HydrophobicContact CD1-CD1 4.4Å; L159-L265 HydrophobicContact CD1-CD1 4.05Å; N162-L265 HydrophobicContact CB-CB 4.43Å; N162-L265 VanDerWaalsContact O-CB 3.31Å; N162-L265 WeakPolarHBondContact O-CB 3.38Å; N162-L265 WeakPolarHBondContact O-CG 3.4Å; N162-L265 PolarHBondContact O-N 2.93Å; L164-L265 HydrophobicContact CD1-CD2 3.75Å; L164-L265 HydrophobicContact CD1-CG 4.23Å; L164-L265 HydrophobicContact CG-CD2 4.23Å; L164-L265 HydrophobicContact CG-CG 4.17Å; L265-D269 WeakPolarHBondContact CA-OD2 3.34Å; L265-D269 HydrophobicContact CD2-CB 4.13Å; L265-D269 WeakPolarHBondContact CD2-OD2 2.92Å; L265-F354 HydrophobicContact CD1-CE1 3.67Å; L265-F354 HydrophobicContact CD1-CE2 4.49Å; L265-F354 HydrophobicContact CD1-CZ 3.63Å; L265-F354 HydrophobicContact CD2-CE1 4.37Å; L265-F354 HydrophobicContact CD2-CE2 3.71Å; L265-F354 HydrophobicContact CD2-CZ 3.51Å; L265-F354 HydrophobicContact CG-CZ 4.24Å
266	T	93.7	Very high	97.2	Very high	32 Å²	32	23.4 Å²	23.4	20%	0.196	12%	0.12	C	C	.	.			trans	-128.8	170.8	177.3	73.7	0	0	0	0	110.8	N268 D269	T266-N268 PolarHBondContact O-N 3.08Å; T266-N268 VanDerWaalsContact O-N 3.09Å; T266-N268 PolarHBondContact OG1-N 2.95Å; T266-D269 PolarHBondContact N-OD2 3.25Å; T266-D269 WeakPolarHBondContact O-CB 3.19Å; T266-D269 PolarHBondContact O-N 3.26Å
267	D	91.5	Very high	97.1	Very high	98 Å²	98	23.7 Å²	23.7	52%	0.524	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.1	177.3	-67.3	-11	0	0	0	113.6	M357	D267-M357 VanDerWaalsContact CA-SD 3.52Å; D267-M357 HydrophobicContact CB-SD 3.74Å
268	N	92.9	Very high	97	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.064	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-13	174.7	-66.6	-44.3	0	0	0	112.4	R178 L179 E181 T266 Q270 R361	R178-N268 WeakPolarHBondContact CA-O 3.47Å; R178-N268 HydrophobicContact CG-CB 3.77Å; L179-N268 HydrophobicContact CB-CB 4.29Å; L179-N268 PolarHBondContact N-O 3.15Å; E181-N268 WeakPolarHBondContact CG-ND2 3.22Å; E181-N268 PolarHBondContact OE1-ND2 3.41Å; T266-N268 PolarHBondContact O-N 3.08Å; T266-N268 VanDerWaalsContact O-N 3.09Å; T266-N268 PolarHBondContact OG1-N 2.95Å; N268-Q270 PolarHBondContact O-NE2 3.22Å; N268-R361 PolarHBondContact OD1-NH1 3.49Å; N268-R361 PolarHBondContact OD1-NH2 2.84Å
269	D	95.4	Very high	96.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127	-178.2	-68.6	-36.6	0	0	0	111.8	L176 R178 L265 T266 F354 M357	L176-D269 HydrophobicContact CD1-CB 4.06Å; L176-D269 WeakPolarHBondContact CD2-OD1 3.48Å; R178-D269 IonicContact CZ-OD1 3.09Å; R178-D269 VanDerWaalsContact CZ-OD1 3.26Å; R178-D269 IonicContact CZ-OD2 2.81Å; R178-D269 IonicContact NE-OD1 2.71Å; R178-D269 PolarHBondContact NE-OD1 2.88Å; R178-D269 IonicContact NE-OD2 2.6Å; R178-D269 VanDerWaalsContact NH2-CG 3.26Å; R178-D269 IonicContact NH2-OD1 2.59Å; R178-D269 PolarHBondContact NH2-OD1 2.81Å; R178-D269 IonicContact NH2-OD2 2.61Å; R178-D269 PolarHBondContact NH2-OD2 3.24Å; L265-D269 WeakPolarHBondContact CA-OD2 3.34Å; L265-D269 HydrophobicContact CD2-CB 4.13Å; L265-D269 WeakPolarHBondContact CD2-OD2 2.92Å; T266-D269 PolarHBondContact N-OD2 3.25Å; T266-D269 WeakPolarHBondContact O-CB 3.19Å; T266-D269 PolarHBondContact O-N 3.26Å; D269-F354 HydrophobicContact CB-CD2 3.93Å; D269-F354 HydrophobicContact CB-CE2 4Å; D269-M357 VanDerWaalsContact O-CB 3.25Å; D269-M357 WeakPolarHBondContact O-CB 3.43Å
270	Q	95.2	Very high	96.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-52.5	-173.1	-58.2	-54.8	-72.2	0	0	110.7	A177 L179 L202 N268 F354 F358	A177-Q270 HydrophobicContact CB-CB 4.42Å; A177-Q270 PolarHBondContact O-N 3.25Å; L179-Q270 HydrophobicContact CD1-CG 4.3Å; L179-Q270 HydrophobicContact CD2-CG 4.33Å; L179-Q270 HydrophobicContact CG-CG 3.83Å; L202-Q270 HydrophobicContact CD1-CB 4.13Å; L202-Q270 HydrophobicContact CD1-CG 3.51Å; N268-Q270 PolarHBondContact O-NE2 3.22Å; Q270-F354 PolarHBondContact O-N 2.66Å; Q270-F358 HydrophobicContact CB-CD2 3.97Å; Q270-F358 VanDerWaalsContact OE1-CA 3.29Å
271	F	97.6	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	165.4	179.4	57	-94.7	0	0	0	112	A177 L202 L273 V289 T292 H293 L296 L351 L352 V353 F358	A177-F271 HydrophobicContact CB-CD1 3.92Å; A177-F271 HydrophobicContact CB-CD2 3.69Å; A177-F271 HydrophobicContact CB-CE1 3.64Å; A177-F271 HydrophobicContact CB-CE2 3.4Å; A177-F271 VanDerWaalsContact CB-CE2 3.4Å; A177-F271 HydrophobicContact CB-CG 3.93Å; A177-F271 HydrophobicContact CB-CZ 3.37Å; A177-F271 PolarHBondContact N-O 3.01Å; L202-F271 HydrophobicContact CD2-CE1 3.79Å; L202-F271 HydrophobicContact CD2-CZ 3.91Å; F271-L273 HydrophobicContact CD2-CG 4.37Å; F271-L273 HydrophobicContact CE2-CD1 4.43Å; F271-L273 HydrophobicContact CE2-CG 4.39Å; F271-V289 HydrophobicContact CE2-CB 4.46Å; F271-V289 HydrophobicContact CE2-CG1 4.41Å; F271-V289 HydrophobicContact CE2-CG2 4.16Å; F271-V289 HydrophobicContact CZ-CB 4.38Å; F271-V289 HydrophobicContact CZ-CG1 3.96Å; F271-V289 WeakPolarHBondContact CZ-O 3.14Å; F271-T292 HydrophobicContact CD1-CG2 4.44Å; F271-T292 HydrophobicContact CD2-CG2 3.81Å; F271-T292 HydrophobicContact CE1-CG2 4.17Å; F271-T292 HydrophobicContact CE2-CG2 3.49Å; F271-T292 VanDerWaalsContact CE2-CG2 3.49Å; F271-T292 HydrophobicContact CG-CG2 4.28Å; F271-T292 HydrophobicContact CZ-CG2 3.7Å; F271-H293 HydrophobicContact CE1-CB 4.21Å; F271-H293 HydrophobicContact CZ-CB 4.39Å; F271-L296 HydrophobicContact CD1-CD1 3.86Å; F271-L296 HydrophobicContact CE1-CD1 4.19Å; F271-L296 HydrophobicContact CG-CD1 4.45Å; F271-L351 HydrophobicContact CB-CD1 4.11Å; F271-L351 HydrophobicContact CD2-CD1 4.11Å; F271-L351 HydrophobicContact CG-CD1 4.34Å; F271-L352 CarbonylContact C-O 3.59Å; F271-L352 WeakPolarHBondContact CA-O 3.49Å; F271-L352 WeakPolarHBondContact CB-O 3.45Å; F271-V353 HydrophobicContact CB-CB 4.38Å; F271-V353 HydrophobicContact CB-CG2 4.02Å; F271-F358 HydrophobicContact CD1-CD2 4.31Å; F271-F358 HydrophobicContact CD1-CE2 4.13Å; F271-F358 HydrophobicContact CE1-CE2 4.26Å
272	L	98.2	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.5	173	-72.9	153.9	0	0	0	109.9	I157 L164 V174 V175 L176 L207 L352 F354	I157-L272 HydrophobicContact CD1-CD1 4.36Å; L164-L272 HydrophobicContact CD1-CD1 3.88Å; L164-L272 HydrophobicContact CD1-CD2 4.17Å; L164-L272 HydrophobicContact CD2-CD1 4.07Å; V174-L272 HydrophobicContact CG1-CD2 4.06Å; V175-L272 CarbonylContact O-C 3.52Å; V175-L272 WeakPolarHBondContact O-CA 3.43Å; L176-L272 HydrophobicContact CB-CD2 3.62Å; L176-L272 HydrophobicContact CD1-CD2 3.61Å; L176-L272 HydrophobicContact CD1-CG 3.77Å; L176-L272 HydrophobicContact CG-CD2 4.18Å; L207-L272 HydrophobicContact CD1-CD2 3.85Å; L272-L352 HydrophobicContact CB-CB 4.23Å; L272-L352 HydrophobicContact CB-CD1 4.22Å; L272-L352 PolarHBondContact N-O 2.85Å; L272-L352 PolarHBondContact O-N 3.42Å; L272-F354 HydrophobicContact CD1-CE2 4.17Å; L272-F354 HydrophobicContact CD1-CZ 3.71Å; L272-F354 HydrophobicContact CG-CE2 4.34Å; L272-F354 HydrophobicContact CG-CZ 4.37Å
273	L	98.7	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.5	167.2	-65	172	0	0	0	108.8	V174 V175 F271 W280 A288 L334 I350 L351	V174-L273 CarbonylContact C-O 3.5Å; V174-L273 VanDerWaalsContact CA-O 3.3Å; V174-L273 WeakPolarHBondContact CA-O 3.5Å; V175-L273 PolarHBondContact N-O 3.29Å; V175-L273 PolarHBondContact O-N 3.32Å; F271-L273 HydrophobicContact CD2-CG 4.37Å; F271-L273 HydrophobicContact CE2-CD1 4.43Å; F271-L273 HydrophobicContact CE2-CG 4.39Å; L273-W280 HydrophobicContact CB-CH2 3.86Å; L273-W280 HydrophobicContact CB-CZ2 4.28Å; L273-W280 HydrophobicContact CD1-CH2 4.14Å; L273-A288 HydrophobicContact CD1-CB 4.02Å; L273-L334 HydrophobicContact CD2-CD1 3.88Å; L273-I350 WeakPolarHBondContact CA-O 3.19Å; L273-L351 HydrophobicContact CD2-CB 4.29Å; L273-L351 HydrophobicContact CD2-CD1 3.73Å
274	I	98.8	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.1	163.2	-44.2	175.1	0	0	0	105.5	F83 I85 A155 I157 K173 V174 C349 I350 L352	F83-I274 HydrophobicContact CB-CD1 3.51Å; F83-I274 HydrophobicContact CG-CD1 4.49Å; I85-I274 HydrophobicContact CB-CG2 4.23Å; I85-I274 HydrophobicContact CD1-CB 4.23Å; I85-I274 HydrophobicContact CD1-CG2 4Å; I85-I274 WeakPolarHBondContact CD1-O 3.5Å; I85-I274 HydrophobicContact CG1-CG2 4.07Å; A155-I274 HydrophobicContact CB-CG2 3.97Å; I157-I274 HydrophobicContact CB-CD1 4.44Å; I157-I274 HydrophobicContact CD1-CD1 3.53Å; I157-I274 HydrophobicContact CD1-CG1 3.81Å; I157-I274 HydrophobicContact CG1-CD1 3.81Å; I157-I274 HydrophobicContact CG1-CG1 4.39Å; K173-I274 WeakPolarHBondContact O-CA 3.47Å; V174-I274 HydrophobicContact CG1-CG1 4.45Å; V174-I274 HydrophobicContact CG2-CG1 4.17Å; V174-I274 HydrophobicContact CG2-CG2 4.07Å; I274-C349 CarbonylContact O-C 3.55Å; I274-C349 VanDerWaalsContact O-CA 3.32Å; I274-C349 WeakPolarHBondContact O-CA 3.28Å; I274-I350 HydrophobicContact CB-CB 4.1Å; I274-I350 HydrophobicContact CD1-CB 4.36Å; I274-I350 HydrophobicContact CD1-CD1 4.26Å; I274-I350 HydrophobicContact CD1-CG2 4.44Å; I274-I350 HydrophobicContact CG1-CB 4.39Å; I274-I350 PolarHBondContact N-O 3.26Å; I274-I350 PolarHBondContact O-N 2.82Å; I274-L352 HydrophobicContact CD1-CD1 4.19Å; I274-L352 HydrophobicContact CG1-CD1 4.37Å
275	A	98.6	Very high	95.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.2	177.2	0	0	0	0	0	112.8	S172 K173 L279 W280 T348 C349	S172-A275 WeakPolarHBondContact CA-O 3.36Å; S172-A275 WeakPolarHBondContact CB-O 3.4Å; K173-A275 PolarHBondContact N-O 3.06Å; K173-A275 PolarHBondContact O-N 3.17Å; A275-L279 HydrophobicContact CB-CB 3.72Å; A275-L279 HydrophobicContact CB-CD2 3.33Å; A275-L279 HydrophobicContact CB-CG 4.13Å; A275-W280 VanDerWaalsContact C-NE1 3.33Å; A275-W280 HydrophobicContact CB-CZ2 3.74Å; A275-W280 PolarHBondContact O-NE1 2.86Å; A275-T348 VanDerWaalsContact CA-O 3.22Å; A275-T348 WeakPolarHBondContact CA-O 3.49Å; A275-T348 VanDerWaalsContact CB-O 3.31Å; A275-T348 WeakPolarHBondContact CB-O 3.42Å; A275-C349 HydrophobicContact CB-CB 4.19Å
276	C	98.1	Very high	95.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.			trans	-76.6	173.5	170	68	0	0	0	0	111.7	D57 I85 D87 S172 G278 L279 W280 N346 T348	D57-C276 PolarHBondContact OD2-SG 2.94Å; I85-C276 HydrophobicContact CG2-CB 4.1Å; D87-C276 HydrophobicContact CB-CB 3.99Å; D87-C276 WeakPolarHBondContact OD2-CB 3.28Å; S172-C276 WeakPolarHBondContact OG-CA 3.34Å; C276-G278 PolarHBondContact O-N 2.96Å; C276-L279 PolarHBondContact O-N 2.7Å; C276-W280 PolarHBondContact O-N 3.04Å; C276-N346 PolarHBondContact SG-O 2.64Å; C276-N346 VanDerWaalsContact SG-O 3.4Å; C276-T348 PolarHBondContact N-O 3.19Å; C276-T348 VanDerWaalsContact N-O 3.14Å; C276-T348 PolarHBondContact SG-N 3.19Å
277	D	96.3	Very high	95.2	Very high	18 Å²	18	28 Å²	28	10%	0.096	15%	0.147	C	C	.	.	H	α-helix	trans	-64.9	-24.1	-175.8	82.2	12.4	0	0	0	112.7	L279 W280 K281	D277-L279 PolarHBondContact O-N 2.93Å; D277-W280 PolarHBondContact O-N 2.94Å; D277-K281 HydrophobicContact CB-CD 4.42Å; D277-K281 WeakPolarHBondContact O-CB 3.47Å; D277-K281 VanDerWaalsContact O-CG 3.29Å; D277-K281 WeakPolarHBondContact O-CG 3.44Å; D277-K281 PolarHBondContact O-N 3.24Å; D277-K281 IonicContact OD1-NZ 3.52Å; D277-K281 PolarHBondContact OD1-NZ 3.28Å; D277-K281 VanDerWaalsContact OD1-NZ 3.09Å; D277-K281 WeakPolarHBondContact OD2-CE 3.2Å; D277-K281 IonicContact OD2-NZ 3.83Å; D277-K281 PolarHBondContact OD2-NZ 2.86Å
278	G	96.3	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-26.4	176.9	0	0	0	0	0	113.4	C276 S343	C276-G278 PolarHBondContact O-N 2.96Å; G278-S343 WeakPolarHBondContact O-CB 3.47Å; G278-S343 PolarHBondContact O-OG 3.16Å
279	L	97.1	Very high	95.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-81.9	-51.1	168.3	-169.9	84.1	0	0	0	110.8	A275 C276 D277 K281 S282 F283 L334 A338 V347 C349	A275-L279 HydrophobicContact CB-CB 3.72Å; A275-L279 HydrophobicContact CB-CD2 3.33Å; A275-L279 HydrophobicContact CB-CG 4.13Å; C276-L279 PolarHBondContact O-N 2.7Å; D277-L279 PolarHBondContact O-N 2.93Å; L279-K281 VanDerWaalsContact C-N 3.27Å; L279-K281 PolarHBondContact O-N 2.88Å; L279-S282 WeakPolarHBondContact O-CB 3.29Å; L279-S282 PolarHBondContact O-N 2.8Å; L279-F283 HydrophobicContact CD1-CD2 4.05Å; L279-F283 HydrophobicContact CD1-CE2 3.84Å; L279-F283 HydrophobicContact CG-CD2 4.07Å; L279-F283 HydrophobicContact CG-CE2 4.36Å; L279-F283 WeakPolarHBondContact O-CD2 3.43Å; L279-F283 PolarHBondContact O-N 3.3Å; L279-F283 VanDerWaalsContact O-N 3.09Å; L279-L334 HydrophobicContact CD1-CB 4.46Å; L279-A338 HydrophobicContact CD1-CB 4.03Å; L279-V347 HydrophobicContact CB-CG1 4.07Å; L279-V347 HydrophobicContact CD1-CG1 4.11Å; L279-C349 HydrophobicContact CD2-CB 4.5Å
280	W	96.4	Very high	95.5	Very high	20 Å²	20	28 Å²	28	8%	0.076	14%	0.144	C	C	.	.	H	α-helix	trans	-70	-20.7	-170.2	-57.7	120.9	0	0	0	114.5	K173 V175 L273 A275 C276 D277 S282 F283 P285 A288	K173-W280 HydrophobicContact CB-CD2 4.33Å; K173-W280 HydrophobicContact CB-CG 4.44Å; K173-W280 HydrophobicContact CB-CZ2 4.11Å; K173-W280 HydrophobicContact CD-CB 4.25Å; K173-W280 HydrophobicContact CD-CD2 3.95Å; K173-W280 HydrophobicContact CD-CG 3.74Å; K173-W280 HydrophobicContact CG-CD2 4.47Å; K173-W280 HydrophobicContact CG-CG 4.16Å; V175-W280 HydrophobicContact CB-CH2 3.88Å; V175-W280 HydrophobicContact CB-CZ2 4.49Å; V175-W280 HydrophobicContact CG2-CH2 3.43Å; V175-W280 VanDerWaalsContact CG2-CH2 3.43Å; V175-W280 HydrophobicContact CG2-CZ2 3.85Å; V175-W280 HydrophobicContact CG2-CZ3 3.88Å; L273-W280 HydrophobicContact CB-CH2 3.86Å; L273-W280 HydrophobicContact CB-CZ2 4.28Å; L273-W280 HydrophobicContact CD1-CH2 4.14Å; A275-W280 VanDerWaalsContact C-NE1 3.33Å; A275-W280 HydrophobicContact CB-CZ2 3.74Å; A275-W280 PolarHBondContact O-NE1 2.86Å; C276-W280 PolarHBondContact O-N 3.04Å; D277-W280 PolarHBondContact O-N 2.94Å; W280-S282 VanDerWaalsContact C-N 3.32Å; W280-F283 CarbonylContact C-O 3.54Å; W280-F283 WeakPolarHBondContact CA-O 3.34Å; W280-F283 CarbonylContact O-C 3.59Å; W280-F283 VanDerWaalsContact O-O 3.05Å; W280-P285 HydrophobicContact CE3-CG 4.47Å; W280-A288 HydrophobicContact CZ3-CB 3.79Å
281	K	92.5	Very high	95.6	Very high	133 Å²	133	29.9 Å²	29.9	58%	0.578	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.2	169.7	-73.8	167.2	174.3	161.5	0	112.1	D277 L279 D345	D277-K281 HydrophobicContact CB-CD 4.42Å; D277-K281 WeakPolarHBondContact O-CB 3.47Å; D277-K281 VanDerWaalsContact O-CG 3.29Å; D277-K281 WeakPolarHBondContact O-CG 3.44Å; D277-K281 PolarHBondContact O-N 3.24Å; D277-K281 IonicContact OD1-NZ 3.52Å; D277-K281 PolarHBondContact OD1-NZ 3.28Å; D277-K281 VanDerWaalsContact OD1-NZ 3.09Å; D277-K281 WeakPolarHBondContact OD2-CE 3.2Å; D277-K281 IonicContact OD2-NZ 3.83Å; D277-K281 PolarHBondContact OD2-NZ 2.86Å; L279-K281 VanDerWaalsContact C-N 3.27Å; L279-K281 PolarHBondContact O-N 2.88Å; K281-D345 IonicContact NZ-OD2 3.51Å
282	S	90.2	Very high	95.5	Very high	19 Å²	19	29.9 Å²	29.9	13%	0.133	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-28.2	177.9	-62.4	0	0	0	0	113.7	L279 W280 A338 R341 S343	L279-S282 WeakPolarHBondContact O-CB 3.29Å; L279-S282 PolarHBondContact O-N 2.8Å; W280-S282 VanDerWaalsContact C-N 3.32Å; S282-A338 PolarHBondContact OG-O 2.78Å; S282-A338 VanDerWaalsContact OG-O 3.05Å; S282-R341 PolarHBondContact O-NH1 3.16Å; S282-S343 WeakPolarHBondContact OG-CB 3.31Å
283	F	84.6	Confident	95.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-136.9	125.9	178.2	-42.1	-91.6	0	0	0	111.3	L279 W280 E287 A288 L291 E337 A338 R341	L279-F283 HydrophobicContact CD1-CD2 4.05Å; L279-F283 HydrophobicContact CD1-CE2 3.84Å; L279-F283 HydrophobicContact CG-CD2 4.07Å; L279-F283 HydrophobicContact CG-CE2 4.36Å; L279-F283 WeakPolarHBondContact O-CD2 3.43Å; L279-F283 PolarHBondContact O-N 3.3Å; L279-F283 VanDerWaalsContact O-N 3.09Å; W280-F283 CarbonylContact C-O 3.54Å; W280-F283 WeakPolarHBondContact CA-O 3.34Å; W280-F283 CarbonylContact O-C 3.59Å; W280-F283 VanDerWaalsContact O-O 3.05Å; F283-E287 HydrophobicContact CD1-CG 4.46Å; F283-A288 HydrophobicContact CB-CB 3.97Å; F283-L291 HydrophobicContact CD1-CD2 4.48Å; F283-L291 HydrophobicContact CE1-CD2 3.85Å; F283-L291 HydrophobicContact CZ-CD2 4.33Å; F283-E337 HydrophobicContact CE1-CB 4.25Å; F283-E337 HydrophobicContact CE1-CG 3.46Å; F283-E337 VanDerWaalsContact CE1-CG 3.46Å; F283-E337 HydrophobicContact CZ-CB 3.65Å; F283-E337 HydrophobicContact CZ-CG 3.34Å; F283-A338 HydrophobicContact CE2-CB 3.7Å; F283-A338 HydrophobicContact CZ-CB 4.4Å; F283-R341 VanDerWaalsContact CD1-NH1 3.34Å
284	P	93.2	Very high	95.1	Very high	75 Å²	75	33.8 Å²	33.8	49%	0.487	17%	0.172	S	C	.	.			trans	-63.2	153.1	162.4	28.6	-33.1	0	0	0	110.3	N286 E287 A288	P284-N286 VanDerWaalsContact C-N 3.31Å; P284-N286 PolarHBondContact O-N 3.43Å; P284-N286 VanDerWaalsContact O-N 3.12Å; P284-E287 WeakPolarHBondContact CD-OE2 3.37Å; P284-E287 HydrophobicContact CG-CB 3.9Å; P284-E287 PolarHBondContact O-N 2.81Å; P284-A288 PolarHBondContact O-N 2.95Å; P284-A288 VanDerWaalsContact O-N 3.08Å
285	P	96.2	Very high	95	Very high	30 Å²	30	35.1 Å²	35.1	20%	0.195	18%	0.178	C	C	.	.	H	α-helix	trans	-48.1	-43.4	-176	-34	37.6	0	0	0	116	V175 A204 W280 E287 A288 V289	V175-P285 HydrophobicContact CG1-CB 4.04Å; V175-P285 HydrophobicContact CG2-CB 3.94Å; V175-P285 HydrophobicContact CG2-CG 4.18Å; A204-P285 HydrophobicContact CB-CB 4.18Å; W280-P285 HydrophobicContact CE3-CG 4.47Å; P285-E287 VanDerWaalsContact C-N 3.34Å; P285-E287 PolarHBondContact O-N 2.88Å; P285-A288 PolarHBondContact O-N 2.81Å; P285-V289 WeakPolarHBondContact O-CB 3.36Å; P285-V289 WeakPolarHBondContact O-CG2 3.29Å; P285-V289 PolarHBondContact O-N 2.96Å
286	N	95.4	Very high	94.8	Very high	110 Å²	110	35.1 Å²	35.1	59%	0.588	18%	0.178	S	C	*	.	H	α-helix	trans	-62.5	-40.3	178.7	-73	-33.8	0	0	0	112.6	A204 P284 H290	A204-N286 WeakPolarHBondContact CB-OD1 3.16Å; P284-N286 VanDerWaalsContact C-N 3.31Å; P284-N286 PolarHBondContact O-N 3.43Å; P284-N286 VanDerWaalsContact O-N 3.12Å; N286-H290 WeakPolarHBondContact O-CB 3.49Å; N286-H290 PolarHBondContact O-N 2.83Å
287	E	95.3	Very high	94.5	Very high	72 Å²	72	37.7 Å²	37.7	34%	0.336	19%	0.191	S	C	.	.	H	α-helix	trans	-71.6	-42.8	179.7	-172.6	179.4	171.2	0	0	111.1	F283 P284 P285 V289 H290 L291 R341	F283-E287 HydrophobicContact CD1-CG 4.46Å; P284-E287 WeakPolarHBondContact CD-OE2 3.37Å; P284-E287 HydrophobicContact CG-CB 3.9Å; P284-E287 PolarHBondContact O-N 2.81Å; P285-E287 VanDerWaalsContact C-N 3.34Å; P285-E287 PolarHBondContact O-N 2.88Å; E287-V289 VanDerWaalsContact C-N 3.3Å; E287-V289 PolarHBondContact O-N 2.81Å; E287-H290 PolarHBondContact O-N 3.11Å; E287-L291 WeakPolarHBondContact O-CB 3.39Å; E287-L291 PolarHBondContact O-N 2.78Å; E287-R341 IonicContact OE1-CZ 3.65Å; E287-R341 IonicContact OE1-NH1 3.61Å; E287-R341 PolarHBondContact OE1-NH1 2.82Å; E287-R341 IonicContact OE1-NH2 3.69Å; E287-R341 PolarHBondContact OE1-NH2 3.25Å; E287-R341 IonicContact OE2-NH1 2.9Å
288	A	96.2	Very high	94.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-42.7	175.3	0	0	0	0	0	111.7	L273 W280 F283 P284 P285 T292	L273-A288 HydrophobicContact CD1-CB 4.02Å; W280-A288 HydrophobicContact CZ3-CB 3.79Å; F283-A288 HydrophobicContact CB-CB 3.97Å; P284-A288 PolarHBondContact O-N 2.95Å; P284-A288 VanDerWaalsContact O-N 3.08Å; P285-A288 PolarHBondContact O-N 2.81Å; A288-T292 VanDerWaalsContact O-CB 3.31Å; A288-T292 WeakPolarHBondContact O-CB 3.4Å; A288-T292 PolarHBondContact O-N 3.25Å; A288-T292 PolarHBondContact O-OG1 3.31Å
289	V	96.5	Very high	94.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-46.3	175.3	163.5	0	0	0	0	111.2	V175 A177 L202 A204 F271 P285 E287 T292 H293	V175-V289 HydrophobicContact CG1-CG2 3.77Å; A177-V289 HydrophobicContact CB-CG1 3.73Å; A177-V289 HydrophobicContact CB-CG2 4.1Å; L202-V289 HydrophobicContact CB-CG1 4.38Å; L202-V289 HydrophobicContact CD2-CG1 3.43Å; L202-V289 VanDerWaalsContact CD2-CG1 3.43Å; L202-V289 HydrophobicContact CG-CG1 3.68Å; A204-V289 HydrophobicContact CB-CB 3.96Å; A204-V289 HydrophobicContact CB-CG1 4.39Å; A204-V289 HydrophobicContact CB-CG2 3.56Å; F271-V289 HydrophobicContact CE2-CB 4.46Å; F271-V289 HydrophobicContact CE2-CG1 4.41Å; F271-V289 HydrophobicContact CE2-CG2 4.16Å; F271-V289 HydrophobicContact CZ-CB 4.38Å; F271-V289 HydrophobicContact CZ-CG1 3.96Å; F271-V289 WeakPolarHBondContact CZ-O 3.14Å; P285-V289 WeakPolarHBondContact O-CB 3.36Å; P285-V289 WeakPolarHBondContact O-CG2 3.29Å; P285-V289 PolarHBondContact O-N 2.96Å; E287-V289 VanDerWaalsContact C-N 3.3Å; E287-V289 PolarHBondContact O-N 2.81Å; V289-T292 PolarHBondContact O-N 2.82Å; V289-H293 WeakPolarHBondContact O-CB 3.33Å; V289-H293 PolarHBondContact O-N 3.25Å
290	H	95	Very high	93.6	Very high	108 Å²	108	42.5 Å²	42.5	50%	0.5	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-47.5	178.2	-177.3	52.4	0	0	0	112.1	N286 E287 T292 H293 E294	N286-H290 WeakPolarHBondContact O-CB 3.49Å; N286-H290 PolarHBondContact O-N 2.83Å; E287-H290 PolarHBondContact O-N 3.11Å; H290-T292 PolarHBondContact O-N 3.26Å; H290-H293 WeakPolarHBondContact O-CB 3.34Å; H290-H293 PolarHBondContact O-N 3.14Å; H290-E294 IonicContact CE1-OE1 3.97Å; H290-E294 WeakPolarHBondContact O-CG 3.33Å; H290-E294 PolarHBondContact O-N 2.6Å
291	L	95.7	Very high	93.1	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.199	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-44.5	177.1	178.7	59.2	0	0	0	111.7	F283 E287 H293 E294 L295 L334 E337	F283-L291 HydrophobicContact CD1-CD2 4.48Å; F283-L291 HydrophobicContact CE1-CD2 3.85Å; F283-L291 HydrophobicContact CZ-CD2 4.33Å; E287-L291 WeakPolarHBondContact O-CB 3.39Å; E287-L291 PolarHBondContact O-N 2.78Å; L291-H293 VanDerWaalsContact C-N 3.3Å; L291-H293 PolarHBondContact O-N 2.61Å; L291-E294 PolarHBondContact O-N 3.09Å; L291-L295 HydrophobicContact CD1-CD1 4Å; L291-L295 HydrophobicContact CD1-CG 4.06Å; L291-L295 HydrophobicContact CG-CD1 3.94Å; L291-L295 HydrophobicContact CG-CG 4.44Å; L291-L295 WeakPolarHBondContact O-CB 3.5Å; L291-L295 WeakPolarHBondContact O-CG 3.37Å; L291-L295 PolarHBondContact O-N 2.94Å; L291-L334 HydrophobicContact CB-CD2 4.32Å; L291-L334 HydrophobicContact CD2-CD2 3.84Å; L291-L334 HydrophobicContact CG-CD2 3.89Å; L291-E337 HydrophobicContact CD2-CG 4.08Å
292	T	96.7	Very high	92.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-43.6	177.2	-56.5	0	0	0	0	111.2	F271 A288 V289 H290 L295 L296 V330 L334 L351	F271-T292 HydrophobicContact CD1-CG2 4.44Å; F271-T292 HydrophobicContact CD2-CG2 3.81Å; F271-T292 HydrophobicContact CE1-CG2 4.17Å; F271-T292 HydrophobicContact CE2-CG2 3.49Å; F271-T292 VanDerWaalsContact CE2-CG2 3.49Å; F271-T292 HydrophobicContact CG-CG2 4.28Å; F271-T292 HydrophobicContact CZ-CG2 3.7Å; A288-T292 VanDerWaalsContact O-CB 3.31Å; A288-T292 WeakPolarHBondContact O-CB 3.4Å; A288-T292 PolarHBondContact O-N 3.25Å; A288-T292 PolarHBondContact O-OG1 3.31Å; V289-T292 PolarHBondContact O-N 2.82Å; H290-T292 PolarHBondContact O-N 3.26Å; T292-L295 PolarHBondContact O-N 3.23Å; T292-L296 HydrophobicContact CG2-CD1 4Å; T292-L296 WeakPolarHBondContact O-CB 3.14Å; T292-L296 VanDerWaalsContact O-CG 3.3Å; T292-L296 WeakPolarHBondContact O-CG 3.39Å; T292-L296 PolarHBondContact O-N 3.21Å; T292-V330 HydrophobicContact CG2-CG1 4.07Å; T292-L334 HydrophobicContact CG2-CD1 4.24Å; T292-L334 VanDerWaalsContact OG1-CD1 3.25Å; T292-L334 WeakPolarHBondContact OG1-CD1 3.35Å; T292-L334 WeakPolarHBondContact OG1-CD2 3.42Å; T292-L351 HydrophobicContact CG2-CD1 3.84Å; T292-L351 HydrophobicContact CG2-CD2 4.37Å
293	H	94.6	Very high	92.7	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-49.8	178.2	177.6	-93.2	0	0	0	112	L202 F271 V289 H290 L291 L295 L296 M297 F358 H362	L202-H293 HydrophobicContact CD2-CB 3.78Å; F271-H293 HydrophobicContact CE1-CB 4.21Å; F271-H293 HydrophobicContact CZ-CB 4.39Å; V289-H293 WeakPolarHBondContact O-CB 3.33Å; V289-H293 PolarHBondContact O-N 3.25Å; H290-H293 WeakPolarHBondContact O-CB 3.34Å; H290-H293 PolarHBondContact O-N 3.14Å; L291-H293 VanDerWaalsContact C-N 3.3Å; L291-H293 PolarHBondContact O-N 2.61Å; H293-L295 VanDerWaalsContact C-N 3.32Å; H293-L295 PolarHBondContact O-N 3.43Å; H293-L296 PolarHBondContact O-N 2.71Å; H293-M297 WeakPolarHBondContact O-CG 3.11Å; H293-M297 PolarHBondContact O-N 2.97Å; H293-F358 AromaticContact CD2-CE2 3.77Å; H293-F358 AromaticContact CD2-CZ 3.81Å; H293-H362 AromaticContact CD2-NE2 3.7Å; H293-H362 AromaticContact CE1-CE1 3.85Å; H293-H362 AromaticContact NE2-CD2 3.97Å; H293-H362 AromaticContact NE2-CE1 3.1Å; H293-H362 PolarHBondContact NE2-CE1 2.94Å; H293-H362 AromaticContact NE2-NE2 2.94Å; H293-H362 PolarHBondContact NE2-NE2 3.17Å
294	E	94.3	Very high	92.5	Very high	77 Å²	77	47.6 Å²	47.6	36%	0.36	24%	0.236	S	C	.	.	H	α-helix	trans	-60	-41.6	178.6	-71.3	-64	136.5	0	0	111.9	N199 H290 L291 M297 Q298	N199-E294 PolarHBondContact ND2-OE1 2.99Å; H290-E294 IonicContact CE1-OE1 3.97Å; H290-E294 WeakPolarHBondContact O-CG 3.33Å; H290-E294 PolarHBondContact O-N 2.6Å; L291-E294 PolarHBondContact O-N 3.09Å; E294-M297 PolarHBondContact O-N 2.59Å; E294-Q298 WeakPolarHBondContact O-CB 3.4Å; E294-Q298 PolarHBondContact O-N 2.91Å
295	L	95.8	Very high	92.1	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.141	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-42.9	177.1	-68.7	171.6	0	0	0	112.2	L291 T292 H293 Q298 E299 V330 H333 L334	L291-L295 HydrophobicContact CD1-CD1 4Å; L291-L295 HydrophobicContact CD1-CG 4.06Å; L291-L295 HydrophobicContact CG-CD1 3.94Å; L291-L295 HydrophobicContact CG-CG 4.44Å; L291-L295 WeakPolarHBondContact O-CB 3.5Å; L291-L295 WeakPolarHBondContact O-CG 3.37Å; L291-L295 PolarHBondContact O-N 2.94Å; T292-L295 PolarHBondContact O-N 3.23Å; H293-L295 VanDerWaalsContact C-N 3.32Å; H293-L295 PolarHBondContact O-N 3.43Å; L295-Q298 PolarHBondContact O-N 2.85Å; L295-E299 WeakPolarHBondContact O-CG 3.18Å; L295-E299 PolarHBondContact O-N 3.44Å; L295-V330 HydrophobicContact CB-CB 4.37Å; L295-V330 HydrophobicContact CB-CG1 3.88Å; L295-V330 HydrophobicContact CB-CG2 3.91Å; L295-V330 HydrophobicContact CD1-CG1 4.18Å; L295-H333 HydrophobicContact CD1-CB 3.8Å; L295-H333 VanDerWaalsContact CD2-ND1 3.31Å; L295-H333 WeakPolarHBondContact CD2-ND1 3.48Å; L295-L334 HydrophobicContact CD1-CD2 4.3Å; L295-L334 HydrophobicContact CD1-CG 4.5Å
296	L	94.5	Very high	91.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-43.7	174.3	-74.1	166.8	0	0	0	111.3	F271 T292 H293 Q298 E299 I300 L322 L327 V330 V353 F358	F271-L296 HydrophobicContact CD1-CD1 3.86Å; F271-L296 HydrophobicContact CE1-CD1 4.19Å; F271-L296 HydrophobicContact CG-CD1 4.45Å; T292-L296 HydrophobicContact CG2-CD1 4Å; T292-L296 WeakPolarHBondContact O-CB 3.14Å; T292-L296 VanDerWaalsContact O-CG 3.3Å; T292-L296 WeakPolarHBondContact O-CG 3.39Å; T292-L296 PolarHBondContact O-N 3.21Å; H293-L296 PolarHBondContact O-N 2.71Å; L296-Q298 VanDerWaalsContact C-N 3.3Å; L296-Q298 PolarHBondContact O-N 3.44Å; L296-E299 PolarHBondContact O-N 3.26Å; L296-I300 WeakPolarHBondContact O-CG1 3.06Å; L296-I300 PolarHBondContact O-N 2.89Å; L296-L322 HydrophobicContact CD2-CD1 4.39Å; L296-L322 HydrophobicContact CD2-CD2 4.11Å; L296-L327 HydrophobicContact CD2-CD1 4.31Å; L296-V330 HydrophobicContact CD2-CG2 3.95Å; L296-V330 HydrophobicContact CG-CG1 4.32Å; L296-V330 HydrophobicContact CG-CG2 4.18Å; L296-V353 HydrophobicContact CD1-CG2 4.09Å; L296-V353 HydrophobicContact CD2-CG2 4.09Å; L296-F358 HydrophobicContact CB-CE1 3.88Å; L296-F358 HydrophobicContact CB-CE2 4.1Å; L296-F358 HydrophobicContact CB-CZ 3.45Å; L296-F358 VanDerWaalsContact CB-CZ 3.45Å; L296-F358 HydrophobicContact CD1-CD2 4.21Å; L296-F358 HydrophobicContact CD1-CE2 3.63Å; L296-F358 HydrophobicContact CD1-CZ 3.9Å; L296-F358 HydrophobicContact CG-CZ 4.31Å
297	M	91	Very high	90.7	Very high	55 Å²	55	50.1 Å²	50.1	27%	0.271	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-37.3	176.9	-72.1	-60.1	-69.4	0	0	112	H293 E294 I300 K301 F358 H362	H293-M297 WeakPolarHBondContact O-CG 3.11Å; H293-M297 PolarHBondContact O-N 2.97Å; E294-M297 PolarHBondContact O-N 2.59Å; M297-I300 PolarHBondContact O-N 3.21Å; M297-I300 HydrophobicContact SD-CD1 4.49Å; M297-K301 WeakPolarHBondContact O-CB 3.43Å; M297-K301 PolarHBondContact O-N 3.02Å; M297-F358 HydrophobicContact CG-CZ 4.25Å; M297-F358 HydrophobicContact SD-CE1 3.87Å; M297-F358 HydrophobicContact SD-CZ 4.11Å; M297-H362 HydrophobicContact CE-CB 4.09Å; M297-H362 HydrophobicContact SD-CB 3.93Å; M297-H362 VanDerWaalsContact SD-CG 3.6Å
298	Q	92.3	Very high	89.4	Confident	90 Å²	90	55.3 Å²	55.3	42%	0.421	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-43.2	175.2	-175.3	62.2	38.1	0	0	111.9	E294 L295 L296 I300 K301 N302	E294-Q298 WeakPolarHBondContact O-CB 3.4Å; E294-Q298 PolarHBondContact O-N 2.91Å; L295-Q298 PolarHBondContact O-N 2.85Å; L296-Q298 VanDerWaalsContact C-N 3.3Å; L296-Q298 PolarHBondContact O-N 3.44Å; Q298-I300 PolarHBondContact O-N 3.22Å; Q298-K301 PolarHBondContact O-N 3.41Å; Q298-N302 PolarHBondContact NE2-OD1 3.39Å; Q298-N302 PolarHBondContact O-N 3.2Å; Q298-N302 PolarHBondContact O-ND2 3.14Å; Q298-N302 PolarHBondContact O-OD1 3.15Å
299	E	91.7	Very high	87.7	Confident	23 Å²	23	64.7 Å²	64.7	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-43.5	174.9	-69.3	-66.6	168.4	0	0	111.5	L295 L296 K301 N302 Y303 H326 S329 V330	L295-E299 WeakPolarHBondContact O-CG 3.18Å; L295-E299 PolarHBondContact O-N 3.44Å; L296-E299 PolarHBondContact O-N 3.26Å; E299-K301 VanDerWaalsContact C-N 3.34Å; E299-K301 PolarHBondContact O-N 3.39Å; E299-N302 PolarHBondContact O-N 3.46Å; E299-Y303 PolarHBondContact O-N 3.28Å; E299-H326 HydrophobicContact CB-CB 4.03Å; E299-H326 HydrophobicContact CG-CB 4.11Å; E299-H326 IonicContact OE2-CD2 3.26Å; E299-H326 PolarHBondContact OE2-CD2 3.2Å; E299-H326 VanDerWaalsContact OE2-CD2 3.26Å; E299-S329 VanDerWaalsContact OE1-CB 3.32Å; E299-S329 WeakPolarHBondContact OE1-CB 3.37Å; E299-S329 PolarHBondContact OE1-OG 3.01Å; E299-V330 HydrophobicContact CG-CG2 4.05Å
300	I	87.1	Confident	85.9	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.036	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-43.9	175.3	-66.5	179.9	0	0	0	111.3	L296 M297 Q298 Y303 K304 I321 L322 F358 V359	L296-I300 WeakPolarHBondContact O-CG1 3.06Å; L296-I300 PolarHBondContact O-N 2.89Å; M297-I300 PolarHBondContact O-N 3.21Å; M297-I300 HydrophobicContact SD-CD1 4.49Å; Q298-I300 PolarHBondContact O-N 3.22Å; I300-Y303 PolarHBondContact O-N 3.23Å; I300-K304 HydrophobicContact CG2-CD 4.11Å; I300-K304 HydrophobicContact CG2-CG 4.47Å; I300-K304 WeakPolarHBondContact O-CB 3.25Å; I300-K304 WeakPolarHBondContact O-CG 3.1Å; I300-K304 PolarHBondContact O-N 3.03Å; I300-I321 HydrophobicContact CB-CG2 4.21Å; I300-I321 HydrophobicContact CD1-CG2 4.16Å; I300-I321 HydrophobicContact CG1-CG2 3.75Å; I300-I321 HydrophobicContact CG2-CG2 3.8Å; I300-L322 HydrophobicContact CD1-CD1 4.07Å; I300-L322 HydrophobicContact CD1-CD2 4.39Å; I300-L322 HydrophobicContact CD1-CG 4.1Å; I300-L322 HydrophobicContact CG1-CD1 4.4Å; I300-L322 HydrophobicContact CG1-CD2 3.84Å; I300-L322 HydrophobicContact CG1-CG 3.93Å; I300-F358 HydrophobicContact CD1-CD1 3.76Å; I300-F358 HydrophobicContact CD1-CE1 3.56Å; I300-V359 HydrophobicContact CD1-CG2 4.04Å
301	K	87.2	Confident	83.9	Confident	121 Å²	121	68.1 Å²	68.1	53%	0.526	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-42.9	179.5	-177.2	179.8	177.8	-178.4	0	111.3	M297 Q298 E299 K304 N305	M297-K301 WeakPolarHBondContact O-CB 3.43Å; M297-K301 PolarHBondContact O-N 3.02Å; Q298-K301 PolarHBondContact O-N 3.41Å; E299-K301 VanDerWaalsContact C-N 3.34Å; E299-K301 PolarHBondContact O-N 3.39Å; K301-K304 PolarHBondContact O-N 3.33Å; K301-N305 PolarHBondContact O-N 3.07Å; K301-N305 PolarHBondContact O-ND2 2.99Å
302	N	88.3	Confident	81.8	Confident	58 Å²	58	75.3 Å²	75.3	31%	0.31	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-50	176.4	-68.8	-14.3	0	0	0	110.8	Q298 E299 K304 N305 E306	Q298-N302 PolarHBondContact NE2-OD1 3.39Å; Q298-N302 PolarHBondContact O-N 3.2Å; Q298-N302 PolarHBondContact O-ND2 3.14Å; Q298-N302 PolarHBondContact O-OD1 3.15Å; E299-N302 PolarHBondContact O-N 3.46Å; N302-K304 PolarHBondContact O-N 3.39Å; N302-N305 WeakPolarHBondContact O-CB 3.41Å; N302-N305 PolarHBondContact O-N 2.7Å; N302-N305 VanDerWaalsContact O-N 3.08Å; N302-E306 PolarHBondContact O-N 3.34Å; N302-E306 VanDerWaalsContact O-N 3.08Å
303	Y	84.3	Confident	79.6	Confident	29 Å²	29	77.6 Å²	77.6	11%	0.114	39%	0.386	C	S	.	.	H	α-helix	trans	-56.7	-46.7	177.3	176.5	-93	0	0	0	112.5	E299 I300 N305 E306 H307 R320 I321	E299-Y303 PolarHBondContact O-N 3.28Å; I300-Y303 PolarHBondContact O-N 3.23Å; Y303-N305 VanDerWaalsContact C-N 3.28Å; Y303-N305 PolarHBondContact O-N 3.3Å; Y303-E306 PolarHBondContact O-N 3.26Å; Y303-H307 AromaticContact CD2-CE1 3.68Å; Y303-H307 AromaticContact CD2-ND1 3.71Å; Y303-H307 AromaticContact CE2-CE1 3.31Å; Y303-H307 WeakPolarHBondContact CE2-CE1 3.36Å; Y303-H307 AromaticContact CE2-ND1 3.53Å; Y303-H307 AromaticContact CE2-NE2 3.85Å; Y303-H307 AromaticContact CZ-CE1 3.9Å; Y303-H307 AromaticContact CZ-ND1 3.8Å; Y303-H307 PolarHBondContact O-N 2.92Å; Y303-H307 PolarHBondContact O-ND1 3.15Å; Y303-R320 VanDerWaalsContact CE2-O 3.23Å; Y303-R320 WeakPolarHBondContact CE2-O 3.18Å; Y303-I321 HydrophobicContact CD1-CG1 4.24Å; Y303-I321 HydrophobicContact CE1-CG1 3.99Å
304	K	82.2	Confident	77.7	Confident	71 Å²	71	84.9 Å²	84.9	31%	0.309	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-36.7	177.5	-76.6	179.8	178.3	-179.8	0	112.1	I300 K301 N302 R308	I300-K304 HydrophobicContact CG2-CD 4.11Å; I300-K304 HydrophobicContact CG2-CG 4.47Å; I300-K304 WeakPolarHBondContact O-CB 3.25Å; I300-K304 WeakPolarHBondContact O-CG 3.1Å; I300-K304 PolarHBondContact O-N 3.03Å; K301-K304 PolarHBondContact O-N 3.33Å; N302-K304 PolarHBondContact O-N 3.39Å; K304-R308 WeakPolarHBondContact O-CG 3.46Å; K304-R308 PolarHBondContact O-N 2.98Å
305	N	84.1	Confident	75.8	Confident	68 Å²	68	82.9 Å²	82.9	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-69.3	-40.4	178.7	-70	-20.5	0	0	0	112.3	K301 N302 Y303 H307 R308	K301-N305 PolarHBondContact O-N 3.07Å; K301-N305 PolarHBondContact O-ND2 2.99Å; N302-N305 WeakPolarHBondContact O-CB 3.41Å; N302-N305 PolarHBondContact O-N 2.7Å; N302-N305 VanDerWaalsContact O-N 3.08Å; Y303-N305 VanDerWaalsContact C-N 3.28Å; Y303-N305 PolarHBondContact O-N 3.3Å; N305-H307 VanDerWaalsContact C-N 3.29Å; N305-H307 PolarHBondContact O-N 3.5Å; N305-R308 VanDerWaalsContact OD1-CZ 3.26Å; N305-R308 PolarHBondContact OD1-NE 2.9Å; N305-R308 VanDerWaalsContact OD1-NE 3.16Å; N305-R308 PolarHBondContact OD1-NH2 2.83Å
306	E	82.6	Confident	73.9	Confident	135 Å²	135	84.9 Å²	84.9	63%	0.631	43%	0.428	S	S	*	.	H	α-helix	trans	-66.8	-29.1	177.9	-69.4	171.6	-177.7	0	0	112.7	N302 Y303	N302-E306 PolarHBondContact O-N 3.34Å; N302-E306 VanDerWaalsContact O-N 3.08Å; Y303-E306 PolarHBondContact O-N 3.26Å
307	H	78.3	Confident	72.5	Confident	65 Å²	65	87.5 Å²	87.5	30%	0.301	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	9.3	-175.1	-65.3	78.2	0	0	0	114.6	Y303 N305 E309 S310	Y303-H307 AromaticContact CD2-CE1 3.68Å; Y303-H307 AromaticContact CD2-ND1 3.71Å; Y303-H307 AromaticContact CE2-CE1 3.31Å; Y303-H307 WeakPolarHBondContact CE2-CE1 3.36Å; Y303-H307 AromaticContact CE2-ND1 3.53Å; Y303-H307 AromaticContact CE2-NE2 3.85Å; Y303-H307 AromaticContact CZ-CE1 3.9Å; Y303-H307 AromaticContact CZ-ND1 3.8Å; Y303-H307 PolarHBondContact O-N 2.92Å; Y303-H307 PolarHBondContact O-ND1 3.15Å; N305-H307 VanDerWaalsContact C-N 3.29Å; N305-H307 PolarHBondContact O-N 3.5Å; H307-E309 PolarHBondContact O-N 3.31Å; H307-S310 PolarHBondContact O-N 2.93Å; H307-S310 VanDerWaalsContact O-N 3.15Å
308	R	68.7	Low	71.2	Confident	181 Å²	181	86.6 Å²	86.6	68%	0.683	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-56.9	-35.5	-179.2	-70.4	-170.7	-179.6	-170.6	-0.8	113.4	K304 N305 S310	K304-R308 WeakPolarHBondContact O-CG 3.46Å; K304-R308 PolarHBondContact O-N 2.98Å; N305-R308 VanDerWaalsContact OD1-CZ 3.26Å; N305-R308 PolarHBondContact OD1-NE 2.9Å; N305-R308 VanDerWaalsContact OD1-NE 3.16Å; N305-R308 PolarHBondContact OD1-NH2 2.83Å; R308-S310 VanDerWaalsContact C-N 3.27Å; R308-S310 PolarHBondContact O-N 3.43Å
309	E	60	Low	69.8	Low	198 Å²	198	85.9 Å²	85.9	93%	0.925	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-75.8	-14.3	-176	-63.3	-175.4	169.1	0	0	113.2	H307	H307-E309 PolarHBondContact O-N 3.31Å
310	S	58.7	Low	68.6	Low	100 Å²	100	91.9 Å²	91.9	70%	0.699	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-102.4	-7	-173	-65.1	0	0	0	0	115.1	H307 R308	H307-S310 PolarHBondContact O-N 2.93Å; H307-S310 VanDerWaalsContact O-N 3.15Å; R308-S310 VanDerWaalsContact C-N 3.27Å; R308-S310 PolarHBondContact O-N 3.43Å
311	Q	53.1	Low	68.1	Low	81 Å²	81	91.9 Å²	91.9	38%	0.379	46%	0.462	S	S	.	.			trans	-126.9	100.4	-169.7	-64	-168.8	4.8	0	0	113.7	G313	Q311-G313 PolarHBondContact O-N 2.92Å
312	N	51.5	Low	67.9	Low	189 Å²	189	86.1 Å²	86.1	100%	1.011	44%	0.437	S	S	*	.	S	Bend	trans	-83.9	19.7	157.6	-91.4	-9	0	0	0	112.3
313	G	52.2	Low	68	Low	48 Å²	48	85.4 Å²	85.4	50%	0.495	44%	0.436	S	S	.	.	S	Bend	trans	-151.6	152.5	-178.3	0	0	0	0	0	113.2	Q311 C315	Q311-G313 PolarHBondContact O-N 2.92Å; G313-C315 PolarHBondContact O-N 2.78Å
314	Q	53	Low	68.3	Low	160 Å²	160	87.8 Å²	87.8	75%	0.748	45%	0.448	S	S	*	.			trans	-61.4	113.7	174.8	-84.2	172.4	-25.2	0	0	110.5	T316	Q314-T316 PolarHBondContact O-N 3.01Å
315	C	55.2	Low	68.8	Low	34 Å²	34	91 Å²	91	23%	0.23	46%	0.459	C	S	.	.			trans	-80.7	99.3	167.8	-179.3	0	0	0	0	109.5	G313 D317	G313-C315 PolarHBondContact O-N 2.78Å; C315-D317 VanDerWaalsContact C-N 3.26Å
316	T	55.8	Low	69.2	Low	69 Å²	69	88 Å²	88	42%	0.423	44%	0.442	S	S	.	.			trans	-82.4	-0.5	172.5	52.4	0	0	0	0	113.1	Q314 Y318	Q314-T316 PolarHBondContact O-N 3.01Å; T316-Y318 VanDerWaalsContact C-N 3.29Å; T316-Y318 WeakPolarHBondContact O-CD2 3.08Å; T316-Y318 PolarHBondContact O-N 3.17Å
317	D	64.4	Low	69.8	Low	56 Å²	56	81.6 Å²	81.6	30%	0.299	41%	0.412	S	S	.	.			trans	-74.9	82.9	174.9	-169.7	-8.2	0	0	0	110.5	C315 S319 R320	C315-D317 VanDerWaalsContact C-N 3.26Å; D317-S319 PolarHBondContact O-N 3.44Å; D317-S319 VanDerWaalsContact O-N 3.16Å; D317-S319 WeakPolarHBondContact OD1-CB 3.09Å; D317-S319 PolarHBondContact OD1-N 3.45Å; D317-S319 PolarHBondContact OD1-OG 3.04Å; D317-R320 HydrophobicContact CB-CG 4.16Å; D317-R320 WeakPolarHBondContact O-CB 2.97Å; D317-R320 PolarHBondContact O-N 3.31Å; D317-R320 WeakPolarHBondContact OD2-CD 3.33Å; D317-R320 VanDerWaalsContact OD2-CG 3.31Å; D317-R320 WeakPolarHBondContact OD2-CG 3.24Å; D317-R320 IonicContact OD2-CZ 3.67Å; D317-R320 IonicContact OD2-NE 2.77Å; D317-R320 PolarHBondContact OD2-NE 3.18Å; D317-R320 IonicContact OD2-NH2 3.89Å
318	Y	65.6	Low	70.7	Confident	36 Å²	36	81.5 Å²	81.5	14%	0.141	41%	0.414	C	S	.	.	H	α-helix	trans	-57.2	-27.7	-179.6	-55.3	-54.5	0	0	0	113.1	T316 R320 I321 L322 T356 V359 K360	T316-Y318 VanDerWaalsContact C-N 3.29Å; T316-Y318 WeakPolarHBondContact O-CD2 3.08Å; T316-Y318 PolarHBondContact O-N 3.17Å; Y318-R320 VanDerWaalsContact C-N 3.26Å; Y318-R320 PolarHBondContact O-N 3.05Å; Y318-I321 HydrophobicContact CD1-CD1 4.5Å; Y318-I321 PolarHBondContact O-N 2.8Å; Y318-I321 VanDerWaalsContact O-N 3.15Å; Y318-L322 PolarHBondContact O-N 2.91Å; Y318-T356 HydrophobicContact CD2-CG2 4.12Å; Y318-V359 HydrophobicContact CD1-CB 3.38Å; Y318-V359 HydrophobicContact CD1-CG1 3.33Å; Y318-V359 HydrophobicContact CD1-CG2 4.34Å; Y318-V359 HydrophobicContact CE1-CB 3.95Å; Y318-V359 HydrophobicContact CE1-CG1 3.75Å; Y318-V359 HydrophobicContact CG-CB 4.08Å; Y318-V359 HydrophobicContact CG-CG1 4.4Å; Y318-K360 HydrophobicContact CE1-CB 4.42Å; Y318-K360 HydrophobicContact CE2-CB 4.42Å
319	S	61	Low	72	Confident	74 Å²	74	75.3 Å²	75.3	52%	0.517	40%	0.399	S	S	.	.	H	α-helix	trans	-68.9	-24	177.9	78.3	0	0	0	0	113.1	D317 L322	D317-S319 PolarHBondContact O-N 3.44Å; D317-S319 VanDerWaalsContact O-N 3.16Å; D317-S319 WeakPolarHBondContact OD1-CB 3.09Å; D317-S319 PolarHBondContact OD1-N 3.45Å; D317-S319 PolarHBondContact OD1-OG 3.04Å; S319-L322 VanDerWaalsContact O-O 3.05Å
320	R	67.6	Low	73.9	Confident	150 Å²	150	66 Å²	66	57%	0.566	36%	0.355	S	S	*	.	H	α-helix	trans	-78.2	-31.1	171	-66.6	179.7	-168.3	-158.7	-3.2	112.4	Y303 D317 Y318	Y303-R320 VanDerWaalsContact CE2-O 3.23Å; Y303-R320 WeakPolarHBondContact CE2-O 3.18Å; D317-R320 HydrophobicContact CB-CG 4.16Å; D317-R320 WeakPolarHBondContact O-CB 2.97Å; D317-R320 PolarHBondContact O-N 3.31Å; D317-R320 WeakPolarHBondContact OD2-CD 3.33Å; D317-R320 VanDerWaalsContact OD2-CG 3.31Å; D317-R320 WeakPolarHBondContact OD2-CG 3.24Å; D317-R320 IonicContact OD2-CZ 3.67Å; D317-R320 IonicContact OD2-NE 2.77Å; D317-R320 PolarHBondContact OD2-NE 3.18Å; D317-R320 IonicContact OD2-NH2 3.89Å; Y318-R320 VanDerWaalsContact C-N 3.26Å; Y318-R320 PolarHBondContact O-N 3.05Å
321	I	75.7	Confident	75.7	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.036	32%	0.322	C	S	.	.	H	α-helix	trans	-76.3	-45.4	-176.3	-65.4	170	0	0	0	110.7	I300 Y303 Y318 H326 V359	I300-I321 HydrophobicContact CB-CG2 4.21Å; I300-I321 HydrophobicContact CD1-CG2 4.16Å; I300-I321 HydrophobicContact CG1-CG2 3.75Å; I300-I321 HydrophobicContact CG2-CG2 3.8Å; Y303-I321 HydrophobicContact CD1-CG1 4.24Å; Y303-I321 HydrophobicContact CE1-CG1 3.99Å; Y318-I321 HydrophobicContact CD1-CD1 4.5Å; Y318-I321 PolarHBondContact O-N 2.8Å; Y318-I321 VanDerWaalsContact O-N 3.15Å; I321-H326 PolarHBondContact O-CE1 3.1Å; I321-H326 PolarHBondContact O-ND1 2.85Å; I321-H326 VanDerWaalsContact O-ND1 3.17Å; I321-V359 HydrophobicContact CB-CG1 4.47Å; I321-V359 HydrophobicContact CB-CG2 4.44Å; I321-V359 HydrophobicContact CD1-CG1 3.75Å; I321-V359 HydrophobicContact CG2-CG1 4.09Å; I321-V359 HydrophobicContact CG2-CG2 4.04Å
322	L	84.6	Confident	77.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-119.4	119.1	171.6	-75.9	176.8	0	0	0	109.3	L42 L296 I300 Y318 S319 H326 V353 P355 F358 V359	L42-L322 VanDerWaalsContact CD1-O 3.25Å; L42-L322 WeakPolarHBondContact CD1-O 3.45Å; L296-L322 HydrophobicContact CD2-CD1 4.39Å; L296-L322 HydrophobicContact CD2-CD2 4.11Å; I300-L322 HydrophobicContact CD1-CD1 4.07Å; I300-L322 HydrophobicContact CD1-CD2 4.39Å; I300-L322 HydrophobicContact CD1-CG 4.1Å; I300-L322 HydrophobicContact CG1-CD1 4.4Å; I300-L322 HydrophobicContact CG1-CD2 3.84Å; I300-L322 HydrophobicContact CG1-CG 3.93Å; Y318-L322 PolarHBondContact O-N 2.91Å; S319-L322 VanDerWaalsContact O-O 3.05Å; L322-H326 HydrophobicContact CD2-CB 4.06Å; L322-V353 HydrophobicContact CD1-CG1 4.24Å; L322-P355 HydrophobicContact CB-CB 4.43Å; L322-F358 HydrophobicContact CD1-CD1 3.72Å; L322-F358 HydrophobicContact CD1-CE1 4.29Å; L322-F358 HydrophobicContact CD1-CG 4.24Å; L322-V359 HydrophobicContact CD1-CG2 4Å; L322-V359 HydrophobicContact CG-CG2 4.29Å
323	C	88.6	Confident	80.1	Confident	43 Å²	43	55.2 Å²	55.2	29%	0.291	29%	0.292	S	S	.	.			trans	-127.5	176.3	177.6	72.9	0	0	0	0	110.1	R325 H326 L327	C323-R325 VanDerWaalsContact C-N 3.27Å; C323-R325 PolarHBondContact O-N 2.97Å; C323-H326 PolarHBondContact N-ND1 3.47Å; C323-H326 WeakPolarHBondContact O-CB 3.41Å; C323-H326 PolarHBondContact O-N 3.4Å; C323-L327 PolarHBondContact O-N 3.04Å
324	Q	91.6	Very high	82.2	Confident	78 Å²	78	53 Å²	53	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-51.6	-44.7	-176.8	-170.4	61.1	40.3	0	0	113	C43 H326 L327 D328	C43-Q324 PolarHBondContact O-NE2 2.81Å; C43-Q324 PolarHBondContact O-OE1 2.52Å; Q324-H326 VanDerWaalsContact C-N 3.29Å; Q324-H326 PolarHBondContact O-N 3.45Å; Q324-L327 PolarHBondContact O-N 3.05Å; Q324-L327 VanDerWaalsContact O-N 3.09Å; Q324-D328 PolarHBondContact NE2-OD1 3.18Å; Q324-D328 PolarHBondContact O-N 2.88Å
325	R	93.1	Very high	84.3	Confident	140 Å²	140	45.4 Å²	45.4	53%	0.528	23%	0.233	S	C	.	.	H	α-helix	trans	-57.2	-40.2	179.7	-172.6	-170	68.9	79.6	-5.7	112.8	C323 S329	C323-R325 VanDerWaalsContact C-N 3.27Å; C323-R325 PolarHBondContact O-N 2.97Å; R325-S329 WeakPolarHBondContact O-CB 3.49Å; R325-S329 PolarHBondContact O-N 3.46Å; R325-S329 VanDerWaalsContact O-N 3.12Å
326	H	92.7	Very high	86.2	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-67	-43.8	178.2	-57.5	140.7	0	0	0	110.2	E299 I321 L322 C323 Q324 S329 V330	E299-H326 HydrophobicContact CB-CB 4.03Å; E299-H326 HydrophobicContact CG-CB 4.11Å; E299-H326 IonicContact OE2-CD2 3.26Å; E299-H326 PolarHBondContact OE2-CD2 3.2Å; E299-H326 VanDerWaalsContact OE2-CD2 3.26Å; I321-H326 PolarHBondContact O-CE1 3.1Å; I321-H326 PolarHBondContact O-ND1 2.85Å; I321-H326 VanDerWaalsContact O-ND1 3.17Å; L322-H326 HydrophobicContact CD2-CB 4.06Å; C323-H326 PolarHBondContact N-ND1 3.47Å; C323-H326 WeakPolarHBondContact O-CB 3.41Å; C323-H326 PolarHBondContact O-N 3.4Å; Q324-H326 VanDerWaalsContact C-N 3.29Å; Q324-H326 PolarHBondContact O-N 3.45Å; H326-S329 WeakPolarHBondContact O-CB 3.34Å; H326-S329 PolarHBondContact O-N 2.77Å; H326-V330 WeakPolarHBondContact O-CG2 3.37Å; H326-V330 PolarHBondContact O-N 3.24Å
327	L	95.1	Very high	88.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-40.6	177	-94.6	70.2	0	0	0	112.7	L42 L296 C323 Q324 S329 V330 C331 L351 V353	L42-L327 VanDerWaalsContact C-CD2 3.44Å; L42-L327 HydrophobicContact CB-CD1 4.34Å; L42-L327 HydrophobicContact CB-CD2 3.37Å; L42-L327 HydrophobicContact CB-CG 4.45Å; L42-L327 HydrophobicContact CD1-CD1 4.19Å; L42-L327 WeakPolarHBondContact O-CD2 2.71Å; L296-L327 HydrophobicContact CD2-CD1 4.31Å; C323-L327 PolarHBondContact O-N 3.04Å; Q324-L327 PolarHBondContact O-N 3.05Å; Q324-L327 VanDerWaalsContact O-N 3.09Å; L327-S329 VanDerWaalsContact C-N 3.3Å; L327-S329 PolarHBondContact O-N 3.29Å; L327-V330 PolarHBondContact O-N 2.98Å; L327-C331 VanDerWaalsContact O-CB 3.27Å; L327-C331 WeakPolarHBondContact O-CB 3.44Å; L327-C331 PolarHBondContact O-N 3.26Å; L327-L351 HydrophobicContact CG-CD2 4.34Å; L327-V353 HydrophobicContact CD1-CB 4.17Å; L327-V353 HydrophobicContact CD1-CG2 3.91Å; L327-V353 HydrophobicContact CD2-CB 3.97Å; L327-V353 HydrophobicContact CD2-CG2 3.72Å; L327-V353 HydrophobicContact CG-CB 4.3Å; L327-V353 HydrophobicContact CG-CG2 3.72Å
328	D	96.8	Very high	89.5	Confident	64 Å²	64	41.6 Å²	41.6	34%	0.342	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-41.9	176.9	-63.5	-19.8	0	0	0	110.8	S44 Q324 T332	S44-D328 WeakPolarHBondContact CB-OD1 3.45Å; S44-D328 WeakPolarHBondContact OG-CA 3.41Å; S44-D328 PolarHBondContact OG-OD1 2.76Å; Q324-D328 PolarHBondContact NE2-OD1 3.18Å; Q324-D328 PolarHBondContact O-N 2.88Å; D328-T332 WeakPolarHBondContact O-CB 3.38Å; D328-T332 PolarHBondContact O-N 3.07Å; D328-T332 PolarHBondContact O-OG1 3.02Å
329	S	96.7	Very high	90.7	Very high	51 Å²	51	41 Å²	41	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-52.8	174.4	178.8	0	0	0	0	111.4	E299 R325 H326 L327 C331 T332 H333	E299-S329 VanDerWaalsContact OE1-CB 3.32Å; E299-S329 WeakPolarHBondContact OE1-CB 3.37Å; E299-S329 PolarHBondContact OE1-OG 3.01Å; R325-S329 WeakPolarHBondContact O-CB 3.49Å; R325-S329 PolarHBondContact O-N 3.46Å; R325-S329 VanDerWaalsContact O-N 3.12Å; H326-S329 WeakPolarHBondContact O-CB 3.34Å; H326-S329 PolarHBondContact O-N 2.77Å; L327-S329 VanDerWaalsContact C-N 3.3Å; L327-S329 PolarHBondContact O-N 3.29Å; S329-C331 PolarHBondContact O-N 2.6Å; S329-T332 PolarHBondContact O-N 3.48Å; S329-H333 PolarHBondContact O-N 2.94Å
330	V	97.9	Very high	92.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-48.8	179.9	175.2	0	0	0	0	111.3	T292 L295 L296 E299 H326 L327 T332 H333 L334 L351	T292-V330 HydrophobicContact CG2-CG1 4.07Å; L295-V330 HydrophobicContact CB-CB 4.37Å; L295-V330 HydrophobicContact CB-CG1 3.88Å; L295-V330 HydrophobicContact CB-CG2 3.91Å; L295-V330 HydrophobicContact CD1-CG1 4.18Å; L296-V330 HydrophobicContact CD2-CG2 3.95Å; L296-V330 HydrophobicContact CG-CG1 4.32Å; L296-V330 HydrophobicContact CG-CG2 4.18Å; E299-V330 HydrophobicContact CG-CG2 4.05Å; H326-V330 WeakPolarHBondContact O-CG2 3.37Å; H326-V330 PolarHBondContact O-N 3.24Å; L327-V330 PolarHBondContact O-N 2.98Å; V330-T332 VanDerWaalsContact C-N 3.33Å; V330-T332 PolarHBondContact O-N 2.96Å; V330-H333 WeakPolarHBondContact O-CB 3.37Å; V330-H333 PolarHBondContact O-N 3.19Å; V330-L334 HydrophobicContact CG1-CD1 4.43Å; V330-L334 WeakPolarHBondContact O-CG 3.16Å; V330-L334 PolarHBondContact O-N 2.93Å; V330-L351 HydrophobicContact CB-CD2 4.07Å; V330-L351 HydrophobicContact CG1-CD2 3.74Å
331	C	98.2	Very high	93.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-39.6	-179	-165.8	0	0	0	0	111.5	S44 V46 L327 S329 H333 L334 V335 C349 L351	S44-C331 WeakPolarHBondContact OG-CB 3.37Å; V46-C331 HydrophobicContact CG2-CB 3.89Å; L327-C331 VanDerWaalsContact O-CB 3.27Å; L327-C331 WeakPolarHBondContact O-CB 3.44Å; L327-C331 PolarHBondContact O-N 3.26Å; S329-C331 PolarHBondContact O-N 2.6Å; C331-H333 VanDerWaalsContact C-N 3.31Å; C331-H333 PolarHBondContact O-N 3.14Å; C331-L334 PolarHBondContact O-N 2.75Å; C331-V335 PolarHBondContact O-N 3.17Å; C331-V335 VanDerWaalsContact O-N 3.15Å; C331-C349 PolarHBondContact SG-O 3.39Å; C331-L351 HydrophobicContact CB-CB 4.19Å; C331-L351 HydrophobicContact CB-CD2 4.3Å
332	T	98.1	Very high	94	Very high	63 Å²	63	47.2 Å²	47.2	39%	0.387	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-39.5	174.9	-61.5	0	0	0	0	111.6	D328 S329 V330 S336	D328-T332 WeakPolarHBondContact O-CB 3.38Å; D328-T332 PolarHBondContact O-N 3.07Å; D328-T332 PolarHBondContact O-OG1 3.02Å; S329-T332 PolarHBondContact O-N 3.48Å; V330-T332 VanDerWaalsContact C-N 3.33Å; V330-T332 PolarHBondContact O-N 2.96Å; T332-S336 VanDerWaalsContact O-CB 3.23Å; T332-S336 WeakPolarHBondContact O-CB 3.29Å; T332-S336 PolarHBondContact O-N 2.66Å; T332-S336 PolarHBondContact O-OG 3.47Å
333	H	97.4	Very high	94.2	Very high	81 Å²	81	47.7 Å²	47.7	38%	0.375	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-49.1	176.3	-162.6	141.1	0	0	0	110.8	L295 S329 V330 C331 V335 S336 E337	L295-H333 HydrophobicContact CD1-CB 3.8Å; L295-H333 VanDerWaalsContact CD2-ND1 3.31Å; L295-H333 WeakPolarHBondContact CD2-ND1 3.48Å; S329-H333 PolarHBondContact O-N 2.94Å; V330-H333 WeakPolarHBondContact O-CB 3.37Å; V330-H333 PolarHBondContact O-N 3.19Å; C331-H333 VanDerWaalsContact C-N 3.31Å; C331-H333 PolarHBondContact O-N 3.14Å; H333-V335 VanDerWaalsContact C-N 3.34Å; H333-V335 PolarHBondContact O-N 3.26Å; H333-S336 PolarHBondContact O-N 3.13Å; H333-S336 VanDerWaalsContact O-N 3.13Å; H333-E337 WeakPolarHBondContact O-CB 3.32Å; H333-E337 PolarHBondContact O-N 3.1Å
334	L	97.1	Very high	94.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-55.3	-47.7	178.9	-67	171.6	0	0	0	112.3	L273 L279 L291 T292 L295 V330 C331 A338	L273-L334 HydrophobicContact CD2-CD1 3.88Å; L279-L334 HydrophobicContact CD1-CB 4.46Å; L291-L334 HydrophobicContact CB-CD2 4.32Å; L291-L334 HydrophobicContact CD2-CD2 3.84Å; L291-L334 HydrophobicContact CG-CD2 3.89Å; T292-L334 HydrophobicContact CG2-CD1 4.24Å; T292-L334 VanDerWaalsContact OG1-CD1 3.25Å; T292-L334 WeakPolarHBondContact OG1-CD1 3.35Å; T292-L334 WeakPolarHBondContact OG1-CD2 3.42Å; L295-L334 HydrophobicContact CD1-CD2 4.3Å; L295-L334 HydrophobicContact CD1-CG 4.5Å; V330-L334 HydrophobicContact CG1-CD1 4.43Å; V330-L334 WeakPolarHBondContact O-CG 3.16Å; V330-L334 PolarHBondContact O-N 2.93Å; C331-L334 PolarHBondContact O-N 2.75Å; L334-A338 PolarHBondContact O-N 2.78Å; L334-A338 VanDerWaalsContact O-N 3.14Å
335	V	97.2	Very high	94.4	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-39.2	178.5	172	0	0	0	0	111.6	V46 R48 C331 H333 A338 V339 V347 C349	V46-V335 HydrophobicContact CB-CB 4.42Å; V46-V335 HydrophobicContact CB-CG2 3.91Å; V46-V335 HydrophobicContact CG1-CB 3.91Å; V46-V335 HydrophobicContact CG1-CG1 4.02Å; V46-V335 HydrophobicContact CG1-CG2 3.92Å; R48-V335 HydrophobicContact CB-CG1 3.61Å; C331-V335 PolarHBondContact O-N 3.17Å; C331-V335 VanDerWaalsContact O-N 3.15Å; H333-V335 VanDerWaalsContact C-N 3.34Å; H333-V335 PolarHBondContact O-N 3.26Å; V335-A338 WeakPolarHBondContact O-CB 3.15Å; V335-A338 PolarHBondContact O-N 3.01Å; V335-V339 PolarHBondContact O-N 3.03Å; V335-V347 HydrophobicContact CB-CG1 4.31Å; V335-V347 HydrophobicContact CG1-CB 4.02Å; V335-V347 HydrophobicContact CG1-CG1 3.87Å; V335-V347 HydrophobicContact CG2-CG1 4.22Å; V335-C349 HydrophobicContact CG2-CB 3.67Å
336	S	95.3	Very high	94.6	Very high	34 Å²	34	37.5 Å²	37.5	24%	0.238	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-40.2	179.2	-62.8	0	0	0	0	112.4	T332 H333 A338 V339 L340	T332-S336 VanDerWaalsContact O-CB 3.23Å; T332-S336 WeakPolarHBondContact O-CB 3.29Å; T332-S336 PolarHBondContact O-N 2.66Å; T332-S336 PolarHBondContact O-OG 3.47Å; H333-S336 PolarHBondContact O-N 3.13Å; H333-S336 VanDerWaalsContact O-N 3.13Å; S336-A338 VanDerWaalsContact C-N 3.29Å; S336-A338 PolarHBondContact O-N 2.8Å; S336-V339 PolarHBondContact O-N 3.38Å; S336-L340 WeakPolarHBondContact O-CG 3.48Å; S336-L340 PolarHBondContact O-N 3.45Å
337	E	95.1	Very high	94.8	Very high	45 Å²	45	37.3 Å²	37.3	21%	0.21	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-35.5	176.3	-178.9	65.9	-161.5	0	0	110.7	F283 L291 H333 V339 L340 R341	F283-E337 HydrophobicContact CE1-CB 4.25Å; F283-E337 HydrophobicContact CE1-CG 3.46Å; F283-E337 VanDerWaalsContact CE1-CG 3.46Å; F283-E337 HydrophobicContact CZ-CB 3.65Å; F283-E337 HydrophobicContact CZ-CG 3.34Å; L291-E337 HydrophobicContact CD2-CG 4.08Å; H333-E337 WeakPolarHBondContact O-CB 3.32Å; H333-E337 PolarHBondContact O-N 3.1Å; E337-V339 VanDerWaalsContact C-N 3.33Å; E337-V339 PolarHBondContact O-N 2.74Å; E337-L340 PolarHBondContact O-N 3.2Å; E337-R341 WeakPolarHBondContact O-CB 3.32Å; E337-R341 VanDerWaalsContact O-CG 3.28Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 2.95Å; E337-R341 IonicContact OE1-CZ 3.62Å; E337-R341 IonicContact OE1-NE 2.88Å; E337-R341 PolarHBondContact OE1-NE 2.8Å; E337-R341 IonicContact OE1-NH2 2.96Å
338	A	94.8	Very high	95	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-45.3	173.2	0	0	0	0	0	112.3	L279 S282 F283 L334 V335 S336 R341 S343 V347	L279-A338 HydrophobicContact CD1-CB 4.03Å; S282-A338 PolarHBondContact OG-O 2.78Å; S282-A338 VanDerWaalsContact OG-O 3.05Å; F283-A338 HydrophobicContact CE2-CB 3.7Å; F283-A338 HydrophobicContact CZ-CB 4.4Å; L334-A338 PolarHBondContact O-N 2.78Å; L334-A338 VanDerWaalsContact O-N 3.14Å; V335-A338 WeakPolarHBondContact O-CB 3.15Å; V335-A338 PolarHBondContact O-N 3.01Å; S336-A338 VanDerWaalsContact C-N 3.29Å; S336-A338 PolarHBondContact O-N 2.8Å; A338-R341 CarbonylContact O-C 3.54Å; A338-R341 PolarHBondContact O-N 3.27Å; A338-S343 WeakPolarHBondContact O-CB 3.27Å; A338-S343 PolarHBondContact O-N 3.2Å; A338-V347 HydrophobicContact CB-CG1 3.89Å; A338-V347 HydrophobicContact CB-CG2 4.28Å
339	V	90.9	Very high	95.1	Very high	24 Å²	24	34.3 Å²	34.3	15%	0.145	19%	0.185	C	C	.	.	H	α-helix	trans	-71.3	-37.6	179	177.9	0	0	0	0	111.3	R48 V335 S336 E337 R341 M342 V347	R48-V339 HydrophobicContact CG-CG2 4.43Å; V335-V339 PolarHBondContact O-N 3.03Å; S336-V339 PolarHBondContact O-N 3.38Å; E337-V339 VanDerWaalsContact C-N 3.33Å; E337-V339 PolarHBondContact O-N 2.74Å; V339-R341 PolarHBondContact O-N 2.62Å; V339-M342 WeakPolarHBondContact O-CA 3.35Å; V339-M342 PolarHBondContact O-N 3.15Å; V339-V347 HydrophobicContact CG2-CG2 4.08Å
340	L	91.5	Very high	95.1	Very high	127 Å²	127	31.9 Å²	31.9	67%	0.665	17%	0.168	S	C	*	.	H	α-helix	trans	-62.2	-33.5	173.3	-73.2	172.4	0	0	0	112	S336 E337 M342	S336-L340 WeakPolarHBondContact O-CG 3.48Å; S336-L340 PolarHBondContact O-N 3.45Å; E337-L340 PolarHBondContact O-N 3.2Å; L340-M342 PolarHBondContact O-N 2.97Å; L340-M342 VanDerWaalsContact O-N 3.11Å
341	R	92.3	Very high	95.2	Very high	96 Å²	96	31.8 Å²	31.8	36%	0.362	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	22	170.5	-66.7	175.3	177.8	-145.4	2.6	113.4	S282 F283 E287 E337 A338 V339 S343	S282-R341 PolarHBondContact O-NH1 3.16Å; F283-R341 VanDerWaalsContact CD1-NH1 3.34Å; E287-R341 IonicContact OE1-CZ 3.65Å; E287-R341 IonicContact OE1-NH1 3.61Å; E287-R341 PolarHBondContact OE1-NH1 2.82Å; E287-R341 IonicContact OE1-NH2 3.69Å; E287-R341 PolarHBondContact OE1-NH2 3.25Å; E287-R341 IonicContact OE2-NH1 2.9Å; E337-R341 WeakPolarHBondContact O-CB 3.32Å; E337-R341 VanDerWaalsContact O-CG 3.28Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 2.95Å; E337-R341 IonicContact OE1-CZ 3.62Å; E337-R341 IonicContact OE1-NE 2.88Å; E337-R341 PolarHBondContact OE1-NE 2.8Å; E337-R341 IonicContact OE1-NH2 2.96Å; A338-R341 CarbonylContact O-C 3.54Å; A338-R341 PolarHBondContact O-N 3.27Å; V339-R341 PolarHBondContact O-N 2.62Å; R341-S343 VanDerWaalsContact C-N 3.31Å; R341-S343 PolarHBondContact O-N 2.8Å
342	M	88.3	Confident	95.2	Very high	138 Å²	138	31.9 Å²	31.9	68%	0.68	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	29.4	175.8	-54	-61.6	-56.5	0	0	114.2	V339 L340 G344	V339-M342 WeakPolarHBondContact O-CA 3.35Å; V339-M342 PolarHBondContact O-N 3.15Å; L340-M342 PolarHBondContact O-N 2.97Å; L340-M342 VanDerWaalsContact O-N 3.11Å; M342-G344 PolarHBondContact O-N 2.83Å
343	S	89.7	Confident	95.1	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.07	15%	0.15	C	C	.	.			trans	-65	104.6	164.4	-169.4	0	0	0	0	109.2	G278 S282 A338 R341 D345	G278-S343 WeakPolarHBondContact O-CB 3.47Å; G278-S343 PolarHBondContact O-OG 3.16Å; S282-S343 WeakPolarHBondContact OG-CB 3.31Å; A338-S343 WeakPolarHBondContact O-CB 3.27Å; A338-S343 PolarHBondContact O-N 3.2Å; R341-S343 VanDerWaalsContact C-N 3.31Å; R341-S343 PolarHBondContact O-N 2.8Å; S343-D345 PolarHBondContact O-N 2.98Å
344	G	89.5	Confident	95	Very high	25 Å²	25	25 Å²	25	26%	0.258	13%	0.132	S	C	.	.			trans	-76.7	-3.7	174.8	0	0	0	0	0	113.3	E51 R52 M342	E51-G344 PolarHBondContact N-O 3.44Å; E51-G344 VanDerWaalsContact N-O 3.17Å; R52-G344 WeakPolarHBondContact CG-O 3.33Å; R52-G344 PolarHBondContact N-O 2.97Å; M342-G344 PolarHBondContact O-N 2.83Å
345	D	94.4	Very high	94.5	Very high	20 Å²	20	25.4 Å²	25.4	11%	0.107	13%	0.134	C	C	.	.	S	Bend	trans	-87.9	172.9	-175.7	-134.3	-26.9	0	0	0	113.8	G50 R52 K281 S343	G50-D345 VanDerWaalsContact CA-O 3.31Å; G50-D345 WeakPolarHBondContact CA-O 3.3Å; R52-D345 WeakPolarHBondContact CG-OD1 3.4Å; R52-D345 IonicContact CZ-OD1 2.77Å; R52-D345 IonicContact CZ-OD2 2.7Å; R52-D345 IonicContact NE-OD1 3.01Å; R52-D345 PolarHBondContact NE-OD1 2.96Å; R52-D345 IonicContact NE-OD2 3.18Å; R52-D345 IonicContact NH2-OD1 3.29Å; R52-D345 PolarHBondContact NH2-OD1 3Å; R52-D345 IonicContact NH2-OD2 3.1Å; R52-D345 PolarHBondContact NH2-OD2 3.37Å; K281-D345 IonicContact NZ-OD2 3.51Å; S343-D345 PolarHBondContact O-N 2.98Å
346	N	97.2	Very high	93.9	Very high	3 Å²	3	27 Å²	27	2%	0.016	14%	0.144	C	C	.	.			trans	-64.4	141.2	159.4	-59.8	162.4	0	0	0	109.4	R48 K49 E54 M55 Q56 D57 C276	R48-N346 CarbonylContact O-C 3.6Å; R48-N346 WeakPolarHBondContact O-CA 3.36Å; K49-N346 WeakPolarHBondContact CA-ND2 3.39Å; K49-N346 PolarHBondContact O-ND2 2.9Å; E54-N346 PolarHBondContact O-ND2 3.46Å; E54-N346 PolarHBondContact O-OD1 2.93Å; M55-N346 WeakPolarHBondContact CA-OD1 3.39Å; M55-N346 HydrophobicContact SD-CB 3.81Å; M55-N346 VanDerWaalsContact SD-CG 3.6Å; Q56-N346 PolarHBondContact N-OD1 2.94Å; D57-N346 HydrophobicContact CB-CB 4.35Å; C276-N346 PolarHBondContact SG-O 2.64Å; C276-N346 VanDerWaalsContact SG-O 3.4Å
347	V	97.7	Very high	93.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.2	-178.8	-173.1	0	0	0	0	108.3	A47 R48 L279 V335 A338 V339	A47-V347 CarbonylContact C-O 3.53Å; A47-V347 WeakPolarHBondContact CA-O 3.5Å; R48-V347 PolarHBondContact N-O 2.99Å; R48-V347 PolarHBondContact O-N 3.44Å; L279-V347 HydrophobicContact CB-CG1 4.07Å; L279-V347 HydrophobicContact CD1-CG1 4.11Å; V335-V347 HydrophobicContact CB-CG1 4.31Å; V335-V347 HydrophobicContact CG1-CB 4.02Å; V335-V347 HydrophobicContact CG1-CG1 3.87Å; V335-V347 HydrophobicContact CG2-CG1 4.22Å; A338-V347 HydrophobicContact CB-CG1 3.89Å; A338-V347 HydrophobicContact CB-CG2 4.28Å; V339-V347 HydrophobicContact CG2-CG2 4.08Å
348	T	98.4	Very high	92.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.3	176.7	-55.9	0	0	0	0	109.7	V46 A47 D57 H59 I85 A275 C276	V46-T348 CarbonylContact O-C 3.57Å; V46-T348 WeakPolarHBondContact O-CA 3.4Å; A47-T348 HydrophobicContact CB-CG2 3.94Å; D57-T348 VanDerWaalsContact CB-OG1 3.24Å; D57-T348 WeakPolarHBondContact CB-OG1 3.33Å; D57-T348 VanDerWaalsContact OD2-CB 3.32Å; D57-T348 WeakPolarHBondContact OD2-CB 3.38Å; D57-T348 PolarHBondContact OD2-OG1 3.34Å; H59-T348 HydrophobicContact CB-CG2 3.99Å; I85-T348 HydrophobicContact CD1-CG2 3.82Å; I85-T348 WeakPolarHBondContact CD1-O 3.31Å; I85-T348 HydrophobicContact CG1-CG2 4.02Å; I85-T348 HydrophobicContact CG2-CG2 4.37Å; A275-T348 VanDerWaalsContact CA-O 3.22Å; A275-T348 WeakPolarHBondContact CA-O 3.49Å; A275-T348 VanDerWaalsContact CB-O 3.31Å; A275-T348 WeakPolarHBondContact CB-O 3.42Å; C276-T348 PolarHBondContact N-O 3.19Å; C276-T348 VanDerWaalsContact N-O 3.14Å; C276-T348 PolarHBondContact SG-N 3.19Å
349	C	98.5	Very high	92.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.2	179.2	-175.8	0	0	0	0	110.5	V45 V46 I274 A275 L279 C331 V335	V45-C349 WeakPolarHBondContact CA-O 3.48Å; V46-C349 PolarHBondContact N-O 3.14Å; V46-C349 PolarHBondContact O-N 3.26Å; I274-C349 CarbonylContact O-C 3.55Å; I274-C349 VanDerWaalsContact O-CA 3.32Å; I274-C349 WeakPolarHBondContact O-CA 3.28Å; A275-C349 HydrophobicContact CB-CB 4.19Å; L279-C349 HydrophobicContact CD2-CB 4.5Å; C331-C349 PolarHBondContact SG-O 3.39Å; V335-C349 HydrophobicContact CG2-CB 3.67Å
350	I	98.7	Very high	91.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.4	165.6	-57.7	173.7	0	0	0	106.9	C43 S44 V45 V61 F83 I85 L273 I274 L352	C43-I350 VanDerWaalsContact SG-CG2 3.55Å; S44-I350 CarbonylContact O-C 3.52Å; S44-I350 WeakPolarHBondContact O-CA 3.45Å; V45-I350 HydrophobicContact CB-CG1 4.29Å; V45-I350 HydrophobicContact CG1-CG1 3.68Å; V45-I350 HydrophobicContact CG2-CB 4.36Å; V45-I350 HydrophobicContact CG2-CG1 3.81Å; V45-I350 HydrophobicContact CG2-CG2 4.13Å; V61-I350 HydrophobicContact CG2-CD1 4.27Å; V61-I350 HydrophobicContact CG2-CG2 4.45Å; F83-I350 HydrophobicContact CB-CD1 4.4Å; I85-I350 HydrophobicContact CD1-CD1 4.34Å; I85-I350 HydrophobicContact CD1-CG1 3.99Å; I85-I350 HydrophobicContact CG1-CD1 3.78Å; I85-I350 HydrophobicContact CG1-CG1 3.94Å; L273-I350 WeakPolarHBondContact CA-O 3.19Å; I274-I350 HydrophobicContact CB-CB 4.1Å; I274-I350 HydrophobicContact CD1-CB 4.36Å; I274-I350 HydrophobicContact CD1-CD1 4.26Å; I274-I350 HydrophobicContact CD1-CG2 4.44Å; I274-I350 HydrophobicContact CG1-CB 4.39Å; I274-I350 PolarHBondContact N-O 3.26Å; I274-I350 PolarHBondContact O-N 2.82Å; I350-L352 HydrophobicContact CG2-CD1 3.58Å; I350-L352 HydrophobicContact CG2-CG 4.38Å
351	L	98.6	Very high	90.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.9	173.2	170.1	61.2	0	0	0	109.1	C43 S44 F271 L273 T292 L327 V330 C331 V353	C43-L351 CarbonylContact C-O 3.52Å; C43-L351 VanDerWaalsContact CA-O 3.31Å; C43-L351 WeakPolarHBondContact CA-O 3.46Å; S44-L351 PolarHBondContact N-O 3.36Å; S44-L351 PolarHBondContact O-N 3.15Å; F271-L351 HydrophobicContact CB-CD1 4.11Å; F271-L351 HydrophobicContact CD2-CD1 4.11Å; F271-L351 HydrophobicContact CG-CD1 4.34Å; L273-L351 HydrophobicContact CD2-CB 4.29Å; L273-L351 HydrophobicContact CD2-CD1 3.73Å; T292-L351 HydrophobicContact CG2-CD1 3.84Å; T292-L351 HydrophobicContact CG2-CD2 4.37Å; L327-L351 HydrophobicContact CG-CD2 4.34Å; V330-L351 HydrophobicContact CB-CD2 4.07Å; V330-L351 HydrophobicContact CG1-CD2 3.74Å; C331-L351 HydrophobicContact CB-CB 4.19Å; C331-L351 HydrophobicContact CB-CD2 4.3Å; L351-V353 HydrophobicContact CD1-CG2 3.87Å; L351-V353 HydrophobicContact CD2-CG2 4.19Å; L351-V353 HydrophobicContact CG-CG2 3.9Å
352	L	98	Very high	89.2	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.2	169.7	-59.1	85.2	0	0	0	109.4	Y41 L42 C43 F83 F271 L272 I274 I350	Y41-L352 HydrophobicContact CD2-CD2 4.38Å; L42-L352 CarbonylContact O-C 3.56Å; L42-L352 VanDerWaalsContact O-CA 3.29Å; L42-L352 WeakPolarHBondContact O-CA 3.23Å; C43-L352 HydrophobicContact CB-CG 4.41Å; F83-L352 HydrophobicContact CD1-CD1 4.4Å; F83-L352 HydrophobicContact CD1-CD2 3.84Å; F83-L352 HydrophobicContact CD1-CG 4.34Å; F83-L352 HydrophobicContact CD2-CD2 3.92Å; F83-L352 HydrophobicContact CE1-CD2 3.53Å; F83-L352 HydrophobicContact CE1-CG 4.25Å; F83-L352 HydrophobicContact CE2-CD2 3.61Å; F83-L352 HydrophobicContact CG-CD1 4.5Å; F83-L352 HydrophobicContact CG-CD2 4.04Å; F83-L352 HydrophobicContact CZ-CD2 3.42Å; F83-L352 VanDerWaalsContact CZ-CD2 3.42Å; F271-L352 CarbonylContact C-O 3.59Å; F271-L352 WeakPolarHBondContact CA-O 3.49Å; F271-L352 WeakPolarHBondContact CB-O 3.45Å; L272-L352 HydrophobicContact CB-CB 4.23Å; L272-L352 HydrophobicContact CB-CD1 4.22Å; L272-L352 PolarHBondContact N-O 2.85Å; L272-L352 PolarHBondContact O-N 3.42Å; I274-L352 HydrophobicContact CD1-CD1 4.19Å; I274-L352 HydrophobicContact CG1-CD1 4.37Å; I350-L352 HydrophobicContact CG2-CD1 3.58Å; I350-L352 HydrophobicContact CG2-CG 4.38Å
353	V	96.8	Very high	88	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.3	177.3	-177.9	0	0	0	0	109.7	Y41 L42 F271 L296 L322 L327 L351 P355 F358	Y41-V353 CarbonylContact C-O 3.56Å; Y41-V353 WeakPolarHBondContact CA-O 3.31Å; L42-V353 PolarHBondContact N-O 2.88Å; L42-V353 PolarHBondContact O-N 3.17Å; F271-V353 HydrophobicContact CB-CB 4.38Å; F271-V353 HydrophobicContact CB-CG2 4.02Å; L296-V353 HydrophobicContact CD1-CG2 4.09Å; L296-V353 HydrophobicContact CD2-CG2 4.09Å; L322-V353 HydrophobicContact CD1-CG1 4.24Å; L327-V353 HydrophobicContact CD1-CB 4.17Å; L327-V353 HydrophobicContact CD1-CG2 3.91Å; L327-V353 HydrophobicContact CD2-CB 3.97Å; L327-V353 HydrophobicContact CD2-CG2 3.72Å; L327-V353 HydrophobicContact CG-CB 4.3Å; L327-V353 HydrophobicContact CG-CG2 3.72Å; L351-V353 HydrophobicContact CD1-CG2 3.87Å; L351-V353 HydrophobicContact CD2-CG2 4.19Å; L351-V353 HydrophobicContact CG-CG2 3.9Å; V353-P355 WeakPolarHBondContact O-CD 3.4Å; V353-F358 HydrophobicContact CG1-CB 4.35Å
354	F	94.5	Very high	86.1	Confident	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.123	C	C	.	.			trans	-99.1	83.8	172.1	-53.9	-63.3	0	0	0	109.2	I39 L176 L265 D269 Q270 L272 T356 M357 F358	I39-F354 HydrophobicContact CG2-CB 4.14Å; I39-F354 HydrophobicContact CG2-CD1 3.68Å; I39-F354 HydrophobicContact CG2-CE1 4.43Å; I39-F354 HydrophobicContact CG2-CG 4.1Å; L176-F354 HydrophobicContact CD1-CE2 4.42Å; L265-F354 HydrophobicContact CD1-CE1 3.67Å; L265-F354 HydrophobicContact CD1-CE2 4.49Å; L265-F354 HydrophobicContact CD1-CZ 3.63Å; L265-F354 HydrophobicContact CD2-CE1 4.37Å; L265-F354 HydrophobicContact CD2-CE2 3.71Å; L265-F354 HydrophobicContact CD2-CZ 3.51Å; L265-F354 HydrophobicContact CG-CZ 4.24Å; D269-F354 HydrophobicContact CB-CD2 3.93Å; D269-F354 HydrophobicContact CB-CE2 4Å; Q270-F354 PolarHBondContact O-N 2.66Å; L272-F354 HydrophobicContact CD1-CE2 4.17Å; L272-F354 HydrophobicContact CD1-CZ 3.71Å; L272-F354 HydrophobicContact CG-CE2 4.34Å; L272-F354 HydrophobicContact CG-CZ 4.37Å; F354-T356 VanDerWaalsContact C-N 3.3Å; F354-T356 PolarHBondContact O-N 3.22Å; F354-M357 HydrophobicContact CB-CB 4.21Å; F354-M357 HydrophobicContact CB-CG 4.37Å; F354-M357 PolarHBondContact O-N 3.1Å; F354-F358 PolarHBondContact O-N 3.26Å
355	P	88.2	Confident	83.8	Confident	8 Å²	8	25.4 Å²	25.4	5%	0.052	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-37	-163.8	24.2	-35.9	0	0	0	113.2	L42 L322 V353 M357 F358 V359	L42-P355 HydrophobicContact CD1-CG 4.39Å; L42-P355 HydrophobicContact CG-CG 4.3Å; L322-P355 HydrophobicContact CB-CB 4.43Å; V353-P355 WeakPolarHBondContact O-CD 3.4Å; P355-M357 VanDerWaalsContact C-N 3.32Å; P355-M357 PolarHBondContact O-N 2.78Å; P355-F358 PolarHBondContact O-N 3.49Å; P355-V359 WeakPolarHBondContact O-CB 3.35Å; P355-V359 WeakPolarHBondContact O-CG2 3.33Å; P355-V359 PolarHBondContact O-N 3.01Å
356	T	84.5	Confident	81	Confident	34 Å²	34	28.6 Å²	28.6	21%	0.209	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-38.9	177.8	54	0	0	0	0	111.7	P40 Y318 F354 K360	P40-T356 HydrophobicContact CG-CG2 4.1Å; Y318-T356 HydrophobicContact CD2-CG2 4.12Å; F354-T356 VanDerWaalsContact C-N 3.3Å; F354-T356 PolarHBondContact O-N 3.22Å; T356-K360 WeakPolarHBondContact O-CB 3.49Å; T356-K360 PolarHBondContact O-N 2.79Å
357	M	84.9	Confident	77.7	Confident	30 Å²	30	34.1 Å²	34.1	15%	0.148	18%	0.184	C	C	.	.	H	α-helix	trans	-77.2	-41.8	179.2	-62	-53.6	118.5	0	0	111.2	D267 D269 F354 P355 R361	D267-M357 VanDerWaalsContact CA-SD 3.52Å; D267-M357 HydrophobicContact CB-SD 3.74Å; D269-M357 VanDerWaalsContact O-CB 3.25Å; D269-M357 WeakPolarHBondContact O-CB 3.43Å; F354-M357 HydrophobicContact CB-CB 4.21Å; F354-M357 HydrophobicContact CB-CG 4.37Å; F354-M357 PolarHBondContact O-N 3.1Å; P355-M357 VanDerWaalsContact C-N 3.32Å; P355-M357 PolarHBondContact O-N 2.78Å; M357-R361 PolarHBondContact O-N 3.11Å
358	F	83.9	Confident	74.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-56.7	177.3	-165.1	-85.3	0	0	0	112	Q270 F271 H293 L296 M297 I300 L322 V353 F354 P355 H362	Q270-F358 HydrophobicContact CB-CD2 3.97Å; Q270-F358 VanDerWaalsContact OE1-CA 3.29Å; F271-F358 HydrophobicContact CD1-CD2 4.31Å; F271-F358 HydrophobicContact CD1-CE2 4.13Å; F271-F358 HydrophobicContact CE1-CE2 4.26Å; H293-F358 AromaticContact CD2-CE2 3.77Å; H293-F358 AromaticContact CD2-CZ 3.81Å; L296-F358 HydrophobicContact CB-CE1 3.88Å; L296-F358 HydrophobicContact CB-CE2 4.1Å; L296-F358 HydrophobicContact CB-CZ 3.45Å; L296-F358 VanDerWaalsContact CB-CZ 3.45Å; L296-F358 HydrophobicContact CD1-CD2 4.21Å; L296-F358 HydrophobicContact CD1-CE2 3.63Å; L296-F358 HydrophobicContact CD1-CZ 3.9Å; L296-F358 HydrophobicContact CG-CZ 4.31Å; M297-F358 HydrophobicContact CG-CZ 4.25Å; M297-F358 HydrophobicContact SD-CE1 3.87Å; M297-F358 HydrophobicContact SD-CZ 4.11Å; I300-F358 HydrophobicContact CD1-CD1 3.76Å; I300-F358 HydrophobicContact CD1-CE1 3.56Å; L322-F358 HydrophobicContact CD1-CD1 3.72Å; L322-F358 HydrophobicContact CD1-CE1 4.29Å; L322-F358 HydrophobicContact CD1-CG 4.24Å; V353-F358 HydrophobicContact CG1-CB 4.35Å; F354-F358 PolarHBondContact O-N 3.26Å; P355-F358 PolarHBondContact O-N 3.49Å; F358-H362 AromaticContact CD1-CD2 3.97Å; F358-H362 AromaticContact CE1-CD2 3.79Å; F358-H362 AromaticContact CZ-CD2 3.97Å; F358-H362 PolarHBondContact O-CD2 3.47Å; F358-H362 PolarHBondContact O-N 3.05Å
359	V	78.4	Confident	71.3	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-76.4	-34.8	-172	-174	0	0	0	0	112.1	I300 Y318 I321 L322 P355 R361 H362 S363	I300-V359 HydrophobicContact CD1-CG2 4.04Å; Y318-V359 HydrophobicContact CD1-CB 3.38Å; Y318-V359 HydrophobicContact CD1-CG1 3.33Å; Y318-V359 HydrophobicContact CD1-CG2 4.34Å; Y318-V359 HydrophobicContact CE1-CB 3.95Å; Y318-V359 HydrophobicContact CE1-CG1 3.75Å; Y318-V359 HydrophobicContact CG-CB 4.08Å; Y318-V359 HydrophobicContact CG-CG1 4.4Å; I321-V359 HydrophobicContact CB-CG1 4.47Å; I321-V359 HydrophobicContact CB-CG2 4.44Å; I321-V359 HydrophobicContact CD1-CG1 3.75Å; I321-V359 HydrophobicContact CG2-CG1 4.09Å; I321-V359 HydrophobicContact CG2-CG2 4.04Å; L322-V359 HydrophobicContact CD1-CG2 4Å; L322-V359 HydrophobicContact CG-CG2 4.29Å; P355-V359 WeakPolarHBondContact O-CB 3.35Å; P355-V359 WeakPolarHBondContact O-CG2 3.33Å; P355-V359 PolarHBondContact O-N 3.01Å; V359-R361 VanDerWaalsContact C-N 3.33Å; V359-R361 PolarHBondContact O-N 3.18Å; V359-H362 PolarHBondContact O-N 3.04Å; V359-S363 VanDerWaalsContact O-CB 3.32Å; V359-S363 WeakPolarHBondContact O-CB 3.3Å; V359-S363 PolarHBondContact O-N 3.29Å; V359-S363 PolarHBondContact O-OG 3.18Å
360	K	73.5	Confident	68	Low	111 Å²	111	49.3 Å²	49.3	48%	0.483	29%	0.285	S	S	.	.	H	α-helix	trans	-59.1	-44.5	178.2	-176.7	174	-179.7	176.4	0	111.6	Y318 T356	Y318-K360 HydrophobicContact CE1-CB 4.42Å; Y318-K360 HydrophobicContact CE2-CB 4.42Å; T356-K360 WeakPolarHBondContact O-CB 3.49Å; T356-K360 PolarHBondContact O-N 2.79Å
361	R	70.8	Confident	64.6	Low	92 Å²	92	54.8 Å²	54.8	35%	0.347	32%	0.324	S	S	.	.	H	α-helix	trans	-70.6	-34.5	178.8	-73.9	-79.9	179.2	109.1	2.7	113	L179 N268 M357 V359 T364	L179-R361 HydrophobicContact CD1-CB 3.91Å; L179-R361 HydrophobicContact CD1-CG 3.73Å; N268-R361 PolarHBondContact OD1-NH1 3.49Å; N268-R361 PolarHBondContact OD1-NH2 2.84Å; M357-R361 PolarHBondContact O-N 3.11Å; V359-R361 VanDerWaalsContact C-N 3.33Å; V359-R361 PolarHBondContact O-N 3.18Å; R361-T364 PolarHBondContact O-OG1 2.99Å; R361-T364 VanDerWaalsContact O-OG1 3.05Å
362	H	69.2	Low	61.1	Low	15 Å²	15	61.5 Å²	61.5	7%	0.069	36%	0.358	C	S	.	.	H	α-helix	trans	-87.8	-3.4	178.7	-69.2	-57.9	0	0	0	115	H293 M297 F358 V359	H293-H362 AromaticContact CD2-NE2 3.7Å; H293-H362 AromaticContact CE1-CE1 3.85Å; H293-H362 AromaticContact NE2-CD2 3.97Å; H293-H362 AromaticContact NE2-CE1 3.1Å; H293-H362 PolarHBondContact NE2-CE1 2.94Å; H293-H362 AromaticContact NE2-NE2 2.94Å; H293-H362 PolarHBondContact NE2-NE2 3.17Å; M297-H362 HydrophobicContact CE-CB 4.09Å; M297-H362 HydrophobicContact SD-CB 3.93Å; M297-H362 VanDerWaalsContact SD-CG 3.6Å; F358-H362 AromaticContact CD1-CD2 3.97Å; F358-H362 AromaticContact CE1-CD2 3.79Å; F358-H362 AromaticContact CZ-CD2 3.97Å; F358-H362 PolarHBondContact O-CD2 3.47Å; F358-H362 PolarHBondContact O-N 3.05Å; V359-H362 PolarHBondContact O-N 3.04Å
363	S	62	Low	57.7	Low	46 Å²	46	69.3 Å²	69.3	32%	0.322	40%	0.398	S	S	.	.	H	α-helix	trans	-88.3	-22.8	174.2	-61.1	0	0	0	0	113.1	V359	V359-S363 VanDerWaalsContact O-CB 3.32Å; V359-S363 WeakPolarHBondContact O-CB 3.3Å; V359-S363 PolarHBondContact O-N 3.29Å; V359-S363 PolarHBondContact O-OG 3.18Å
364	T	50.5	Low	54.3	Low	92 Å²	92	77.2 Å²	77.2	56%	0.564	44%	0.435	S	S	*	.	H	α-helix	trans	-81.4	-23.6	178.7	49.1	0	0	0	0	113.8	R361 L366	R361-T364 PolarHBondContact O-OG1 2.99Å; R361-T364 VanDerWaalsContact O-OG1 3.05Å; T364-L366 PolarHBondContact O-N 3.35Å
365	D	40.7	Very low	51.2	Low	80 Å²	80	82.1 Å²	82.1	43%	0.428	47%	0.47	S	S	.	.	S	Bend	trans	-91.1	10.3	-172.9	-66.7	-16.3	0	0	0	114.5
366	L	37.1	Very low	48.7	Very low	87 Å²	87	87.7 Å²	87.7	46%	0.455	50%	0.495	S	S	.	.	S	Bend	trans	-83.8	129.2	173.7	-82.3	151.4	0	0	0	110	T364 G368	T364-L366 PolarHBondContact O-N 3.35Å; L366-G368 PolarHBondContact O-N 3.5Å
367	P	26.7	Very low	46.1	Very low	119 Å²	119	92.8 Å²	92.8	77%	0.773	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	115.8	-176.4	21.7	-29.6	0	0	0	110.3
368	G	30.9	Very low	43.6	Very low	71 Å²	71	96.5 Å²	96.5	73%	0.732	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.5	-5.1	171.7	0	0	0	0	0	117.5	L366	L366-G368 PolarHBondContact O-N 3.5Å
369	H	31.3	Very low	41	Very low	140 Å²	140	104.3 Å²	104.3	65%	0.648	59%	0.591	S	S	*	*			trans	-121	103.6	-176.9	-75.8	-67.9	0	0	0	113.3
370	S	28.5	Very low	38.7	Very low	107 Å²	107	112.8 Å²	112.8	75%	0.748	63%	0.63	S	S	*	*			trans	-66.5	139.5	167.6	42.7	0	0	0	0	111.2	I372	S370-I372 PolarHBondContact O-N 2.88Å; S370-I372 VanDerWaalsContact O-N 3.14Å
371	S	27.2	Very low	36.7	Very low	115 Å²	115	113.4 Å²	113.4	80%	0.804	65%	0.646	S	S	*	*			trans	-57.9	107	178.8	40.8	0	0	0	0	112.3
372	I	26.3	Very low	34.7	Very low	141 Å²	141	115 Å²	115	72%	0.723	67%	0.671	S	S	*	*			trans	-109.6	103.5	157.9	-59.4	179.4	0	0	0	106.4	S370 Q374	S370-I372 PolarHBondContact O-N 2.88Å; S370-I372 VanDerWaalsContact O-N 3.14Å; I372-Q374 HydrophobicContact CG2-CG 4.22Å; I372-Q374 PolarHBondContact O-N 3.47Å; I372-Q374 VanDerWaalsContact O-N 3.12Å
373	I	25.6	Very low	32.9	Very low	165 Å²	165	119.6 Å²	119.6	85%	0.846	71%	0.705	S	S	*	*			trans	-69.6	99.7	173.4	-58.5	168.4	0	0	0	106.6
374	Q	26.8	Very low	31.5	Very low	166 Å²	166	127.3 Å²	127.3	78%	0.776	73%	0.733	S	S	*	*			trans	-100.9	127.7	163	-80.1	-172.8	-18.4	0	0	109	I372 E376	I372-Q374 HydrophobicContact CG2-CG 4.22Å; I372-Q374 PolarHBondContact O-N 3.47Å; I372-Q374 VanDerWaalsContact O-N 3.12Å; Q374-E376 PolarHBondContact O-N 3.32Å
375	S	27.9	Very low	30.7	Very low	105 Å²	105	130.7 Å²	130.7	73%	0.734	75%	0.746	S	S	*	*			trans	-59.6	115.6	176.1	46.7	0	0	0	0	110.6	D377	S375-D377 PolarHBondContact O-N 3.46Å
376	E	35.6	Very low	30.3	Very low	124 Å²	124	132.4 Å²	132.4	58%	0.579	76%	0.762	S	S	*	*			trans	-80.1	99.8	175	-73.5	-179.7	152.8	0	0	110.3	Q374	Q374-E376 PolarHBondContact O-N 3.32Å
377	D	30.9	Very low	30	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	78%	0.783	S	S	*	*			trans	-76.5	128.9	162.2	-85	-33.2	0	0	0	110.5	S375	S375-D377 PolarHBondContact O-N 3.46Å
378	S	32.7	Very low	30.5	Very low	108 Å²	108	142 Å²	142	76%	0.755	79%	0.788	S	S	*	*			trans	42	92.2	152.5	55.1	0	0	0	0	118.7
379	L	29.2	Very low	30.7	Very low	164 Å²	164	147.3 Å²	147.3	86%	0.859	79%	0.793	S	S	*	*			trans	-99.7	100.8	154.5	-79.1	162	0	0	0	108.9
380	E	29.5	Very low	31	Very low	178 Å²	178	154 Å²	154	83%	0.832	82%	0.821	S	S	*	*			trans	-70.2	143.2	167.1	-82.9	-166.2	158.9	0	0	111	S382	E380-S382 PolarHBondContact O-N 2.96Å
381	P	31.8	Very low	31.1	Very low	125 Å²	125	156.4 Å²	156.4	81%	0.812	82%	0.824	S	S	*	*			trans	-72.6	116.5	-177.6	27	-31.3	0	0	0	111.7	S383	P381-S383 PolarHBondContact O-N 3.31Å
382	S	28.1	Very low	31.4	Very low	125 Å²	125	158.5 Å²	158.5	87%	0.874	83%	0.825	S	S	*	*			trans	-89.4	101.2	171.7	60.7	0	0	0	0	111	E380	E380-S382 PolarHBondContact O-N 2.96Å
383	S	32.8	Very low	31.6	Very low	111 Å²	111	159.5 Å²	159.5	78%	0.776	83%	0.831	S	S	*	*			trans	-143.8	72.5	160.2	60.7	0	0	0	0	110.3	P381	P381-S383 PolarHBondContact O-N 3.31Å
384	K	32.5	Very low	32	Very low	209 Å²	209	159.2 Å²	159.2	91%	0.909	83%	0.83	S	S	*	*			trans	-98.8	102.1	162.4	-76.1	-175.1	179.9	173.6	0	108.5
385	L	32.3	Very low	32.3	Very low	163 Å²	163	158.8 Å²	158.8	85%	0.853	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-56.9	142.6	163.6	-81.2	157.2	0	0	0	109.9
386	P	33.7	Very low	32.6	Very low	116 Å²	116	162.3 Å²	162.3	75%	0.753	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-71.2	132	-174.5	19.5	-19.4	0	0	0	111.7	I388	P386-I388 PolarHBondContact O-N 2.91Å
387	R	30.6	Very low	32.4	Very low	236 Å²	236	165.1 Å²	165.1	89%	0.891	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-65.2	124.7	166.8	-90.3	-179.3	175.1	171.6	-1.8	108.9	E389	R387-E389 PolarHBondContact O-N 2.94Å
388	I	36.1	Very low	32.5	Very low	171 Å²	171	166.8 Å²	166.8	88%	0.877	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-69.5	117.2	164.4	-61.3	171.8	0	0	0	106.9	P386	P386-I388 PolarHBondContact O-N 2.91Å
389	E	35.8	Very low	32.5	Very low	182 Å²	182	171.8 Å²	171.8	85%	0.85	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-85.3	127.4	175.6	-74.5	-170	157.4	0	0	111.4	R387	R387-E389 PolarHBondContact O-N 2.94Å
390	K	37.6	Very low	32.8	Very low	281 Å²	281	172.5 Å²	172.5	100%	1.222	88%	0.877	S	S	*	*			trans	68.1	0	166.5	-68	-173.6	-180	176.6	0	118.9

Retrieved 390 of 390 residues in 222.3 ms (Link to these results)

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