A0A3Q0KMM5_SCHMA Loading...

Family S9 non-peptidase homologue (S09 family)

AlphaFold DB , UniProt , Accession A0A3Q0KMM5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 694 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	26.3	Very low	29.1	Very low	239 Å²	239	147.5 Å²	147.5	100%	1.177	81%	0.807	S	S	*	*				0	92.2	0	-165.6	167.5	155.8	0	0	106.9
2	L	25.3	Very low	29.6	Very low	176 Å²	176	142.8 Å²	142.8	92%	0.921	79%	0.793	S	S	*	*			trans	-75.2	124.8	177.5	-79.1	136.5	0	0	0	108.6
3	L	28.2	Very low	29.9	Very low	142 Å²	142	143.7 Å²	143.7	74%	0.743	79%	0.794	S	S	*	*			trans	-151.5	108.9	154.6	-94.5	171.3	0	0	0	108.9
4	S	25.3	Very low	30.4	Very low	102 Å²	102	146.8 Å²	146.8	71%	0.713	80%	0.796	S	S	*	*			trans	-64.7	135	165.9	52.8	0	0	0	0	110.7
5	F	28.7	Very low	30.7	Very low	172 Å²	172	144.5 Å²	144.5	75%	0.754	80%	0.795	S	S	*	*			trans	-122.7	108.2	156.9	-85.9	-80.8	0	0	0	109
6	T	27.9	Very low	31.3	Very low	128 Å²	128	144.1 Å²	144.1	79%	0.785	79%	0.79	S	S	*	*			trans	-98.7	119.8	155.7	42.1	0	0	0	0	106
7	H	34.1	Very low	31.9	Very low	156 Å²	156	144.9 Å²	144.9	72%	0.722	79%	0.791	S	S	*	*			trans	-142	117.9	161.4	-97	-56.7	0	0	0	111.4
8	L	33	Very low	32.3	Very low	147 Å²	147	144.8 Å²	144.8	77%	0.77	79%	0.787	S	S	*	*			trans	13.2	123.5	152.6	-74.4	92.5	0	0	0	119.1
9	S	25.3	Very low	32.8	Very low	109 Å²	109	143.9 Å²	143.9	76%	0.762	78%	0.781	S	S	*	*			trans	-52.3	129.9	154.4	33.4	0	0	0	0	113.4
10	V	34.7	Very low	33	Very low	129 Å²	129	142.4 Å²	142.4	78%	0.782	78%	0.778	S	S	*	*			trans	-125.8	108.6	151.9	179.8	0	0	0	0	106.5
11	V	31.3	Very low	33.1	Very low	123 Å²	123	141.1 Å²	141.1	75%	0.745	78%	0.775	S	S	*	*			trans	-84.9	107.8	173.4	175.1	0	0	0	0	107.3
12	S	34.9	Very low	33.3	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	76%	0.758	S	S	*	*			trans	-102.6	106.1	165.7	-66.2	0	0	0	0	108.5	F14	S12-F14 PolarHBondContact O-N 2.67Å
13	L	33.3	Very low	33.6	Very low	154 Å²	154	133.7 Å²	133.7	81%	0.806	75%	0.75	S	S	*	*			trans	-65.4	105.3	170.8	-85.7	130.2	0	0	0	109.7
14	F	37.9	Very low	33.6	Very low	187 Å²	187	135.9 Å²	135.9	82%	0.82	75%	0.754	S	S	*	*			trans	-103	109.9	156.2	-91.8	-85.7	0	0	0	108.4	S12 I16	S12-F14 PolarHBondContact O-N 2.67Å; F14-I16 PolarHBondContact O-N 3.37Å
15	S	34.9	Very low	34	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	75%	0.751	S	S	*	*			trans	-66.8	95.7	170.4	-57.5	0	0	0	0	109.4
16	I	40.5	Very low	34.7	Very low	139 Å²	139	132.8 Å²	132.8	71%	0.713	74%	0.744	S	S	*	*			trans	-86	116.2	165.6	-64.2	176.4	0	0	0	107.1	F14 I18	F14-I16 PolarHBondContact O-N 3.37Å; I16-I18 HydrophobicContact CG2-CG1 4.16Å; I16-I18 PolarHBondContact O-N 3.19Å
17	I	40.6	Very low	35.7	Very low	157 Å²	157	132.4 Å²	132.4	81%	0.805	74%	0.742	S	S	*	*			trans	-66.5	98.2	170.1	-61.7	175.6	0	0	0	107	I19	I17-I19 PolarHBondContact O-N 3.42Å
18	I	39.3	Very low	37.1	Very low	143 Å²	143	128.9 Å²	128.9	73%	0.733	73%	0.728	S	S	*	*			trans	-84.7	104.8	171.1	-59.7	176.3	0	0	0	106.9	I16	I16-I18 HydrophobicContact CG2-CG1 4.16Å; I16-I18 PolarHBondContact O-N 3.19Å
19	I	41.2	Very low	39.2	Very low	129 Å²	129	129 Å²	129	66%	0.662	72%	0.723	S	S	*	*			trans	-61.7	124	164.6	-59.8	171.2	0	0	0	106.3	I17 T21	I17-I19 PolarHBondContact O-N 3.42Å; I19-T21 VanDerWaalsContact C-N 3.34Å; I19-T21 PolarHBondContact O-N 3.02Å
20	P	36.3	Very low	42.1	Very low	112 Å²	112	128.6 Å²	128.6	73%	0.727	72%	0.717	S	S	*	*			trans	-69.8	96.1	176.1	28	-30	0	0	0	107.8	T22	P20-T22 PolarHBondContact O-N 3.02Å; P20-T22 VanDerWaalsContact O-N 3.12Å
21	T	35.2	Very low	44.9	Very low	116 Å²	116	124.3 Å²	124.3	71%	0.712	69%	0.689	S	S	*	*			trans	-67.1	106.3	156.6	42.5	0	0	0	0	105.9	I19 V23	I19-T21 VanDerWaalsContact C-N 3.34Å; I19-T21 PolarHBondContact O-N 3.02Å; T21-V23 PolarHBondContact O-N 2.86Å
22	T	31.3	Very low	47.9	Very low	134 Å²	134	122.6 Å²	122.6	82%	0.822	67%	0.674	S	S	*	*			trans	-58.5	91.4	165.7	37.9	0	0	0	0	108.2	P20 K24	P20-T22 PolarHBondContact O-N 3.02Å; P20-T22 VanDerWaalsContact O-N 3.12Å; T22-K24 PolarHBondContact O-N 2.78Å; T22-K24 VanDerWaalsContact O-N 3.15Å
23	V	32.4	Very low	50.8	Low	125 Å²	125	119.5 Å²	119.5	76%	0.758	65%	0.65	S	S	*	*			trans	-65.8	109.2	162.5	178.6	0	0	0	0	105.1	T21 S25	T21-V23 PolarHBondContact O-N 2.86Å; V23-S25 VanDerWaalsContact C-N 3.32Å; V23-S25 PolarHBondContact O-N 3.12Å
24	K	28.5	Very low	53.8	Low	189 Å²	189	115.5 Å²	115.5	82%	0.822	63%	0.633	S	S	*	*			trans	-56	104.2	164.2	-82.9	-177.7	176.2	177.6	0	106.5	T22 N26	T22-K24 PolarHBondContact O-N 2.78Å; T22-K24 VanDerWaalsContact O-N 3.15Å; K24-N26 VanDerWaalsContact C-N 3.33Å; K24-N26 PolarHBondContact O-N 2.83Å
25	S	33.2	Very low	56.6	Low	93 Å²	93	107 Å²	107	65%	0.65	60%	0.595	S	S	*	*			trans	-58.2	103.4	162.3	170.7	0	0	0	0	106	V23 T27	V23-S25 VanDerWaalsContact C-N 3.32Å; V23-S25 PolarHBondContact O-N 3.12Å; S25-T27 PolarHBondContact O-N 2.86Å
26	N	43.7	Very low	59.5	Low	115 Å²	115	105.4 Å²	105.4	62%	0.615	58%	0.582	S	S	*	*			trans	-65.2	86.8	163.6	-87.9	-9.8	0	0	0	106	K24 L28	K24-N26 VanDerWaalsContact C-N 3.33Å; K24-N26 PolarHBondContact O-N 2.83Å; N26-L28 VanDerWaalsContact C-N 3.29Å; N26-L28 PolarHBondContact O-N 2.65Å
27	T	47.9	Very low	62.1	Low	120 Å²	120	102.2 Å²	102.2	74%	0.736	56%	0.563	S	S	*	*			trans	-61	96.8	168.7	41.1	0	0	0	0	107.4	S25 K29	S25-T27 PolarHBondContact O-N 2.86Å; T27-K29 PolarHBondContact O-N 3.36Å
28	L	63.2	Low	64.7	Low	83 Å²	83	97.8 Å²	97.8	44%	0.435	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-60.6	126	176	-53.2	172.8	0	0	0	107.4	N26 P30 K44 E45	N26-L28 VanDerWaalsContact C-N 3.29Å; N26-L28 PolarHBondContact O-N 2.65Å; L28-P30 WeakPolarHBondContact O-CD 3.09Å; L28-K44 HydrophobicContact CB-CB 4.17Å; L28-K44 HydrophobicContact CD1-CB 4.08Å; L28-K44 HydrophobicContact CD1-CD 3.87Å; L28-K44 HydrophobicContact CD1-CG 4.23Å; L28-E45 WeakPolarHBondContact CB-O 3.36Å; L28-E45 WeakPolarHBondContact CD2-O 3.43Å; L28-E45 WeakPolarHBondContact CG-O 3.49Å
29	K	77.4	Confident	67.4	Low	149 Å²	149	91 Å²	91	65%	0.648	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-66.1	126.3	177.9	-75.9	-176.7	176.3	-176.8	0	108.4	T27 E45	T27-K29 PolarHBondContact O-N 3.36Å; K29-E45 PolarHBondContact O-N 3.48Å
30	P	87.1	Confident	70.1	Confident	101 Å²	101	85.7 Å²	85.7	66%	0.656	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.1	172.9	27.2	-32.9	0	0	0	109.4	L28 I42	L28-P30 WeakPolarHBondContact O-CD 3.09Å; P30-I42 HydrophobicContact CB-CG2 3.79Å
31	I	92.2	Very high	73.1	Confident	38 Å²	38	80.3 Å²	80.3	20%	0.195	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.5	-179.8	-57.9	175.2	0	0	0	108	I42 G43 E45 N58 F60	I31-I42 CarbonylContact O-C 3.59Å; I31-I42 VanDerWaalsContact O-CA 3.31Å; I31-I42 WeakPolarHBondContact O-CA 3.26Å; I31-G43 PolarHBondContact N-O 3.43Å; I31-G43 VanDerWaalsContact N-O 3.15Å; I31-G43 PolarHBondContact O-N 3.49Å; I31-E45 HydrophobicContact CD1-CB 4.13Å; I31-N58 HydrophobicContact CD1-CB 3.69Å; I31-N58 WeakPolarHBondContact CD1-OD1 3.34Å; I31-F60 HydrophobicContact CB-CZ 4.19Å; I31-F60 HydrophobicContact CG2-CE1 4.39Å; I31-F60 HydrophobicContact CG2-CZ 3.81Å
32	E	95.2	Very high	76.1	Confident	88 Å²	88	76.1 Å²	76.1	41%	0.411	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.6	-178.3	-175.1	165.4	-175.2	0	0	110.6	V41 I42 K87	E32-V41 WeakPolarHBondContact CA-O 3.38Å; E32-I42 HydrophobicContact CB-CD1 3.51Å; E32-I42 HydrophobicContact CG-CD1 3.53Å; E32-K87 WeakPolarHBondContact OE1-CE 3.14Å; E32-K87 IonicContact OE1-NZ 3.37Å; E32-K87 PolarHBondContact OE1-NZ 2.91Å; E32-K87 WeakPolarHBondContact OE2-CE 3.48Å; E32-K87 IonicContact OE2-NZ 2.67Å; E32-K87 PolarHBondContact OE2-NZ 2.87Å
33	I	95.1	Very high	79.2	Confident	26 Å²	26	69.8 Å²	69.8	13%	0.133	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.7	174.3	-58.6	-79.7	0	0	0	108.1	S40 V41 F60 Q225 F226	I33-S40 CarbonylContact O-C 3.56Å; I33-S40 VanDerWaalsContact O-CA 3.26Å; I33-S40 WeakPolarHBondContact O-CA 3.44Å; I33-S40 WeakPolarHBondContact O-CB 3.26Å; I33-V41 HydrophobicContact CB-CG2 3.91Å; I33-V41 PolarHBondContact N-O 3.4Å; I33-V41 PolarHBondContact O-N 2.84Å; I33-F60 HydrophobicContact CB-CE1 4.19Å; I33-F60 HydrophobicContact CB-CZ 4.46Å; I33-F60 HydrophobicContact CD1-CZ 4.02Å; I33-F60 HydrophobicContact CG1-CD1 4.4Å; I33-F60 HydrophobicContact CG1-CE1 3.4Å; I33-F60 VanDerWaalsContact CG1-CE1 3.4Å; I33-F60 HydrophobicContact CG1-CE2 4.14Å; I33-F60 HydrophobicContact CG1-CZ 3.25Å; I33-Q225 HydrophobicContact CG2-CB 3.69Å; I33-Q225 WeakPolarHBondContact CG2-O 3.37Å; I33-F226 HydrophobicContact CB-CE1 4.17Å; I33-F226 HydrophobicContact CB-CZ 4.35Å; I33-F226 HydrophobicContact CG1-CD1 4.13Å; I33-F226 HydrophobicContact CG1-CE1 4.08Å; I33-F226 HydrophobicContact CG2-CD1 4.21Å; I33-F226 HydrophobicContact CG2-CD2 4.18Å; I33-F226 HydrophobicContact CG2-CE1 4.04Å; I33-F226 HydrophobicContact CG2-CE2 4Å; I33-F226 HydrophobicContact CG2-CG 4.29Å; I33-F226 HydrophobicContact CG2-CZ 3.94Å
34	P	96.9	Very high	82.1	Confident	69 Å²	69	66.1 Å²	66.1	45%	0.448	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.1	171.6	30.1	-33.6	0	0	0	110.9	Q225	P34-Q225 VanDerWaalsContact O-CB 3.27Å; P34-Q225 WeakPolarHBondContact O-CB 3.2Å; P34-Q225 VanDerWaalsContact O-CG 3.27Å; P34-Q225 WeakPolarHBondContact O-CG 3.38Å
35	L	97.3	Very high	85.2	Confident	8 Å²	8	58.2 Å²	58.2	4%	0.042	34%	0.335	C	S	.	.			trans	-110	161.7	176.9	-62.4	-173.7	0	0	0	111.4	H37 G38 G39 V41 W84 W218 N222 F226	L35-H37 WeakPolarHBondContact CD1-NE2 3.37Å; L35-H37 PolarHBondContact O-N 2.79Å; L35-G38 PolarHBondContact O-N 3.3Å; L35-G39 PolarHBondContact N-O 2.91Å; L35-V41 HydrophobicContact CD1-CG1 3.85Å; L35-V41 HydrophobicContact CG-CG1 4.4Å; L35-W84 HydrophobicContact CD1-CH2 3.55Å; L35-W84 HydrophobicContact CD1-CZ2 3.56Å; L35-W218 HydrophobicContact CD1-CZ2 4.2Å; L35-W218 HydrophobicContact CD2-CZ2 4.13Å; L35-N222 HydrophobicContact CD2-CB 4.19Å; L35-F226 HydrophobicContact CD2-CE2 3.61Å; L35-F226 HydrophobicContact CD2-CZ 3.87Å
36	T	95.5	Very high	88	Confident	80 Å²	80	55.4 Å²	55.4	49%	0.491	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.7	-174.2	54.8	0	0	0	0	114.7	G38 E221 N222	T36-G38 PolarHBondContact O-N 2.8Å; T36-E221 WeakPolarHBondContact CG2-O 3.49Å; T36-N222 PolarHBondContact N-OD1 3.47Å; T36-N222 VanDerWaalsContact N-OD1 3.16Å; T36-N222 PolarHBondContact OG1-OD1 3.15Å
37	H	94.8	Very high	90.2	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.329	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	5.3	176.5	67.6	73.1	0	0	0	113.8	L35 G39 W84	L35-H37 WeakPolarHBondContact CD1-NE2 3.37Å; L35-H37 PolarHBondContact O-N 2.79Å; H37-G39 PolarHBondContact CE1-N 2.91Å; H37-G39 PolarHBondContact ND1-N 3.06Å; H37-W84 AromaticContact CE1-CD2 3.51Å; H37-W84 AromaticContact CE1-CE2 3.6Å; H37-W84 AromaticContact CE1-CE3 3.71Å; H37-W84 AromaticContact CE1-CG 4Å; H37-W84 AromaticContact CE1-CZ2 3.92Å; H37-W84 AromaticContact CE1-CZ3 4Å; H37-W84 PolarHBondContact CE1-N 3.31Å; H37-W84 PolarHBondContact CE1-O 3.07Å; H37-W84 PolarHBondContact ND1-N 2.92Å; H37-W84 PolarHBondContact ND1-O 2.81Å; H37-W84 AromaticContact NE2-CD2 3.94Å; H37-W84 AromaticContact NE2-CE2 3.88Å; H37-W84 AromaticContact NE2-CE3 3.78Å; H37-W84 AromaticContact NE2-CH2 3.56Å; H37-W84 AromaticContact NE2-CZ2 3.72Å; H37-W84 AromaticContact NE2-CZ3 3.58Å
38	G	94.5	Very high	92.3	Very high	64 Å²	64	48.2 Å²	48.2	66%	0.66	27%	0.269	S	S	*	.	S	Bend	trans	86.9	1.2	175.9	0	0	0	0	0	116	L35 T36	L35-G38 PolarHBondContact O-N 3.3Å; T36-G38 PolarHBondContact O-N 2.8Å
39	G	97.2	Very high	93.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.			trans	-89.6	-177.7	166.8	0	0	0	0	0	111.7	L35 H37 W84	L35-G39 PolarHBondContact N-O 2.91Å; H37-G39 PolarHBondContact CE1-N 2.91Å; H37-G39 PolarHBondContact ND1-N 3.06Å; G39-W84 VanDerWaalsContact CA-O 3.28Å; G39-W84 WeakPolarHBondContact CA-O 3.36Å; G39-W84 PolarHBondContact N-O 3.41Å
40	S	98	Very high	94.1	Very high	18 Å²	18	42 Å²	42	13%	0.126	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.5	173.9	-51.2	0	0	0	0	111.1	I33 W84 G86 K87 Y88	I33-S40 CarbonylContact O-C 3.56Å; I33-S40 VanDerWaalsContact O-CA 3.26Å; I33-S40 WeakPolarHBondContact O-CA 3.44Å; I33-S40 WeakPolarHBondContact O-CB 3.26Å; S40-W84 PolarHBondContact O-NE1 3.23Å; S40-G86 PolarHBondContact N-O 3.08Å; S40-K87 CarbonylContact O-C 3.55Å; S40-K87 WeakPolarHBondContact O-CA 3.31Å; S40-Y88 PolarHBondContact O-N 2.84Å
41	V	97.9	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.7	170.4	-66.2	0	0	0	0	110.4	E32 I33 L35 F60 I63 W84 Y88 A90 F226	E32-V41 WeakPolarHBondContact CA-O 3.38Å; I33-V41 HydrophobicContact CB-CG2 3.91Å; I33-V41 PolarHBondContact N-O 3.4Å; I33-V41 PolarHBondContact O-N 2.84Å; L35-V41 HydrophobicContact CD1-CG1 3.85Å; L35-V41 HydrophobicContact CG-CG1 4.4Å; V41-F60 HydrophobicContact CB-CD1 4.36Å; V41-F60 HydrophobicContact CG2-CD1 3.66Å; V41-F60 HydrophobicContact CG2-CE1 4.08Å; V41-I63 HydrophobicContact CG1-CD1 4.34Å; V41-I63 HydrophobicContact CG1-CG1 4.26Å; V41-I63 HydrophobicContact CG1-CG2 4.08Å; V41-I63 HydrophobicContact CG2-CD1 4.49Å; V41-W84 HydrophobicContact CG1-CH2 4.18Å; V41-W84 HydrophobicContact CG1-CZ2 3.63Å; V41-Y88 CarbonylContact C-O 3.53Å; V41-Y88 WeakPolarHBondContact CA-O 3.45Å; V41-Y88 HydrophobicContact CG1-CD1 4.44Å; V41-A90 HydrophobicContact CB-CB 4.13Å; V41-A90 HydrophobicContact CG1-CB 4.47Å; V41-F226 HydrophobicContact CG2-CE1 4.04Å; V41-F226 HydrophobicContact CG2-CZ 3.8Å
42	I	97.9	Very high	93.7	Very high	28 Å²	28	43.8 Å²	43.8	14%	0.144	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109	173.2	-53.1	-60.4	0	0	0	108.4	P30 I31 E32 K87 Y88 A90	P30-I42 HydrophobicContact CB-CG2 3.79Å; I31-I42 CarbonylContact O-C 3.59Å; I31-I42 VanDerWaalsContact O-CA 3.31Å; I31-I42 WeakPolarHBondContact O-CA 3.26Å; E32-I42 HydrophobicContact CB-CD1 3.51Å; E32-I42 HydrophobicContact CG-CD1 3.53Å; I42-K87 HydrophobicContact CD1-CB 4.31Å; I42-K87 HydrophobicContact CD1-CD 4.02Å; I42-K87 HydrophobicContact CD1-CG 4.34Å; I42-K87 HydrophobicContact CG1-CB 3.97Å; I42-K87 HydrophobicContact CG1-CD 4.39Å; I42-Y88 PolarHBondContact N-O 3.4Å; I42-A90 CarbonylContact O-C 3.51Å; I42-A90 VanDerWaalsContact O-C 3.31Å; I42-A90 WeakPolarHBondContact O-CA 3.47Å; I42-A90 PolarHBondContact O-N 3.09Å
43	G	96.7	Very high	93.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-169	171.6	0	0	0	0	0	112.1	I31 S59 F60	I31-G43 PolarHBondContact N-O 3.43Å; I31-G43 VanDerWaalsContact N-O 3.15Å; I31-G43 PolarHBondContact O-N 3.49Å; G43-S59 CarbonylContact C-O 3.51Å; G43-S59 WeakPolarHBondContact CA-O 3.28Å; G43-F60 VanDerWaalsContact CA-CD1 3.43Å
44	K	94.4	Very high	93.2	Very high	47 Å²	47	52.1 Å²	52.1	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.8	178.3	63.1	-168.3	-171.5	-167	0	111.2	L28 E46 N58 S59 T91	L28-K44 HydrophobicContact CB-CB 4.17Å; L28-K44 HydrophobicContact CD1-CB 4.08Å; L28-K44 HydrophobicContact CD1-CD 3.87Å; L28-K44 HydrophobicContact CD1-CG 4.23Å; K44-E46 WeakPolarHBondContact CE-OE1 3.41Å; K44-E46 HydrophobicContact CG-CG 4.2Å; K44-E46 IonicContact NZ-OE1 2.66Å; K44-N58 WeakPolarHBondContact O-CA 2.95Å; K44-S59 WeakPolarHBondContact CE-OG 3.2Å; K44-S59 WeakPolarHBondContact CG-OG 3.48Å; K44-S59 PolarHBondContact N-O 3.33Å; K44-S59 PolarHBondContact O-N 3.4Å; K44-T91 HydrophobicContact CB-CG2 4.08Å; K44-T91 HydrophobicContact CD-CG2 4.4Å; K44-T91 HydrophobicContact CG-CG2 4.46Å; K44-T91 PolarHBondContact NZ-O 3.43Å
45	E	93.6	Very high	92.9	Very high	23 Å²	23	51 Å²	51	11%	0.107	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.4	165.6	-166.4	177.5	78.3	0	0	108.3	L28 K29 I31 K56 V57 K134	L28-E45 WeakPolarHBondContact CB-O 3.36Å; L28-E45 WeakPolarHBondContact CD2-O 3.43Å; L28-E45 WeakPolarHBondContact CG-O 3.49Å; K29-E45 PolarHBondContact O-N 3.48Å; I31-E45 HydrophobicContact CD1-CB 4.13Å; E45-K56 HydrophobicContact CG-CB 4.38Å; E45-K56 IonicContact OE1-NZ 2.75Å; E45-K56 PolarHBondContact OE1-NZ 2.84Å; E45-K56 IonicContact OE2-NZ 3.7Å; E45-V57 CarbonylContact C-O 3.52Å; E45-K134 IonicContact OE2-NZ 2.87Å; E45-K134 PolarHBondContact OE2-NZ 2.75Å
46	E	91	Very high	92.6	Very high	35 Å²	35	54.7 Å²	54.7	16%	0.164	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	158.3	172.3	-65.1	177	-171.5	0	0	109.8	K44 K56 V57 S59	K44-E46 WeakPolarHBondContact CE-OE1 3.41Å; K44-E46 HydrophobicContact CG-CG 4.2Å; K44-E46 IonicContact NZ-OE1 2.66Å; E46-K56 WeakPolarHBondContact O-CA 3.49Å; E46-V57 HydrophobicContact CB-CG1 3.87Å; E46-V57 PolarHBondContact N-O 2.8Å; E46-V57 PolarHBondContact O-N 2.76Å; E46-S59 WeakPolarHBondContact OE1-CB 3.14Å; E46-S59 PolarHBondContact OE1-OG 3.25Å
47	I	91.1	Very high	92.5	Very high	70 Å²	70	50.9 Å²	50.9	36%	0.359	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.7	174.6	-62.2	173.1	0	0	0	107.6	E54 V55 K56	I47-E54 HydrophobicContact CG2-CB 3.63Å; I47-E54 HydrophobicContact CG2-CG 3.76Å; I47-V55 WeakPolarHBondContact CA-O 3.31Å; I47-K56 HydrophobicContact CG1-CG 4.4Å
48	V	91.6	Very high	92.5	Very high	14 Å²	14	48.6 Å²	48.6	9%	0.085	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.9	168.3	-60.6	0	0	0	0	109.2	I50 E54 V55 V57 A166 I167 A170	V48-I50 HydrophobicContact CG2-CD1 4.33Å; V48-I50 HydrophobicContact CG2-CG1 4.19Å; V48-E54 WeakPolarHBondContact O-CA 3.21Å; V48-V55 HydrophobicContact CG2-CB 3.96Å; V48-V55 WeakPolarHBondContact CG2-O 3.2Å; V48-V55 PolarHBondContact N-O 2.91Å; V48-V55 PolarHBondContact O-N 3.01Å; V48-V57 HydrophobicContact CG1-CG1 4.14Å; V48-A166 HydrophobicContact CG1-CB 3.8Å; V48-I167 HydrophobicContact CB-CG1 4.23Å; V48-I167 HydrophobicContact CG1-CG1 4.06Å; V48-A170 HydrophobicContact CG2-CB 3.51Å
49	N	90.1	Very high	92.6	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118	177.9	-172	-34.3	0	0	0	109.7	G52 Q53	N49-G52 VanDerWaalsContact OD1-CA 3.23Å; N49-G52 WeakPolarHBondContact OD1-CA 3.08Å; N49-G52 PolarHBondContact OD1-N 2.85Å; N49-Q53 WeakPolarHBondContact CA-O 3.46Å
50	I	88.4	Confident	92.7	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.097	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	110.2	-177.9	-48.4	-65.3	0	0	0	107.5	V48 G52 Q53 V55 I167 T171 Y565	V48-I50 HydrophobicContact CG2-CD1 4.33Å; V48-I50 HydrophobicContact CG2-CG1 4.19Å; I50-G52 PolarHBondContact O-N 2.75Å; I50-G52 VanDerWaalsContact O-N 3.15Å; I50-Q53 PolarHBondContact N-O 3.35Å; I50-Q53 WeakPolarHBondContact O-CB 3.35Å; I50-Q53 PolarHBondContact O-N 3.36Å; I50-V55 HydrophobicContact CG1-CG2 4.49Å; I50-I167 HydrophobicContact CD1-CB 4.46Å; I50-I167 HydrophobicContact CD1-CG1 4.25Å; I50-I167 HydrophobicContact CD1-CG2 3.69Å; I50-T171 HydrophobicContact CB-CG2 4.31Å; I50-T171 HydrophobicContact CD1-CG2 3.7Å; I50-T171 HydrophobicContact CG1-CG2 3.56Å; I50-T171 HydrophobicContact CG2-CG2 3.96Å; I50-Y565 HydrophobicContact CD1-CD1 4.27Å; I50-Y565 HydrophobicContact CD1-CG 4.04Å; I50-Y565 HydrophobicContact CG2-CD1 4.02Å; I50-Y565 HydrophobicContact CG2-CE1 3.88Å
51	D	86.4	Confident	92.7	Very high	113 Å²	113	45.2 Å²	45.2	60%	0.604	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	39.9	-179.3	-63.8	-42.5	0	0	0	113.8	Q53 Y565	D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.15Å; D51-Y565 WeakPolarHBondContact OD1-CE1 3.4Å; D51-Y565 WeakPolarHBondContact OD2-CE1 3.36Å; D51-Y565 PolarHBondContact OD2-OH 2.94Å
52	G	85.1	Confident	92.7	Very high	64 Å²	64	45.3 Å²	45.3	66%	0.66	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	-1	-179.6	0	0	0	0	0	114.6	N49 I50	N49-G52 VanDerWaalsContact OD1-CA 3.23Å; N49-G52 WeakPolarHBondContact OD1-CA 3.08Å; N49-G52 PolarHBondContact OD1-N 2.85Å; I50-G52 PolarHBondContact O-N 2.75Å; I50-G52 VanDerWaalsContact O-N 3.15Å
53	Q	88.9	Confident	92.7	Very high	144 Å²	144	44 Å²	44	67%	0.673	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.8	175.3	-58.9	-170.7	-5.1	0	0	111	N49 I50 D51 V55	N49-Q53 WeakPolarHBondContact CA-O 3.46Å; I50-Q53 PolarHBondContact N-O 3.35Å; I50-Q53 WeakPolarHBondContact O-CB 3.35Å; I50-Q53 PolarHBondContact O-N 3.36Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.15Å; Q53-V55 PolarHBondContact O-N 2.87Å
54	E	89.6	Confident	92.8	Very high	145 Å²	145	44.2 Å²	44.2	68%	0.678	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80	114.9	172.5	-70.7	-170.1	163.1	0	0	110.4	I47 V48	I47-E54 HydrophobicContact CG2-CB 3.63Å; I47-E54 HydrophobicContact CG2-CG 3.76Å; V48-E54 WeakPolarHBondContact O-CA 3.21Å
55	V	90.6	Very high	93	Very high	45 Å²	45	42.1 Å²	42.1	27%	0.273	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.6	176.5	-170.7	0	0	0	0	109.3	I47 V48 I50 Q53 A170	I47-V55 WeakPolarHBondContact CA-O 3.31Å; V48-V55 HydrophobicContact CG2-CB 3.96Å; V48-V55 WeakPolarHBondContact CG2-O 3.2Å; V48-V55 PolarHBondContact N-O 2.91Å; V48-V55 PolarHBondContact O-N 3.01Å; I50-V55 HydrophobicContact CG1-CG2 4.49Å; Q53-V55 PolarHBondContact O-N 2.87Å; V55-A170 HydrophobicContact CB-CB 4.31Å; V55-A170 HydrophobicContact CG1-CB 3.86Å
56	K	90.5	Very high	93.3	Very high	86 Å²	86	41.2 Å²	41.2	37%	0.374	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.3	-179.2	-67.9	174.8	171.8	-129.4	0	111.2	E45 E46 I47 K134	E45-K56 HydrophobicContact CG-CB 4.38Å; E45-K56 IonicContact OE1-NZ 2.75Å; E45-K56 PolarHBondContact OE1-NZ 2.84Å; E45-K56 IonicContact OE2-NZ 3.7Å; E46-K56 WeakPolarHBondContact O-CA 3.49Å; I47-K56 HydrophobicContact CG1-CG 4.4Å; K56-K134 HydrophobicContact CB-CB 4.36Å; K56-K134 HydrophobicContact CB-CD 4.11Å; K56-K134 HydrophobicContact CD-CD 4.13Å
57	V	93.8	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.7	176.1	64.5	0	0	0	0	108.9	E45 E46 V48 W131 T132 A166 A170	E45-V57 CarbonylContact C-O 3.52Å; E46-V57 HydrophobicContact CB-CG1 3.87Å; E46-V57 PolarHBondContact N-O 2.8Å; E46-V57 PolarHBondContact O-N 2.76Å; V48-V57 HydrophobicContact CG1-CG1 4.14Å; V57-W131 HydrophobicContact CG2-CB 4.27Å; V57-T132 WeakPolarHBondContact CG2-O 3.27Å; V57-A166 HydrophobicContact CG1-CB 4Å; V57-A170 HydrophobicContact CB-CB 4.23Å
58	N	95.4	Very high	94	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.128	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.9	174.9	-51.8	-31.8	0	0	0	108.4	I31 K44 F60 W131 T132	I31-N58 HydrophobicContact CD1-CB 3.69Å; I31-N58 WeakPolarHBondContact CD1-OD1 3.34Å; K44-N58 WeakPolarHBondContact O-CA 2.95Å; N58-F60 HydrophobicContact CB-CE2 3.94Å; N58-W131 WeakPolarHBondContact O-CA 3.27Å; N58-T132 HydrophobicContact CB-CG2 3.73Å; N58-T132 PolarHBondContact N-O 2.96Å; N58-T132 PolarHBondContact O-N 3.29Å
59	S	96.6	Very high	94.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137	176.7	67.4	0	0	0	0	111.3	G43 K44 E46	G43-S59 CarbonylContact C-O 3.51Å; G43-S59 WeakPolarHBondContact CA-O 3.28Å; K44-S59 WeakPolarHBondContact CE-OG 3.2Å; K44-S59 WeakPolarHBondContact CG-OG 3.48Å; K44-S59 PolarHBondContact N-O 3.33Å; K44-S59 PolarHBondContact O-N 3.4Å; E46-S59 WeakPolarHBondContact OE1-CB 3.14Å; E46-S59 PolarHBondContact OE1-OG 3.25Å
60	F	98.2	Very high	94.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	102	174.3	-56.4	-98.2	0	0	0	107.2	I31 I33 V41 G43 N58 I63 A90 N129 V130 T132 F226	I31-F60 HydrophobicContact CB-CZ 4.19Å; I31-F60 HydrophobicContact CG2-CE1 4.39Å; I31-F60 HydrophobicContact CG2-CZ 3.81Å; I33-F60 HydrophobicContact CB-CE1 4.19Å; I33-F60 HydrophobicContact CB-CZ 4.46Å; I33-F60 HydrophobicContact CD1-CZ 4.02Å; I33-F60 HydrophobicContact CG1-CD1 4.4Å; I33-F60 HydrophobicContact CG1-CE1 3.4Å; I33-F60 VanDerWaalsContact CG1-CE1 3.4Å; I33-F60 HydrophobicContact CG1-CE2 4.14Å; I33-F60 HydrophobicContact CG1-CZ 3.25Å; V41-F60 HydrophobicContact CB-CD1 4.36Å; V41-F60 HydrophobicContact CG2-CD1 3.66Å; V41-F60 HydrophobicContact CG2-CE1 4.08Å; G43-F60 VanDerWaalsContact CA-CD1 3.43Å; N58-F60 HydrophobicContact CB-CE2 3.94Å; F60-I63 HydrophobicContact CB-CD1 3.84Å; F60-I63 HydrophobicContact CB-CG1 4.37Å; F60-A90 CarbonylContact C-O 3.56Å; F60-A90 WeakPolarHBondContact CA-O 3.49Å; F60-A90 HydrophobicContact CB-CB 4.35Å; F60-N129 CarbonylContact O-C 3.31Å; F60-N129 VanDerWaalsContact O-CA 3.31Å; F60-N129 WeakPolarHBondContact O-CA 3.03Å; F60-V130 HydrophobicContact CB-CB 4.33Å; F60-V130 PolarHBondContact N-O 2.72Å; F60-V130 PolarHBondContact O-N 2.94Å; F60-T132 HydrophobicContact CE2-CG2 3.94Å; F60-F226 HydrophobicContact CB-CE1 4.22Å; F60-F226 AromaticContact CD1-CE1 3.98Å; F60-F226 HydrophobicContact CD1-CE1 3.98Å; F60-F226 AromaticContact CD2-CD1 3.91Å; F60-F226 HydrophobicContact CD2-CD1 3.91Å; F60-F226 AromaticContact CD2-CE1 3.76Å; F60-F226 HydrophobicContact CD2-CE1 3.76Å; F60-F226 HydrophobicContact CE1-CE1 4.29Å; F60-F226 AromaticContact CE2-CD1 3.97Å; F60-F226 HydrophobicContact CE2-CD1 3.97Å; F60-F226 HydrophobicContact CE2-CE1 4.09Å; F60-F226 HydrophobicContact CG-CD1 4.34Å; F60-F226 AromaticContact CG-CE1 3.72Å; F60-F226 HydrophobicContact CG-CE1 3.72Å; F60-F226 HydrophobicContact CZ-CD1 4.45Å; F60-F226 HydrophobicContact CZ-CE1 4.35Å
61	L	98.4	Very high	95	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.5	-168.6	-52.6	179.3	0	0	0	109.8	A90 T92 L93 N129 W131	L61-A90 PolarHBondContact N-O 2.93Å; L61-A90 CarbonylContact O-C 3.55Å; L61-A90 WeakPolarHBondContact O-CA 3.23Å; L61-A90 WeakPolarHBondContact O-CB 3.46Å; L61-T92 CarbonylContact C-O 3.48Å; L61-T92 VanDerWaalsContact C-O 3.25Å; L61-T92 WeakPolarHBondContact CB-O 3.35Å; L61-T92 VanDerWaalsContact O-O 3.07Å; L61-L93 HydrophobicContact CB-CD2 4.25Å; L61-L93 HydrophobicContact CD1-CD2 4.1Å; L61-L93 HydrophobicContact CD1-CG 4.25Å; L61-L93 HydrophobicContact CD2-CD2 4.11Å; L61-L93 HydrophobicContact CG-CD2 4.38Å; L61-N129 WeakPolarHBondContact CA-OD1 3.23Å; L61-N129 HydrophobicContact CD2-CB 3.99Å; L61-W131 HydrophobicContact CD2-CH2 4.49Å; L61-W131 HydrophobicContact CD2-CZ2 3.75Å
62	G	98.5	Very high	95.4	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71	44.5	175.4	0	0	0	0	0	114.9	Y88 Y127 L128 N129	G62-Y88 WeakPolarHBondContact O-CE1 3.46Å; G62-Y88 PolarHBondContact O-OH 2.98Å; G62-Y127 WeakPolarHBondContact O-CD1 3.34Å; G62-L128 PolarHBondContact N-O 2.66Å; G62-N129 PolarHBondContact N-OD1 3.17Å
63	I	98.8	Very high	96	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.3	173.8	-50.9	176.3	0	0	0	109.7	V41 F60 Y65 W84 A90 Y127 L128 V130 W218 F226	V41-I63 HydrophobicContact CG1-CD1 4.34Å; V41-I63 HydrophobicContact CG1-CG1 4.26Å; V41-I63 HydrophobicContact CG1-CG2 4.08Å; V41-I63 HydrophobicContact CG2-CD1 4.49Å; F60-I63 HydrophobicContact CB-CD1 3.84Å; F60-I63 HydrophobicContact CB-CG1 4.37Å; I63-Y65 PolarHBondContact O-N 2.78Å; I63-W84 HydrophobicContact CG2-CH2 4.19Å; I63-A90 HydrophobicContact CG1-CB 4Å; I63-Y127 CarbonylContact O-C 3.13Å; I63-Y127 VanDerWaalsContact O-CA 3.23Å; I63-Y127 WeakPolarHBondContact O-CA 3.34Å; I63-L128 HydrophobicContact CB-CD1 3.91Å; I63-L128 HydrophobicContact CB-CG 4.39Å; I63-L128 HydrophobicContact CD1-CD1 4.01Å; I63-L128 HydrophobicContact CG1-CD1 4.35Å; I63-L128 PolarHBondContact N-O 3.17Å; I63-L128 PolarHBondContact O-N 3.47Å; I63-V130 HydrophobicContact CD1-CG2 4.04Å; I63-W218 HydrophobicContact CD1-CH2 4Å; I63-W218 HydrophobicContact CD1-CZ2 4.23Å; I63-W218 HydrophobicContact CG2-CH2 4.48Å; I63-W218 HydrophobicContact CG2-CZ2 3.76Å; I63-F226 HydrophobicContact CD1-CE1 4.34Å; I63-F226 HydrophobicContact CD1-CZ 3.99Å
64	P	98.6	Very high	96.4	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.032	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125	179	26.3	-30.8	0	0	0	110.5	W84 Y88 Y127	P64-W84 HydrophobicContact CG-CE3 4.41Å; P64-W84 HydrophobicContact CG-CH2 4.25Å; P64-W84 HydrophobicContact CG-CZ3 3.75Å; P64-Y88 HydrophobicContact CG-CE2 4.16Å; P64-Y127 HydrophobicContact CB-CD1 3.81Å; P64-Y127 HydrophobicContact CB-CE1 3.63Å; P64-Y127 HydrophobicContact CG-CD1 4.41Å; P64-Y127 HydrophobicContact CG-CE1 4.17Å
65	Y	98.7	Very high	96.8	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.012	16%	0.158	C	C	.	.			trans	-107.6	-20.1	177.6	70.2	-100.1	0	0	0	112.9	I63 H81 L126 Y127 L128 M179 Q180 D211 M214 A215	I63-Y65 PolarHBondContact O-N 2.78Å; Y65-H81 PolarHBondContact O-N 2.84Å; Y65-L126 WeakPolarHBondContact CD1-O 3.28Å; Y65-L126 HydrophobicContact CE1-CB 4.2Å; Y65-L126 HydrophobicContact CE2-CB 4.3Å; Y65-L126 PolarHBondContact N-O 3.14Å; Y65-Y127 WeakPolarHBondContact CE1-O 3.23Å; Y65-L128 HydrophobicContact CD1-CB 4.06Å; Y65-L128 HydrophobicContact CD1-CD2 3.9Å; Y65-L128 HydrophobicContact CD1-CG 4.07Å; Y65-L128 HydrophobicContact CG-CD2 4.07Å; Y65-M179 HydrophobicContact CE1-CB 4.13Å; Y65-Q180 PolarHBondContact OH-O 2.91Å; Y65-D211 VanDerWaalsContact CE2-O 3.25Å; Y65-D211 WeakPolarHBondContact CE2-O 3.11Å; Y65-M214 HydrophobicContact CD2-CB 4.09Å; Y65-M214 HydrophobicContact CD2-CG 3.86Å; Y65-M214 HydrophobicContact CE2-CB 4.04Å; Y65-M214 HydrophobicContact CE2-CG 4.22Å; Y65-A215 HydrophobicContact CD1-CB 4.23Å; Y65-A215 HydrophobicContact CD2-CB 4.01Å; Y65-A215 HydrophobicContact CE1-CB 4.17Å; Y65-A215 HydrophobicContact CE2-CB 3.99Å; Y65-A215 HydrophobicContact CG-CB 4.15Å
66	A	98.7	Very high	97.2	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-132.4	161.4	177.4	0	0	0	0	0	111.4	P78 E79 L126 M214	A66-P78 HydrophobicContact CB-CB 4.13Å; A66-E79 CarbonylContact C-O 3.53Å; A66-E79 VanDerWaalsContact CA-O 3.28Å; A66-E79 WeakPolarHBondContact CA-O 3.48Å; A66-E79 WeakPolarHBondContact CB-O 3.47Å; A66-L126 HydrophobicContact CB-CB 3.92Å; A66-L126 HydrophobicContact CB-CD1 3.64Å; A66-L126 HydrophobicContact CB-CG 4.44Å; A66-M214 HydrophobicContact CB-CG 4.16Å
67	S	98.5	Very high	97.5	Very high	22 Å²	22	26.3 Å²	26.3	15%	0.154	14%	0.142	C	C	.	.			trans	-64	148.7	169.3	-66.8	0	0	0	0	110.7	P69 E79 K80	S67-P69 WeakPolarHBondContact O-CD 3.43Å; S67-E79 PolarHBondContact N-O 2.93Å; S67-K80 PolarHBondContact OG-O 3.42Å
68	K	98.2	Very high	97.7	Very high	102 Å²	102	27.1 Å²	27.1	44%	0.443	15%	0.148	S	C	.	.			trans	-58.5	119.8	-180	-48.9	-173.6	175.1	-156.5	0	110.1	I70 D124	K68-I70 HydrophobicContact CB-CD1 4.22Å; K68-I70 HydrophobicContact CB-CG1 4.04Å; K68-I70 PolarHBondContact O-N 3.42Å; K68-D124 HydrophobicContact CB-CB 4.43Å; K68-D124 HydrophobicContact CD-CB 4.16Å; K68-D124 VanDerWaalsContact CD-CG 3.43Å; K68-D124 VanDerWaalsContact CD-OD2 3.23Å; K68-D124 WeakPolarHBondContact CD-OD2 3.23Å; K68-D124 WeakPolarHBondContact CE-OD2 3.33Å; K68-D124 HydrophobicContact CG-CB 4.39Å; K68-D124 WeakPolarHBondContact CG-OD1 3.48Å; K68-D124 IonicContact NZ-OD2 2.68Å; K68-D124 PolarHBondContact NZ-OD2 2.85Å
69	P	98.2	Very high	97.9	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.039	16%	0.164	C	C	.	.			trans	-81.4	48.9	-174.6	35.4	-38.6	0	0	0	112.4	S67 L73 R74 E123 L126 R182	S67-P69 WeakPolarHBondContact O-CD 3.43Å; P69-L73 CarbonylContact O-C 3.6Å; P69-R74 VanDerWaalsContact O-CA 3.31Å; P69-R74 WeakPolarHBondContact O-CA 3.48Å; P69-R74 PolarHBondContact O-N 3.16Å; P69-E123 VanDerWaalsContact CD-O 3.25Å; P69-E123 WeakPolarHBondContact CD-O 3.48Å; P69-E123 WeakPolarHBondContact CG-O 3.42Å; P69-L126 HydrophobicContact CB-CD1 4.16Å; P69-L126 HydrophobicContact CG-CD1 3.78Å; P69-L126 HydrophobicContact CG-CG 3.88Å; P69-R182 HydrophobicContact CG-CG 4.39Å
70	I	97.7	Very high	97.9	Very high	78 Å²	78	36.4 Å²	36.4	40%	0.4	19%	0.188	S	C	.	.			trans	-104.5	161.2	-175.5	60.2	175.6	0	0	0	112.1	K68 K72 L73 E123	K68-I70 HydrophobicContact CB-CD1 4.22Å; K68-I70 HydrophobicContact CB-CG1 4.04Å; K68-I70 PolarHBondContact O-N 3.42Å; I70-K72 PolarHBondContact O-N 2.57Å; I70-K72 VanDerWaalsContact O-N 3.15Å; I70-L73 PolarHBondContact O-N 2.98Å; I70-E123 HydrophobicContact CG2-CB 3.62Å
71	G	96	Very high	97.9	Very high	43 Å²	43	38.8 Å²	38.8	44%	0.443	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	57.5	-118.4	176.8	0	0	0	0	0	111.7	L73 R74	G71-L73 PolarHBondContact O-N 2.9Å; G71-R74 WeakPolarHBondContact O-CB 2.77Å; G71-R74 PolarHBondContact O-N 2.93Å; G71-R74 VanDerWaalsContact O-N 3.15Å
72	K	95.1	Very high	97.8	Very high	165 Å²	165	43.7 Å²	43.7	72%	0.717	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-65	-23.1	177.8	71.1	173.8	-174.1	170	0	113.7	I70 R74 R308	I70-K72 PolarHBondContact O-N 2.57Å; I70-K72 VanDerWaalsContact O-N 3.15Å; K72-R74 VanDerWaalsContact C-N 3.33Å; K72-R308 VanDerWaalsContact O-CZ 3.27Å; K72-R308 PolarHBondContact O-NH2 2.76Å
73	L	97.3	Very high	97.7	Very high	26 Å²	26	44.3 Å²	44.3	14%	0.136	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-86.5	-6	178.2	-63.4	-179.1	0	0	0	112.5	P69 I70 G71 F75 A76 E79	P69-L73 CarbonylContact O-C 3.6Å; I70-L73 PolarHBondContact O-N 2.98Å; G71-L73 PolarHBondContact O-N 2.9Å; L73-F75 PolarHBondContact O-N 2.88Å; L73-A76 HydrophobicContact CD2-CB 4.32Å; L73-A76 WeakPolarHBondContact O-CB 3.34Å; L73-A76 PolarHBondContact O-N 2.82Å; L73-E79 HydrophobicContact CD2-CG 4.22Å
74	R	98.1	Very high	97.6	Very high	14 Å²	14	46.4 Å²	46.4	5%	0.053	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	129.7	169.8	-170.9	-171.2	-69.3	177.9	-4.9	108.6	P69 G71 K72 A76 E123 F186 L307 R308 L310	P69-R74 VanDerWaalsContact O-CA 3.31Å; P69-R74 WeakPolarHBondContact O-CA 3.48Å; P69-R74 PolarHBondContact O-N 3.16Å; G71-R74 WeakPolarHBondContact O-CB 2.77Å; G71-R74 PolarHBondContact O-N 2.93Å; G71-R74 VanDerWaalsContact O-N 3.15Å; K72-R74 VanDerWaalsContact C-N 3.33Å; R74-A76 PolarHBondContact O-N 2.91Å; R74-E123 WeakPolarHBondContact CG-OE1 3.42Å; R74-E123 IonicContact CZ-OE1 3.8Å; R74-E123 IonicContact CZ-OE2 3.44Å; R74-E123 IonicContact NE-OE1 2.72Å; R74-E123 PolarHBondContact NE-OE1 2.78Å; R74-E123 IonicContact NE-OE2 3.48Å; R74-E123 PolarHBondContact NE-OE2 3.47Å; R74-E123 VanDerWaalsContact NH2-CD 3.31Å; R74-E123 IonicContact NH2-OE1 3.55Å; R74-E123 PolarHBondContact NH2-OE1 2.66Å; R74-E123 IonicContact NH2-OE2 2.68Å; R74-E123 PolarHBondContact NH2-OE2 2.9Å; R74-F186 HydrophobicContact CG-CD1 4.2Å; R74-L307 PolarHBondContact NH1-O 2.84Å; R74-R308 HydrophobicContact CB-CG 4.34Å; R74-R308 PolarHBondContact NH1-O 3.34Å; R74-R308 PolarHBondContact O-NE 3.41Å; R74-R308 VanDerWaalsContact O-NE 3.07Å; R74-R308 PolarHBondContact O-NH2 2.94Å; R74-L310 PolarHBondContact NH1-O 3.1Å; R74-L310 PolarHBondContact NH2-O 3.13Å
75	F	98.1	Very high	97.5	Very high	1 Å²	1	56 Å²	56	0%	0.004	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	0.6	-172.4	-39.1	-62.5	0	0	0	115.9	L73 A185 F186 L189 A203 Q207 L304 L307 R308 L315	L73-F75 PolarHBondContact O-N 2.88Å; F75-A185 WeakPolarHBondContact CD1-O 3.37Å; F75-A185 WeakPolarHBondContact CE1-O 2.94Å; F75-F186 HydrophobicContact CE1-CD1 4.34Å; F75-L189 HydrophobicContact CD1-CB 4.34Å; F75-L189 HydrophobicContact CD1-CD2 4.01Å; F75-L189 HydrophobicContact CD2-CD2 4.43Å; F75-L189 HydrophobicContact CE1-CD2 4.15Å; F75-L189 HydrophobicContact CG-CD2 4.15Å; F75-L189 HydrophobicContact CZ-CD2 4.4Å; F75-A203 HydrophobicContact CB-CB 3.94Å; F75-A203 WeakPolarHBondContact O-CA 3.33Å; F75-A203 PolarHBondContact O-N 2.91Å; F75-Q207 VanDerWaalsContact O-CG 3.25Å; F75-Q207 WeakPolarHBondContact O-CG 3.46Å; F75-L304 HydrophobicContact CB-CD1 4.36Å; F75-L304 HydrophobicContact CD2-CD1 3.74Å; F75-L304 HydrophobicContact CG-CD1 4.44Å; F75-L307 HydrophobicContact CE2-CB 3.74Å; F75-L307 HydrophobicContact CZ-CB 4.17Å; F75-R308 HydrophobicContact CD2-CG 4.08Å; F75-R308 HydrophobicContact CE2-CG 4.13Å; F75-L315 HydrophobicContact CE1-CD1 4.39Å; F75-L315 HydrophobicContact CZ-CD1 3.76Å
76	A	97.3	Very high	97.4	Very high	6 Å²	6	58 Å²	58	5%	0.05	31%	0.309	C	S	.	.	S	Bend	trans	-79.9	155.7	174.2	0	0	0	0	0	110.8	L73 R74 R182 D202 Q207	L73-A76 HydrophobicContact CD2-CB 4.32Å; L73-A76 WeakPolarHBondContact O-CB 3.34Å; L73-A76 PolarHBondContact O-N 2.82Å; R74-A76 PolarHBondContact O-N 2.91Å; A76-R182 VanDerWaalsContact O-CZ 3.32Å; A76-R182 PolarHBondContact O-NH1 2.94Å; A76-R182 PolarHBondContact O-NH2 3.31Å; A76-D202 WeakPolarHBondContact CB-OD1 3.37Å; A76-Q207 WeakPolarHBondContact O-CG 3.17Å
77	P	97.6	Very high	97.3	Very high	40 Å²	40	64.5 Å²	64.5	26%	0.26	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-49.1	146.2	161.3	-26.7	36.4	0	0	0	111.3	E79 T201 L210	P77-E79 PolarHBondContact O-N 3.1Å; P77-T201 WeakPolarHBondContact CD-O 3.46Å; P77-L210 HydrophobicContact CB-CD1 4.01Å; P77-L210 HydrophobicContact CG-CD1 4.28Å
78	P	98.4	Very high	97.3	Very high	18 Å²	18	66.8 Å²	66.8	12%	0.117	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-63.4	139.3	177.1	27.7	-34.6	0	0	0	111	A66 L126 L210 D211 M214	A66-P78 HydrophobicContact CB-CB 4.13Å; P78-L126 HydrophobicContact CB-CD1 4.26Å; P78-L210 HydrophobicContact CG-CB 3.97Å; P78-L210 WeakPolarHBondContact CG-O 3.3Å; P78-D211 VanDerWaalsContact CB-OD1 3.26Å; P78-D211 WeakPolarHBondContact CB-OD1 3.19Å; P78-D211 WeakPolarHBondContact CD-OD1 3.48Å; P78-D211 VanDerWaalsContact CG-OD1 3.29Å; P78-D211 WeakPolarHBondContact CG-OD1 3.42Å; P78-M214 HydrophobicContact CB-CB 4.44Å; P78-M214 HydrophobicContact CB-CE 4.29Å; P78-M214 HydrophobicContact CG-CB 4.13Å; P78-M214 HydrophobicContact CG-CE 4.22Å; P78-M214 WeakPolarHBondContact O-CE 3.44Å
79	E	98.2	Very high	97.2	Very high	101 Å²	101	66.6 Å²	66.6	47%	0.472	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-94.3	143.7	167.8	-65.3	-177.2	169.3	0	0	109.7	A66 S67 L73 P77 H81	A66-E79 CarbonylContact C-O 3.53Å; A66-E79 VanDerWaalsContact CA-O 3.28Å; A66-E79 WeakPolarHBondContact CA-O 3.48Å; A66-E79 WeakPolarHBondContact CB-O 3.47Å; S67-E79 PolarHBondContact N-O 2.93Å; L73-E79 HydrophobicContact CD2-CG 4.22Å; P77-E79 PolarHBondContact O-N 3.1Å; E79-H81 PolarHBondContact O-N 3.11Å
80	K	98	Very high	97.2	Very high	117 Å²	117	66.3 Å²	66.3	51%	0.509	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-59.6	135.7	175	-176.9	173.3	-177.8	168.3	0	109.6	S67 M214 E221	S67-K80 PolarHBondContact OG-O 3.42Å; K80-M214 HydrophobicContact CB-CE 4.28Å; K80-M214 HydrophobicContact CB-SD 4Å; K80-M214 HydrophobicContact CG-SD 4.45Å; K80-E221 WeakPolarHBondContact CE-OE2 3.43Å; K80-E221 IonicContact NZ-OE1 3.22Å; K80-E221 PolarHBondContact NZ-OE1 3.37Å; K80-E221 IonicContact NZ-OE2 3.64Å; K80-E221 PolarHBondContact NZ-OE2 3.31Å
81	H	97.8	Very high	97.2	Very high	51 Å²	51	64.1 Å²	64.1	24%	0.236	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-59.8	134.9	176.2	-169.3	-84.8	0	0	0	110	Y65 E79 G83 W84	Y65-H81 PolarHBondContact O-N 2.84Å; E79-H81 PolarHBondContact O-N 3.11Å; H81-G83 PolarHBondContact ND1-N 2.68Å; H81-G83 VanDerWaalsContact ND1-N 3.17Å; H81-G83 PolarHBondContact O-N 3.24Å; H81-W84 AromaticContact CE1-CE3 3.73Å; H81-W84 AromaticContact ND1-CE3 3.86Å
82	P	96.5	Very high	97.2	Very high	113 Å²	113	66.4 Å²	66.4	73%	0.734	34%	0.34	S	S	*	.			trans	-68.2	3.7	-176	27.9	-36.9	0	0	0	114.8
83	G	96.1	Very high	97.4	Very high	15 Å²	15	61.6 Å²	61.6	16%	0.155	32%	0.322	C	S	.	.			trans	70.7	-177.7	-167.7	0	0	0	0	0	112.9	H81	H81-G83 PolarHBondContact ND1-N 2.68Å; H81-G83 VanDerWaalsContact ND1-N 3.17Å; H81-G83 PolarHBondContact O-N 3.24Å
84	W	97.4	Very high	97.4	Very high	44 Å²	44	60.7 Å²	60.7	17%	0.167	32%	0.317	C	S	.	.			trans	-143.4	161.3	173.6	57.8	92.3	0	0	0	109.7	L35 H37 G39 S40 V41 I63 P64 H81 Y88	L35-W84 HydrophobicContact CD1-CH2 3.55Å; L35-W84 HydrophobicContact CD1-CZ2 3.56Å; H37-W84 AromaticContact CE1-CD2 3.51Å; H37-W84 AromaticContact CE1-CE2 3.6Å; H37-W84 AromaticContact CE1-CE3 3.71Å; H37-W84 AromaticContact CE1-CG 4Å; H37-W84 AromaticContact CE1-CZ2 3.92Å; H37-W84 AromaticContact CE1-CZ3 4Å; H37-W84 PolarHBondContact CE1-N 3.31Å; H37-W84 PolarHBondContact CE1-O 3.07Å; H37-W84 PolarHBondContact ND1-N 2.92Å; H37-W84 PolarHBondContact ND1-O 2.81Å; H37-W84 AromaticContact NE2-CD2 3.94Å; H37-W84 AromaticContact NE2-CE2 3.88Å; H37-W84 AromaticContact NE2-CE3 3.78Å; H37-W84 AromaticContact NE2-CH2 3.56Å; H37-W84 AromaticContact NE2-CZ2 3.72Å; H37-W84 AromaticContact NE2-CZ3 3.58Å; G39-W84 VanDerWaalsContact CA-O 3.28Å; G39-W84 WeakPolarHBondContact CA-O 3.36Å; G39-W84 PolarHBondContact N-O 3.41Å; S40-W84 PolarHBondContact O-NE1 3.23Å; V41-W84 HydrophobicContact CG1-CH2 4.18Å; V41-W84 HydrophobicContact CG1-CZ2 3.63Å; I63-W84 HydrophobicContact CG2-CH2 4.19Å; P64-W84 HydrophobicContact CG-CE3 4.41Å; P64-W84 HydrophobicContact CG-CH2 4.25Å; P64-W84 HydrophobicContact CG-CZ3 3.75Å; H81-W84 AromaticContact CE1-CE3 3.73Å; H81-W84 AromaticContact ND1-CE3 3.86Å; W84-Y88 VanDerWaalsContact CE2-CB 3.47Å; W84-Y88 HydrophobicContact CZ2-CG 4.22Å
85	K	95	Very high	97.4	Very high	208 Å²	208	61.1 Å²	61.1	90%	0.904	32%	0.322	S	S	*	.	S	Bend	trans	-98.8	145.2	167.9	-66.4	-176.2	178.4	-179.1	0	109.3
86	G	96.3	Very high	97.5	Very high	44 Å²	44	61 Å²	61	45%	0.454	32%	0.321	S	S	.	.	S	Bend	trans	80.1	-152	-179.3	0	0	0	0	0	113.1	S40	S40-G86 PolarHBondContact N-O 3.08Å
87	K	97.3	Very high	97.5	Very high	140 Å²	140	60.9 Å²	60.9	61%	0.609	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.7	-168.1	-56.6	-179.3	-175.2	-150.2	0	110.9	E32 S40 I42	E32-K87 WeakPolarHBondContact OE1-CE 3.14Å; E32-K87 IonicContact OE1-NZ 3.37Å; E32-K87 PolarHBondContact OE1-NZ 2.91Å; E32-K87 WeakPolarHBondContact OE2-CE 3.48Å; E32-K87 IonicContact OE2-NZ 2.67Å; E32-K87 PolarHBondContact OE2-NZ 2.87Å; S40-K87 CarbonylContact O-C 3.55Å; S40-K87 WeakPolarHBondContact O-CA 3.31Å; I42-K87 HydrophobicContact CD1-CB 4.31Å; I42-K87 HydrophobicContact CD1-CD 4.02Å; I42-K87 HydrophobicContact CD1-CG 4.34Å; I42-K87 HydrophobicContact CG1-CB 3.97Å; I42-K87 HydrophobicContact CG1-CD 4.39Å
88	Y	97.7	Very high	97.6	Very high	70 Å²	70	61.5 Å²	61.5	28%	0.275	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.2	172.2	179.4	-87.9	0	0	0	109.7	S40 V41 I42 G62 P64 W84 A90 Y127	S40-Y88 PolarHBondContact O-N 2.84Å; V41-Y88 CarbonylContact C-O 3.53Å; V41-Y88 WeakPolarHBondContact CA-O 3.45Å; V41-Y88 HydrophobicContact CG1-CD1 4.44Å; I42-Y88 PolarHBondContact N-O 3.4Å; G62-Y88 WeakPolarHBondContact O-CE1 3.46Å; G62-Y88 PolarHBondContact O-OH 2.98Å; P64-Y88 HydrophobicContact CG-CE2 4.16Å; W84-Y88 VanDerWaalsContact CE2-CB 3.47Å; W84-Y88 HydrophobicContact CZ2-CG 4.22Å; Y88-A90 HydrophobicContact CD1-CB 4.16Å; Y88-A90 HydrophobicContact CE1-CB 4.29Å; Y88-A90 PolarHBondContact O-N 2.85Å; Y88-Y127 WeakPolarHBondContact OH-CE1 3.39Å
89	N	97.7	Very high	97.6	Very high	98 Å²	98	60.8 Å²	60.8	52%	0.524	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	106.4	-179.8	-174.8	9	0	0	0	110.5	T91	N89-T91 PolarHBondContact ND2-OG1 3.35Å; N89-T91 WeakPolarHBondContact OD1-CB 3.46Å; N89-T91 VanDerWaalsContact OD1-CG2 3.26Å; N89-T91 WeakPolarHBondContact OD1-CG2 3.27Å; N89-T91 PolarHBondContact OD1-N 3.29Å; N89-T91 PolarHBondContact OD1-OG1 2.92Å
90	A	98	Very high	97.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.			trans	-108.6	50.9	180	0	0	0	0	0	110.8	V41 I42 F60 L61 I63 Y88	V41-A90 HydrophobicContact CB-CB 4.13Å; V41-A90 HydrophobicContact CG1-CB 4.47Å; I42-A90 CarbonylContact O-C 3.51Å; I42-A90 VanDerWaalsContact O-C 3.31Å; I42-A90 WeakPolarHBondContact O-CA 3.47Å; I42-A90 PolarHBondContact O-N 3.09Å; F60-A90 CarbonylContact C-O 3.56Å; F60-A90 WeakPolarHBondContact CA-O 3.49Å; F60-A90 HydrophobicContact CB-CB 4.35Å; L61-A90 PolarHBondContact N-O 2.93Å; L61-A90 CarbonylContact O-C 3.55Å; L61-A90 WeakPolarHBondContact O-CA 3.23Å; L61-A90 WeakPolarHBondContact O-CB 3.46Å; I63-A90 HydrophobicContact CG1-CB 4Å; Y88-A90 HydrophobicContact CD1-CB 4.16Å; Y88-A90 HydrophobicContact CE1-CB 4.29Å; Y88-A90 PolarHBondContact O-N 2.85Å
91	T	97.3	Very high	97.2	Very high	32 Å²	32	56.9 Å²	56.9	20%	0.196	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-107.9	-6	-178.5	54.5	0	0	0	0	113.9	K44 N89	K44-T91 HydrophobicContact CB-CG2 4.08Å; K44-T91 HydrophobicContact CD-CG2 4.4Å; K44-T91 HydrophobicContact CG-CG2 4.46Å; K44-T91 PolarHBondContact NZ-O 3.43Å; N89-T91 PolarHBondContact ND2-OG1 3.35Å; N89-T91 WeakPolarHBondContact OD1-CB 3.46Å; N89-T91 VanDerWaalsContact OD1-CG2 3.26Å; N89-T91 WeakPolarHBondContact OD1-CG2 3.27Å; N89-T91 PolarHBondContact OD1-N 3.29Å; N89-T91 PolarHBondContact OD1-OG1 2.92Å
92	T	96.9	Very high	96.8	Very high	92 Å²	92	57.5 Å²	57.5	56%	0.564	30%	0.298	S	S	*	.	S	Bend	trans	-125	141.1	-174.6	53.1	0	0	0	0	110.7	L61	L61-T92 CarbonylContact C-O 3.48Å; L61-T92 VanDerWaalsContact C-O 3.25Å; L61-T92 WeakPolarHBondContact CB-O 3.35Å; L61-T92 VanDerWaalsContact O-O 3.07Å
93	L	98.1	Very high	96.5	Very high	64 Å²	64	56.9 Å²	56.9	34%	0.335	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-60.8	143.7	173.3	-65.2	168	0	0	0	110.3	L61 T119 N159	L61-L93 HydrophobicContact CB-CD2 4.25Å; L61-L93 HydrophobicContact CD1-CD2 4.1Å; L61-L93 HydrophobicContact CD1-CG 4.25Å; L61-L93 HydrophobicContact CD2-CD2 4.11Å; L61-L93 HydrophobicContact CG-CD2 4.38Å; L93-T119 HydrophobicContact CB-CG2 3.9Å; L93-N159 HydrophobicContact CB-CB 4.5Å; L93-N159 HydrophobicContact CD1-CB 4.19Å; L93-N159 HydrophobicContact CD2-CB 4.39Å
94	S	98.1	Very high	96.2	Very high	6 Å²	6	58 Å²	58	4%	0.042	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-74.2	168.6	177.6	59.8	0	0	0	0	112.1	T119 Y127 N159	S94-T119 WeakPolarHBondContact O-CB 3.25Å; S94-T119 PolarHBondContact O-OG1 2.88Å; S94-Y127 VanDerWaalsContact CB-CB 3.43Å; S94-Y127 VanDerWaalsContact CB-CD2 3.47Å; S94-Y127 VanDerWaalsContact CB-CG 3.45Å; S94-Y127 WeakPolarHBondContact OG-CB 3.18Å; S94-N159 PolarHBondContact O-ND2 2.92Å
95	P	98.7	Very high	96	Very high	23 Å²	23	57 Å²	57	15%	0.149	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-58.8	148.8	166.3	-26	36.7	0	0	0	112.8	E120 Q180	P95-E120 CarbonylContact C-O 3.54Å; P95-E120 VanDerWaalsContact CA-O 3.3Å; P95-E120 WeakPolarHBondContact CA-O 3.33Å; P95-E120 HydrophobicContact CB-CG 4.18Å; P95-E120 WeakPolarHBondContact CB-O 3.39Å; P95-E120 HydrophobicContact CG-CG 4.25Å; P95-Q180 PolarHBondContact O-NE2 3.5Å
96	T	98.7	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.4	167.5	-65.4	0	0	0	0	109.4	N117 T119 E120 M121 S122 S157	T96-N117 HydrophobicContact CG2-CB 3.71Å; T96-T119 PolarHBondContact N-OG1 3.32Å; T96-T119 PolarHBondContact OG1-OG1 3Å; T96-E120 PolarHBondContact N-O 3.3Å; T96-M121 CarbonylContact O-C 3.56Å; T96-M121 VanDerWaalsContact O-CA 3.25Å; T96-M121 WeakPolarHBondContact O-CA 3.4Å; T96-S122 PolarHBondContact O-N 2.97Å; T96-S157 PolarHBondContact OG1-OG 3.3Å
97	C	98.8	Very high	95.6	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.6	173.3	-61.9	0	0	0	0	111.3	Q99 S122 C125 Y181	C97-Q99 PolarHBondContact O-N 2.9Å; C97-Q99 PolarHBondContact O-NE2 3.27Å; C97-S122 WeakPolarHBondContact CA-O 3.49Å; C97-C125 WeakPolarHBondContact CA-SG 3.39Å; C97-C125 HydrophobicContact CB-CB 3.86Å; C97-C125 WeakPolarHBondContact CB-SG 3.38Å; C97-C125 WeakPolarHBondContact SG-CB 3.4Å; C97-C125 CovalentContact SG-SG 2.04Å; C97-C125 PolarHBondContact SG-SG 3.35Å; C97-Y181 PolarHBondContact SG-O 3.47Å
98	W	98.5	Very high	95.5	Very high	54 Å²	54	46.6 Å²	46.6	21%	0.205	26%	0.26	C	S	.	.	S	Bend	trans	-50.6	129.8	173.1	-82.3	103.6	0	0	0	112.1	M121 S122 E123 V183 F186 P312 L313 V316	W98-M121 HydrophobicContact CD2-CB 4Å; W98-M121 HydrophobicContact CE3-CB 4.04Å; W98-M121 HydrophobicContact CE3-CE 4Å; W98-M121 HydrophobicContact CE3-SD 3.99Å; W98-M121 HydrophobicContact CG-CB 4.48Å; W98-M121 HydrophobicContact CZ3-CB 4.33Å; W98-M121 HydrophobicContact CZ3-CE 3.81Å; W98-M121 HydrophobicContact CZ3-SD 4.41Å; W98-S122 PolarHBondContact N-O 2.88Å; W98-E123 VanDerWaalsContact CD1-N 3.33Å; W98-V183 WeakPolarHBondContact O-CG2 3.47Å; W98-F186 HydrophobicContact CB-CD2 4.16Å; W98-F186 HydrophobicContact CB-CE2 3.67Å; W98-F186 HydrophobicContact CB-CZ 4.07Å; W98-P312 HydrophobicContact CB-CB 4.34Å; W98-P312 VanDerWaalsContact CD1-CB 3.47Å; W98-P312 HydrophobicContact CD2-CB 3.55Å; W98-P312 HydrophobicContact CD2-CG 4.5Å; W98-P312 VanDerWaalsContact CE2-CB 3.5Å; W98-P312 HydrophobicContact CE3-CB 4.28Å; W98-P312 HydrophobicContact CG-CB 3.55Å; W98-P312 HydrophobicContact CG-CG 4.46Å; W98-P312 HydrophobicContact CZ2-CB 4.17Å; W98-L313 HydrophobicContact CH2-CB 4.41Å; W98-L313 HydrophobicContact CZ3-CB 4.08Å; W98-L313 HydrophobicContact CZ3-CD1 4.39Å; W98-V316 HydrophobicContact CB-CG2 4.3Å; W98-V316 HydrophobicContact CE3-CG2 4.47Å
99	Q	98	Very high	95.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	25%	0.25	C	S	.	.			trans	-157.7	178.7	-173.2	62.8	-172.4	-96.2	0	0	111.2	C97 M121 T154 S155 G156 V183 V316	C97-Q99 PolarHBondContact O-N 2.9Å; C97-Q99 PolarHBondContact O-NE2 3.27Å; Q99-M121 HydrophobicContact CG-SD 3.85Å; Q99-T154 VanDerWaalsContact CB-O 3.28Å; Q99-T154 WeakPolarHBondContact CB-O 3.4Å; Q99-S155 VanDerWaalsContact OE1-CA 3.24Å; Q99-S155 VanDerWaalsContact OE1-CB 3.31Å; Q99-G156 PolarHBondContact NE2-O 2.73Å; Q99-V183 HydrophobicContact CB-CG2 3.77Å; Q99-V316 VanDerWaalsContact O-CG1 3.22Å; Q99-V316 WeakPolarHBondContact O-CG1 3.14Å
100	Y	95.2	Very high	95.4	Very high	52 Å²	52	40.1 Å²	40.1	20%	0.204	23%	0.233	C	C	.	.			trans	-54	141.1	173.6	-70.8	-46.3	0	0	0	113	T154 V316 L319	Y100-T154 VanDerWaalsContact CE2-CB 3.48Å; Y100-T154 HydrophobicContact CE2-CG2 3.85Å; Y100-V316 HydrophobicContact CD1-CG1 3.87Å; Y100-L319 HydrophobicContact CE1-CB 3.76Å; Y100-L319 HydrophobicContact CE1-CD1 4.09Å; Y100-L319 WeakPolarHBondContact OH-CB 3.42Å
101	I	93	Very high	95.2	Very high	85 Å²	85	40.1 Å²	40.1	44%	0.436	23%	0.233	S	C	.	.			trans	-93.4	107.5	174.9	-58.3	179.2	0	0	0	108.3	T103 M121 L313	I101-T103 HydrophobicContact CG2-CG2 3.98Å; I101-M121 HydrophobicContact CD1-CE 4.18Å; I101-M121 HydrophobicContact CG1-CE 3.83Å; I101-L313 HydrophobicContact CD1-CD1 3.61Å; I101-L313 HydrophobicContact CG1-CD1 4.42Å
102	F	89.8	Confident	95	Very high	64 Å²	64	38.7 Å²	38.7	28%	0.281	23%	0.225	S	C	.	.			trans	-75.8	131	175.1	-61.6	-78.8	0	0	0	110.8	D106 I116	F102-D106 HydrophobicContact CB-CB 4.05Å; F102-I116 HydrophobicContact CB-CD1 3.87Å; F102-I116 HydrophobicContact CB-CG1 3.85Å; F102-I116 HydrophobicContact CD2-CG1 4.47Å; F102-I116 HydrophobicContact CG-CG1 4.44Å
103	T	89.6	Confident	95	Very high	99 Å²	99	38.9 Å²	38.9	61%	0.607	22%	0.218	S	C	*	.			trans	-140.4	176.1	-178.4	65.4	0	0	0	0	110.2	I101 F105	I101-T103 HydrophobicContact CG2-CG2 3.98Å; T103-F105 PolarHBondContact O-N 3.46Å
104	G	91.1	Very high	94.9	Very high	39 Å²	39	36 Å²	36	40%	0.402	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	-127.3	176.4	0	0	0	0	0	112.5	D106 A107 V108	G104-D106 VanDerWaalsContact C-N 3.28Å; G104-D106 PolarHBondContact O-N 3.4Å; G104-A107 PolarHBondContact O-N 2.65Å; G104-A107 VanDerWaalsContact O-N 3.15Å; G104-V108 WeakPolarHBondContact O-CG2 3.41Å; G104-V108 PolarHBondContact O-N 2.65Å
105	F	93	Very high	94.8	Very high	23 Å²	23	37.7 Å²	37.7	10%	0.101	21%	0.208	C	C	.	.	H	α-helix	trans	-51.2	-47.1	-177.2	173.7	-92.9	0	0	0	111.9	T103 A107 V108 N109 L418 G422 V424 M545	T103-F105 PolarHBondContact O-N 3.46Å; F105-A107 VanDerWaalsContact C-N 3.28Å; F105-A107 PolarHBondContact O-N 3.49Å; F105-V108 PolarHBondContact O-N 3.19Å; F105-N109 HydrophobicContact CD1-CB 4.43Å; F105-N109 HydrophobicContact CD2-CB 4.17Å; F105-N109 HydrophobicContact CE1-CB 3.95Å; F105-N109 HydrophobicContact CE2-CB 3.64Å; F105-N109 HydrophobicContact CZ-CB 3.51Å; F105-N109 PolarHBondContact O-N 2.85Å; F105-L418 HydrophobicContact CB-CB 4.37Å; F105-L418 HydrophobicContact CD1-CD1 3.97Å; F105-L418 HydrophobicContact CD1-CD2 4.37Å; F105-L418 HydrophobicContact CD2-CB 3.97Å; F105-L418 HydrophobicContact CD2-CD2 4.2Å; F105-L418 HydrophobicContact CE1-CD1 4.28Å; F105-L418 HydrophobicContact CE1-CD2 4.06Å; F105-L418 HydrophobicContact CE2-CB 4.47Å; F105-L418 HydrophobicContact CE2-CD2 3.88Å; F105-L418 HydrophobicContact CG-CB 4.05Å; F105-L418 HydrophobicContact CG-CD1 4.21Å; F105-L418 HydrophobicContact CG-CD2 4.45Å; F105-L418 HydrophobicContact CG-CG 4.48Å; F105-L418 HydrophobicContact CZ-CD2 3.81Å; F105-G422 WeakPolarHBondContact CE2-O 3.46Å; F105-V424 HydrophobicContact CE2-CG2 3.41Å; F105-V424 VanDerWaalsContact CE2-CG2 3.41Å; F105-V424 HydrophobicContact CZ-CG2 3.51Å; F105-M545 HydrophobicContact CE1-CE 4.49Å; F105-M545 HydrophobicContact CZ-CE 4.21Å; F105-M545 HydrophobicContact CZ-SD 3.97Å
106	D	90.8	Very high	94.7	Very high	43 Å²	43	38.2 Å²	38.2	23%	0.23	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-35.5	-175.9	-60.4	-40.5	0	0	0	112.3	F102 G104 V108 G112 K113 I116	F102-D106 HydrophobicContact CB-CB 4.05Å; G104-D106 VanDerWaalsContact C-N 3.28Å; G104-D106 PolarHBondContact O-N 3.4Å; D106-V108 VanDerWaalsContact C-N 3.29Å; D106-V108 PolarHBondContact O-N 3.22Å; D106-G112 CarbonylContact O-C 3.49Å; D106-K113 WeakPolarHBondContact O-CA 3.45Å; D106-K113 WeakPolarHBondContact O-CB 3.28Å; D106-K113 PolarHBondContact O-N 3.42Å; D106-I116 HydrophobicContact CB-CD1 4.09Å
107	A	92.5	Very high	94.6	Very high	46 Å²	46	40 Å²	40	38%	0.38	22%	0.219	S	C	.	.	H	α-helix	trans	-75.5	-19.9	180	0	0	0	0	0	113.1	G104 F105 I116	G104-A107 PolarHBondContact O-N 2.65Å; G104-A107 VanDerWaalsContact O-N 3.15Å; F105-A107 VanDerWaalsContact C-N 3.28Å; F105-A107 PolarHBondContact O-N 3.49Å; A107-I116 HydrophobicContact CB-CD1 4.28Å
108	V	94.8	Very high	94.4	Very high	85 Å²	85	43.6 Å²	43.6	52%	0.515	24%	0.238	S	C	.	.	H	α-helix	trans	-104.6	-43.8	-172.4	179.5	0	0	0	0	112.1	G104 F105 D106 N421	G104-V108 WeakPolarHBondContact O-CG2 3.41Å; G104-V108 PolarHBondContact O-N 2.65Å; F105-V108 PolarHBondContact O-N 3.19Å; D106-V108 VanDerWaalsContact C-N 3.29Å; D106-V108 PolarHBondContact O-N 3.22Å; V108-N421 WeakPolarHBondContact CG1-O 3.31Å
109	N	95.7	Very high	94.4	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.064	24%	0.236	C	C	.	.	S	Bend	trans	-82.4	125.6	177.9	-172.7	-59	0	0	0	110.1	F105 A111 G112 K113 G422 P544	F105-N109 HydrophobicContact CD1-CB 4.43Å; F105-N109 HydrophobicContact CD2-CB 4.17Å; F105-N109 HydrophobicContact CE1-CB 3.95Å; F105-N109 HydrophobicContact CE2-CB 3.64Å; F105-N109 HydrophobicContact CZ-CB 3.51Å; F105-N109 PolarHBondContact O-N 2.85Å; N109-A111 PolarHBondContact O-N 3.3Å; N109-A111 VanDerWaalsContact O-N 3.16Å; N109-A111 WeakPolarHBondContact OD1-CB 3.37Å; N109-A111 PolarHBondContact OD1-N 3.48Å; N109-G112 PolarHBondContact O-N 2.84Å; N109-K113 WeakPolarHBondContact O-CB 3.36Å; N109-K113 PolarHBondContact O-N 3.44Å; N109-G422 PolarHBondContact ND2-O 2.6Å; N109-P544 PolarHBondContact ND2-O 2.99Å
110	A	96.2	Very high	94.3	Very high	19 Å²	19	49.4 Å²	49.4	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-27.8	-177.1	0	0	0	0	0	114.5	G112 K113 M114 P544 F573	A110-G112 VanDerWaalsContact C-N 3.35Å; A110-K113 PolarHBondContact O-N 2.66Å; A110-M114 PolarHBondContact O-N 2.74Å; A110-P544 HydrophobicContact CB-CG 3.96Å; A110-F573 HydrophobicContact CB-CB 4.15Å; A110-F573 HydrophobicContact CB-CD1 4.38Å; A110-F573 VanDerWaalsContact CB-O 3.3Å; A110-F573 WeakPolarHBondContact CB-O 3.46Å
111	A	94.6	Very high	94.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.3	-29.3	174.8	0	0	0	0	0	113.1	N109 W115 L543 P544 M545 Y555	N109-A111 PolarHBondContact O-N 3.3Å; N109-A111 VanDerWaalsContact O-N 3.16Å; N109-A111 WeakPolarHBondContact OD1-CB 3.37Å; N109-A111 PolarHBondContact OD1-N 3.48Å; A111-W115 VanDerWaalsContact O-CD1 3.22Å; A111-W115 PolarHBondContact O-NE1 3.07Å; A111-W115 VanDerWaalsContact O-NE1 3.11Å; A111-L543 HydrophobicContact CB-CD1 4.02Å; A111-P544 HydrophobicContact CB-CG 3.93Å; A111-M545 HydrophobicContact CB-CG 3.66Å; A111-M545 HydrophobicContact CB-SD 4.05Å; A111-Y555 WeakPolarHBondContact CB-OH 3.04Å; A111-Y555 PolarHBondContact O-OH 3.25Å
112	G	93.4	Very high	94.7	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-84.4	-40.6	170.3	0	0	0	0	0	111.8	D106 N109 A110 M114 W115	D106-G112 CarbonylContact O-C 3.49Å; N109-G112 PolarHBondContact O-N 2.84Å; A110-G112 VanDerWaalsContact C-N 3.35Å; G112-M114 VanDerWaalsContact C-N 3.26Å; G112-M114 PolarHBondContact O-N 3.4Å; G112-W115 PolarHBondContact O-N 2.98Å; G112-W115 VanDerWaalsContact O-N 3.12Å
113	K	95.9	Very high	95.2	Very high	95 Å²	95	44.7 Å²	44.7	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-33	-172.6	-168.3	-176.4	174.3	-174.7	0	113.1	D106 N109 A110 W115 I116 F573	D106-K113 WeakPolarHBondContact O-CA 3.45Å; D106-K113 WeakPolarHBondContact O-CB 3.28Å; D106-K113 PolarHBondContact O-N 3.42Å; N109-K113 WeakPolarHBondContact O-CB 3.36Å; N109-K113 PolarHBondContact O-N 3.44Å; A110-K113 PolarHBondContact O-N 2.66Å; K113-W115 PolarHBondContact O-N 3.5Å; K113-W115 VanDerWaalsContact O-N 3.16Å; K113-I116 WeakPolarHBondContact O-CB 3.35Å; K113-I116 PolarHBondContact O-N 3.15Å; K113-I116 VanDerWaalsContact O-N 3.12Å; K113-F573 HydrophobicContact CB-CD1 4.42Å; K113-F573 HydrophobicContact CB-CE1 4.19Å; K113-F573 HydrophobicContact CD-CE1 4.32Å; K113-F573 HydrophobicContact CG-CE1 4.1Å
114	M	96.4	Very high	95.6	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.02	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.4	179.8	68.3	179.3	-70.4	0	0	113.9	A110 G112 V162 Y555 F569 F573 Y574	A110-M114 PolarHBondContact O-N 2.74Å; G112-M114 VanDerWaalsContact C-N 3.26Å; G112-M114 PolarHBondContact O-N 3.4Å; M114-V162 HydrophobicContact CE-CB 3.81Å; M114-V162 HydrophobicContact CE-CG1 4.11Å; M114-V162 HydrophobicContact CE-CG2 3.59Å; M114-Y555 HydrophobicContact SD-CE1 4.29Å; M114-F569 HydrophobicContact CB-CE2 4.44Å; M114-F569 HydrophobicContact CE-CE2 3.95Å; M114-F569 HydrophobicContact CE-CZ 3.87Å; M114-F569 HydrophobicContact SD-CZ 4.31Å; M114-F573 VanDerWaalsContact CA-CE1 3.43Å; M114-F573 HydrophobicContact CB-CD1 3.82Å; M114-F573 HydrophobicContact CB-CD2 4.42Å; M114-F573 HydrophobicContact CB-CE1 3.84Å; M114-F573 HydrophobicContact CB-CE2 4.44Å; M114-F573 HydrophobicContact CB-CG 4.13Å; M114-F573 HydrophobicContact CB-CZ 4.16Å; M114-Y574 HydrophobicContact SD-CE1 4.03Å; M114-Y574 PolarHBondContact SD-OH 3.04Å; M114-Y574 VanDerWaalsContact SD-OH 3.36Å
115	W	96.4	Very high	96	Very high	42 Å²	42	39.5 Å²	39.5	16%	0.159	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.4	179.4	-51.9	114.6	0	0	0	113.6	A111 G112 K113 L160 V162 Y163 I557	A111-W115 VanDerWaalsContact O-CD1 3.22Å; A111-W115 PolarHBondContact O-NE1 3.07Å; A111-W115 VanDerWaalsContact O-NE1 3.11Å; G112-W115 PolarHBondContact O-N 2.98Å; G112-W115 VanDerWaalsContact O-N 3.12Å; K113-W115 PolarHBondContact O-N 3.5Å; K113-W115 VanDerWaalsContact O-N 3.16Å; W115-L160 HydrophobicContact CE3-CD1 4.23Å; W115-V162 HydrophobicContact CE3-CG1 4.38Å; W115-V162 HydrophobicContact CH2-CG1 4.4Å; W115-V162 HydrophobicContact CZ3-CG1 3.77Å; W115-Y163 HydrophobicContact CZ3-CE1 4.17Å; W115-Y163 WeakPolarHBondContact CZ3-OH 3.34Å; W115-I557 HydrophobicContact CH2-CD1 4.17Å; W115-I557 HydrophobicContact CZ3-CD1 4.34Å
116	I	96.3	Very high	96.2	Very high	34 Å²	34	38.5 Å²	38.5	17%	0.174	21%	0.208	C	C	.	.	S	Bend	trans	-78	138.2	178.2	-56.4	-175	0	0	0	109.5	F102 D106 A107 K113 N118 L160	F102-I116 HydrophobicContact CB-CD1 3.87Å; F102-I116 HydrophobicContact CB-CG1 3.85Å; F102-I116 HydrophobicContact CD2-CG1 4.47Å; F102-I116 HydrophobicContact CG-CG1 4.44Å; D106-I116 HydrophobicContact CB-CD1 4.09Å; A107-I116 HydrophobicContact CB-CD1 4.28Å; K113-I116 WeakPolarHBondContact O-CB 3.35Å; K113-I116 PolarHBondContact O-N 3.15Å; K113-I116 VanDerWaalsContact O-N 3.12Å; I116-N118 PolarHBondContact O-N 3.29Å; I116-L160 WeakPolarHBondContact O-CD2 3.26Å
117	N	96.3	Very high	96.6	Very high	36 Å²	36	37.5 Å²	37.5	19%	0.193	20%	0.201	C	C	.	.			trans	-53.8	133	176.2	66.2	-71.6	0	0	0	111.9	T96 T119	T96-N117 HydrophobicContact CG2-CB 3.71Å; N117-T119 PolarHBondContact ND2-O 3.02Å
118	N	95.2	Very high	96.9	Very high	79 Å²	79	35.3 Å²	35.3	42%	0.422	18%	0.183	S	C	.	.	S	Bend	trans	-104.6	3.8	-178.5	63.1	-9.3	0	0	0	113.4	I116 N159	I116-N118 PolarHBondContact O-N 3.29Å; N118-N159 PolarHBondContact ND2-O 3.31Å; N118-N159 WeakPolarHBondContact OD1-CB 3.43Å; N118-N159 PolarHBondContact OD1-O 2.58Å
119	T	97.8	Very high	97.1	Very high	27 Å²	27	31.3 Å²	31.3	17%	0.166	16%	0.158	C	C	.	.	S	Bend	trans	-124.3	159.6	172.7	48.3	0	0	0	0	110.2	L93 S94 T96 N117 N159	L93-T119 HydrophobicContact CB-CG2 3.9Å; S94-T119 WeakPolarHBondContact O-CB 3.25Å; S94-T119 PolarHBondContact O-OG1 2.88Å; T96-T119 PolarHBondContact N-OG1 3.32Å; T96-T119 PolarHBondContact OG1-OG1 3Å; N117-T119 PolarHBondContact ND2-O 3.02Å; T119-N159 HydrophobicContact CG2-CB 4.33Å; T119-N159 PolarHBondContact OG1-ND2 3.35Å
120	E	97	Very high	97.3	Very high	151 Å²	151	30.7 Å²	30.7	71%	0.706	16%	0.155	S	C	*	.			trans	-55.6	149.9	175.2	66.8	-176.4	170.6	0	0	111.8	P95 T96	P95-E120 CarbonylContact C-O 3.54Å; P95-E120 VanDerWaalsContact CA-O 3.3Å; P95-E120 WeakPolarHBondContact CA-O 3.33Å; P95-E120 HydrophobicContact CB-CG 4.18Å; P95-E120 WeakPolarHBondContact CB-O 3.39Å; P95-E120 HydrophobicContact CG-CG 4.25Å; T96-E120 PolarHBondContact N-O 3.3Å
121	M	98.3	Very high	97.3	Very high	41 Å²	41	30.2 Å²	30.2	20%	0.202	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.1	175.6	-71.6	-173.2	-72.7	0	0	111.2	T96 W98 Q99 I101	T96-M121 CarbonylContact O-C 3.56Å; T96-M121 VanDerWaalsContact O-CA 3.25Å; T96-M121 WeakPolarHBondContact O-CA 3.4Å; W98-M121 HydrophobicContact CD2-CB 4Å; W98-M121 HydrophobicContact CE3-CB 4.04Å; W98-M121 HydrophobicContact CE3-CE 4Å; W98-M121 HydrophobicContact CE3-SD 3.99Å; W98-M121 HydrophobicContact CG-CB 4.48Å; W98-M121 HydrophobicContact CZ3-CB 4.33Å; W98-M121 HydrophobicContact CZ3-CE 3.81Å; W98-M121 HydrophobicContact CZ3-SD 4.41Å; Q99-M121 HydrophobicContact CG-SD 3.85Å; I101-M121 HydrophobicContact CD1-CE 4.18Å; I101-M121 HydrophobicContact CG1-CE 3.83Å
122	S	98.5	Very high	97.4	Very high	35 Å²	35	30.6 Å²	30.6	25%	0.245	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.2	175.7	-173.3	0	0	0	0	110.7	T96 C97 W98 D124 C125	T96-S122 PolarHBondContact O-N 2.97Å; C97-S122 WeakPolarHBondContact CA-O 3.49Å; W98-S122 PolarHBondContact N-O 2.88Å; S122-D124 VanDerWaalsContact C-N 3.32Å; S122-D124 PolarHBondContact OG-N 3.15Å; S122-D124 VanDerWaalsContact OG-N 3.08Å; S122-C125 WeakPolarHBondContact O-CB 3.08Å
123	E	98.7	Very high	97.3	Very high	25 Å²	25	30.8 Å²	30.8	12%	0.117	15%	0.153	C	C	.	.	S	Bend	trans	-77	-26.1	165.4	-69.5	-174.4	88.3	0	0	111.5	P69 I70 R74 W98 C125 F186 P312	P69-E123 VanDerWaalsContact CD-O 3.25Å; P69-E123 WeakPolarHBondContact CD-O 3.48Å; P69-E123 WeakPolarHBondContact CG-O 3.42Å; I70-E123 HydrophobicContact CG2-CB 3.62Å; R74-E123 WeakPolarHBondContact CG-OE1 3.42Å; R74-E123 IonicContact CZ-OE1 3.8Å; R74-E123 IonicContact CZ-OE2 3.44Å; R74-E123 IonicContact NE-OE1 2.72Å; R74-E123 PolarHBondContact NE-OE1 2.78Å; R74-E123 IonicContact NE-OE2 3.48Å; R74-E123 PolarHBondContact NE-OE2 3.47Å; R74-E123 VanDerWaalsContact NH2-CD 3.31Å; R74-E123 IonicContact NH2-OE1 3.55Å; R74-E123 PolarHBondContact NH2-OE1 2.66Å; R74-E123 IonicContact NH2-OE2 2.68Å; R74-E123 PolarHBondContact NH2-OE2 2.9Å; W98-E123 VanDerWaalsContact CD1-N 3.33Å; E123-C125 PolarHBondContact O-N 3.5Å; E123-F186 HydrophobicContact CG-CD1 4.46Å; E123-F186 HydrophobicContact CG-CE1 4.22Å; E123-P312 HydrophobicContact CG-CB 4.47Å; E123-P312 HydrophobicContact CG-CG 4.03Å
124	D	98.5	Very high	96.6	Very high	29 Å²	29	32.1 Å²	32.1	16%	0.155	16%	0.158	C	C	.	.			trans	-75.2	75.6	166.6	-178.8	15.1	0	0	0	108.8	K68 S122 Y127	K68-D124 HydrophobicContact CB-CB 4.43Å; K68-D124 HydrophobicContact CD-CB 4.16Å; K68-D124 VanDerWaalsContact CD-CG 3.43Å; K68-D124 VanDerWaalsContact CD-OD2 3.23Å; K68-D124 WeakPolarHBondContact CD-OD2 3.23Å; K68-D124 WeakPolarHBondContact CE-OD2 3.33Å; K68-D124 HydrophobicContact CG-CB 4.39Å; K68-D124 WeakPolarHBondContact CG-OD1 3.48Å; K68-D124 IonicContact NZ-OD2 2.68Å; K68-D124 PolarHBondContact NZ-OD2 2.85Å; S122-D124 VanDerWaalsContact C-N 3.32Å; S122-D124 PolarHBondContact OG-N 3.15Å; S122-D124 VanDerWaalsContact OG-N 3.08Å; D124-Y127 VanDerWaalsContact CG-OH 3.3Å; D124-Y127 WeakPolarHBondContact O-CE2 3.4Å; D124-Y127 VanDerWaalsContact OD1-CE2 3.27Å; D124-Y127 WeakPolarHBondContact OD1-CE2 3.49Å; D124-Y127 PolarHBondContact OD1-OH 3.27Å; D124-Y127 PolarHBondContact OD2-OH 2.83Å
125	C	98.8	Very high	95.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	17%	0.169	C	C	.	.			trans	-127.3	-1	-174.2	66.8	0	0	0	0	114	C97 S122 E123 Y127 Q180	C97-C125 WeakPolarHBondContact CA-SG 3.39Å; C97-C125 HydrophobicContact CB-CB 3.86Å; C97-C125 WeakPolarHBondContact CB-SG 3.38Å; C97-C125 WeakPolarHBondContact SG-CB 3.4Å; C97-C125 CovalentContact SG-SG 2.04Å; C97-C125 PolarHBondContact SG-SG 3.35Å; S122-C125 WeakPolarHBondContact O-CB 3.08Å; E123-C125 PolarHBondContact O-N 3.5Å; C125-Y127 VanDerWaalsContact C-CD2 3.43Å; C125-Y127 VanDerWaalsContact C-N 3.28Å; C125-Y127 PolarHBondContact O-N 3.37Å; C125-Q180 WeakPolarHBondContact O-CB 3.39Å; C125-Q180 VanDerWaalsContact O-CG 3.28Å; C125-Q180 WeakPolarHBondContact O-CG 3.44Å
126	L	98.9	Very high	93.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	18%	0.184	C	C	.	.			trans	-79.3	71.3	-174.9	-58.3	-173.9	0	0	0	113.2	Y65 A66 P69 P78 R182 D211	Y65-L126 WeakPolarHBondContact CD1-O 3.28Å; Y65-L126 HydrophobicContact CE1-CB 4.2Å; Y65-L126 HydrophobicContact CE2-CB 4.3Å; Y65-L126 PolarHBondContact N-O 3.14Å; A66-L126 HydrophobicContact CB-CB 3.92Å; A66-L126 HydrophobicContact CB-CD1 3.64Å; A66-L126 HydrophobicContact CB-CG 4.44Å; P69-L126 HydrophobicContact CB-CD1 4.16Å; P69-L126 HydrophobicContact CG-CD1 3.78Å; P69-L126 HydrophobicContact CG-CG 3.88Å; P78-L126 HydrophobicContact CB-CD1 4.26Å; L126-R182 HydrophobicContact CD2-CG 4.13Å; L126-D211 HydrophobicContact CD2-CB 4.07Å; L126-D211 WeakPolarHBondContact CD2-OD2 3.29Å
127	Y	98.9	Very high	91.6	Very high	22 Å²	22	39.7 Å²	39.7	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	160.3	179.6	-59.3	-96.2	0	0	0	111.6	G62 I63 P64 Y65 Y88 S94 D124 C125 Q180	G62-Y127 WeakPolarHBondContact O-CD1 3.34Å; I63-Y127 CarbonylContact O-C 3.13Å; I63-Y127 VanDerWaalsContact O-CA 3.23Å; I63-Y127 WeakPolarHBondContact O-CA 3.34Å; P64-Y127 HydrophobicContact CB-CD1 3.81Å; P64-Y127 HydrophobicContact CB-CE1 3.63Å; P64-Y127 HydrophobicContact CG-CD1 4.41Å; P64-Y127 HydrophobicContact CG-CE1 4.17Å; Y65-Y127 WeakPolarHBondContact CE1-O 3.23Å; Y88-Y127 WeakPolarHBondContact OH-CE1 3.39Å; S94-Y127 VanDerWaalsContact CB-CB 3.43Å; S94-Y127 VanDerWaalsContact CB-CD2 3.47Å; S94-Y127 VanDerWaalsContact CB-CG 3.45Å; S94-Y127 WeakPolarHBondContact OG-CB 3.18Å; D124-Y127 VanDerWaalsContact CG-OH 3.3Å; D124-Y127 WeakPolarHBondContact O-CE2 3.4Å; D124-Y127 VanDerWaalsContact OD1-CE2 3.27Å; D124-Y127 WeakPolarHBondContact OD1-CE2 3.49Å; D124-Y127 PolarHBondContact OD1-OH 3.27Å; D124-Y127 PolarHBondContact OD2-OH 2.83Å; C125-Y127 VanDerWaalsContact C-CD2 3.43Å; C125-Y127 VanDerWaalsContact C-N 3.28Å; C125-Y127 PolarHBondContact O-N 3.37Å; Y127-Q180 PolarHBondContact O-N 3.23Å
128	L	98.9	Very high	90.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.6	173.1	60.4	80.8	0	0	0	111.8	G62 I63 Y65 V130 V177 S178 M179 A215 W218	G62-L128 PolarHBondContact N-O 2.66Å; I63-L128 HydrophobicContact CB-CD1 3.91Å; I63-L128 HydrophobicContact CB-CG 4.39Å; I63-L128 HydrophobicContact CD1-CD1 4.01Å; I63-L128 HydrophobicContact CG1-CD1 4.35Å; I63-L128 PolarHBondContact N-O 3.17Å; I63-L128 PolarHBondContact O-N 3.47Å; Y65-L128 HydrophobicContact CD1-CB 4.06Å; Y65-L128 HydrophobicContact CD1-CD2 3.9Å; Y65-L128 HydrophobicContact CD1-CG 4.07Å; Y65-L128 HydrophobicContact CG-CD2 4.07Å; L128-V130 HydrophobicContact CD1-CG2 3.75Å; L128-V177 HydrophobicContact CD1-CG1 4.42Å; L128-S178 CarbonylContact C-O 3.52Å; L128-S178 WeakPolarHBondContact CA-O 3.25Å; L128-S178 WeakPolarHBondContact CB-O 3.47Å; L128-M179 HydrophobicContact CB-CB 3.92Å; L128-A215 HydrophobicContact CD2-CB 4.36Å; L128-W218 HydrophobicContact CD1-CD2 4.46Å; L128-W218 HydrophobicContact CD1-CE3 3.93Å; L128-W218 HydrophobicContact CD1-CH2 3.87Å; L128-W218 HydrophobicContact CD1-CZ2 4.39Å; L128-W218 HydrophobicContact CD1-CZ3 3.61Å; L128-W218 HydrophobicContact CD2-CB 4.36Å; L128-W218 HydrophobicContact CD2-CD2 3.71Å; L128-W218 HydrophobicContact CD2-CE3 3.43Å; L128-W218 VanDerWaalsContact CD2-CE3 3.43Å; L128-W218 HydrophobicContact CD2-CG 4.1Å; L128-W218 HydrophobicContact CD2-CZ3 4.02Å; L128-W218 HydrophobicContact CG-CE3 4.31Å; L128-W218 HydrophobicContact CG-CZ3 4.48Å
129	N	98.8	Very high	89.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.6	176.9	-53.5	-53.5	0	0	0	109.1	F60 L61 G62 W131 N159 V177 S178	F60-N129 CarbonylContact O-C 3.31Å; F60-N129 VanDerWaalsContact O-CA 3.31Å; F60-N129 WeakPolarHBondContact O-CA 3.03Å; L61-N129 WeakPolarHBondContact CA-OD1 3.23Å; L61-N129 HydrophobicContact CD2-CB 3.99Å; G62-N129 PolarHBondContact N-OD1 3.17Å; N129-W131 HydrophobicContact CB-CE3 4.36Å; N129-W131 HydrophobicContact CB-CH2 3.47Å; N129-W131 VanDerWaalsContact CB-CH2 3.47Å; N129-W131 HydrophobicContact CB-CZ2 4.14Å; N129-W131 HydrophobicContact CB-CZ3 3.6Å; N129-N159 PolarHBondContact ND2-OD1 3.47Å; N129-V177 CarbonylContact O-C 3.25Å; N129-V177 VanDerWaalsContact O-CA 3.23Å; N129-V177 WeakPolarHBondContact O-CA 3.37Å; N129-S178 PolarHBondContact N-O 3.25Å; N129-S178 PolarHBondContact ND2-OG 3.38Å; N129-S178 PolarHBondContact O-N 2.77Å
130	V	98.6	Very high	88.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.7	176.6	-174.9	0	0	0	0	109.5	F60 I63 L128 I175 I176 V177 W218 I223 F226	F60-V130 HydrophobicContact CB-CB 4.33Å; F60-V130 PolarHBondContact N-O 2.72Å; F60-V130 PolarHBondContact O-N 2.94Å; I63-V130 HydrophobicContact CD1-CG2 4.04Å; L128-V130 HydrophobicContact CD1-CG2 3.75Å; V130-I175 HydrophobicContact CG1-CG2 3.81Å; V130-I176 CarbonylContact C-O 3.5Å; V130-I176 WeakPolarHBondContact CA-O 3.01Å; V130-V177 HydrophobicContact CG1-CG2 4.46Å; V130-V177 HydrophobicContact CG2-CG1 4.5Å; V130-V177 HydrophobicContact CG2-CG2 4.27Å; V130-W218 HydrophobicContact CG2-CH2 4.31Å; V130-W218 HydrophobicContact CG2-CZ3 4.24Å; V130-I223 HydrophobicContact CG1-CD1 4.16Å; V130-F226 HydrophobicContact CB-CD1 4.37Å; V130-F226 HydrophobicContact CB-CE1 4.41Å; V130-F226 HydrophobicContact CG1-CB 4.41Å; V130-F226 HydrophobicContact CG1-CD1 3.87Å; V130-F226 HydrophobicContact CG1-CE1 4.39Å; V130-F226 HydrophobicContact CG1-CG 4.19Å
131	W	98	Very high	88.4	Confident	8 Å²	8	44.4 Å²	44.4	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.9	167.9	-61	-98.1	0	0	0	109.2	V57 N58 L61 N129 S169 I175 I176 S178	V57-W131 HydrophobicContact CG2-CB 4.27Å; N58-W131 WeakPolarHBondContact O-CA 3.27Å; L61-W131 HydrophobicContact CD2-CH2 4.49Å; L61-W131 HydrophobicContact CD2-CZ2 3.75Å; N129-W131 HydrophobicContact CB-CE3 4.36Å; N129-W131 HydrophobicContact CB-CH2 3.47Å; N129-W131 VanDerWaalsContact CB-CH2 3.47Å; N129-W131 HydrophobicContact CB-CZ2 4.14Å; N129-W131 HydrophobicContact CB-CZ3 3.6Å; W131-S169 PolarHBondContact O-OG 2.81Å; W131-I175 WeakPolarHBondContact O-CA 3.2Å; W131-I175 WeakPolarHBondContact O-CG2 3.48Å; W131-I176 HydrophobicContact CB-CB 4.47Å; W131-I176 HydrophobicContact CE3-CB 4.14Å; W131-I176 HydrophobicContact CE3-CG2 4Å; W131-I176 HydrophobicContact CZ3-CG2 4.3Å; W131-I176 PolarHBondContact N-O 3.23Å; W131-I176 PolarHBondContact O-N 2.87Å; W131-S178 WeakPolarHBondContact CZ3-OG 3.34Å
132	T	96.1	Very high	88.3	Confident	8 Å²	8	42.8 Å²	42.8	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.4	179.6	178.2	0	0	0	0	109.8	V57 N58 F60 F226	V57-T132 WeakPolarHBondContact CG2-O 3.27Å; N58-T132 HydrophobicContact CB-CG2 3.73Å; N58-T132 PolarHBondContact N-O 2.96Å; N58-T132 PolarHBondContact O-N 3.29Å; F60-T132 HydrophobicContact CE2-CG2 3.94Å; T132-F226 PolarHBondContact OG1-O 2.98Å
133	P	92.1	Very high	88.2	Confident	8 Å²	8	41.6 Å²	41.6	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	159.7	176.2	32.3	-35.3	0	0	0	109.4	S135 L142 S169 N173	P133-S135 PolarHBondContact O-N 3.34Å; P133-L142 HydrophobicContact CG-CD1 3.31Å; P133-S169 VanDerWaalsContact CD-OG 3.28Å; P133-S169 WeakPolarHBondContact CD-OG 3.41Å; P133-N173 VanDerWaalsContact CG-OD1 3.29Å; P133-N173 WeakPolarHBondContact CG-OD1 3.44Å
134	K	80.6	Confident	88.2	Confident	122 Å²	122	40.4 Å²	40.4	53%	0.53	23%	0.227	S	C	.	.			trans	-72.8	92.2	173.8	-170.8	170.8	-169.9	155.3	0	110.5	E45 K56	E45-K134 IonicContact OE2-NZ 2.87Å; E45-K134 PolarHBondContact OE2-NZ 2.75Å; K56-K134 HydrophobicContact CB-CB 4.36Å; K56-K134 HydrophobicContact CB-CD 4.11Å; K56-K134 HydrophobicContact CD-CD 4.13Å
135	S	67.4	Low	88.2	Confident	35 Å²	35	39 Å²	39	25%	0.245	22%	0.22	C	C	.	.			trans	-97.2	147.2	173.4	-59	0	0	0	0	111.5	P133	P133-S135 PolarHBondContact O-N 3.34Å
136	S	56.1	Low	88.2	Confident	69 Å²	69	39 Å²	39	48%	0.483	22%	0.22	S	C	.	.			trans	-69.6	152.5	166.5	59.3	0	0	0	0	109.4	D138 S139 H227	S136-D138 PolarHBondContact O-N 3.03Å; S136-D138 VanDerWaalsContact O-N 3.1Å; S136-S139 PolarHBondContact N-OG 2.89Å; S136-S139 WeakPolarHBondContact O-CB 3.25Å; S136-S139 PolarHBondContact O-N 2.82Å; S136-S139 PolarHBondContact O-OG 3.06Å; S136-S139 VanDerWaalsContact O-OG 3.11Å; S136-S139 PolarHBondContact OG-OG 3.36Å; S136-H227 PolarHBondContact O-NE2 3.38Å
137	V	60.9	Low	88.2	Confident	135 Å²	135	38.9 Å²	38.9	82%	0.818	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.4	176	179.3	0	0	0	0	112.1	S139	V137-S139 VanDerWaalsContact C-N 3.29Å
138	D	67.2	Low	88.2	Confident	152 Å²	152	37.9 Å²	37.9	81%	0.813	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	0.5	177.7	-52.7	-50.9	0	0	0	113.7	S136	S136-D138 PolarHBondContact O-N 3.03Å; S136-D138 VanDerWaalsContact O-N 3.1Å
139	S	74.1	Confident	88.2	Confident	35 Å²	35	37.9 Å²	37.9	25%	0.245	22%	0.215	C	C	.	.	S	Bend	trans	-69.9	154.1	176.6	-65.2	0	0	0	0	110.3	S136 V137 H227	S136-S139 PolarHBondContact N-OG 2.89Å; S136-S139 WeakPolarHBondContact O-CB 3.25Å; S136-S139 PolarHBondContact O-N 2.82Å; S136-S139 PolarHBondContact O-OG 3.06Å; S136-S139 VanDerWaalsContact O-OG 3.11Å; S136-S139 PolarHBondContact OG-OG 3.36Å; V137-S139 VanDerWaalsContact C-N 3.29Å; S139-H227 PolarHBondContact O-CE1 3.29Å; S139-H227 PolarHBondContact O-NE2 3.27Å
140	P	84.9	Confident	88.2	Confident	104 Å²	104	37.9 Å²	37.9	68%	0.675	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-68.1	148.6	168.4	28.8	-34.1	0	0	0	110.6	L142 H227	P140-L142 PolarHBondContact O-N 2.85Å; P140-H227 VanDerWaalsContact C-CE1 3.43Å; P140-H227 PolarHBondContact O-CE1 2.85Å
141	H	92.1	Very high	88.2	Confident	101 Å²	101	39.2 Å²	39.2	47%	0.468	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-53.9	139.7	172.7	-75.3	178.9	0	0	0	111.2	H227 D229	H141-H227 WeakPolarHBondContact CA-O 3.47Å; H141-H227 AromaticContact CD2-CE1 3.82Å; H141-H227 AromaticContact CD2-ND1 3.59Å; H141-D229 HydrophobicContact CB-CB 3.84Å
142	L	95.5	Very high	88.1	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	146.8	-172.2	-61.1	-179.9	0	0	0	111.7	P133 P140 I175 H227 G228 D229	P133-L142 HydrophobicContact CG-CD1 3.31Å; P140-L142 PolarHBondContact O-N 2.85Å; L142-I175 HydrophobicContact CB-CG1 4.2Å; L142-I175 HydrophobicContact CD1-CG1 4.31Å; L142-H227 PolarHBondContact N-O 3.22Å; L142-G228 CarbonylContact O-C 3.58Å; L142-G228 WeakPolarHBondContact O-CA 3.42Å; L142-D229 PolarHBondContact O-N 2.99Å
143	P	97.2	Very high	88.2	Confident	11 Å²	11	38.8 Å²	38.8	7%	0.071	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	145.5	167.8	-26.1	38.6	0	0	0	111.6	I175 Q232 K596	P143-I175 PolarHBondContact O-N 3.06Å; P143-Q232 HydrophobicContact CB-CB 4.34Å; P143-K596 HydrophobicContact CB-CG 4.37Å; P143-K596 HydrophobicContact CG-CB 4.26Å; P143-K596 HydrophobicContact CG-CG 3.75Å
144	V	98.8	Very high	88.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.6	-176	-175.3	0	0	0	0	108.4	V146 I175 V177 V219 I223 Q232 V233 T234	V144-V146 HydrophobicContact CG1-CG2 3.99Å; V144-I175 CarbonylContact C-O 3.52Å; V144-I175 WeakPolarHBondContact CA-O 3.04Å; V144-I175 HydrophobicContact CG1-CG2 4.37Å; V144-I175 HydrophobicContact CG2-CB 4.34Å; V144-V177 HydrophobicContact CG1-CG2 3.85Å; V144-V219 HydrophobicContact CG1-CG1 4.28Å; V144-I223 HydrophobicContact CG1-CD1 4.44Å; V144-I223 HydrophobicContact CG1-CG1 3.99Å; V144-I223 HydrophobicContact CG2-CG1 3.7Å; V144-I223 HydrophobicContact CG2-CG2 4.13Å; V144-Q232 PolarHBondContact N-O 3.3Å; V144-V233 HydrophobicContact CB-CG2 4.11Å; V144-V233 CarbonylContact O-C 3.53Å; V144-V233 WeakPolarHBondContact O-CA 3.43Å; V144-T234 PolarHBondContact O-N 3.19Å
145	M	98.9	Very high	89.3	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.1	171.8	-61.6	-179.4	64.2	0	0	109.6	V174 I175 I176 V177 T234 F236 I262 W591 T592 A595	M145-V174 HydrophobicContact SD-CG2 4.32Å; M145-I175 PolarHBondContact N-O 2.95Å; M145-I176 HydrophobicContact CB-CD1 3.78Å; M145-I176 HydrophobicContact CG-CD1 4.41Å; M145-I176 WeakPolarHBondContact O-CA 3.45Å; M145-I176 HydrophobicContact SD-CD1 4.31Å; M145-V177 PolarHBondContact O-N 2.78Å; M145-T234 CarbonylContact C-O 3.49Å; M145-T234 VanDerWaalsContact CA-O 3.29Å; M145-T234 WeakPolarHBondContact CA-O 3.28Å; M145-F236 HydrophobicContact CB-CD1 4.04Å; M145-F236 HydrophobicContact CB-CE1 3.66Å; M145-F236 HydrophobicContact CB-CZ 4.38Å; M145-F236 HydrophobicContact CE-CD1 4.23Å; M145-F236 HydrophobicContact CE-CD2 4.24Å; M145-F236 HydrophobicContact CE-CE1 4.26Å; M145-F236 HydrophobicContact CE-CE2 4.26Å; M145-F236 HydrophobicContact CE-CG 4.25Å; M145-F236 HydrophobicContact CE-CZ 4.28Å; M145-I262 HydrophobicContact CE-CD1 4.07Å; M145-W591 HydrophobicContact CE-CB 4.38Å; M145-T592 HydrophobicContact SD-CG2 3.79Å; M145-A595 HydrophobicContact CE-CB 4.36Å; M145-A595 HydrophobicContact CG-CB 3.61Å; M145-A595 HydrophobicContact SD-CB 3.64Å
146	V	99	Very high	90.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	108.2	-174.1	-179.6	0	0	0	0	109.5	V144 V177 M179 L216 V219 V233 T234 I235 F236	V144-V146 HydrophobicContact CG1-CG2 3.99Å; V146-V177 CarbonylContact C-O 3.56Å; V146-V177 WeakPolarHBondContact CA-O 3.47Å; V146-V177 HydrophobicContact CG1-CB 4.48Å; V146-V177 HydrophobicContact CG2-CB 4.12Å; V146-M179 HydrophobicContact CG1-CE 3.21Å; V146-L216 HydrophobicContact CB-CD2 4.34Å; V146-L216 HydrophobicContact CG1-CD2 3.86Å; V146-L216 HydrophobicContact CG2-CD2 4.39Å; V146-V219 HydrophobicContact CG2-CG1 4.31Å; V146-V219 HydrophobicContact CG2-CG2 4.4Å; V146-V233 HydrophobicContact CG2-CG1 3.74Å; V146-T234 PolarHBondContact N-O 2.98Å; V146-I235 HydrophobicContact CB-CG2 4.18Å; V146-I235 WeakPolarHBondContact O-CA 2.92Å; V146-F236 VanDerWaalsContact C-CD1 3.44Å; V146-F236 VanDerWaalsContact C-CE1 3.48Å; V146-F236 VanDerWaalsContact O-CD1 3.26Å; V146-F236 WeakPolarHBondContact O-CD1 3.33Å; V146-F236 PolarHBondContact O-N 2.92Å
147	W	98.9	Very high	92.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.9	-177.4	178.5	-117.9	0	0	0	112	Y163 V177 M179 F236 E238 I557 F561	W147-Y163 AromaticContact CE2-CD1 3.8Å; W147-Y163 AromaticContact CE2-CE1 3.99Å; W147-Y163 AromaticContact CZ2-CD1 3.73Å; W147-Y163 HydrophobicContact CZ2-CD1 3.73Å; W147-Y163 AromaticContact CZ2-CE1 3.53Å; W147-Y163 HydrophobicContact CZ2-CE1 3.53Å; W147-Y163 HydrophobicContact CZ2-CG 4.4Å; W147-Y163 AromaticContact CZ2-CZ 3.97Å; W147-Y163 AromaticContact NE1-CD1 3.54Å; W147-Y163 AromaticContact NE1-CD2 3.39Å; W147-Y163 AromaticContact NE1-CE1 3.92Å; W147-Y163 AromaticContact NE1-CE2 3.74Å; W147-Y163 AromaticContact NE1-CG 3.29Å; W147-Y163 VanDerWaalsContact NE1-CG 3.29Å; W147-V177 PolarHBondContact N-O 2.99Å; W147-M179 WeakPolarHBondContact O-CE 3.19Å; W147-M179 VanDerWaalsContact O-SD 3.38Å; W147-F236 CarbonylContact C-O 3.57Å; W147-F236 VanDerWaalsContact CA-CE1 3.5Å; W147-F236 WeakPolarHBondContact CA-O 3.1Å; W147-F236 HydrophobicContact CB-CD1 4.36Å; W147-F236 HydrophobicContact CB-CE1 3.65Å; W147-F236 HydrophobicContact CB-CE2 4.49Å; W147-F236 HydrophobicContact CB-CZ 3.73Å; W147-F236 HydrophobicContact CD2-CE2 4.19Å; W147-F236 HydrophobicContact CD2-CZ 4.28Å; W147-F236 HydrophobicContact CE3-CD1 4.25Å; W147-F236 AromaticContact CE3-CD2 3.35Å; W147-F236 HydrophobicContact CE3-CD2 3.35Å; W147-F236 HydrophobicContact CE3-CE1 4.2Å; W147-F236 AromaticContact CE3-CE2 3.3Å; W147-F236 HydrophobicContact CE3-CE2 3.3Å; W147-F236 AromaticContact CE3-CG 3.82Å; W147-F236 HydrophobicContact CE3-CG 3.82Å; W147-F236 AromaticContact CE3-CZ 3.75Å; W147-F236 HydrophobicContact CE3-CZ 3.75Å; W147-F236 HydrophobicContact CG-CZ 4.33Å; W147-F236 AromaticContact CZ3-CD2 3.63Å; W147-F236 HydrophobicContact CZ3-CD2 3.63Å; W147-F236 AromaticContact CZ3-CE2 3.82Å; W147-F236 HydrophobicContact CZ3-CE2 3.82Å; W147-F236 HydrophobicContact CZ3-CG 4.34Å; W147-F236 VanDerWaalsContact N-CE1 3.3Å; W147-E238 HydrophobicContact CH2-CB 3.65Å; W147-E238 HydrophobicContact CZ2-CB 4.39Å; W147-E238 HydrophobicContact CZ3-CB 4.46Å; W147-I557 HydrophobicContact CH2-CD1 4.14Å; W147-I557 HydrophobicContact CH2-CG1 4.18Å; W147-I557 HydrophobicContact CH2-CG2 4.1Å; W147-I557 HydrophobicContact CZ2-CD1 4.21Å; W147-I557 HydrophobicContact CZ2-CG2 4.16Å; W147-F561 HydrophobicContact CB-CZ 4.14Å; W147-F561 AromaticContact CD2-CE2 3.91Å; W147-F561 HydrophobicContact CD2-CE2 3.91Å; W147-F561 AromaticContact CD2-CZ 3.59Å; W147-F561 HydrophobicContact CD2-CZ 3.59Å; W147-F561 AromaticContact CE2-CZ 3.96Å; W147-F561 AromaticContact CE3-CE2 3.96Å; W147-F561 HydrophobicContact CE3-CE2 3.96Å; W147-F561 AromaticContact CE3-CZ 3.92Å; W147-F561 HydrophobicContact CE3-CZ 3.92Å; W147-F561 HydrophobicContact CG-CE2 4.47Å; W147-F561 AromaticContact CG-CZ 3.69Å; W147-F561 HydrophobicContact CG-CZ 3.69Å; W147-F561 HydrophobicContact CH2-CE2 4.17Å; W147-F561 HydrophobicContact CZ2-CE2 4.17Å; W147-F561 HydrophobicContact CZ3-CE2 4.07Å; W147-F561 HydrophobicContact CZ3-CZ 4.5Å
148	I	98.9	Very high	94.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.5	170.8	-50.1	-177.8	0	0	0	107.7	M179 Y181 Q212 F236 G237 G241 V245 L248	I148-M179 HydrophobicContact CB-SD 4.43Å; I148-M179 HydrophobicContact CG1-CE 4.02Å; I148-M179 HydrophobicContact CG1-SD 3.94Å; I148-M179 HydrophobicContact CG2-SD 4.49Å; I148-Y181 HydrophobicContact CG2-CD1 4.35Å; I148-Y181 HydrophobicContact CG2-CE1 3.9Å; I148-Q212 HydrophobicContact CG2-CG 4.27Å; I148-F236 PolarHBondContact N-O 3.49Å; I148-G237 WeakPolarHBondContact O-CA 3.03Å; I148-G241 WeakPolarHBondContact O-CA 3.42Å; I148-V245 HydrophobicContact CD1-CG2 3.94Å; I148-V245 HydrophobicContact CG1-CG2 4.47Å; I148-L248 HydrophobicContact CD1-CD1 3.72Å
149	Y	98.9	Very high	96	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.103	C	C	.	.			trans	-74	154.3	-176.9	61.3	-98	0	0	0	113.1	G156 S157 A158 M179 Y181 V183	Y149-G156 WeakPolarHBondContact CE2-O 3.48Å; Y149-S157 VanDerWaalsContact CD1-C 3.45Å; Y149-A158 HydrophobicContact CD1-CB 3.98Å; Y149-A158 HydrophobicContact CE1-CB 4.13Å; Y149-A158 VanDerWaalsContact CE1-N 3.33Å; Y149-M179 WeakPolarHBondContact CE1-O 3.16Å; Y149-Y181 HydrophobicContact CD1-CD1 4.3Å; Y149-Y181 AromaticContact CD1-CE1 3.93Å; Y149-Y181 HydrophobicContact CD1-CE1 3.93Å; Y149-Y181 AromaticContact CD2-CE1 3.69Å; Y149-Y181 HydrophobicContact CD2-CE1 3.69Å; Y149-Y181 AromaticContact CE1-CD1 3.67Å; Y149-Y181 HydrophobicContact CE1-CD1 3.67Å; Y149-Y181 AromaticContact CE1-CE1 3.63Å; Y149-Y181 HydrophobicContact CE1-CE1 3.63Å; Y149-Y181 HydrophobicContact CE2-CD1 4.01Å; Y149-Y181 AromaticContact CE2-CE1 3.34Å; Y149-Y181 HydrophobicContact CE2-CE1 3.34Å; Y149-Y181 HydrophobicContact CE2-CE2 4.43Å; Y149-Y181 AromaticContact CE2-CZ 3.58Å; Y149-Y181 AromaticContact CG-CE1 3.96Å; Y149-Y181 HydrophobicContact CG-CE1 3.96Å; Y149-Y181 AromaticContact CZ-CD1 3.48Å; Y149-Y181 VanDerWaalsContact CZ-CD1 3.48Å; Y149-Y181 AromaticContact CZ-CE1 3.31Å; Y149-Y181 AromaticContact CZ-CZ 3.95Å; Y149-Y181 WeakPolarHBondContact O-CE1 3.21Å; Y149-Y181 PolarHBondContact O-OH 3.46Å; Y149-Y181 PolarHBondContact OH-N 3.46Å; Y149-Y181 VanDerWaalsContact OH-N 3.09Å; Y149-Y181 PolarHBondContact OH-O 3.07Å; Y149-V183 HydrophobicContact CE2-CG1 4.31Å
150	G	98.6	Very high	97.2	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.01	9%	0.092	C	C	.	.			trans	-82.6	-143.9	176.2	0	0	0	0	0	114.6	E238	G150-E238 VanDerWaalsContact CA-O 3.22Å; G150-E238 WeakPolarHBondContact CA-O 3.17Å; G150-E238 PolarHBondContact N-O 3.32Å
151	G	97.2	Very high	97.8	Very high	27 Å²	27	11.5 Å²	11.5	28%	0.278	7%	0.069	S	C	.	.	S	Bend	trans	100	29.4	179.8	0	0	0	0	0	115	F153 T154 S155	G151-F153 PolarHBondContact O-N 3.18Å; G151-F153 VanDerWaalsContact O-N 3.11Å; G151-T154 PolarHBondContact O-N 2.91Å; G151-T154 VanDerWaalsContact O-N 3.1Å; G151-T154 PolarHBondContact O-OG1 2.95Å; G151-S155 WeakPolarHBondContact CA-OG 3.29Å; G151-S155 PolarHBondContact O-N 2.82Å; G151-S155 PolarHBondContact O-OG 3.28Å
152	G	96.8	Very high	98.1	Very high	8 Å²	8	6.7 Å²	6.7	8%	0.082	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.9	171.5	0	0	0	0	0	114	T154 V362	G152-T154 PolarHBondContact O-N 2.52Å; G152-T154 PolarHBondContact O-OG1 3.26Å; G152-V362 VanDerWaalsContact O-CG1 3.31Å; G152-V362 WeakPolarHBondContact O-CG1 3.26Å; G152-V362 WeakPolarHBondContact O-CG2 3.32Å
153	F	98.3	Very high	98.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	11.8	-176	-61.4	-70.1	0	0	0	115.9	G151 V183 G184 F188 A240 V243 S244 W272 V362 P366	G151-F153 PolarHBondContact O-N 3.18Å; G151-F153 VanDerWaalsContact O-N 3.11Å; F153-V183 CarbonylContact O-C 3.55Å; F153-V183 WeakPolarHBondContact O-CB 3.37Å; F153-G184 PolarHBondContact O-N 2.73Å; F153-F188 HydrophobicContact CB-CD2 4.06Å; F153-F188 HydrophobicContact CB-CE2 3.84Å; F153-F188 HydrophobicContact CB-CZ 4.29Å; F153-F188 AromaticContact CD1-CE1 3.94Å; F153-F188 HydrophobicContact CD1-CE1 3.94Å; F153-F188 AromaticContact CD1-CE2 3.65Å; F153-F188 HydrophobicContact CD1-CE2 3.65Å; F153-F188 AromaticContact CD1-CZ 3.3Å; F153-F188 HydrophobicContact CD1-CZ 3.3Å; F153-F188 HydrophobicContact CE1-CE1 4.27Å; F153-F188 AromaticContact CE1-CZ 3.86Å; F153-F188 HydrophobicContact CE1-CZ 3.86Å; F153-F188 HydrophobicContact CG-CE2 4.15Å; F153-F188 HydrophobicContact CG-CZ 4.09Å; F153-A240 HydrophobicContact CD1-CB 3.99Å; F153-A240 HydrophobicContact CD2-CB 3.75Å; F153-A240 HydrophobicContact CE1-CB 3.97Å; F153-A240 WeakPolarHBondContact CE1-O 3.17Å; F153-A240 HydrophobicContact CE2-CB 3.69Å; F153-A240 HydrophobicContact CG-CB 3.91Å; F153-A240 HydrophobicContact CZ-CB 3.81Å; F153-A240 VanDerWaalsContact CZ-O 3.26Å; F153-A240 WeakPolarHBondContact CZ-O 3.19Å; F153-V243 HydrophobicContact CE2-CB 4.12Å; F153-V243 HydrophobicContact CE2-CG1 3.94Å; F153-V243 HydrophobicContact CZ-CB 3.84Å; F153-V243 HydrophobicContact CZ-CG1 3.74Å; F153-S244 WeakPolarHBondContact CE1-OG 3.28Å; F153-W272 HydrophobicContact CE2-CZ3 4.46Å; F153-V362 HydrophobicContact CB-CG1 4.04Å; F153-V362 HydrophobicContact CD2-CG1 4.28Å; F153-P366 HydrophobicContact CD1-CG 4.26Å; F153-P366 HydrophobicContact CD2-CG 4.2Å; F153-P366 HydrophobicContact CE1-CG 3.73Å; F153-P366 VanDerWaalsContact CE2-CD 3.46Å; F153-P366 HydrophobicContact CE2-CG 3.67Å; F153-P366 HydrophobicContact CG-CG 4.46Å; F153-P366 HydrophobicContact CZ-CG 3.4Å
154	T	97.1	Very high	98.2	Very high	14 Å²	14	7.8 Å²	7.8	9%	0.086	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-9.8	-176.7	50.3	0	0	0	0	112.9	Q99 Y100 G151 G152 P363	Q99-T154 VanDerWaalsContact CB-O 3.28Å; Q99-T154 WeakPolarHBondContact CB-O 3.4Å; Y100-T154 VanDerWaalsContact CE2-CB 3.48Å; Y100-T154 HydrophobicContact CE2-CG2 3.85Å; G151-T154 PolarHBondContact O-N 2.91Å; G151-T154 VanDerWaalsContact O-N 3.1Å; G151-T154 PolarHBondContact O-OG1 2.95Å; G152-T154 PolarHBondContact O-N 2.52Å; G152-T154 PolarHBondContact O-OG1 3.26Å; T154-P363 HydrophobicContact CG2-CG 3.73Å
155	S	97.6	Very high	98.2	Very high	14 Å²	14	7.8 Å²	7.8	10%	0.098	5%	0.052	C	C	.	.	S	Bend	trans	-153.5	-176.8	-178.6	64	0	0	0	0	111.4	Q99 G151	Q99-S155 VanDerWaalsContact OE1-CA 3.24Å; Q99-S155 VanDerWaalsContact OE1-CB 3.31Å; G151-S155 WeakPolarHBondContact CA-OG 3.29Å; G151-S155 PolarHBondContact O-N 2.82Å; G151-S155 PolarHBondContact O-OG 3.28Å
156	G	98.1	Very high	98.1	Very high	6 Å²	6	7.8 Å²	7.8	6%	0.062	5%	0.052	C	C	.	.			trans	107.8	161.3	177.4	0	0	0	0	0	113	Q99 Y149	Q99-G156 PolarHBondContact NE2-O 2.73Å; Y149-G156 WeakPolarHBondContact CE2-O 3.48Å
157	S	98.7	Very high	98	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.053	C	C	.	.			trans	-156.7	144.1	174.9	-166.6	0	0	0	0	112	T96 Y149 N159 L160 Y163 Q180	T96-S157 PolarHBondContact OG1-OG 3.3Å; Y149-S157 VanDerWaalsContact CD1-C 3.45Å; S157-N159 PolarHBondContact O-N 3.45Å; S157-N159 VanDerWaalsContact O-N 3.17Å; S157-N159 PolarHBondContact OG-N 2.04Å; S157-L160 WeakPolarHBondContact O-CG 3.4Å; S157-L160 PolarHBondContact O-N 2.88Å; S157-Y163 VanDerWaalsContact O-CD2 3.23Å; S157-Y163 WeakPolarHBondContact O-CD2 3.46Å; S157-Y163 VanDerWaalsContact O-CE2 3.32Å; S157-Y163 WeakPolarHBondContact O-CE2 3.07Å; S157-Q180 PolarHBondContact OG-NE2 3.04Å; S157-Q180 PolarHBondContact OG-OE1 3.26Å
158	A	98.7	Very high	97.9	Very high	2 Å²	2	8 Å²	8	2%	0.017	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.4	171.2	0	0	0	0	0	113.5	Y149 Q180	Y149-A158 HydrophobicContact CD1-CB 3.98Å; Y149-A158 HydrophobicContact CE1-CB 4.13Å; Y149-A158 VanDerWaalsContact CE1-N 3.33Å; A158-Q180 HydrophobicContact CB-CG 4.5Å
159	N	98.4	Very high	97.8	Very high	5 Å²	5	8 Å²	8	3%	0.027	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10	-176.5	-64.9	-17	0	0	0	114.1	L93 S94 N118 T119 N129 S157 Q161 Q180	L93-N159 HydrophobicContact CB-CB 4.5Å; L93-N159 HydrophobicContact CD1-CB 4.19Å; L93-N159 HydrophobicContact CD2-CB 4.39Å; S94-N159 PolarHBondContact O-ND2 2.92Å; N118-N159 PolarHBondContact ND2-O 3.31Å; N118-N159 WeakPolarHBondContact OD1-CB 3.43Å; N118-N159 PolarHBondContact OD1-O 2.58Å; T119-N159 HydrophobicContact CG2-CB 4.33Å; T119-N159 PolarHBondContact OG1-ND2 3.35Å; N129-N159 PolarHBondContact ND2-OD1 3.47Å; S157-N159 PolarHBondContact O-N 3.45Å; S157-N159 VanDerWaalsContact O-N 3.17Å; S157-N159 PolarHBondContact OG-N 2.04Å; N159-Q161 PolarHBondContact O-N 2.93Å; N159-Q180 PolarHBondContact ND2-NE2 3.15Å
160	L	98.2	Very high	97.5	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.021	6%	0.058	C	C	.	.			trans	-57.9	139.4	-177.7	-62	-176.1	0	0	0	110.6	W115 I116 S157 V162 Y163	W115-L160 HydrophobicContact CE3-CD1 4.23Å; I116-L160 WeakPolarHBondContact O-CD2 3.26Å; S157-L160 WeakPolarHBondContact O-CG 3.4Å; S157-L160 PolarHBondContact O-N 2.88Å; L160-V162 HydrophobicContact CB-CG1 4.12Å; L160-V162 PolarHBondContact O-N 2.94Å; L160-V162 VanDerWaalsContact O-N 3.17Å; L160-Y163 HydrophobicContact CB-CD2 3.82Å; L160-Y163 HydrophobicContact CB-CE2 3.99Å; L160-Y163 HydrophobicContact CB-CG 4.46Å; L160-Y163 HydrophobicContact CD1-CD2 4.43Å; L160-Y163 HydrophobicContact CD1-CE2 3.74Å; L160-Y163 HydrophobicContact CG-CD2 4.37Å; L160-Y163 HydrophobicContact CG-CE2 4.15Å; L160-Y163 PolarHBondContact O-N 3.29Å
161	Q	97.5	Very high	97.2	Very high	41 Å²	41	10.7 Å²	10.7	19%	0.192	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-57.9	-35.2	-175.3	-170.8	65.2	33.7	0	0	112.1	N159 Y163 N164 I563 D566 F569 F573	N159-Q161 PolarHBondContact O-N 2.93Å; Q161-Y163 PolarHBondContact O-N 3.2Å; Q161-Y163 VanDerWaalsContact O-N 3.12Å; Q161-N164 PolarHBondContact NE2-ND2 3.34Å; Q161-N164 VanDerWaalsContact O-CB 3.25Å; Q161-N164 WeakPolarHBondContact O-CB 3.47Å; Q161-N164 PolarHBondContact O-N 2.94Å; Q161-I563 WeakPolarHBondContact O-CD1 3.47Å; Q161-D566 PolarHBondContact NE2-OD2 2.91Å; Q161-F569 HydrophobicContact CB-CD2 4.25Å; Q161-F569 HydrophobicContact CG-CB 4.02Å; Q161-F569 HydrophobicContact CG-CD2 4.07Å; Q161-F573 HydrophobicContact CB-CE2 4.33Å
162	V	98.1	Very high	97	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-62.4	-17	177.5	68	0	0	0	0	113.3	M114 W115 L160 I557 E558 F561 I563 F569	M114-V162 HydrophobicContact CE-CB 3.81Å; M114-V162 HydrophobicContact CE-CG1 4.11Å; M114-V162 HydrophobicContact CE-CG2 3.59Å; W115-V162 HydrophobicContact CE3-CG1 4.38Å; W115-V162 HydrophobicContact CH2-CG1 4.4Å; W115-V162 HydrophobicContact CZ3-CG1 3.77Å; L160-V162 HydrophobicContact CB-CG1 4.12Å; L160-V162 PolarHBondContact O-N 2.94Å; L160-V162 VanDerWaalsContact O-N 3.17Å; V162-I557 HydrophobicContact CG2-CG2 4.4Å; V162-E558 HydrophobicContact CG2-CB 4.01Å; V162-F561 WeakPolarHBondContact O-CB 3.25Å; V162-F561 WeakPolarHBondContact O-CG 3.39Å; V162-I563 HydrophobicContact CG2-CG1 4.19Å; V162-F569 HydrophobicContact CB-CE2 4Å; V162-F569 HydrophobicContact CG2-CE2 4.38Å
163	Y	98.4	Very high	96.8	Very high	7 Å²	7	14.2 Å²	14.2	3%	0.027	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-104.9	15.4	176.2	-48.7	-34.3	0	0	0	113.2	W115 W147 S157 L160 Q161 G165 I557 F561	W115-Y163 HydrophobicContact CZ3-CE1 4.17Å; W115-Y163 WeakPolarHBondContact CZ3-OH 3.34Å; W147-Y163 AromaticContact CE2-CD1 3.8Å; W147-Y163 AromaticContact CE2-CE1 3.99Å; W147-Y163 AromaticContact CZ2-CD1 3.73Å; W147-Y163 HydrophobicContact CZ2-CD1 3.73Å; W147-Y163 AromaticContact CZ2-CE1 3.53Å; W147-Y163 HydrophobicContact CZ2-CE1 3.53Å; W147-Y163 HydrophobicContact CZ2-CG 4.4Å; W147-Y163 AromaticContact CZ2-CZ 3.97Å; W147-Y163 AromaticContact NE1-CD1 3.54Å; W147-Y163 AromaticContact NE1-CD2 3.39Å; W147-Y163 AromaticContact NE1-CE1 3.92Å; W147-Y163 AromaticContact NE1-CE2 3.74Å; W147-Y163 AromaticContact NE1-CG 3.29Å; W147-Y163 VanDerWaalsContact NE1-CG 3.29Å; S157-Y163 VanDerWaalsContact O-CD2 3.23Å; S157-Y163 WeakPolarHBondContact O-CD2 3.46Å; S157-Y163 VanDerWaalsContact O-CE2 3.32Å; S157-Y163 WeakPolarHBondContact O-CE2 3.07Å; L160-Y163 HydrophobicContact CB-CD2 3.82Å; L160-Y163 HydrophobicContact CB-CE2 3.99Å; L160-Y163 HydrophobicContact CB-CG 4.46Å; L160-Y163 HydrophobicContact CD1-CD2 4.43Å; L160-Y163 HydrophobicContact CD1-CE2 3.74Å; L160-Y163 HydrophobicContact CG-CD2 4.37Å; L160-Y163 HydrophobicContact CG-CE2 4.15Å; L160-Y163 PolarHBondContact O-N 3.29Å; Q161-Y163 PolarHBondContact O-N 3.2Å; Q161-Y163 VanDerWaalsContact O-N 3.12Å; Y163-G165 PolarHBondContact O-N 3.26Å; Y163-I557 HydrophobicContact CD1-CG2 3.7Å; Y163-I557 HydrophobicContact CE1-CD1 3.88Å; Y163-I557 HydrophobicContact CE1-CG2 3.65Å; Y163-F561 VanDerWaalsContact C-CD1 3.48Å; Y163-F561 HydrophobicContact CD1-CE2 4.22Å; Y163-F561 WeakPolarHBondContact O-CD1 3.48Å; Y163-F561 VanDerWaalsContact O-CE1 3.28Å; Y163-F561 WeakPolarHBondContact O-CE1 3.49Å
164	N	97.4	Very high	96.7	Very high	33 Å²	33	14.2 Å²	14.2	18%	0.176	8%	0.08	C	C	.	.			trans	-62.6	107.6	177.9	-176.6	-2.5	0	0	0	110.6	Q161 A166	Q161-N164 PolarHBondContact NE2-ND2 3.34Å; Q161-N164 VanDerWaalsContact O-CB 3.25Å; Q161-N164 WeakPolarHBondContact O-CB 3.47Å; Q161-N164 PolarHBondContact O-N 2.94Å; N164-A166 PolarHBondContact O-N 3.01Å; N164-A166 VanDerWaalsContact OD1-CB 3.23Å; N164-A166 WeakPolarHBondContact OD1-CB 3.31Å; N164-A166 PolarHBondContact OD1-N 3.43Å; N164-A166 VanDerWaalsContact OD1-N 3.14Å
165	G	97.7	Very high	96.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5	-175.5	0	0	0	0	0	115.2	Y163 S169	Y163-G165 PolarHBondContact O-N 3.26Å; G165-S169 WeakPolarHBondContact O-CB 3.4Å; G165-S169 PolarHBondContact O-N 2.9Å
166	A	96.9	Very high	96.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-49.1	-173.4	0	0	0	0	0	113.1	V48 V57 N164 A170	V48-A166 HydrophobicContact CG1-CB 3.8Å; V57-A166 HydrophobicContact CG1-CB 4Å; N164-A166 PolarHBondContact O-N 3.01Å; N164-A166 VanDerWaalsContact OD1-CB 3.23Å; N164-A166 WeakPolarHBondContact OD1-CB 3.31Å; N164-A166 PolarHBondContact OD1-N 3.43Å; N164-A166 VanDerWaalsContact OD1-N 3.14Å; A166-A170 WeakPolarHBondContact O-CB 3.45Å; A166-A170 PolarHBondContact O-N 3.13Å
167	I	96.8	Very high	96.9	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-68	-48	-176.3	-68.8	163.3	0	0	0	110.7	V48 I50 S169 A170 T171 G562 D566 M588	V48-I167 HydrophobicContact CB-CG1 4.23Å; V48-I167 HydrophobicContact CG1-CG1 4.06Å; I50-I167 HydrophobicContact CD1-CB 4.46Å; I50-I167 HydrophobicContact CD1-CG1 4.25Å; I50-I167 HydrophobicContact CD1-CG2 3.69Å; I167-S169 VanDerWaalsContact C-N 3.34Å; I167-S169 PolarHBondContact O-N 2.81Å; I167-A170 PolarHBondContact O-N 2.95Å; I167-T171 HydrophobicContact CG2-CG2 4.33Å; I167-T171 WeakPolarHBondContact O-CB 3.47Å; I167-T171 WeakPolarHBondContact O-CG2 3.44Å; I167-T171 PolarHBondContact O-N 2.7Å; I167-T171 PolarHBondContact O-OG1 3.34Å; I167-G562 WeakPolarHBondContact CD1-O 3.39Å; I167-D566 HydrophobicContact CD1-CB 3.72Å; I167-M588 HydrophobicContact CG2-CE 4.35Å; I167-M588 HydrophobicContact CG2-SD 4.16Å
168	L	97.1	Very high	96.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.8	-45	177.7	-177	59.5	0	0	0	111.4	Q172 I176 M588 T592	L168-Q172 HydrophobicContact CD1-CB 4.42Å; L168-Q172 HydrophobicContact CD1-CG 3.8Å; L168-Q172 VanDerWaalsContact O-CB 3.31Å; L168-Q172 WeakPolarHBondContact O-CB 3.29Å; L168-Q172 PolarHBondContact O-N 3.32Å; L168-Q172 VanDerWaalsContact O-N 3.09Å; L168-I176 HydrophobicContact CB-CD1 4.49Å; L168-I176 HydrophobicContact CB-CG1 4.32Å; L168-I176 HydrophobicContact CD2-CD1 3.56Å; L168-I176 HydrophobicContact CD2-CG1 4.17Å; L168-I176 HydrophobicContact CG-CD1 3.88Å; L168-I176 HydrophobicContact CG-CG1 4.23Å; L168-M588 HydrophobicContact CB-SD 4.48Å; L168-M588 HydrophobicContact CD1-CB 3.82Å; L168-M588 HydrophobicContact CD1-CG 3.79Å; L168-M588 HydrophobicContact CD1-SD 3.92Å; L168-T592 HydrophobicContact CD1-CG2 3.69Å; L168-T592 HydrophobicContact CG-CG2 4.38Å
169	S	96.5	Very high	96.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-50.1	177.5	-175.5	0	0	0	0	112	W131 P133 G165 I167 N173 V174	W131-S169 PolarHBondContact O-OG 2.81Å; P133-S169 VanDerWaalsContact CD-OG 3.28Å; P133-S169 WeakPolarHBondContact CD-OG 3.41Å; G165-S169 WeakPolarHBondContact O-CB 3.4Å; G165-S169 PolarHBondContact O-N 2.9Å; I167-S169 VanDerWaalsContact C-N 3.34Å; I167-S169 PolarHBondContact O-N 2.81Å; S169-N173 PolarHBondContact O-N 2.04Å; S169-N173 VanDerWaalsContact O-N 3.08Å; S169-V174 VanDerWaalsContact CA-O 3.3Å; S169-V174 WeakPolarHBondContact CA-O 3.26Å; S169-V174 WeakPolarHBondContact CB-O 3.35Å; S169-V174 PolarHBondContact OG-O 3.45Å
170	A	93.2	Very high	96.9	Very high	15 Å²	15	12.3 Å²	12.3	12%	0.124	7%	0.067	C	C	.	.	H	α-helix	trans	-64.4	-43.3	-177.2	0	0	0	0	0	113.2	V48 V55 V57 A166 I167	V48-A170 HydrophobicContact CG2-CB 3.51Å; V55-A170 HydrophobicContact CB-CB 4.31Å; V55-A170 HydrophobicContact CG1-CB 3.86Å; V57-A170 HydrophobicContact CB-CB 4.23Å; A166-A170 WeakPolarHBondContact O-CB 3.45Å; A166-A170 PolarHBondContact O-N 3.13Å; I167-A170 PolarHBondContact O-N 2.95Å
171	T	91.9	Very high	97	Very high	43 Å²	43	12.1 Å²	12.1	26%	0.264	7%	0.066	S	C	.	.	H	α-helix	trans	-83.8	-30.1	-173.7	58.6	0	0	0	0	113.4	I50 I167	I50-T171 HydrophobicContact CB-CG2 4.31Å; I50-T171 HydrophobicContact CD1-CG2 3.7Å; I50-T171 HydrophobicContact CG1-CG2 3.56Å; I50-T171 HydrophobicContact CG2-CG2 3.96Å; I167-T171 HydrophobicContact CG2-CG2 4.33Å; I167-T171 WeakPolarHBondContact O-CB 3.47Å; I167-T171 WeakPolarHBondContact O-CG2 3.44Å; I167-T171 PolarHBondContact O-N 2.7Å; I167-T171 PolarHBondContact O-OG1 3.34Å
172	Q	94.2	Very high	97	Very high	28 Å²	28	10.5 Å²	10.5	13%	0.131	6%	0.058	C	C	.	.	H	α-helix	trans	-107.8	0.1	-174	-56.2	-53	-52.1	0	0	113.9	L168 V174 M588 T592 K596	L168-Q172 HydrophobicContact CD1-CB 4.42Å; L168-Q172 HydrophobicContact CD1-CG 3.8Å; L168-Q172 VanDerWaalsContact O-CB 3.31Å; L168-Q172 WeakPolarHBondContact O-CB 3.29Å; L168-Q172 PolarHBondContact O-N 3.32Å; L168-Q172 VanDerWaalsContact O-N 3.09Å; Q172-V174 HydrophobicContact CB-CG2 4.28Å; Q172-V174 PolarHBondContact O-N 3.21Å; Q172-M588 HydrophobicContact CG-CB 3.98Å; Q172-T592 HydrophobicContact CB-CG2 3.47Å; Q172-T592 VanDerWaalsContact CB-CG2 3.47Å; Q172-T592 WeakPolarHBondContact CB-OG1 3.04Å; Q172-T592 HydrophobicContact CG-CG2 3.68Å; Q172-T592 PolarHBondContact OE1-OG1 2.98Å; Q172-K596 WeakPolarHBondContact O-CE 3.39Å; Q172-K596 PolarHBondContact O-NZ 2.87Å
173	N	93	Very high	97.1	Very high	81 Å²	81	10.5 Å²	10.5	43%	0.433	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	52.3	178.5	-159.5	34.6	0	0	0	112.3	P133 S169	P133-N173 VanDerWaalsContact CG-OD1 3.29Å; P133-N173 WeakPolarHBondContact CG-OD1 3.44Å; S169-N173 PolarHBondContact O-N 2.04Å; S169-N173 VanDerWaalsContact O-N 3.08Å
174	V	96.1	Very high	97.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.			trans	-131	154.7	175.2	-65.1	0	0	0	0	109.2	M145 S169 Q172 I176 T592	M145-V174 HydrophobicContact SD-CG2 4.32Å; S169-V174 VanDerWaalsContact CA-O 3.3Å; S169-V174 WeakPolarHBondContact CA-O 3.26Å; S169-V174 WeakPolarHBondContact CB-O 3.35Å; S169-V174 PolarHBondContact OG-O 3.45Å; Q172-V174 HydrophobicContact CB-CG2 4.28Å; Q172-V174 PolarHBondContact O-N 3.21Å; V174-I176 HydrophobicContact CG2-CD1 3.73Å; V174-I176 HydrophobicContact CG2-CG1 4.42Å; V174-T592 HydrophobicContact CG1-CG2 4.12Å; V174-T592 HydrophobicContact CG2-CG2 3.86Å
175	I	98.1	Very high	97.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.1	171.2	-63.6	-177.9	0	0	0	108.6	V130 W131 L142 P143 V144 M145 V177 I223 F226 G228	V130-I175 HydrophobicContact CG1-CG2 3.81Å; W131-I175 WeakPolarHBondContact O-CA 3.2Å; W131-I175 WeakPolarHBondContact O-CG2 3.48Å; L142-I175 HydrophobicContact CB-CG1 4.2Å; L142-I175 HydrophobicContact CD1-CG1 4.31Å; P143-I175 PolarHBondContact O-N 3.06Å; V144-I175 CarbonylContact C-O 3.52Å; V144-I175 WeakPolarHBondContact CA-O 3.04Å; V144-I175 HydrophobicContact CG1-CG2 4.37Å; V144-I175 HydrophobicContact CG2-CB 4.34Å; M145-I175 PolarHBondContact N-O 2.95Å; I175-V177 HydrophobicContact CG2-CG2 4.23Å; I175-I223 HydrophobicContact CG2-CD1 3.94Å; I175-I223 HydrophobicContact CG2-CG1 4.4Å; I175-F226 HydrophobicContact CD1-CB 4.37Å; I175-F226 WeakPolarHBondContact CD1-O 3.25Å; I175-G228 VanDerWaalsContact CD1-N 3.27Å
176	I	98.7	Very high	97.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.5	173.7	-55.6	-54.9	0	0	0	108.6	V130 W131 M145 L168 V174	V130-I176 CarbonylContact C-O 3.5Å; V130-I176 WeakPolarHBondContact CA-O 3.01Å; W131-I176 HydrophobicContact CB-CB 4.47Å; W131-I176 HydrophobicContact CE3-CB 4.14Å; W131-I176 HydrophobicContact CE3-CG2 4Å; W131-I176 HydrophobicContact CZ3-CG2 4.3Å; W131-I176 PolarHBondContact N-O 3.23Å; W131-I176 PolarHBondContact O-N 2.87Å; M145-I176 HydrophobicContact CB-CD1 3.78Å; M145-I176 HydrophobicContact CG-CD1 4.41Å; M145-I176 WeakPolarHBondContact O-CA 3.45Å; M145-I176 HydrophobicContact SD-CD1 4.31Å; L168-I176 HydrophobicContact CB-CD1 4.49Å; L168-I176 HydrophobicContact CB-CG1 4.32Å; L168-I176 HydrophobicContact CD2-CD1 3.56Å; L168-I176 HydrophobicContact CD2-CG1 4.17Å; L168-I176 HydrophobicContact CG-CD1 3.88Å; L168-I176 HydrophobicContact CG-CG1 4.23Å; V174-I176 HydrophobicContact CG2-CD1 3.73Å; V174-I176 HydrophobicContact CG2-CG1 4.42Å
177	V	98.9	Very high	97.2	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.006	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.5	170.1	-176.1	0	0	0	0	108.1	L128 N129 V130 V144 M145 V146 W147 I175 V219 I223	L128-V177 HydrophobicContact CD1-CG1 4.42Å; N129-V177 CarbonylContact O-C 3.25Å; N129-V177 VanDerWaalsContact O-CA 3.23Å; N129-V177 WeakPolarHBondContact O-CA 3.37Å; V130-V177 HydrophobicContact CG1-CG2 4.46Å; V130-V177 HydrophobicContact CG2-CG1 4.5Å; V130-V177 HydrophobicContact CG2-CG2 4.27Å; V144-V177 HydrophobicContact CG1-CG2 3.85Å; M145-V177 PolarHBondContact O-N 2.78Å; V146-V177 CarbonylContact C-O 3.56Å; V146-V177 WeakPolarHBondContact CA-O 3.47Å; V146-V177 HydrophobicContact CG1-CB 4.48Å; V146-V177 HydrophobicContact CG2-CB 4.12Å; W147-V177 PolarHBondContact N-O 2.99Å; I175-V177 HydrophobicContact CG2-CG2 4.23Å; V177-V219 HydrophobicContact CG1-CG2 3.94Å; V177-V219 HydrophobicContact CG2-CG2 4.37Å; V177-I223 HydrophobicContact CG2-CD1 3.79Å
178	S	98.9	Very high	97.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147	168.3	60.5	0	0	0	0	109.3	L128 N129 W131	L128-S178 CarbonylContact C-O 3.52Å; L128-S178 WeakPolarHBondContact CA-O 3.25Å; L128-S178 WeakPolarHBondContact CB-O 3.47Å; N129-S178 PolarHBondContact N-O 3.25Å; N129-S178 PolarHBondContact ND2-OG 3.38Å; N129-S178 PolarHBondContact O-N 2.77Å; W131-S178 WeakPolarHBondContact CZ3-OG 3.34Å
179	M	98.9	Very high	97.3	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.2	179.5	83.5	-57.5	-59.4	0	0	112.1	Y65 L128 V146 W147 I148 Y149 Q212 A215	Y65-M179 HydrophobicContact CE1-CB 4.13Å; L128-M179 HydrophobicContact CB-CB 3.92Å; V146-M179 HydrophobicContact CG1-CE 3.21Å; W147-M179 WeakPolarHBondContact O-CE 3.19Å; W147-M179 VanDerWaalsContact O-SD 3.38Å; I148-M179 HydrophobicContact CB-SD 4.43Å; I148-M179 HydrophobicContact CG1-CE 4.02Å; I148-M179 HydrophobicContact CG1-SD 3.94Å; I148-M179 HydrophobicContact CG2-SD 4.49Å; Y149-M179 WeakPolarHBondContact CE1-O 3.16Å; M179-Q212 HydrophobicContact SD-CG 4.48Å; M179-A215 HydrophobicContact CB-CB 3.77Å; M179-A215 HydrophobicContact CG-CB 3.7Å
180	Q	98.9	Very high	97.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.			trans	-71.9	145.9	161.4	-56.8	-68.9	33.6	0	0	109.7	Y65 P95 C125 Y127 S157 A158 N159	Y65-Q180 PolarHBondContact OH-O 2.91Å; P95-Q180 PolarHBondContact O-NE2 3.5Å; C125-Q180 WeakPolarHBondContact O-CB 3.39Å; C125-Q180 VanDerWaalsContact O-CG 3.28Å; C125-Q180 WeakPolarHBondContact O-CG 3.44Å; Y127-Q180 PolarHBondContact O-N 3.23Å; S157-Q180 PolarHBondContact OG-NE2 3.04Å; S157-Q180 PolarHBondContact OG-OE1 3.26Å; A158-Q180 HydrophobicContact CB-CG 4.5Å; N159-Q180 PolarHBondContact ND2-NE2 3.15Å
181	Y	98.9	Very high	97.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.			trans	-141.5	151.5	168	64.4	-87.9	0	0	0	109.5	C97 I148 Y149 V183 F188 Q212	C97-Y181 PolarHBondContact SG-O 3.47Å; I148-Y181 HydrophobicContact CG2-CD1 4.35Å; I148-Y181 HydrophobicContact CG2-CE1 3.9Å; Y149-Y181 HydrophobicContact CD1-CD1 4.3Å; Y149-Y181 AromaticContact CD1-CE1 3.93Å; Y149-Y181 HydrophobicContact CD1-CE1 3.93Å; Y149-Y181 AromaticContact CD2-CE1 3.69Å; Y149-Y181 HydrophobicContact CD2-CE1 3.69Å; Y149-Y181 AromaticContact CE1-CD1 3.67Å; Y149-Y181 HydrophobicContact CE1-CD1 3.67Å; Y149-Y181 AromaticContact CE1-CE1 3.63Å; Y149-Y181 HydrophobicContact CE1-CE1 3.63Å; Y149-Y181 HydrophobicContact CE2-CD1 4.01Å; Y149-Y181 AromaticContact CE2-CE1 3.34Å; Y149-Y181 HydrophobicContact CE2-CE1 3.34Å; Y149-Y181 HydrophobicContact CE2-CE2 4.43Å; Y149-Y181 AromaticContact CE2-CZ 3.58Å; Y149-Y181 AromaticContact CG-CE1 3.96Å; Y149-Y181 HydrophobicContact CG-CE1 3.96Å; Y149-Y181 AromaticContact CZ-CD1 3.48Å; Y149-Y181 VanDerWaalsContact CZ-CD1 3.48Å; Y149-Y181 AromaticContact CZ-CE1 3.31Å; Y149-Y181 AromaticContact CZ-CZ 3.95Å; Y149-Y181 WeakPolarHBondContact O-CE1 3.21Å; Y149-Y181 PolarHBondContact O-OH 3.46Å; Y149-Y181 PolarHBondContact OH-N 3.46Å; Y149-Y181 VanDerWaalsContact OH-N 3.09Å; Y149-Y181 PolarHBondContact OH-O 3.07Å; Y181-V183 HydrophobicContact CD2-CG1 4.14Å; Y181-V183 HydrophobicContact CE2-CG1 3.7Å; Y181-V183 PolarHBondContact O-N 3.02Å; Y181-F188 HydrophobicContact CE2-CE2 4.47Å; Y181-F188 HydrophobicContact CE2-CZ 4.48Å; Y181-Q212 HydrophobicContact CD1-CG 3.98Å; Y181-Q212 HydrophobicContact CD2-CG 4.49Å; Y181-Q212 HydrophobicContact CG-CG 3.85Å
182	R	98.9	Very high	97.6	Very high	7 Å²	7	12.2 Å²	12.2	3%	0.026	6%	0.057	C	C	.	.			trans	-64.8	137.3	179.7	-73.6	170.7	-71.8	173.2	-2	110.9	P69 A76 L126 F186 G187 G208 D211	P69-R182 HydrophobicContact CG-CG 4.39Å; A76-R182 VanDerWaalsContact O-CZ 3.32Å; A76-R182 PolarHBondContact O-NH1 2.94Å; A76-R182 PolarHBondContact O-NH2 3.31Å; L126-R182 HydrophobicContact CD2-CG 4.13Å; R182-F186 HydrophobicContact CB-CB 4.11Å; R182-F186 HydrophobicContact CG-CB 4.28Å; R182-G187 WeakPolarHBondContact O-CA 3.3Å; R182-G208 WeakPolarHBondContact O-CA 3.35Å; R182-D211 VanDerWaalsContact CB-OD2 3.31Å; R182-D211 WeakPolarHBondContact CB-OD2 3.14Å; R182-D211 WeakPolarHBondContact CG-OD2 3.41Å; R182-D211 IonicContact CZ-OD1 3.13Å; R182-D211 IonicContact CZ-OD2 3.22Å; R182-D211 PolarHBondContact N-OD2 3.46Å; R182-D211 IonicContact NE-OD1 2.7Å; R182-D211 PolarHBondContact NE-OD1 2.98Å; R182-D211 IonicContact NE-OD2 2.99Å; R182-D211 PolarHBondContact NE-OD2 2.75Å; R182-D211 IonicContact NH2-OD1 3.49Å; R182-D211 PolarHBondContact NH2-OD1 2.9Å; R182-D211 IonicContact NH2-OD2 2.59Å
183	V	98.7	Very high	97.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.			trans	-118	171	177.4	-63.8	0	0	0	0	110.8	W98 Q99 Y149 F153 Y181 F186 G187	W98-V183 WeakPolarHBondContact O-CG2 3.47Å; Q99-V183 HydrophobicContact CB-CG2 3.77Å; Y149-V183 HydrophobicContact CE2-CG1 4.31Å; F153-V183 CarbonylContact O-C 3.55Å; F153-V183 WeakPolarHBondContact O-CB 3.37Å; Y181-V183 HydrophobicContact CD2-CG1 4.14Å; Y181-V183 HydrophobicContact CE2-CG1 3.7Å; Y181-V183 PolarHBondContact O-N 3.02Å; V183-F186 PolarHBondContact O-N 2.98Å; V183-G187 PolarHBondContact O-N 3.39Å
184	G	98.2	Very high	96.8	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	57.5	-143.4	-178.8	0	0	0	0	0	112.3	F153 F186 G187 F188	F153-G184 PolarHBondContact O-N 2.73Å; G184-F186 PolarHBondContact O-N 2.92Å; G184-G187 PolarHBondContact O-N 2.99Å; G184-F188 PolarHBondContact O-N 3.31Å
185	A	98.1	Very high	96	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-29.4	178.5	0	0	0	0	0	112.9	F75 G187 L189 F287 L319 L364	F75-A185 WeakPolarHBondContact CD1-O 3.37Å; F75-A185 WeakPolarHBondContact CE1-O 2.94Å; A185-G187 VanDerWaalsContact C-N 3.29Å; A185-G187 PolarHBondContact O-N 2.94Å; A185-L189 WeakPolarHBondContact O-CB 3.23Å; A185-L189 PolarHBondContact O-N 3.04Å; A185-F287 HydrophobicContact CB-CE1 3.74Å; A185-F287 HydrophobicContact CB-CE2 4.27Å; A185-F287 HydrophobicContact CB-CZ 3.52Å; A185-L319 HydrophobicContact CB-CD2 4.02Å; A185-L364 HydrophobicContact CB-CD1 4.01Å
186	F	98.6	Very high	95	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-67.4	-31.4	-179.7	-55.5	-84.6	0	0	0	112.7	R74 F75 W98 E123 R182 V183 G184 P312 L315 V316	R74-F186 HydrophobicContact CG-CD1 4.2Å; F75-F186 HydrophobicContact CE1-CD1 4.34Å; W98-F186 HydrophobicContact CB-CD2 4.16Å; W98-F186 HydrophobicContact CB-CE2 3.67Å; W98-F186 HydrophobicContact CB-CZ 4.07Å; E123-F186 HydrophobicContact CG-CD1 4.46Å; E123-F186 HydrophobicContact CG-CE1 4.22Å; R182-F186 HydrophobicContact CB-CB 4.11Å; R182-F186 HydrophobicContact CG-CB 4.28Å; V183-F186 PolarHBondContact O-N 2.98Å; G184-F186 PolarHBondContact O-N 2.92Å; F186-P312 HydrophobicContact CE1-CB 4.18Å; F186-P312 HydrophobicContact CZ-CB 3.71Å; F186-L315 HydrophobicContact CD1-CD1 4.48Å; F186-L315 HydrophobicContact CE1-CD1 3.58Å; F186-L315 HydrophobicContact CE2-CB 4.34Å; F186-L315 HydrophobicContact CZ-CB 3.9Å; F186-L315 HydrophobicContact CZ-CD1 3.69Å; F186-L315 HydrophobicContact CZ-CG 4.43Å; F186-V316 HydrophobicContact CE2-CG2 3.99Å
187	G	98.5	Very high	93.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-102.7	-24.5	-177.2	0	0	0	0	0	115.1	R182 V183 G184 A185 N206 Q207 G208	R182-G187 WeakPolarHBondContact O-CA 3.3Å; V183-G187 PolarHBondContact O-N 3.39Å; G184-G187 PolarHBondContact O-N 2.99Å; A185-G187 VanDerWaalsContact C-N 3.29Å; A185-G187 PolarHBondContact O-N 2.94Å; G187-N206 CarbonylContact O-C 3.6Å; G187-Q207 CarbonylContact O-C 3.25Å; G187-Q207 WeakPolarHBondContact O-CA 3.15Å; G187-Q207 WeakPolarHBondContact O-CB 3.45Å; G187-Q207 PolarHBondContact O-N 3.48Å; G187-Q207 PolarHBondContact O-OE1 2.93Å; G187-G208 PolarHBondContact O-N 3.46Å
188	F	98.5	Very high	92.7	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-134.6	8.3	-165.7	-61.4	-79.7	0	0	0	114.5	F153 Y181 G184 R190 L209 L364 P366	F153-F188 HydrophobicContact CB-CD2 4.06Å; F153-F188 HydrophobicContact CB-CE2 3.84Å; F153-F188 HydrophobicContact CB-CZ 4.29Å; F153-F188 AromaticContact CD1-CE1 3.94Å; F153-F188 HydrophobicContact CD1-CE1 3.94Å; F153-F188 AromaticContact CD1-CE2 3.65Å; F153-F188 HydrophobicContact CD1-CE2 3.65Å; F153-F188 AromaticContact CD1-CZ 3.3Å; F153-F188 HydrophobicContact CD1-CZ 3.3Å; F153-F188 HydrophobicContact CE1-CE1 4.27Å; F153-F188 AromaticContact CE1-CZ 3.86Å; F153-F188 HydrophobicContact CE1-CZ 3.86Å; F153-F188 HydrophobicContact CG-CE2 4.15Å; F153-F188 HydrophobicContact CG-CZ 4.09Å; Y181-F188 HydrophobicContact CE2-CE2 4.47Å; Y181-F188 HydrophobicContact CE2-CZ 4.48Å; G184-F188 PolarHBondContact O-N 3.31Å; F188-R190 PolarHBondContact O-N 3Å; F188-L209 HydrophobicContact CE1-CG 4.07Å; F188-L364 HydrophobicContact CB-CB 3.93Å; F188-P366 HydrophobicContact CD1-CG 4.23Å; F188-P366 HydrophobicContact CE1-CB 4.41Å; F188-P366 HydrophobicContact CE1-CG 3.79Å
189	L	98.1	Very high	91.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.			trans	-63.5	124.7	173.2	-176.1	74.1	0	0	0	110.9	F75 A185 L191 A203 G205 Q207 A284 F287 L307 L364	F75-L189 HydrophobicContact CD1-CB 4.34Å; F75-L189 HydrophobicContact CD1-CD2 4.01Å; F75-L189 HydrophobicContact CD2-CD2 4.43Å; F75-L189 HydrophobicContact CE1-CD2 4.15Å; F75-L189 HydrophobicContact CG-CD2 4.15Å; F75-L189 HydrophobicContact CZ-CD2 4.4Å; A185-L189 WeakPolarHBondContact O-CB 3.23Å; A185-L189 PolarHBondContact O-N 3.04Å; L189-L191 HydrophobicContact CD1-CD2 4.33Å; L189-L191 HydrophobicContact CD2-CD1 4.48Å; L189-L191 HydrophobicContact CD2-CG 4.36Å; L189-L191 HydrophobicContact CG-CD2 4.32Å; L189-L191 HydrophobicContact CG-CG 4.33Å; L189-A203 HydrophobicContact CD2-CB 4.14Å; L189-A203 HydrophobicContact CG-CB 4.39Å; L189-A203 CarbonylContact O-C 3.59Å; L189-G205 WeakPolarHBondContact O-CA 3.45Å; L189-G205 PolarHBondContact O-N 3.28Å; L189-G205 VanDerWaalsContact O-N 3.13Å; L189-Q207 PolarHBondContact O-OE1 2.58Å; L189-A284 HydrophobicContact CD1-CB 3.64Å; L189-F287 HydrophobicContact CD1-CD1 3.85Å; L189-F287 HydrophobicContact CD1-CE1 4.2Å; L189-L307 HydrophobicContact CD2-CD1 3.8Å; L189-L364 HydrophobicContact CD1-CD1 4.4Å
190	R	96.9	Very high	90.9	Very high	24 Å²	24	45.7 Å²	45.7	9%	0.091	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-118.9	110.8	-179.9	179.1	62.1	177.8	73.1	-2.4	110.8	F188 K192 A203 L204 A280 H281 A284 V367	F188-R190 PolarHBondContact O-N 3Å; R190-K192 VanDerWaalsContact NH1-N 3.14Å; R190-A203 CarbonylContact C-O 3.47Å; R190-A203 WeakPolarHBondContact CA-O 3.43Å; R190-L204 WeakPolarHBondContact CD-O 3.37Å; R190-L204 PolarHBondContact NE-O 3.43Å; R190-A280 HydrophobicContact CB-CB 3.81Å; R190-A280 HydrophobicContact CG-CB 3.86Å; R190-H281 WeakPolarHBondContact O-CA 3.4Å; R190-A284 WeakPolarHBondContact O-CB 3.11Å; R190-V367 HydrophobicContact CB-CG1 4.32Å; R190-V367 HydrophobicContact CG-CG1 4.35Å; R190-V367 HydrophobicContact CG-CG2 4.42Å
191	L	96.1	Very high	90.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.			trans	-112.1	122.8	172.9	-55.4	-174.4	0	0	0	109.8	L189 A203 A284 P296 R300 L304	L189-L191 HydrophobicContact CD1-CD2 4.33Å; L189-L191 HydrophobicContact CD2-CD1 4.48Å; L189-L191 HydrophobicContact CD2-CG 4.36Å; L189-L191 HydrophobicContact CG-CD2 4.32Å; L189-L191 HydrophobicContact CG-CG 4.33Å; L191-A203 HydrophobicContact CB-CB 4.34Å; L191-A203 HydrophobicContact CD1-CB 4.13Å; L191-A203 HydrophobicContact CG-CB 3.96Å; L191-A203 PolarHBondContact N-O 2.85Å; L191-A284 HydrophobicContact CD2-CB 3.8Å; L191-P296 HydrophobicContact CD1-CB 4.22Å; L191-P296 HydrophobicContact CD2-CB 3.79Å; L191-P296 HydrophobicContact CD2-CG 3.81Å; L191-P296 HydrophobicContact CG-CB 4.43Å; L191-R300 HydrophobicContact CB-CG 4.44Å; L191-R300 PolarHBondContact O-NH2 3.47Å; L191-L304 HydrophobicContact CD1-CB 4.46Å; L191-L304 HydrophobicContact CD1-CD1 4.48Å
192	K	93.5	Very high	90.1	Very high	103 Å²	103	50 Å²	50	45%	0.448	27%	0.266	S	S	.	.			trans	-43.8	123.2	177.4	-164.4	160.3	-172.1	149.2	0	110.6	R190 D278 H281 R300	R190-K192 VanDerWaalsContact NH1-N 3.14Å; K192-D278 IonicContact NZ-OD1 3.68Å; K192-D278 PolarHBondContact NZ-OD1 2.87Å; K192-H281 HydrophobicContact CB-CB 4.43Å; K192-H281 WeakPolarHBondContact CB-ND1 3.18Å; K192-H281 PolarHBondContact N-ND1 3.02Å; K192-R300 WeakPolarHBondContact O-CD 3.43Å; K192-R300 PolarHBondContact O-NE 3.44Å
193	P	89.9	Confident	89.9	Confident	53 Å²	53	49.7 Å²	49.7	34%	0.344	27%	0.265	S	S	.	.			trans	-56.4	148.3	177.3	-16.9	22.2	0	0	0	110.8	I195 L204	P193-I195 PolarHBondContact O-N 3.15Å; P193-L204 HydrophobicContact CB-CD2 4.29Å; P193-L204 HydrophobicContact CG-CD2 3.71Å
194	N	81.8	Confident	89.8	Confident	78 Å²	78	52 Å²	52	42%	0.417	28%	0.277	S	S	.	.			trans	-73.4	128	169.7	-170.4	-13.7	0	0	0	108.7	T196 D197	N194-T196 VanDerWaalsContact CG-OG1 3.26Å; N194-T196 PolarHBondContact ND2-OG1 3.04Å; N194-T196 PolarHBondContact O-N 3.27Å; N194-T196 PolarHBondContact OD1-N 2.91Å; N194-T196 VanDerWaalsContact OD1-N 3.13Å; N194-T196 PolarHBondContact OD1-OG1 3.47Å; N194-D197 CarbonylContact O-C 3.39Å; N194-D197 PolarHBondContact O-N 3.04Å
195	I	78.3	Confident	89.7	Confident	153 Å²	153	52 Å²	52	79%	0.785	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32	179.2	-61.6	172	0	0	0	110.9	P193	P193-I195 PolarHBondContact O-N 3.15Å
196	T	77.4	Confident	89.7	Confident	122 Å²	122	52 Å²	52	75%	0.748	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.1	-175.4	58.1	0	0	0	0	114.6	N194	N194-T196 VanDerWaalsContact CG-OG1 3.26Å; N194-T196 PolarHBondContact ND2-OG1 3.04Å; N194-T196 PolarHBondContact O-N 3.27Å; N194-T196 PolarHBondContact OD1-N 2.91Å; N194-T196 VanDerWaalsContact OD1-N 3.13Å; N194-T196 PolarHBondContact OD1-OG1 3.47Å
197	D	75.4	Confident	89.7	Confident	64 Å²	64	51.6 Å²	51.6	34%	0.342	28%	0.275	S	S	.	.			trans	-134.4	88	179.7	-177.5	7.6	0	0	0	110.1	N194 T199	N194-D197 CarbonylContact O-C 3.39Å; N194-D197 PolarHBondContact O-N 3.04Å; D197-T199 PolarHBondContact O-N 2.89Å; D197-T199 WeakPolarHBondContact OD1-CB 3.42Å; D197-T199 PolarHBondContact OD1-N 2.98Å; D197-T199 PolarHBondContact OD1-OG1 3.46Å
198	Q	75	Confident	89.7	Confident	172 Å²	172	51.6 Å²	51.6	80%	0.804	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.8	176.3	-63.3	-177	-8.4	0	0	112.8	Q200	Q198-Q200 VanDerWaalsContact C-N 3.27Å
199	T	78.3	Confident	89.7	Confident	119 Å²	119	51.5 Å²	51.5	73%	0.73	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.9	178	73.8	0	0	0	0	112	D197 T201	D197-T199 PolarHBondContact O-N 2.89Å; D197-T199 WeakPolarHBondContact OD1-CB 3.42Å; D197-T199 PolarHBondContact OD1-N 2.98Å; D197-T199 PolarHBondContact OD1-OG1 3.46Å; T199-T201 PolarHBondContact O-N 3.17Å
200	Q	80.2	Confident	89.7	Confident	52 Å²	52	52.6 Å²	52.6	24%	0.243	28%	0.28	C	S	.	.			trans	-80.4	104.5	-179.9	-178.4	49.5	-73.2	0	0	111.5	Q198 D202 R300	Q198-Q200 VanDerWaalsContact C-N 3.27Å; Q200-D202 VanDerWaalsContact CD-OD2 3.32Å; Q200-D202 PolarHBondContact NE2-OD2 3.13Å; Q200-D202 PolarHBondContact OE1-OD2 3.37Å; Q200-R300 VanDerWaalsContact CG-NH1 3.27Å
201	T	87.2	Confident	89.8	Confident	72 Å²	72	51.4 Å²	51.4	44%	0.442	28%	0.276	S	S	.	.			trans	-101.7	1.6	-177.1	58	0	0	0	0	114.4	P77 T199 L204	P77-T201 WeakPolarHBondContact CD-O 3.46Å; T199-T201 PolarHBondContact O-N 3.17Å; T201-L204 WeakPolarHBondContact O-CG 3.22Å
202	D	93.6	Very high	90	Very high	19 Å²	19	51.4 Å²	51.4	10%	0.102	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	141.5	178.5	-63	-35.9	0	0	0	112.2	A76 Q200 L204 R300 L304 R308	A76-D202 WeakPolarHBondContact CB-OD1 3.37Å; Q200-D202 VanDerWaalsContact CD-OD2 3.32Å; Q200-D202 PolarHBondContact NE2-OD2 3.13Å; Q200-D202 PolarHBondContact OE1-OD2 3.37Å; D202-L204 VanDerWaalsContact C-N 3.31Å; D202-L204 PolarHBondContact O-N 3.37Å; D202-R300 PolarHBondContact O-NH2 3Å; D202-L304 HydrophobicContact CB-CD2 3.42Å; D202-L304 VanDerWaalsContact CB-CD2 3.42Å; D202-R308 IonicContact OD1-NH2 3.42Å; D202-R308 PolarHBondContact OD1-NH2 3.09Å; D202-R308 IonicContact OD2-CZ 3.57Å; D202-R308 IonicContact OD2-NH1 3.44Å; D202-R308 PolarHBondContact OD2-NH1 2.92Å; D202-R308 IonicContact OD2-NH2 3.39Å; D202-R308 PolarHBondContact OD2-NH2 2.84Å
203	A	96.3	Very high	90.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	42.1	175.3	0	0	0	0	0	113.7	F75 L189 R190 L191 G205 L304	F75-A203 HydrophobicContact CB-CB 3.94Å; F75-A203 WeakPolarHBondContact O-CA 3.33Å; F75-A203 PolarHBondContact O-N 2.91Å; L189-A203 HydrophobicContact CD2-CB 4.14Å; L189-A203 HydrophobicContact CG-CB 4.39Å; L189-A203 CarbonylContact O-C 3.59Å; R190-A203 CarbonylContact C-O 3.47Å; R190-A203 WeakPolarHBondContact CA-O 3.43Å; L191-A203 HydrophobicContact CB-CB 4.34Å; L191-A203 HydrophobicContact CD1-CB 4.13Å; L191-A203 HydrophobicContact CG-CB 3.96Å; L191-A203 PolarHBondContact N-O 2.85Å; A203-G205 PolarHBondContact O-N 2.84Å; A203-L304 HydrophobicContact CB-CD1 4.16Å
204	L	94.9	Very high	90.6	Very high	49 Å²	49	45.4 Å²	45.4	26%	0.257	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-85.7	14.2	174.2	-65.1	-172.5	0	0	0	113.4	R190 P193 T201 D202 Q207	R190-L204 WeakPolarHBondContact CD-O 3.37Å; R190-L204 PolarHBondContact NE-O 3.43Å; P193-L204 HydrophobicContact CB-CD2 4.29Å; P193-L204 HydrophobicContact CG-CD2 3.71Å; T201-L204 WeakPolarHBondContact O-CG 3.22Å; D202-L204 VanDerWaalsContact C-N 3.31Å; D202-L204 PolarHBondContact O-N 3.37Å; L204-Q207 VanDerWaalsContact N-NE2 3.11Å
205	G	96.5	Very high	91.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	72.4	171.4	-169.2	0	0	0	0	0	112.3	L189 A203 Q207	L189-G205 WeakPolarHBondContact O-CA 3.45Å; L189-G205 PolarHBondContact O-N 3.28Å; L189-G205 VanDerWaalsContact O-N 3.13Å; A203-G205 PolarHBondContact O-N 2.84Å; G205-Q207 VanDerWaalsContact O-CD 3.3Å; G205-Q207 PolarHBondContact O-N 3.39Å; G205-Q207 VanDerWaalsContact O-N 3.08Å; G205-Q207 PolarHBondContact O-NE2 2.94Å; G205-Q207 PolarHBondContact O-OE1 3.09Å
206	N	98.4	Very high	92.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.			trans	59	15.8	176	-61.1	-19.8	0	0	0	116.5	G187 G208 L209 L210 P366 V367 D369 L372	G187-N206 CarbonylContact O-C 3.6Å; N206-G208 PolarHBondContact O-N 2.9Å; N206-L209 HydrophobicContact CB-CB 4.39Å; N206-L209 HydrophobicContact CB-CD1 4.32Å; N206-L209 PolarHBondContact O-N 3.17Å; N206-L209 VanDerWaalsContact O-N 3.08Å; N206-L210 WeakPolarHBondContact O-CG 3.35Å; N206-L210 PolarHBondContact O-N 2.98Å; N206-P366 VanDerWaalsContact OD1-CA 3.3Å; N206-P366 WeakPolarHBondContact OD1-CA 3.31Å; N206-V367 PolarHBondContact ND2-O 2.7Å; N206-V367 PolarHBondContact OD1-N 3.12Å; N206-D369 PolarHBondContact ND2-OD2 3.03Å; N206-L372 HydrophobicContact CB-CD2 4.38Å
207	Q	98.5	Very high	93.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-54.5	-42.7	175.6	-70.6	68.4	37.4	0	0	111.3	F75 A76 G187 L189 L204 G205 L209 L210 D211	F75-Q207 VanDerWaalsContact O-CG 3.25Å; F75-Q207 WeakPolarHBondContact O-CG 3.46Å; A76-Q207 WeakPolarHBondContact O-CG 3.17Å; G187-Q207 CarbonylContact O-C 3.25Å; G187-Q207 WeakPolarHBondContact O-CA 3.15Å; G187-Q207 WeakPolarHBondContact O-CB 3.45Å; G187-Q207 PolarHBondContact O-N 3.48Å; G187-Q207 PolarHBondContact O-OE1 2.93Å; L189-Q207 PolarHBondContact O-OE1 2.58Å; L204-Q207 VanDerWaalsContact N-NE2 3.11Å; G205-Q207 VanDerWaalsContact O-CD 3.3Å; G205-Q207 PolarHBondContact O-N 3.39Å; G205-Q207 VanDerWaalsContact O-N 3.08Å; G205-Q207 PolarHBondContact O-NE2 2.94Å; G205-Q207 PolarHBondContact O-OE1 3.09Å; Q207-L209 PolarHBondContact O-N 2.95Å; Q207-L210 PolarHBondContact O-N 2.79Å; Q207-D211 PolarHBondContact O-N 3.45Å; Q207-D211 VanDerWaalsContact O-OD1 3.14Å
208	G	98.7	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-37.2	176.9	0	0	0	0	0	113.3	R182 G187 N206 D211 Q212	R182-G208 WeakPolarHBondContact O-CA 3.35Å; G187-G208 PolarHBondContact O-N 3.46Å; N206-G208 PolarHBondContact O-N 2.9Å; G208-D211 WeakPolarHBondContact O-CB 3.25Å; G208-D211 PolarHBondContact O-N 3.46Å; G208-Q212 WeakPolarHBondContact O-CG 3.16Å; G208-Q212 PolarHBondContact O-N 2.84Å
209	L	98.9	Very high	95.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-72.8	-33.8	174	-64.1	177.5	0	0	0	112.2	F188 N206 Q207 D211 Q212 L213 S244 I247 P366 L372	F188-L209 HydrophobicContact CE1-CG 4.07Å; N206-L209 HydrophobicContact CB-CB 4.39Å; N206-L209 HydrophobicContact CB-CD1 4.32Å; N206-L209 PolarHBondContact O-N 3.17Å; N206-L209 VanDerWaalsContact O-N 3.08Å; Q207-L209 PolarHBondContact O-N 2.95Å; L209-D211 VanDerWaalsContact C-N 3.27Å; L209-D211 PolarHBondContact O-N 3.08Å; L209-Q212 WeakPolarHBondContact O-CB 3.28Å; L209-Q212 PolarHBondContact O-N 2.81Å; L209-L213 PolarHBondContact O-N 3.19Å; L209-S244 WeakPolarHBondContact CD2-OG 3.28Å; L209-I247 HydrophobicContact CD1-CD1 3.89Å; L209-I247 HydrophobicContact CD1-CG2 3.85Å; L209-P366 HydrophobicContact CD1-CB 3.84Å; L209-P366 HydrophobicContact CD1-CG 4.16Å; L209-L372 HydrophobicContact CB-CD2 3.27Å; L209-L372 HydrophobicContact CD1-CD2 3.73Å; L209-L372 HydrophobicContact CG-CD2 4.15Å
210	L	98.8	Very high	96.6	Very high	22 Å²	22	17.9 Å²	17.9	12%	0.115	10%	0.096	C	C	.	.	H	α-helix	trans	-66.8	-31.4	173	-66.6	171.2	0	0	0	111.4	P77 P78 N206 Q207 L213 M214 Y371 L372	P77-L210 HydrophobicContact CB-CD1 4.01Å; P77-L210 HydrophobicContact CG-CD1 4.28Å; P78-L210 HydrophobicContact CG-CB 3.97Å; P78-L210 WeakPolarHBondContact CG-O 3.3Å; N206-L210 WeakPolarHBondContact O-CG 3.35Å; N206-L210 PolarHBondContact O-N 2.98Å; Q207-L210 PolarHBondContact O-N 2.79Å; L210-L213 HydrophobicContact CD2-CD2 4.45Å; L210-L213 PolarHBondContact O-N 2.95Å; L210-M214 WeakPolarHBondContact O-CB 3.39Å; L210-M214 PolarHBondContact O-N 2.82Å; L210-Y371 HydrophobicContact CD2-CD1 4.41Å; L210-Y371 HydrophobicContact CD2-CE1 4.07Å; L210-L372 HydrophobicContact CD2-CB 4.49Å; L210-L372 HydrophobicContact CD2-CD1 4.39Å
211	D	98.9	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-48.2	171.5	-62.2	-21.4	0	0	0	110.3	Y65 P78 L126 R182 Q207 G208 L209 L213 M214 A215	Y65-D211 VanDerWaalsContact CE2-O 3.25Å; Y65-D211 WeakPolarHBondContact CE2-O 3.11Å; P78-D211 VanDerWaalsContact CB-OD1 3.26Å; P78-D211 WeakPolarHBondContact CB-OD1 3.19Å; P78-D211 WeakPolarHBondContact CD-OD1 3.48Å; P78-D211 VanDerWaalsContact CG-OD1 3.29Å; P78-D211 WeakPolarHBondContact CG-OD1 3.42Å; L126-D211 HydrophobicContact CD2-CB 4.07Å; L126-D211 WeakPolarHBondContact CD2-OD2 3.29Å; R182-D211 VanDerWaalsContact CB-OD2 3.31Å; R182-D211 WeakPolarHBondContact CB-OD2 3.14Å; R182-D211 WeakPolarHBondContact CG-OD2 3.41Å; R182-D211 IonicContact CZ-OD1 3.13Å; R182-D211 IonicContact CZ-OD2 3.22Å; R182-D211 PolarHBondContact N-OD2 3.46Å; R182-D211 IonicContact NE-OD1 2.7Å; R182-D211 PolarHBondContact NE-OD1 2.98Å; R182-D211 IonicContact NE-OD2 2.99Å; R182-D211 PolarHBondContact NE-OD2 2.75Å; R182-D211 IonicContact NH2-OD1 3.49Å; R182-D211 PolarHBondContact NH2-OD1 2.9Å; R182-D211 IonicContact NH2-OD2 2.59Å; Q207-D211 PolarHBondContact O-N 3.45Å; Q207-D211 VanDerWaalsContact O-OD1 3.14Å; G208-D211 WeakPolarHBondContact O-CB 3.25Å; G208-D211 PolarHBondContact O-N 3.46Å; L209-D211 VanDerWaalsContact C-N 3.27Å; L209-D211 PolarHBondContact O-N 3.08Å; D211-L213 PolarHBondContact O-N 3.42Å; D211-M214 WeakPolarHBondContact O-CB 3.38Å; D211-M214 PolarHBondContact O-N 3.17Å; D211-M214 VanDerWaalsContact O-N 3.13Å; D211-A215 PolarHBondContact O-N 2.89Å
212	Q	98.9	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-43.6	175.7	-60.9	166.8	8.3	0	0	111.8	I148 M179 Y181 G208 L209 M214 A215 L216 S244 L248	I148-Q212 HydrophobicContact CG2-CG 4.27Å; M179-Q212 HydrophobicContact SD-CG 4.48Å; Y181-Q212 HydrophobicContact CD1-CG 3.98Å; Y181-Q212 HydrophobicContact CD2-CG 4.49Å; Y181-Q212 HydrophobicContact CG-CG 3.85Å; G208-Q212 WeakPolarHBondContact O-CG 3.16Å; G208-Q212 PolarHBondContact O-N 2.84Å; L209-Q212 WeakPolarHBondContact O-CB 3.28Å; L209-Q212 PolarHBondContact O-N 2.81Å; Q212-M214 VanDerWaalsContact C-N 3.3Å; Q212-M214 PolarHBondContact O-N 3Å; Q212-A215 WeakPolarHBondContact O-CB 3.31Å; Q212-A215 PolarHBondContact O-N 3.09Å; Q212-L216 WeakPolarHBondContact O-CG 3.48Å; Q212-L216 PolarHBondContact O-N 2.84Å; Q212-S244 PolarHBondContact NE2-OG 2.62Å; Q212-S244 VanDerWaalsContact NE2-OG 3.14Å; Q212-L248 HydrophobicContact CB-CD1 4.34Å
213	L	98.8	Very high	98.2	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	8%	0.077	C	C	.	.	H	α-helix	trans	-62.2	-37.1	174.7	178.9	58.1	0	0	0	112	L209 L210 D211 L216 K217 L248 I253 A254 Y257 L372	L209-L213 PolarHBondContact O-N 3.19Å; L210-L213 HydrophobicContact CD2-CD2 4.45Å; L210-L213 PolarHBondContact O-N 2.95Å; D211-L213 PolarHBondContact O-N 3.42Å; L213-L216 PolarHBondContact O-N 3Å; L213-K217 WeakPolarHBondContact O-CG 3.23Å; L213-K217 PolarHBondContact O-N 3.09Å; L213-L248 HydrophobicContact CB-CD2 4.44Å; L213-I253 HydrophobicContact CD2-CD1 3.89Å; L213-I253 HydrophobicContact CD2-CG1 4.14Å; L213-A254 HydrophobicContact CD1-CB 3.78Å; L213-Y257 HydrophobicContact CD1-CD2 3.72Å; L213-Y257 HydrophobicContact CD1-CE2 3.89Å; L213-L372 HydrophobicContact CD2-CD1 3.87Å
214	M	98.8	Very high	98.2	Very high	26 Å²	26	16.3 Å²	16.3	13%	0.128	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-40.6	174.3	-172.1	68.6	74.3	0	0	111.4	Y65 A66 P78 K80 L210 D211 Q212 K217 W218	Y65-M214 HydrophobicContact CD2-CB 4.09Å; Y65-M214 HydrophobicContact CD2-CG 3.86Å; Y65-M214 HydrophobicContact CE2-CB 4.04Å; Y65-M214 HydrophobicContact CE2-CG 4.22Å; A66-M214 HydrophobicContact CB-CG 4.16Å; P78-M214 HydrophobicContact CB-CB 4.44Å; P78-M214 HydrophobicContact CB-CE 4.29Å; P78-M214 HydrophobicContact CG-CB 4.13Å; P78-M214 HydrophobicContact CG-CE 4.22Å; P78-M214 WeakPolarHBondContact O-CE 3.44Å; K80-M214 HydrophobicContact CB-CE 4.28Å; K80-M214 HydrophobicContact CB-SD 4Å; K80-M214 HydrophobicContact CG-SD 4.45Å; L210-M214 WeakPolarHBondContact O-CB 3.39Å; L210-M214 PolarHBondContact O-N 2.82Å; D211-M214 WeakPolarHBondContact O-CB 3.38Å; D211-M214 PolarHBondContact O-N 3.17Å; D211-M214 VanDerWaalsContact O-N 3.13Å; Q212-M214 VanDerWaalsContact C-N 3.3Å; Q212-M214 PolarHBondContact O-N 3Å; M214-K217 WeakPolarHBondContact O-CB 3.3Å; M214-K217 PolarHBondContact O-N 3.39Å; M214-W218 PolarHBondContact O-N 2.81Å
215	A	98.9	Very high	98.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-40.9	173.5	0	0	0	0	0	111.8	Y65 L128 M179 D211 Q212 K217 W218 V219	Y65-A215 HydrophobicContact CD1-CB 4.23Å; Y65-A215 HydrophobicContact CD2-CB 4.01Å; Y65-A215 HydrophobicContact CE1-CB 4.17Å; Y65-A215 HydrophobicContact CE2-CB 3.99Å; Y65-A215 HydrophobicContact CG-CB 4.15Å; L128-A215 HydrophobicContact CD2-CB 4.36Å; M179-A215 HydrophobicContact CB-CB 3.77Å; M179-A215 HydrophobicContact CG-CB 3.7Å; D211-A215 PolarHBondContact O-N 2.89Å; Q212-A215 WeakPolarHBondContact O-CB 3.31Å; Q212-A215 PolarHBondContact O-N 3.09Å; A215-K217 VanDerWaalsContact C-N 3.35Å; A215-K217 PolarHBondContact O-N 2.86Å; A215-W218 WeakPolarHBondContact O-CB 3.33Å; A215-W218 PolarHBondContact O-N 3.03Å; A215-W218 VanDerWaalsContact O-N 3.15Å; A215-V219 WeakPolarHBondContact O-CG2 3.46Å; A215-V219 PolarHBondContact O-N 2.78Å
216	L	98.9	Very high	98.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-37.9	175.2	-69.1	176.1	0	0	0	112.8	V146 Q212 L213 V219 S220 I235 L248 Y257 F258	V146-L216 HydrophobicContact CB-CD2 4.34Å; V146-L216 HydrophobicContact CG1-CD2 3.86Å; V146-L216 HydrophobicContact CG2-CD2 4.39Å; Q212-L216 WeakPolarHBondContact O-CG 3.48Å; Q212-L216 PolarHBondContact O-N 2.84Å; L213-L216 PolarHBondContact O-N 3Å; L216-V219 PolarHBondContact O-N 3.37Å; L216-S220 WeakPolarHBondContact O-CB 3.32Å; L216-S220 PolarHBondContact O-N 3.16Å; L216-I235 HydrophobicContact CD1-CG2 4.29Å; L216-I235 HydrophobicContact CD2-CG2 3.61Å; L216-L248 HydrophobicContact CD1-CD1 3.99Å; L216-Y257 HydrophobicContact CB-CG 4.5Å; L216-F258 HydrophobicContact CD1-CD1 4.19Å
217	K	98.7	Very high	97.9	Very high	62 Å²	62	19.9 Å²	19.9	27%	0.27	11%	0.105	S	C	.	.	H	α-helix	trans	-61.1	-45	170.4	-74.1	170.5	179.5	178.6	0	111.2	L213 M214 A215 V219 S220 E221 Y257	L213-K217 WeakPolarHBondContact O-CG 3.23Å; L213-K217 PolarHBondContact O-N 3.09Å; M214-K217 WeakPolarHBondContact O-CB 3.3Å; M214-K217 PolarHBondContact O-N 3.39Å; A215-K217 VanDerWaalsContact C-N 3.35Å; A215-K217 PolarHBondContact O-N 2.86Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 2.88Å; K217-S220 PolarHBondContact O-N 3.48Å; K217-E221 WeakPolarHBondContact O-CG 3.45Å; K217-E221 PolarHBondContact O-N 3.28Å; K217-Y257 HydrophobicContact CB-CE1 4.34Å; K217-Y257 WeakPolarHBondContact CE-OH 3.46Å; K217-Y257 HydrophobicContact CG-CD1 4.16Å; K217-Y257 HydrophobicContact CG-CD2 4.47Å; K217-Y257 HydrophobicContact CG-CE1 3.57Å; K217-Y257 HydrophobicContact CG-CE2 3.95Å; K217-Y257 VanDerWaalsContact CG-CZ 3.46Å
218	W	98.7	Very high	97.9	Very high	17 Å²	17	19.9 Å²	19.9	6%	0.064	10%	0.104	C	C	.	.	H	α-helix	trans	-59.5	-43.2	175.6	-176.4	100.8	0	0	0	112	L35 I63 L128 V130 M214 A215 E221 N222 F226	L35-W218 HydrophobicContact CD1-CZ2 4.2Å; L35-W218 HydrophobicContact CD2-CZ2 4.13Å; I63-W218 HydrophobicContact CD1-CH2 4Å; I63-W218 HydrophobicContact CD1-CZ2 4.23Å; I63-W218 HydrophobicContact CG2-CH2 4.48Å; I63-W218 HydrophobicContact CG2-CZ2 3.76Å; L128-W218 HydrophobicContact CD1-CD2 4.46Å; L128-W218 HydrophobicContact CD1-CE3 3.93Å; L128-W218 HydrophobicContact CD1-CH2 3.87Å; L128-W218 HydrophobicContact CD1-CZ2 4.39Å; L128-W218 HydrophobicContact CD1-CZ3 3.61Å; L128-W218 HydrophobicContact CD2-CB 4.36Å; L128-W218 HydrophobicContact CD2-CD2 3.71Å; L128-W218 HydrophobicContact CD2-CE3 3.43Å; L128-W218 VanDerWaalsContact CD2-CE3 3.43Å; L128-W218 HydrophobicContact CD2-CG 4.1Å; L128-W218 HydrophobicContact CD2-CZ3 4.02Å; L128-W218 HydrophobicContact CG-CE3 4.31Å; L128-W218 HydrophobicContact CG-CZ3 4.48Å; V130-W218 HydrophobicContact CG2-CH2 4.31Å; V130-W218 HydrophobicContact CG2-CZ3 4.24Å; M214-W218 PolarHBondContact O-N 2.81Å; A215-W218 WeakPolarHBondContact O-CB 3.33Å; A215-W218 PolarHBondContact O-N 3.03Å; A215-W218 VanDerWaalsContact O-N 3.15Å; W218-E221 PolarHBondContact O-N 3.26Å; W218-N222 HydrophobicContact CD2-CB 4.19Å; W218-N222 HydrophobicContact CE3-CB 4.32Å; W218-N222 HydrophobicContact CH2-CB 4.01Å; W218-N222 HydrophobicContact CZ2-CB 3.85Å; W218-N222 HydrophobicContact CZ3-CB 4.24Å; W218-N222 WeakPolarHBondContact O-CB 3.29Å; W218-N222 PolarHBondContact O-N 3.11Å; W218-N222 PolarHBondContact O-ND2 2.98Å; W218-F226 HydrophobicContact CH2-CD2 4.45Å; W218-F226 AromaticContact CH2-CE2 3.59Å; W218-F226 HydrophobicContact CH2-CE2 3.59Å; W218-F226 AromaticContact CH2-CZ 3.9Å; W218-F226 HydrophobicContact CH2-CZ 3.9Å; W218-F226 HydrophobicContact CZ2-CE2 4.26Å; W218-F226 HydrophobicContact CZ2-CZ 4.49Å; W218-F226 HydrophobicContact CZ3-CE2 4.47Å
219	V	98.8	Very high	97.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-50.4	176.2	169.4	0	0	0	0	110	V144 V146 V177 A215 L216 K217 E221 N222 I223 V233	V144-V219 HydrophobicContact CG1-CG1 4.28Å; V146-V219 HydrophobicContact CG2-CG1 4.31Å; V146-V219 HydrophobicContact CG2-CG2 4.4Å; V177-V219 HydrophobicContact CG1-CG2 3.94Å; V177-V219 HydrophobicContact CG2-CG2 4.37Å; A215-V219 WeakPolarHBondContact O-CG2 3.46Å; A215-V219 PolarHBondContact O-N 2.78Å; L216-V219 PolarHBondContact O-N 3.37Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 2.88Å; V219-E221 PolarHBondContact O-N 3.45Å; V219-N222 PolarHBondContact O-N 3.47Å; V219-I223 HydrophobicContact CG1-CB 3.94Å; V219-I223 HydrophobicContact CG1-CG1 4.26Å; V219-I223 HydrophobicContact CG1-CG2 4.04Å; V219-I223 WeakPolarHBondContact O-CB 3.44Å; V219-I223 WeakPolarHBondContact O-CG2 3.28Å; V219-I223 PolarHBondContact O-N 3.42Å; V219-V233 HydrophobicContact CG1-CG2 4.11Å
220	S	98.3	Very high	97.7	Very high	48 Å²	48	23.1 Å²	23.1	34%	0.336	12%	0.124	S	C	.	.	H	α-helix	trans	-56.9	-38.5	178.4	179.8	0	0	0	0	112.8	L216 K217	L216-S220 WeakPolarHBondContact O-CB 3.32Å; L216-S220 PolarHBondContact O-N 3.16Å; K217-S220 PolarHBondContact O-N 3.48Å
221	E	97.9	Very high	97.6	Very high	84 Å²	84	28.1 Å²	28.1	39%	0.393	15%	0.151	S	C	.	.	H	α-helix	trans	-76.9	-37	179.5	-69.8	174.8	-176	0	0	113.3	T36 K80 K217 W218 V219	T36-E221 WeakPolarHBondContact CG2-O 3.49Å; K80-E221 WeakPolarHBondContact CE-OE2 3.43Å; K80-E221 IonicContact NZ-OE1 3.22Å; K80-E221 PolarHBondContact NZ-OE1 3.37Å; K80-E221 IonicContact NZ-OE2 3.64Å; K80-E221 PolarHBondContact NZ-OE2 3.31Å; K217-E221 WeakPolarHBondContact O-CG 3.45Å; K217-E221 PolarHBondContact O-N 3.28Å; W218-E221 PolarHBondContact O-N 3.26Å; V219-E221 PolarHBondContact O-N 3.45Å
222	N	98.2	Very high	97.6	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-116.5	-21	-164.3	-63.7	-77.1	0	0	0	115.3	L35 T36 W218 V219 G224 Q225 F226	L35-N222 HydrophobicContact CD2-CB 4.19Å; T36-N222 PolarHBondContact N-OD1 3.47Å; T36-N222 VanDerWaalsContact N-OD1 3.16Å; T36-N222 PolarHBondContact OG1-OD1 3.15Å; W218-N222 HydrophobicContact CD2-CB 4.19Å; W218-N222 HydrophobicContact CE3-CB 4.32Å; W218-N222 HydrophobicContact CH2-CB 4.01Å; W218-N222 HydrophobicContact CZ2-CB 3.85Å; W218-N222 HydrophobicContact CZ3-CB 4.24Å; W218-N222 WeakPolarHBondContact O-CB 3.29Å; W218-N222 PolarHBondContact O-N 3.11Å; W218-N222 PolarHBondContact O-ND2 2.98Å; V219-N222 PolarHBondContact O-N 3.47Å; N222-G224 PolarHBondContact O-N 2.91Å; N222-G224 VanDerWaalsContact O-N 3.09Å; N222-Q225 WeakPolarHBondContact O-CB 3.19Å; N222-Q225 PolarHBondContact O-N 3.45Å; N222-F226 WeakPolarHBondContact O-CD2 3.32Å
223	I	97.8	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-64.6	-23	-169.1	-154.3	63.8	0	0	0	113.5	V130 V144 I175 V177 V219 Q225 F226 H227 G228 P230	V130-I223 HydrophobicContact CG1-CD1 4.16Å; V144-I223 HydrophobicContact CG1-CD1 4.44Å; V144-I223 HydrophobicContact CG1-CG1 3.99Å; V144-I223 HydrophobicContact CG2-CG1 3.7Å; V144-I223 HydrophobicContact CG2-CG2 4.13Å; I175-I223 HydrophobicContact CG2-CD1 3.94Å; I175-I223 HydrophobicContact CG2-CG1 4.4Å; V177-I223 HydrophobicContact CG2-CD1 3.79Å; V219-I223 HydrophobicContact CG1-CB 3.94Å; V219-I223 HydrophobicContact CG1-CG1 4.26Å; V219-I223 HydrophobicContact CG1-CG2 4.04Å; V219-I223 WeakPolarHBondContact O-CB 3.44Å; V219-I223 WeakPolarHBondContact O-CG2 3.28Å; V219-I223 PolarHBondContact O-N 3.42Å; I223-Q225 PolarHBondContact O-N 3.27Å; I223-F226 HydrophobicContact CD1-CB 4.23Å; I223-F226 HydrophobicContact CD1-CD2 4.34Å; I223-F226 HydrophobicContact CD1-CG 4.44Å; I223-F226 CarbonylContact O-C 3.57Å; I223-F226 WeakPolarHBondContact O-CA 3.4Å; I223-F226 WeakPolarHBondContact O-CB 3.44Å; I223-F226 PolarHBondContact O-N 3.19Å; I223-H227 PolarHBondContact O-N 3.39Å; I223-G228 WeakPolarHBondContact O-CA 3.22Å; I223-G228 PolarHBondContact O-N 3.33Å; I223-P230 HydrophobicContact CG2-CB 4.05Å
224	G	95.5	Very high	97.6	Very high	25 Å²	25	30.6 Å²	30.6	26%	0.258	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-57.9	-32.8	171	0	0	0	0	0	113.4	N222 F226 H227 G228	N222-G224 PolarHBondContact O-N 2.91Å; N222-G224 VanDerWaalsContact O-N 3.09Å; G224-F226 PolarHBondContact O-N 2.95Å; G224-H227 PolarHBondContact O-N 3.19Å; G224-G228 WeakPolarHBondContact CA-O 3.46Å
225	Q	94.8	Very high	97.6	Very high	90 Å²	90	29.3 Å²	29.3	42%	0.421	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-69.3	-23.2	176.1	-54.4	-59.4	-45.1	0	0	112.3	I33 P34 N222 I223 H227	I33-Q225 HydrophobicContact CG2-CB 3.69Å; I33-Q225 WeakPolarHBondContact CG2-O 3.37Å; P34-Q225 VanDerWaalsContact O-CB 3.27Å; P34-Q225 WeakPolarHBondContact O-CB 3.2Å; P34-Q225 VanDerWaalsContact O-CG 3.27Å; P34-Q225 WeakPolarHBondContact O-CG 3.38Å; N222-Q225 WeakPolarHBondContact O-CB 3.19Å; N222-Q225 PolarHBondContact O-N 3.45Å; I223-Q225 PolarHBondContact O-N 3.27Å; Q225-H227 VanDerWaalsContact C-N 3.29Å
226	F	95.2	Very high	97.6	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.013	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-92.6	11.5	174.5	-60.2	-98.7	0	0	0	112.2	I33 L35 V41 F60 I63 V130 T132 I175 W218 N222 I223 G224 G228	I33-F226 HydrophobicContact CB-CE1 4.17Å; I33-F226 HydrophobicContact CB-CZ 4.35Å; I33-F226 HydrophobicContact CG1-CD1 4.13Å; I33-F226 HydrophobicContact CG1-CE1 4.08Å; I33-F226 HydrophobicContact CG2-CD1 4.21Å; I33-F226 HydrophobicContact CG2-CD2 4.18Å; I33-F226 HydrophobicContact CG2-CE1 4.04Å; I33-F226 HydrophobicContact CG2-CE2 4Å; I33-F226 HydrophobicContact CG2-CG 4.29Å; I33-F226 HydrophobicContact CG2-CZ 3.94Å; L35-F226 HydrophobicContact CD2-CE2 3.61Å; L35-F226 HydrophobicContact CD2-CZ 3.87Å; V41-F226 HydrophobicContact CG2-CE1 4.04Å; V41-F226 HydrophobicContact CG2-CZ 3.8Å; F60-F226 HydrophobicContact CB-CE1 4.22Å; F60-F226 AromaticContact CD1-CE1 3.98Å; F60-F226 HydrophobicContact CD1-CE1 3.98Å; F60-F226 AromaticContact CD2-CD1 3.91Å; F60-F226 HydrophobicContact CD2-CD1 3.91Å; F60-F226 AromaticContact CD2-CE1 3.76Å; F60-F226 HydrophobicContact CD2-CE1 3.76Å; F60-F226 HydrophobicContact CE1-CE1 4.29Å; F60-F226 AromaticContact CE2-CD1 3.97Å; F60-F226 HydrophobicContact CE2-CD1 3.97Å; F60-F226 HydrophobicContact CE2-CE1 4.09Å; F60-F226 HydrophobicContact CG-CD1 4.34Å; F60-F226 AromaticContact CG-CE1 3.72Å; F60-F226 HydrophobicContact CG-CE1 3.72Å; F60-F226 HydrophobicContact CZ-CD1 4.45Å; F60-F226 HydrophobicContact CZ-CE1 4.35Å; I63-F226 HydrophobicContact CD1-CE1 4.34Å; I63-F226 HydrophobicContact CD1-CZ 3.99Å; V130-F226 HydrophobicContact CB-CD1 4.37Å; V130-F226 HydrophobicContact CB-CE1 4.41Å; V130-F226 HydrophobicContact CG1-CB 4.41Å; V130-F226 HydrophobicContact CG1-CD1 3.87Å; V130-F226 HydrophobicContact CG1-CE1 4.39Å; V130-F226 HydrophobicContact CG1-CG 4.19Å; T132-F226 PolarHBondContact OG1-O 2.98Å; I175-F226 HydrophobicContact CD1-CB 4.37Å; I175-F226 WeakPolarHBondContact CD1-O 3.25Å; W218-F226 HydrophobicContact CH2-CD2 4.45Å; W218-F226 AromaticContact CH2-CE2 3.59Å; W218-F226 HydrophobicContact CH2-CE2 3.59Å; W218-F226 AromaticContact CH2-CZ 3.9Å; W218-F226 HydrophobicContact CH2-CZ 3.9Å; W218-F226 HydrophobicContact CZ2-CE2 4.26Å; W218-F226 HydrophobicContact CZ2-CZ 4.49Å; W218-F226 HydrophobicContact CZ3-CE2 4.47Å; N222-F226 WeakPolarHBondContact O-CD2 3.32Å; I223-F226 HydrophobicContact CD1-CB 4.23Å; I223-F226 HydrophobicContact CD1-CD2 4.34Å; I223-F226 HydrophobicContact CD1-CG 4.44Å; I223-F226 CarbonylContact O-C 3.57Å; I223-F226 WeakPolarHBondContact O-CA 3.4Å; I223-F226 WeakPolarHBondContact O-CB 3.44Å; I223-F226 PolarHBondContact O-N 3.19Å; G224-F226 PolarHBondContact O-N 2.95Å; F226-G228 VanDerWaalsContact C-N 3.31Å
227	H	94.8	Very high	97.6	Very high	32 Å²	32	29.2 Å²	29.2	15%	0.148	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	19.2	-177.7	-151.5	-54.7	0	0	0	114.3	S136 S139 P140 H141 L142 I223 G224 Q225	S136-H227 PolarHBondContact O-NE2 3.38Å; S139-H227 PolarHBondContact O-CE1 3.29Å; S139-H227 PolarHBondContact O-NE2 3.27Å; P140-H227 VanDerWaalsContact C-CE1 3.43Å; P140-H227 PolarHBondContact O-CE1 2.85Å; H141-H227 WeakPolarHBondContact CA-O 3.47Å; H141-H227 AromaticContact CD2-CE1 3.82Å; H141-H227 AromaticContact CD2-ND1 3.59Å; L142-H227 PolarHBondContact N-O 3.22Å; I223-H227 PolarHBondContact O-N 3.39Å; G224-H227 PolarHBondContact O-N 3.19Å; Q225-H227 VanDerWaalsContact C-N 3.29Å
228	G	96.9	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	150.3	175.6	0	0	0	0	0	113.4	L142 I175 I223 G224 F226 P230	L142-G228 CarbonylContact O-C 3.58Å; L142-G228 WeakPolarHBondContact O-CA 3.42Å; I175-G228 VanDerWaalsContact CD1-N 3.27Å; I223-G228 WeakPolarHBondContact O-CA 3.22Å; I223-G228 PolarHBondContact O-N 3.33Å; G224-G228 WeakPolarHBondContact CA-O 3.46Å; F226-G228 VanDerWaalsContact C-N 3.31Å; G228-P230 VanDerWaalsContact O-CD 3.28Å; G228-P230 WeakPolarHBondContact O-CD 3.41Å
229	D	96.8	Very high	97.6	Very high	29 Å²	29	26 Å²	26	16%	0.155	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	107.6	171.2	-175	-4.8	0	0	0	110	H141 L142 N231 Q232	H141-D229 HydrophobicContact CB-CB 3.84Å; L142-D229 PolarHBondContact O-N 2.99Å; D229-N231 PolarHBondContact O-N 2.89Å; D229-N231 VanDerWaalsContact O-N 3.09Å; D229-N231 WeakPolarHBondContact OD1-CB 3.46Å; D229-N231 PolarHBondContact OD1-N 3.35Å; D229-N231 PolarHBondContact OD1-ND2 2.89Å; D229-Q232 HydrophobicContact CB-CB 4.12Å; D229-Q232 HydrophobicContact CB-CG 4.49Å; D229-Q232 PolarHBondContact O-N 3.21Å; D229-Q232 WeakPolarHBondContact OD2-CG 3.41Å; D229-Q232 PolarHBondContact OD2-NE2 3.48Å
230	P	97.4	Very high	97.6	Very high	39 Å²	39	26 Å²	26	25%	0.253	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-14.2	178.5	27.5	-35.2	0	0	0	113.2	I223 G228 V233	I223-P230 HydrophobicContact CG2-CB 4.05Å; G228-P230 VanDerWaalsContact O-CD 3.28Å; G228-P230 WeakPolarHBondContact O-CD 3.41Å; P230-V233 WeakPolarHBondContact O-CG2 3.48Å
231	N	97.2	Very high	97.6	Very high	127 Å²	127	23.7 Å²	23.7	68%	0.679	13%	0.126	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	-8.4	175.8	-55.2	-65.7	0	0	0	113.3	D229	D229-N231 PolarHBondContact O-N 2.89Å; D229-N231 VanDerWaalsContact O-N 3.09Å; D229-N231 WeakPolarHBondContact OD1-CB 3.46Å; D229-N231 PolarHBondContact OD1-N 3.35Å; D229-N231 PolarHBondContact OD1-ND2 2.89Å
232	Q	97.4	Very high	97.6	Very high	55 Å²	55	19.7 Å²	19.7	26%	0.257	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	46.8	177.6	-67.8	-171.6	75.8	0	0	111.7	P143 V144 D229 K596	P143-Q232 HydrophobicContact CB-CB 4.34Å; V144-Q232 PolarHBondContact N-O 3.3Å; D229-Q232 HydrophobicContact CB-CB 4.12Å; D229-Q232 HydrophobicContact CB-CG 4.49Å; D229-Q232 PolarHBondContact O-N 3.21Å; D229-Q232 WeakPolarHBondContact OD2-CG 3.41Å; D229-Q232 PolarHBondContact OD2-NE2 3.48Å; Q232-K596 PolarHBondContact OE1-O 2.99Å
233	V	98.8	Very high	97.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.1	173.2	176.2	0	0	0	0	110.1	V144 V146 V219 P230 I235 F258 R259 R260	V144-V233 HydrophobicContact CB-CG2 4.11Å; V144-V233 CarbonylContact O-C 3.53Å; V144-V233 WeakPolarHBondContact O-CA 3.43Å; V146-V233 HydrophobicContact CG2-CG1 3.74Å; V219-V233 HydrophobicContact CG1-CG2 4.11Å; P230-V233 WeakPolarHBondContact O-CG2 3.48Å; V233-I235 HydrophobicContact CG1-CG2 4.45Å; V233-F258 HydrophobicContact CB-CB 4.16Å; V233-F258 HydrophobicContact CG1-CB 3.8Å; V233-R259 PolarHBondContact O-N 3.07Å; V233-R260 PolarHBondContact O-N 3.44Å
234	T	98.9	Very high	97.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.6	170.9	-58.7	0	0	0	0	108.4	V144 M145 V146 R260 I262 F594 A595	V144-T234 PolarHBondContact O-N 3.19Å; M145-T234 CarbonylContact C-O 3.49Å; M145-T234 VanDerWaalsContact CA-O 3.29Å; M145-T234 WeakPolarHBondContact CA-O 3.28Å; V146-T234 PolarHBondContact N-O 2.98Å; T234-R260 WeakPolarHBondContact CA-O 3.42Å; T234-R260 HydrophobicContact CG2-CB 3.97Å; T234-I262 HydrophobicContact CG2-CD1 3.94Å; T234-I262 HydrophobicContact CG2-CG1 3.84Å; T234-F594 HydrophobicContact CG2-CD1 4.45Å; T234-F594 HydrophobicContact CG2-CE1 4.34Å; T234-A595 HydrophobicContact CG2-CB 4.32Å; T234-A595 WeakPolarHBondContact OG1-CA 3.46Å
235	I	98.9	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.8	172.5	55.9	171.4	0	0	0	109.2	V146 L216 V233 V245 L248 F258 R260 A261 I262	V146-I235 HydrophobicContact CB-CG2 4.18Å; V146-I235 WeakPolarHBondContact O-CA 2.92Å; L216-I235 HydrophobicContact CD1-CG2 4.29Å; L216-I235 HydrophobicContact CD2-CG2 3.61Å; V233-I235 HydrophobicContact CG1-CG2 4.45Å; I235-V245 HydrophobicContact CB-CG2 4.32Å; I235-V245 HydrophobicContact CD1-CB 4.28Å; I235-V245 HydrophobicContact CD1-CG1 3.72Å; I235-V245 HydrophobicContact CD1-CG2 4.27Å; I235-V245 HydrophobicContact CG1-CG1 3.82Å; I235-V245 HydrophobicContact CG1-CG2 4.32Å; I235-L248 HydrophobicContact CD1-CB 4.15Å; I235-F258 HydrophobicContact CD1-CD1 3.85Å; I235-F258 HydrophobicContact CD1-CD2 3.7Å; I235-F258 HydrophobicContact CD1-CE1 3.78Å; I235-F258 HydrophobicContact CD1-CE2 3.62Å; I235-F258 HydrophobicContact CD1-CG 3.83Å; I235-F258 HydrophobicContact CD1-CZ 3.69Å; I235-F258 HydrophobicContact CG1-CB 4.43Å; I235-F258 HydrophobicContact CG1-CD1 4.38Å; I235-F258 HydrophobicContact CG1-CD2 3.72Å; I235-F258 HydrophobicContact CG1-CE2 4.1Å; I235-F258 HydrophobicContact CG1-CG 3.9Å; I235-F258 HydrophobicContact CG2-CB 3.91Å; I235-F258 HydrophobicContact CG2-CD1 4.2Å; I235-F258 HydrophobicContact CG2-CG 4Å; I235-R260 PolarHBondContact N-O 3.25Å; I235-A261 HydrophobicContact CG1-CB 4.22Å; I235-A261 CarbonylContact O-C 3.49Å; I235-A261 VanDerWaalsContact O-CA 3.32Å; I235-A261 WeakPolarHBondContact O-CA 3.49Å; I235-I262 PolarHBondContact O-N 3.16Å
236	F	98.9	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.1	178.9	71.7	-57.8	0	0	0	110.9	M145 V146 W147 I148 I262 I560 F561	M145-F236 HydrophobicContact CB-CD1 4.04Å; M145-F236 HydrophobicContact CB-CE1 3.66Å; M145-F236 HydrophobicContact CB-CZ 4.38Å; M145-F236 HydrophobicContact CE-CD1 4.23Å; M145-F236 HydrophobicContact CE-CD2 4.24Å; M145-F236 HydrophobicContact CE-CE1 4.26Å; M145-F236 HydrophobicContact CE-CE2 4.26Å; M145-F236 HydrophobicContact CE-CG 4.25Å; M145-F236 HydrophobicContact CE-CZ 4.28Å; V146-F236 VanDerWaalsContact C-CD1 3.44Å; V146-F236 VanDerWaalsContact C-CE1 3.48Å; V146-F236 VanDerWaalsContact O-CD1 3.26Å; V146-F236 WeakPolarHBondContact O-CD1 3.33Å; V146-F236 PolarHBondContact O-N 2.92Å; W147-F236 CarbonylContact C-O 3.57Å; W147-F236 VanDerWaalsContact CA-CE1 3.5Å; W147-F236 WeakPolarHBondContact CA-O 3.1Å; W147-F236 HydrophobicContact CB-CD1 4.36Å; W147-F236 HydrophobicContact CB-CE1 3.65Å; W147-F236 HydrophobicContact CB-CE2 4.49Å; W147-F236 HydrophobicContact CB-CZ 3.73Å; W147-F236 HydrophobicContact CD2-CE2 4.19Å; W147-F236 HydrophobicContact CD2-CZ 4.28Å; W147-F236 HydrophobicContact CE3-CD1 4.25Å; W147-F236 AromaticContact CE3-CD2 3.35Å; W147-F236 HydrophobicContact CE3-CD2 3.35Å; W147-F236 HydrophobicContact CE3-CE1 4.2Å; W147-F236 AromaticContact CE3-CE2 3.3Å; W147-F236 HydrophobicContact CE3-CE2 3.3Å; W147-F236 AromaticContact CE3-CG 3.82Å; W147-F236 HydrophobicContact CE3-CG 3.82Å; W147-F236 AromaticContact CE3-CZ 3.75Å; W147-F236 HydrophobicContact CE3-CZ 3.75Å; W147-F236 HydrophobicContact CG-CZ 4.33Å; W147-F236 AromaticContact CZ3-CD2 3.63Å; W147-F236 HydrophobicContact CZ3-CD2 3.63Å; W147-F236 AromaticContact CZ3-CE2 3.82Å; W147-F236 HydrophobicContact CZ3-CE2 3.82Å; W147-F236 HydrophobicContact CZ3-CG 4.34Å; W147-F236 VanDerWaalsContact N-CE1 3.3Å; I148-F236 PolarHBondContact N-O 3.49Å; F236-I262 WeakPolarHBondContact CA-O 3.35Å; F236-I262 HydrophobicContact CB-CB 3.6Å; F236-I262 HydrophobicContact CB-CD1 4.05Å; F236-I262 HydrophobicContact CB-CG1 4.09Å; F236-I262 HydrophobicContact CB-CG2 4.35Å; F236-I560 HydrophobicContact CE2-CG2 4.42Å; F236-F561 AromaticContact CE2-CE2 3.92Å; F236-F561 HydrophobicContact CE2-CE2 3.92Å; F236-F561 AromaticContact CE2-CZ 3.8Å; F236-F561 HydrophobicContact CE2-CZ 3.8Å; F236-F561 HydrophobicContact CZ-CE1 4.38Å; F236-F561 HydrophobicContact CZ-CE2 4.35Å; F236-F561 AromaticContact CZ-CZ 3.76Å; F236-F561 HydrophobicContact CZ-CZ 3.76Å
237	G	98.9	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	162.1	-178.1	0	0	0	0	0	111.4	I148 A242 I262 Q264	I148-G237 WeakPolarHBondContact O-CA 3.03Å; G237-A242 WeakPolarHBondContact O-CB 3.5Å; G237-I262 PolarHBondContact N-O 2.87Å; G237-Q264 PolarHBondContact O-N 3.36Å
238	E	98.9	Very high	98.4	Very high	8 Å²	8	12.5 Å²	12.5	4%	0.037	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.5	179.7	-174.2	-82.1	162.5	0	0	110.4	W147 G150 A240 G241 A242 Q264 H553 G554 E556 I557	W147-E238 HydrophobicContact CH2-CB 3.65Å; W147-E238 HydrophobicContact CZ2-CB 4.39Å; W147-E238 HydrophobicContact CZ3-CB 4.46Å; G150-E238 VanDerWaalsContact CA-O 3.22Å; G150-E238 WeakPolarHBondContact CA-O 3.17Å; G150-E238 PolarHBondContact N-O 3.32Å; E238-A240 PolarHBondContact O-N 3.03Å; E238-G241 VanDerWaalsContact O-CA 3.25Å; E238-G241 WeakPolarHBondContact O-CA 3.41Å; E238-G241 PolarHBondContact O-N 3.1Å; E238-A242 PolarHBondContact O-N 3.4Å; E238-Q264 CarbonylContact C-O 3.55Å; E238-Q264 VanDerWaalsContact CA-O 3.28Å; E238-Q264 WeakPolarHBondContact CA-O 3.41Å; E238-Q264 HydrophobicContact CB-CB 3.94Å; E238-Q264 HydrophobicContact CG-CB 3.95Å; E238-H553 IonicContact OE1-CD2 3.08Å; E238-H553 PolarHBondContact OE1-CD2 3.4Å; E238-H553 IonicContact OE1-CE1 3.03Å; E238-H553 IonicContact OE1-CG 3.87Å; E238-H553 IonicContact OE1-ND1 3.6Å; E238-H553 IonicContact OE1-NE2 2.7Å; E238-H553 PolarHBondContact OE1-NE2 2.89Å; E238-G554 VanDerWaalsContact OE1-CA 3.28Å; E238-G554 WeakPolarHBondContact OE1-CA 3.15Å; E238-G554 PolarHBondContact OE1-N 2.95Å; E238-E556 VanDerWaalsContact CG-OE1 3.27Å; E238-E556 WeakPolarHBondContact CG-OE1 3.42Å; E238-I557 HydrophobicContact CB-CD1 3.78Å; E238-I557 HydrophobicContact CB-CG1 4.1Å; E238-I557 HydrophobicContact CG-CD1 3.65Å; E238-I557 HydrophobicContact CG-CG1 3.93Å
239	S	98.8	Very high	98.4	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.028	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-125.6	179.3	-167.5	0	0	0	0	111.8	G241 A242 V243 Q264 H553	S239-G241 PolarHBondContact O-N 2.92Å; S239-G241 VanDerWaalsContact O-N 3.15Å; S239-A242 WeakPolarHBondContact O-CA 3.44Å; S239-A242 VanDerWaalsContact O-CB 3.32Å; S239-A242 WeakPolarHBondContact O-CB 3.37Å; S239-A242 PolarHBondContact O-N 2.98Å; S239-V243 PolarHBondContact O-N 3.28Å; S239-Q264 PolarHBondContact N-O 3.08Å; S239-H553 WeakPolarHBondContact CB-NE2 3.5Å; S239-H553 PolarHBondContact OG-NE2 2.83Å
240	A	98.7	Very high	98.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.5	-26.1	172.3	0	0	0	0	0	114	F153 E238 S244 W272	F153-A240 HydrophobicContact CD1-CB 3.99Å; F153-A240 HydrophobicContact CD2-CB 3.75Å; F153-A240 HydrophobicContact CE1-CB 3.97Å; F153-A240 WeakPolarHBondContact CE1-O 3.17Å; F153-A240 HydrophobicContact CE2-CB 3.69Å; F153-A240 HydrophobicContact CG-CB 3.91Å; F153-A240 HydrophobicContact CZ-CB 3.81Å; F153-A240 VanDerWaalsContact CZ-O 3.26Å; F153-A240 WeakPolarHBondContact CZ-O 3.19Å; E238-A240 PolarHBondContact O-N 3.03Å; A240-S244 WeakPolarHBondContact O-CB 3.27Å; A240-S244 PolarHBondContact O-N 2.87Å; A240-S244 PolarHBondContact O-OG 3.24Å; A240-W272 HydrophobicContact CB-CZ3 4.33Å
241	G	98.9	Very high	98.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.4	-39.1	170.1	0	0	0	0	0	112.3	I148 E238 S239 S244 V245	I148-G241 WeakPolarHBondContact O-CA 3.42Å; E238-G241 VanDerWaalsContact O-CA 3.25Å; E238-G241 WeakPolarHBondContact O-CA 3.41Å; E238-G241 PolarHBondContact O-N 3.1Å; S239-G241 PolarHBondContact O-N 2.92Å; S239-G241 VanDerWaalsContact O-N 3.15Å; G241-S244 VanDerWaalsContact O-CB 3.31Å; G241-S244 WeakPolarHBondContact O-CB 3.19Å; G241-S244 PolarHBondContact O-N 3.08Å; G241-V245 WeakPolarHBondContact O-CG2 3.45Å; G241-V245 PolarHBondContact O-N 3.43Å
242	A	98.9	Very high	98.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-67.9	-39.4	172.6	0	0	0	0	0	111.9	G237 E238 S239 S244 V245 S246 L263 Q264 G266	G237-A242 WeakPolarHBondContact O-CB 3.5Å; E238-A242 PolarHBondContact O-N 3.4Å; S239-A242 WeakPolarHBondContact O-CA 3.44Å; S239-A242 VanDerWaalsContact O-CB 3.32Å; S239-A242 WeakPolarHBondContact O-CB 3.37Å; S239-A242 PolarHBondContact O-N 2.98Å; A242-S244 VanDerWaalsContact C-N 3.32Å; A242-S244 PolarHBondContact O-N 2.81Å; A242-V245 PolarHBondContact O-N 3.33Å; A242-S246 PolarHBondContact O-N 3.11Å; A242-L263 HydrophobicContact CB-CB 4.13Å; A242-L263 HydrophobicContact CB-CG 4.45Å; A242-Q264 VanDerWaalsContact CB-O 3.3Å; A242-Q264 WeakPolarHBondContact CB-O 3.38Å; A242-G266 VanDerWaalsContact CB-O 3.31Å; A242-G266 WeakPolarHBondContact CB-O 3.27Å
243	V	98.8	Very high	98.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-57.1	-48.5	169.6	178.3	0	0	0	0	110	F153 S239 V245 S246 I247 W272 G273	F153-V243 HydrophobicContact CE2-CB 4.12Å; F153-V243 HydrophobicContact CE2-CG1 3.94Å; F153-V243 HydrophobicContact CZ-CB 3.84Å; F153-V243 HydrophobicContact CZ-CG1 3.74Å; S239-V243 PolarHBondContact O-N 3.28Å; V243-V245 PolarHBondContact O-N 2.65Å; V243-S246 PolarHBondContact O-N 3.13Å; V243-S246 VanDerWaalsContact O-N 3.16Å; V243-S246 PolarHBondContact O-OG 3.48Å; V243-I247 HydrophobicContact CG1-CD1 3.95Å; V243-I247 WeakPolarHBondContact O-CG1 3.5Å; V243-I247 PolarHBondContact O-N 3.32Å; V243-W272 HydrophobicContact CG2-CE3 4.37Å; V243-W272 HydrophobicContact CG2-CH2 3.49Å; V243-W272 VanDerWaalsContact CG2-CH2 3.49Å; V243-W272 HydrophobicContact CG2-CZ2 4.36Å; V243-W272 HydrophobicContact CG2-CZ3 3.49Å; V243-W272 VanDerWaalsContact CG2-CZ3 3.49Å; V243-G273 WeakPolarHBondContact CG1-O 3.35Å
244	S	98.9	Very high	98.1	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-56.7	-47.6	175.6	-61.6	0	0	0	0	112.3	F153 L209 Q212 A240 G241 A242 S246 I247 L248	F153-S244 WeakPolarHBondContact CE1-OG 3.28Å; L209-S244 WeakPolarHBondContact CD2-OG 3.28Å; Q212-S244 PolarHBondContact NE2-OG 2.62Å; Q212-S244 VanDerWaalsContact NE2-OG 3.14Å; A240-S244 WeakPolarHBondContact O-CB 3.27Å; A240-S244 PolarHBondContact O-N 2.87Å; A240-S244 PolarHBondContact O-OG 3.24Å; G241-S244 VanDerWaalsContact O-CB 3.31Å; G241-S244 WeakPolarHBondContact O-CB 3.19Å; G241-S244 PolarHBondContact O-N 3.08Å; A242-S244 VanDerWaalsContact C-N 3.32Å; A242-S244 PolarHBondContact O-N 2.81Å; S244-S246 VanDerWaalsContact C-N 3.32Å; S244-S246 PolarHBondContact O-N 2.97Å; S244-I247 PolarHBondContact O-N 2.89Å; S244-L248 VanDerWaalsContact O-CG 3.3Å; S244-L248 WeakPolarHBondContact O-CG 3.15Å; S244-L248 PolarHBondContact O-N 3.24Å
245	V	98.9	Very high	98	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.7	-43.7	176.6	170	0	0	0	0	111.1	I148 I235 G241 A242 V243 I247 L248 W249 A261 L263	I148-V245 HydrophobicContact CD1-CG2 3.94Å; I148-V245 HydrophobicContact CG1-CG2 4.47Å; I235-V245 HydrophobicContact CB-CG2 4.32Å; I235-V245 HydrophobicContact CD1-CB 4.28Å; I235-V245 HydrophobicContact CD1-CG1 3.72Å; I235-V245 HydrophobicContact CD1-CG2 4.27Å; I235-V245 HydrophobicContact CG1-CG1 3.82Å; I235-V245 HydrophobicContact CG1-CG2 4.32Å; G241-V245 WeakPolarHBondContact O-CG2 3.45Å; G241-V245 PolarHBondContact O-N 3.43Å; A242-V245 PolarHBondContact O-N 3.33Å; V243-V245 PolarHBondContact O-N 2.65Å; V245-I247 VanDerWaalsContact C-N 3.34Å; V245-I247 PolarHBondContact O-N 2.76Å; V245-L248 PolarHBondContact O-N 2.68Å; V245-W249 VanDerWaalsContact O-CB 3.23Å; V245-W249 WeakPolarHBondContact O-CB 3.3Å; V245-W249 PolarHBondContact O-N 3.24Å; V245-A261 HydrophobicContact CG1-CB 3.72Å; V245-L263 HydrophobicContact CB-CD1 4.26Å; V245-L263 HydrophobicContact CB-CG 4.41Å; V245-L263 HydrophobicContact CG1-CD1 3.43Å; V245-L263 VanDerWaalsContact CG1-CD1 3.43Å; V245-L263 HydrophobicContact CG1-CG 4.09Å
246	S	98.6	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.9	-38.7	178.4	76.6	0	0	0	0	112.5	A242 V243 S244 M250 L268	A242-S246 PolarHBondContact O-N 3.11Å; V243-S246 PolarHBondContact O-N 3.13Å; V243-S246 VanDerWaalsContact O-N 3.16Å; V243-S246 PolarHBondContact O-OG 3.48Å; S244-S246 VanDerWaalsContact C-N 3.32Å; S244-S246 PolarHBondContact O-N 2.97Å; S246-M250 WeakPolarHBondContact O-CB 3.45Å; S246-M250 PolarHBondContact O-N 3.21Å; S246-M250 VanDerWaalsContact O-N 3.09Å; S246-L268 VanDerWaalsContact OG-CB 3.27Å; S246-L268 WeakPolarHBondContact OG-CB 3.44Å; S246-L268 WeakPolarHBondContact OG-CG 3.33Å; S246-L268 PolarHBondContact OG-N 3.16Å
247	I	98.5	Very high	97.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-48.5	175.4	-69.9	169.9	0	0	0	110.7	L209 V243 S244 V245 W249 M250 S251 L268 L274 P366 L372 V373	L209-I247 HydrophobicContact CD1-CD1 3.89Å; L209-I247 HydrophobicContact CD1-CG2 3.85Å; V243-I247 HydrophobicContact CG1-CD1 3.95Å; V243-I247 WeakPolarHBondContact O-CG1 3.5Å; V243-I247 PolarHBondContact O-N 3.32Å; S244-I247 PolarHBondContact O-N 2.89Å; V245-I247 VanDerWaalsContact C-N 3.34Å; V245-I247 PolarHBondContact O-N 2.76Å; I247-W249 VanDerWaalsContact C-N 3.32Å; I247-W249 PolarHBondContact O-N 2.86Å; I247-M250 PolarHBondContact O-N 3.13Å; I247-S251 WeakPolarHBondContact O-CB 3.44Å; I247-S251 PolarHBondContact O-N 3.23Å; I247-L268 HydrophobicContact CG1-CB 3.99Å; I247-L268 HydrophobicContact CG1-CD2 4.42Å; I247-L274 HydrophobicContact CD1-CD1 4.04Å; I247-P366 HydrophobicContact CD1-CB 3.66Å; I247-P366 HydrophobicContact CD1-CG 3.92Å; I247-L372 HydrophobicContact CG2-CD2 4.49Å; I247-V373 HydrophobicContact CG2-CG2 3.54Å
248	L	98.4	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-38.9	178.4	-66.9	170.7	0	0	0	111.5	I148 Q212 L213 L216 I235 S244 V245 M250 S251 A254 F258 L372	I148-L248 HydrophobicContact CD1-CD1 3.72Å; Q212-L248 HydrophobicContact CB-CD1 4.34Å; L213-L248 HydrophobicContact CB-CD2 4.44Å; L216-L248 HydrophobicContact CD1-CD1 3.99Å; I235-L248 HydrophobicContact CD1-CB 4.15Å; S244-L248 VanDerWaalsContact O-CG 3.3Å; S244-L248 WeakPolarHBondContact O-CG 3.15Å; S244-L248 PolarHBondContact O-N 3.24Å; V245-L248 PolarHBondContact O-N 2.68Å; L248-M250 VanDerWaalsContact C-N 3.3Å; L248-M250 PolarHBondContact O-N 3.46Å; L248-S251 PolarHBondContact O-N 3.17Å; L248-A254 HydrophobicContact CB-CB 4.17Å; L248-A254 HydrophobicContact CD2-CB 3.74Å; L248-A254 WeakPolarHBondContact O-CB 3.33Å; L248-F258 HydrophobicContact CB-CE1 4.26Å; L248-F258 HydrophobicContact CB-CZ 4.43Å; L248-F258 WeakPolarHBondContact O-CZ 3.35Å; L248-L372 HydrophobicContact CD2-CD1 4.45Å
249	W	98	Very high	97.9	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-57.7	-42.5	173.4	-175.7	98.3	0	0	0	112.2	V245 I247 Q255 F258 F381 L387 P391 F519 V523 L526	V245-W249 VanDerWaalsContact O-CB 3.23Å; V245-W249 WeakPolarHBondContact O-CB 3.3Å; V245-W249 PolarHBondContact O-N 3.24Å; I247-W249 VanDerWaalsContact C-N 3.32Å; I247-W249 PolarHBondContact O-N 2.86Å; W249-Q255 WeakPolarHBondContact O-CG 3.34Å; W249-Q255 PolarHBondContact O-NE2 3.42Å; W249-F258 HydrophobicContact CB-CE2 4.37Å; W249-F258 HydrophobicContact CB-CZ 4.42Å; W249-F381 HydrophobicContact CH2-CE1 4.14Å; W249-F381 AromaticContact CZ3-CE1 3.93Å; W249-F381 HydrophobicContact CZ3-CE1 3.93Å; W249-F381 AromaticContact CZ3-CZ 3.96Å; W249-F381 HydrophobicContact CZ3-CZ 3.96Å; W249-L387 HydrophobicContact CE3-CD2 4.44Å; W249-L387 HydrophobicContact CH2-CB 4.48Å; W249-L387 HydrophobicContact CH2-CD1 4.33Å; W249-L387 HydrophobicContact CH2-CD2 4.23Å; W249-L387 HydrophobicContact CZ3-CD1 4.3Å; W249-L387 HydrophobicContact CZ3-CD2 3.74Å; W249-P391 HydrophobicContact CZ2-CB 3.65Å; W249-P391 HydrophobicContact CZ2-CG 4.5Å; W249-F519 HydrophobicContact CD2-CZ 4.32Å; W249-F519 AromaticContact CE3-CZ 3.83Å; W249-F519 HydrophobicContact CE3-CZ 3.83Å; W249-F519 HydrophobicContact CZ3-CZ 4.26Å; W249-V523 HydrophobicContact CH2-CG1 4.38Å; W249-V523 HydrophobicContact CH2-CG2 3.79Å; W249-V523 HydrophobicContact CZ2-CG1 4.04Å; W249-V523 HydrophobicContact CZ2-CG2 4.06Å; W249-V523 HydrophobicContact CZ3-CG2 4.16Å; W249-L526 HydrophobicContact CH2-CD1 3.64Å; W249-L526 HydrophobicContact CZ2-CD1 4.22Å
250	M	95.6	Very high	97.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-77.3	-30.5	179.8	-170.7	174.2	66.3	0	0	112.6	S246 I247 L248 P252 Q255 L268 V373 P377 I380 L387	S246-M250 WeakPolarHBondContact O-CB 3.45Å; S246-M250 PolarHBondContact O-N 3.21Å; S246-M250 VanDerWaalsContact O-N 3.09Å; I247-M250 PolarHBondContact O-N 3.13Å; L248-M250 VanDerWaalsContact C-N 3.3Å; L248-M250 PolarHBondContact O-N 3.46Å; M250-P252 WeakPolarHBondContact O-CD 3.47Å; M250-Q255 PolarHBondContact O-NE2 2.93Å; M250-L268 HydrophobicContact CB-CD2 4.29Å; M250-L268 HydrophobicContact CE-CD2 3.45Å; M250-L268 VanDerWaalsContact CE-CD2 3.45Å; M250-L268 HydrophobicContact SD-CD2 3.67Å; M250-V373 HydrophobicContact CE-CG1 4.21Å; M250-P377 HydrophobicContact CE-CB 4.32Å; M250-P377 HydrophobicContact CE-CG 4.11Å; M250-P377 HydrophobicContact SD-CB 3.91Å; M250-P377 HydrophobicContact SD-CG 4.36Å; M250-I380 HydrophobicContact CE-CD1 3.52Å; M250-I380 HydrophobicContact CG-CB 4.09Å; M250-I380 HydrophobicContact CG-CD1 3.8Å; M250-I380 HydrophobicContact CG-CG2 3.6Å; M250-I380 HydrophobicContact SD-CB 3.94Å; M250-I380 HydrophobicContact SD-CD1 3.52Å; M250-I380 VanDerWaalsContact SD-CD1 3.52Å; M250-I380 HydrophobicContact SD-CG1 4.29Å; M250-I380 HydrophobicContact SD-CG2 4.13Å; M250-L387 HydrophobicContact CG-CD2 4.19Å
251	S	96.6	Very high	97.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	11%	0.106	C	C	.	.			trans	-69.9	117.8	-174	-175.3	0	0	0	0	113.4	I247 L248 I253 A254 Q255 L372	I247-S251 WeakPolarHBondContact O-CB 3.44Å; I247-S251 PolarHBondContact O-N 3.23Å; L248-S251 PolarHBondContact O-N 3.17Å; S251-I253 PolarHBondContact O-N 3.24Å; S251-I253 VanDerWaalsContact O-N 3.14Å; S251-I253 WeakPolarHBondContact OG-CG1 3.3Å; S251-A254 PolarHBondContact O-N 3.33Å; S251-Q255 WeakPolarHBondContact O-CG 3.5Å; S251-Q255 PolarHBondContact O-N 2.99Å; S251-L372 WeakPolarHBondContact CB-O 3.19Å; S251-L372 PolarHBondContact OG-O 3.41Å
252	P	94.7	Very high	97.9	Very high	59 Å²	59	21.2 Å²	21.2	38%	0.383	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	-179.7	-26.6	35.8	0	0	0	114.1	M250 P256	M250-P252 WeakPolarHBondContact O-CD 3.47Å; P252-P256 WeakPolarHBondContact O-CD 3.43Å
253	I	96.2	Very high	97.9	Very high	55 Å²	55	21.2 Å²	21.2	28%	0.282	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.9	179.9	63.9	169.8	0	0	0	113.1	L213 S251 Y257 Y371 L372	L213-I253 HydrophobicContact CD2-CD1 3.89Å; L213-I253 HydrophobicContact CD2-CG1 4.14Å; S251-I253 PolarHBondContact O-N 3.24Å; S251-I253 VanDerWaalsContact O-N 3.14Å; S251-I253 WeakPolarHBondContact OG-CG1 3.3Å; I253-Y257 VanDerWaalsContact O-CE2 3.27Å; I253-Y257 WeakPolarHBondContact O-CE2 3.43Å; I253-Y371 HydrophobicContact CD1-CD1 4.18Å; I253-Y371 HydrophobicContact CD1-CE1 3.68Å; I253-Y371 HydrophobicContact CD1-CE2 4.06Å; I253-L372 HydrophobicContact CD1-CD1 3.84Å; I253-L372 HydrophobicContact CG1-CD1 4Å
254	A	98	Very high	97.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-31.7	179.1	0	0	0	0	0	112.7	L213 L248 S251 P256 Y257 F258	L213-A254 HydrophobicContact CD1-CB 3.78Å; L248-A254 HydrophobicContact CB-CB 4.17Å; L248-A254 HydrophobicContact CD2-CB 3.74Å; L248-A254 WeakPolarHBondContact O-CB 3.33Å; S251-A254 PolarHBondContact O-N 3.33Å; A254-P256 VanDerWaalsContact C-N 3.27Å; A254-P256 WeakPolarHBondContact O-CD 3.37Å; A254-Y257 WeakPolarHBondContact O-CD2 3.42Å; A254-Y257 PolarHBondContact O-N 3.18Å; A254-F258 HydrophobicContact CB-CE1 4.32Å; A254-F258 VanDerWaalsContact O-CE1 3.23Å; A254-F258 WeakPolarHBondContact O-CE1 3.44Å
255	Q	96.9	Very high	97.9	Very high	28 Å²	28	21.2 Å²	21.2	13%	0.131	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-46	-36.5	-179.5	-79.3	178.5	40.4	0	0	115.9	W249 M250 S251 Y257 K386 K388	W249-Q255 WeakPolarHBondContact O-CG 3.34Å; W249-Q255 PolarHBondContact O-NE2 3.42Å; M250-Q255 PolarHBondContact O-NE2 2.93Å; S251-Q255 WeakPolarHBondContact O-CG 3.5Å; S251-Q255 PolarHBondContact O-N 2.99Å; Q255-Y257 PolarHBondContact O-N 3.39Å; Q255-K386 PolarHBondContact NE2-O 2.82Å; Q255-K388 HydrophobicContact CG-CG 4.21Å; Q255-K388 PolarHBondContact O-NZ 2.97Å
256	P	97.2	Very high	97.8	Very high	99 Å²	99	21.2 Å²	21.2	64%	0.643	11%	0.106	S	C	*	.	G	3₁₀ helix	trans	-65.4	-19.1	179.9	-25.4	36.6	0	0	0	115.3	P252 A254	P252-P256 WeakPolarHBondContact O-CD 3.43Å; A254-P256 VanDerWaalsContact C-N 3.27Å; A254-P256 WeakPolarHBondContact O-CD 3.37Å
257	Y	98.4	Very high	97.8	Very high	60 Å²	60	21.2 Å²	21.2	24%	0.235	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-93.1	-2	-170.7	-58.5	-73.9	0	0	0	114.6	L213 L216 K217 I253 A254 Q255	L213-Y257 HydrophobicContact CD1-CD2 3.72Å; L213-Y257 HydrophobicContact CD1-CE2 3.89Å; L216-Y257 HydrophobicContact CB-CG 4.5Å; K217-Y257 HydrophobicContact CB-CE1 4.34Å; K217-Y257 WeakPolarHBondContact CE-OH 3.46Å; K217-Y257 HydrophobicContact CG-CD1 4.16Å; K217-Y257 HydrophobicContact CG-CD2 4.47Å; K217-Y257 HydrophobicContact CG-CE1 3.57Å; K217-Y257 HydrophobicContact CG-CE2 3.95Å; K217-Y257 VanDerWaalsContact CG-CZ 3.46Å; I253-Y257 VanDerWaalsContact O-CE2 3.27Å; I253-Y257 WeakPolarHBondContact O-CE2 3.43Å; A254-Y257 WeakPolarHBondContact O-CD2 3.42Å; A254-Y257 PolarHBondContact O-N 3.18Å; Q255-Y257 PolarHBondContact O-N 3.39Å
258	F	98.5	Very high	97.8	Very high	10 Å²	10	21.4 Å²	21.4	4%	0.044	11%	0.107	C	C	.	.			trans	-150.8	155	176	59.5	-85.7	0	0	0	112.3	L216 V233 I235 L248 W249 A254 K388	L216-F258 HydrophobicContact CD1-CD1 4.19Å; V233-F258 HydrophobicContact CB-CB 4.16Å; V233-F258 HydrophobicContact CG1-CB 3.8Å; I235-F258 HydrophobicContact CD1-CD1 3.85Å; I235-F258 HydrophobicContact CD1-CD2 3.7Å; I235-F258 HydrophobicContact CD1-CE1 3.78Å; I235-F258 HydrophobicContact CD1-CE2 3.62Å; I235-F258 HydrophobicContact CD1-CG 3.83Å; I235-F258 HydrophobicContact CD1-CZ 3.69Å; I235-F258 HydrophobicContact CG1-CB 4.43Å; I235-F258 HydrophobicContact CG1-CD1 4.38Å; I235-F258 HydrophobicContact CG1-CD2 3.72Å; I235-F258 HydrophobicContact CG1-CE2 4.1Å; I235-F258 HydrophobicContact CG1-CG 3.9Å; I235-F258 HydrophobicContact CG2-CB 3.91Å; I235-F258 HydrophobicContact CG2-CD1 4.2Å; I235-F258 HydrophobicContact CG2-CG 4Å; L248-F258 HydrophobicContact CB-CE1 4.26Å; L248-F258 HydrophobicContact CB-CZ 4.43Å; L248-F258 WeakPolarHBondContact O-CZ 3.35Å; W249-F258 HydrophobicContact CB-CE2 4.37Å; W249-F258 HydrophobicContact CB-CZ 4.42Å; A254-F258 HydrophobicContact CB-CE1 4.32Å; A254-F258 VanDerWaalsContact O-CE1 3.23Å; A254-F258 WeakPolarHBondContact O-CE1 3.44Å; F258-K388 PolarHBondContact O-NZ 3.19Å
259	R	98	Very high	97.7	Very high	113 Å²	113	23.3 Å²	23.3	43%	0.426	12%	0.115	S	C	.	.	S	Bend	trans	-93.8	-50.6	-179.1	177.6	60.2	-168.4	-161.3	0.5	112.1	V233 E392	V233-R259 PolarHBondContact O-N 3.07Å; R259-E392 IonicContact CZ-OE2 2.78Å; R259-E392 IonicContact NE-OE2 3.41Å; R259-E392 PolarHBondContact NE-OE2 3Å; R259-E392 IonicContact NH2-OE2 3.66Å; R259-E392 PolarHBondContact NH2-OE2 3.26Å
260	R	98.5	Very high	97.6	Very high	18 Å²	18	23.4 Å²	23.4	7%	0.068	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	162.6	-173	-47.4	-168.1	-176	90.9	-10.7	111.8	V233 T234 I235 E392 F594 A595 K596 G598	V233-R260 PolarHBondContact O-N 3.44Å; T234-R260 WeakPolarHBondContact CA-O 3.42Å; T234-R260 HydrophobicContact CG2-CB 3.97Å; I235-R260 PolarHBondContact N-O 3.25Å; R260-E392 HydrophobicContact CB-CB 4.42Å; R260-E392 HydrophobicContact CG-CB 3.97Å; R260-E392 IonicContact CZ-OE2 2.66Å; R260-E392 IonicContact NE-OE1 3.07Å; R260-E392 IonicContact NE-OE2 2.74Å; R260-E392 PolarHBondContact NE-OE2 3.28Å; R260-E392 VanDerWaalsContact NE-OE2 3.15Å; R260-F594 HydrophobicContact CB-CE1 3.82Å; R260-F594 HydrophobicContact CB-CZ 4.08Å; R260-F594 WeakPolarHBondContact CD-O 3.27Å; R260-A595 PolarHBondContact NH1-O 3.26Å; R260-K596 PolarHBondContact NH2-O 2.7Å; R260-G598 VanDerWaalsContact NE-CA 3.25Å
261	A	98.8	Very high	97.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.2	177.7	0	0	0	0	0	111.4	I235 V245 L263 E392 L393 L394 F594	I235-A261 HydrophobicContact CG1-CB 4.22Å; I235-A261 CarbonylContact O-C 3.49Å; I235-A261 VanDerWaalsContact O-CA 3.32Å; I235-A261 WeakPolarHBondContact O-CA 3.49Å; V245-A261 HydrophobicContact CG1-CB 3.72Å; A261-L263 HydrophobicContact CB-CD1 3.97Å; A261-E392 PolarHBondContact N-O 3.15Å; A261-L393 HydrophobicContact CB-CD1 4.09Å; A261-L393 WeakPolarHBondContact O-CA 3.05Å; A261-L394 PolarHBondContact O-N 2.99Å; A261-L394 VanDerWaalsContact O-N 3.09Å; A261-F594 WeakPolarHBondContact O-CE1 3.46Å
262	I	98.9	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.6	170.6	-49.1	177.2	0	0	0	108.8	M145 T234 I235 F236 G237 Q264 L394 W591 F594	M145-I262 HydrophobicContact CE-CD1 4.07Å; T234-I262 HydrophobicContact CG2-CD1 3.94Å; T234-I262 HydrophobicContact CG2-CG1 3.84Å; I235-I262 PolarHBondContact O-N 3.16Å; F236-I262 WeakPolarHBondContact CA-O 3.35Å; F236-I262 HydrophobicContact CB-CB 3.6Å; F236-I262 HydrophobicContact CB-CD1 4.05Å; F236-I262 HydrophobicContact CB-CG1 4.09Å; F236-I262 HydrophobicContact CB-CG2 4.35Å; G237-I262 PolarHBondContact N-O 2.87Å; I262-Q264 HydrophobicContact CG2-CG 4.22Å; I262-L394 CarbonylContact C-O 3.59Å; I262-L394 WeakPolarHBondContact CA-O 3.28Å; I262-L394 HydrophobicContact CB-CB 4.42Å; I262-L394 HydrophobicContact CD1-CD2 4.2Å; I262-L394 HydrophobicContact CG1-CB 4.11Å; I262-L394 HydrophobicContact CG1-CD2 4.34Å; I262-L394 HydrophobicContact CG2-CB 4.11Å; I262-L394 HydrophobicContact CG2-CD2 3.94Å; I262-L394 HydrophobicContact CG2-CG 3.95Å; I262-W591 HydrophobicContact CD1-CG 4.3Å; I262-F594 HydrophobicContact CD1-CD1 3.92Å; I262-F594 HydrophobicContact CD1-CE1 4.38Å; I262-F594 HydrophobicContact CG1-CD1 3.78Å; I262-F594 HydrophobicContact CG1-CE1 3.73Å
263	L	98.9	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120	-177.9	-74.3	64.1	0	0	0	109.1	A242 V245 A261 L393 L394 I395 G396 F519	A242-L263 HydrophobicContact CB-CB 4.13Å; A242-L263 HydrophobicContact CB-CG 4.45Å; V245-L263 HydrophobicContact CB-CD1 4.26Å; V245-L263 HydrophobicContact CB-CG 4.41Å; V245-L263 HydrophobicContact CG1-CD1 3.43Å; V245-L263 VanDerWaalsContact CG1-CD1 3.43Å; V245-L263 HydrophobicContact CG1-CG 4.09Å; A261-L263 HydrophobicContact CB-CD1 3.97Å; L263-L393 HydrophobicContact CD1-CD1 3.44Å; L263-L393 VanDerWaalsContact CD1-CD1 3.44Å; L263-L394 PolarHBondContact N-O 2.86Å; L263-I395 HydrophobicContact CB-CB 4.4Å; L263-I395 HydrophobicContact CB-CD1 4.02Å; L263-I395 HydrophobicContact CB-CG1 3.9Å; L263-I395 HydrophobicContact CD2-CD1 3.98Å; L263-I395 VanDerWaalsContact O-CA 3.27Å; L263-I395 WeakPolarHBondContact O-CA 3.4Å; L263-G396 PolarHBondContact O-N 2.87Å; L263-F519 HydrophobicContact CD2-CD1 3.62Å; L263-F519 HydrophobicContact CD2-CE1 3.6Å; L263-F519 HydrophobicContact CD2-CG 4.45Å; L263-F519 HydrophobicContact CD2-CZ 4.42Å
264	Q	98.9	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.8	-178.6	-51.4	171.7	-168.9	0	0	109	G237 E238 S239 A242 I262 G266 Y534 E556	G237-Q264 PolarHBondContact O-N 3.36Å; E238-Q264 CarbonylContact C-O 3.55Å; E238-Q264 VanDerWaalsContact CA-O 3.28Å; E238-Q264 WeakPolarHBondContact CA-O 3.41Å; E238-Q264 HydrophobicContact CB-CB 3.94Å; E238-Q264 HydrophobicContact CG-CB 3.95Å; S239-Q264 PolarHBondContact N-O 3.08Å; A242-Q264 VanDerWaalsContact CB-O 3.3Å; A242-Q264 WeakPolarHBondContact CB-O 3.38Å; I262-Q264 HydrophobicContact CG2-CG 4.22Å; Q264-G266 VanDerWaalsContact C-N 3.3Å; Q264-G266 PolarHBondContact O-N 2.89Å; Q264-Y534 WeakPolarHBondContact CA-OH 3.31Å; Q264-Y534 VanDerWaalsContact CB-OH 3.31Å; Q264-Y534 WeakPolarHBondContact CB-OH 3.48Å; Q264-Y534 WeakPolarHBondContact CG-OH 3.5Å; Q264-E556 WeakPolarHBondContact CB-OE1 3.31Å; Q264-E556 PolarHBondContact NE2-OE1 3.26Å
265	S	98.7	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	54.4	38.9	174.2	-61	0	0	0	0	114.9	G396 E401 H553	S265-G396 PolarHBondContact N-O 3.45Å; S265-E401 WeakPolarHBondContact CB-OE1 3.36Å; S265-E401 WeakPolarHBondContact CB-OE2 3.38Å; S265-E401 PolarHBondContact OG-OE1 3.21Å; S265-E401 PolarHBondContact OG-OE2 3.47Å; S265-H553 PolarHBondContact O-CE1 3.23Å; S265-H553 VanDerWaalsContact O-CE1 3.31Å
266	G	98.5	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.117	C	C	.	.			trans	-177.8	151.5	174.9	0	0	0	0	0	114.5	A242 Q264 T516	A242-G266 VanDerWaalsContact CB-O 3.31Å; A242-G266 WeakPolarHBondContact CB-O 3.27Å; Q264-G266 VanDerWaalsContact C-N 3.3Å; Q264-G266 PolarHBondContact O-N 2.89Å; G266-T516 WeakPolarHBondContact CA-OG1 3.48Å; G266-T516 PolarHBondContact N-OG1 3.29Å
267	S	98.3	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.095	C	C	.	.			trans	-154.8	164.6	172.2	83.3	0	0	0	0	111	Y269 A270 P515	S267-Y269 PolarHBondContact O-N 3.28Å; S267-Y269 PolarHBondContact OG-N 3.12Å; S267-A270 WeakPolarHBondContact O-CB 3.33Å; S267-A270 PolarHBondContact O-N 3.39Å; S267-P515 VanDerWaalsContact OG-C 3.24Å; S267-P515 PolarHBondContact OG-O 2.72Å
268	L	96.9	Very high	96.9	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-10.9	175.1	55.6	65.5	0	0	0	115.4	S246 I247 M250 A270 P377 F519	S246-L268 VanDerWaalsContact OG-CB 3.27Å; S246-L268 WeakPolarHBondContact OG-CB 3.44Å; S246-L268 WeakPolarHBondContact OG-CG 3.33Å; S246-L268 PolarHBondContact OG-N 3.16Å; I247-L268 HydrophobicContact CG1-CB 3.99Å; I247-L268 HydrophobicContact CG1-CD2 4.42Å; M250-L268 HydrophobicContact CB-CD2 4.29Å; M250-L268 HydrophobicContact CE-CD2 3.45Å; M250-L268 VanDerWaalsContact CE-CD2 3.45Å; M250-L268 HydrophobicContact SD-CD2 3.67Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-P377 HydrophobicContact CD1-CB 3.6Å; L268-P377 HydrophobicContact CD1-CG 3.52Å; L268-P377 HydrophobicContact CD2-CB 4.43Å; L268-P377 HydrophobicContact CD2-CG 4.21Å; L268-P377 HydrophobicContact CG-CG 4.35Å; L268-F519 HydrophobicContact CD1-CD2 3.96Å; L268-F519 HydrophobicContact CD1-CE2 4.23Å; L268-F519 HydrophobicContact CD2-CE2 4.03Å; L268-F519 HydrophobicContact CG-CD2 4.05Å; L268-F519 HydrophobicContact CG-CE2 4Å
269	Y	96.6	Very high	96.6	Very high	41 Å²	41	26.6 Å²	26.6	16%	0.161	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.9	175.7	-81.1	-64	0	0	0	112.5	S267 P377 D378 F381 N518 F519 Q522	S267-Y269 PolarHBondContact O-N 3.28Å; S267-Y269 PolarHBondContact OG-N 3.12Å; Y269-P377 HydrophobicContact CE1-CB 4.03Å; Y269-D378 WeakPolarHBondContact CE1-OD1 3.48Å; Y269-D378 PolarHBondContact OH-OD1 3.09Å; Y269-F381 HydrophobicContact CE2-CE2 4.09Å; Y269-F381 WeakPolarHBondContact OH-CD2 3.38Å; Y269-N518 HydrophobicContact CD2-CB 4.45Å; Y269-F519 HydrophobicContact CD2-CB 4.02Å; Y269-F519 HydrophobicContact CD2-CD2 4.09Å; Y269-F519 HydrophobicContact CE2-CD2 4.13Å; Y269-Q522 HydrophobicContact CE2-CG 3.86Å
270	A	96.5	Very high	96.6	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.025	11%	0.107	C	C	.	.	S	Bend	trans	-64.4	139.1	177.4	0	0	0	0	0	109.6	S267 L268 W272 G273 P515	S267-A270 WeakPolarHBondContact O-CB 3.33Å; S267-A270 PolarHBondContact O-N 3.39Å; L268-A270 VanDerWaalsContact C-N 3.31Å; A270-W272 HydrophobicContact CB-CD2 4.04Å; A270-W272 HydrophobicContact CB-CG 4.28Å; A270-W272 HydrophobicContact CB-CZ2 3.9Å; A270-W272 PolarHBondContact O-N 3.12Å; A270-G273 PolarHBondContact O-N 3.38Å; A270-P515 HydrophobicContact CB-CB 4.06Å; A270-P515 HydrophobicContact CB-CG 4.38Å
271	R	93.4	Very high	96.5	Very high	58 Å²	58	21.3 Å²	21.3	22%	0.219	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.4	-179.5	65.8	168.1	177.7	79.8	8.6	114.4	F360 Q365 D511	R271-F360 PolarHBondContact NH1-O 3.16Å; R271-F360 VanDerWaalsContact NH1-O 3.1Å; R271-F360 PolarHBondContact NH2-O 3.42Å; R271-Q365 PolarHBondContact O-OE1 3.4Å; R271-D511 WeakPolarHBondContact CD-OD1 3.45Å; R271-D511 WeakPolarHBondContact CG-OD1 3.25Å; R271-D511 IonicContact CZ-OD1 3.83Å; R271-D511 IonicContact CZ-OD2 3.08Å; R271-D511 IonicContact NE-OD1 2.77Å; R271-D511 PolarHBondContact NE-OD1 3.2Å; R271-D511 IonicContact NE-OD2 3.7Å; R271-D511 IonicContact NH2-OD1 2.66Å; R271-D511 PolarHBondContact NH2-OD1 3.31Å; R271-D511 IonicContact NH2-OD2 2.68Å; R271-D511 PolarHBondContact NH2-OD2 3.44Å
272	W	95	Very high	96.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	2.8	178.4	55.7	-96.4	0	0	0	112.8	F153 A240 V243 A270 F360 V362 Q365 D511 F512	F153-W272 HydrophobicContact CE2-CZ3 4.46Å; A240-W272 HydrophobicContact CB-CZ3 4.33Å; V243-W272 HydrophobicContact CG2-CE3 4.37Å; V243-W272 HydrophobicContact CG2-CH2 3.49Å; V243-W272 VanDerWaalsContact CG2-CH2 3.49Å; V243-W272 HydrophobicContact CG2-CZ2 4.36Å; V243-W272 HydrophobicContact CG2-CZ3 3.49Å; V243-W272 VanDerWaalsContact CG2-CZ3 3.49Å; A270-W272 HydrophobicContact CB-CD2 4.04Å; A270-W272 HydrophobicContact CB-CG 4.28Å; A270-W272 HydrophobicContact CB-CZ2 3.9Å; A270-W272 PolarHBondContact O-N 3.12Å; W272-F360 HydrophobicContact CB-CE1 4.17Å; W272-F360 AromaticContact CD1-CD1 3.92Å; W272-F360 AromaticContact CD1-CE1 3.58Å; W272-F360 AromaticContact CD2-CE1 3.6Å; W272-F360 HydrophobicContact CD2-CE1 3.6Å; W272-F360 HydrophobicContact CD2-CZ 4.25Å; W272-F360 AromaticContact CE2-CE1 3.75Å; W272-F360 HydrophobicContact CE3-CE1 4.23Å; W272-F360 HydrophobicContact CE3-CZ 4.45Å; W272-F360 HydrophobicContact CG-CD1 4.18Å; W272-F360 AromaticContact CG-CE1 3.52Å; W272-F360 HydrophobicContact CG-CE1 3.52Å; W272-F360 HydrophobicContact CG-CZ 4.48Å; W272-F360 AromaticContact NE1-CE1 3.68Å; W272-V362 HydrophobicContact CB-CB 4.45Å; W272-V362 HydrophobicContact CB-CG2 4.14Å; W272-V362 HydrophobicContact CE3-CG2 4.17Å; W272-Q365 VanDerWaalsContact CA-OE1 3.3Å; W272-Q365 VanDerWaalsContact O-CG 3.26Å; W272-Q365 WeakPolarHBondContact O-CG 3.3Å; W272-Q365 PolarHBondContact O-OE1 3.39Å; W272-Q365 VanDerWaalsContact O-OE1 3.13Å; W272-D511 PolarHBondContact NE1-O 3.01Å; W272-F512 AromaticContact CE2-CE1 3.89Å; W272-F512 HydrophobicContact CH2-CE1 4.25Å; W272-F512 AromaticContact CZ2-CD1 3.65Å; W272-F512 HydrophobicContact CZ2-CD1 3.65Å; W272-F512 AromaticContact CZ2-CE1 3.45Å; W272-F512 HydrophobicContact CZ2-CE1 3.45Å; W272-F512 VanDerWaalsContact CZ2-CE1 3.45Å; W272-F512 HydrophobicContact CZ2-CZ 4.41Å
273	G	96.3	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-25.4	-173.4	0	0	0	0	0	115.2	V243 A270 P366	V243-G273 WeakPolarHBondContact CG1-O 3.35Å; A270-G273 PolarHBondContact O-N 3.38Å; G273-P366 WeakPolarHBondContact O-CD 3.41Å; G273-P366 WeakPolarHBondContact O-CG 3.36Å
274	L	95.7	Very high	96.2	Very high	28 Å²	28	29 Å²	29	15%	0.147	14%	0.142	C	C	.	.			trans	-152.5	134.8	-175.8	-159	72.4	0	0	0	111.5	I247 P366 I368 V373 P377	I247-L274 HydrophobicContact CD1-CD1 4.04Å; L274-P366 CarbonylContact C-O 3.58Å; L274-P366 WeakPolarHBondContact CA-O 3.49Å; L274-P366 HydrophobicContact CD1-CB 3.96Å; L274-I368 HydrophobicContact CD2-CD1 4.02Å; L274-I368 HydrophobicContact CD2-CG1 3.58Å; L274-I368 HydrophobicContact CG-CG1 3.98Å; L274-V373 HydrophobicContact CD1-CG1 4.2Å; L274-V373 HydrophobicContact CD1-CG2 4.32Å; L274-V373 HydrophobicContact CD2-CG1 4.18Å; L274-P377 HydrophobicContact CD2-CG 3.97Å
275	D	94.8	Very high	96.2	Very high	8 Å²	8	30 Å²	30	4%	0.043	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-119.2	155.7	-179.4	-157.7	-0.4	0	0	0	112.2	E279 A280 K283 Q365 P366 V367 I368	D275-E279 WeakPolarHBondContact OD1-CB 3.2Å; D275-A280 HydrophobicContact CB-CB 4.4Å; D275-A280 PolarHBondContact OD2-N 2.96Å; D275-K283 IonicContact OD1-NZ 3.62Å; D275-K283 WeakPolarHBondContact OD2-CE 3.21Å; D275-K283 IonicContact OD2-NZ 3.67Å; D275-K283 PolarHBondContact OD2-NZ 3.4Å; D275-Q365 HydrophobicContact CB-CB 4.27Å; D275-P366 PolarHBondContact N-O 3.47Å; D275-V367 HydrophobicContact CB-CG1 4.34Å; D275-V367 VanDerWaalsContact O-CA 3.3Å; D275-V367 WeakPolarHBondContact O-CA 3.25Å; D275-I368 PolarHBondContact O-N 3.26Å
276	N	94.2	Very high	96.1	Very high	78 Å²	78	31.3 Å²	31.3	42%	0.417	16%	0.156	S	C	.	.			trans	-74.4	145.8	170.1	-67.7	-49.6	0	0	0	109.9	D278 E279 A280	N276-D278 VanDerWaalsContact C-N 3.26Å; N276-D278 PolarHBondContact O-N 3.39Å; N276-E279 HydrophobicContact CB-CB 4.4Å; N276-E279 HydrophobicContact CB-CG 4.36Å; N276-E279 PolarHBondContact ND2-OE1 3.23Å; N276-E279 PolarHBondContact O-N 2.68Å; N276-A280 WeakPolarHBondContact O-CB 3.42Å; N276-A280 PolarHBondContact O-N 3.4Å
277	A	94.4	Very high	96.1	Very high	24 Å²	24	31.3 Å²	31.3	20%	0.198	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-30.9	-174.8	0	0	0	0	0	114.4	H281	A277-H281 PolarHBondContact O-N 3.29Å
278	D	94.5	Very high	96.1	Very high	90 Å²	90	31.3 Å²	31.3	48%	0.481	16%	0.156	S	C	.	.	H	α-helix	trans	-76.5	-45.1	177.5	-74.6	-41.2	0	0	0	111.5	K192 N276 A280 H281 E282	K192-D278 IonicContact NZ-OD1 3.68Å; K192-D278 PolarHBondContact NZ-OD1 2.87Å; N276-D278 VanDerWaalsContact C-N 3.26Å; N276-D278 PolarHBondContact O-N 3.39Å; D278-A280 VanDerWaalsContact C-N 3.32Å; D278-A280 PolarHBondContact O-N 3.24Å; D278-H281 WeakPolarHBondContact O-CA 3.26Å; D278-H281 WeakPolarHBondContact O-CB 3.44Å; D278-H281 PolarHBondContact O-N 3.17Å; D278-E282 PolarHBondContact O-N 3.45Å
279	E	93.4	Very high	96.1	Very high	93 Å²	93	36.8 Å²	36.8	44%	0.435	18%	0.176	S	C	.	.	H	α-helix	trans	-59.4	-42.3	174.8	-73.2	175.7	-130.2	0	0	111.6	D275 N276 H281 E282 K283	D275-E279 WeakPolarHBondContact OD1-CB 3.2Å; N276-E279 HydrophobicContact CB-CB 4.4Å; N276-E279 HydrophobicContact CB-CG 4.36Å; N276-E279 PolarHBondContact ND2-OE1 3.23Å; N276-E279 PolarHBondContact O-N 2.68Å; E279-H281 VanDerWaalsContact C-N 3.29Å; E279-H281 PolarHBondContact O-N 2.92Å; E279-E282 PolarHBondContact O-N 3.23Å; E279-K283 WeakPolarHBondContact O-CG 3.44Å; E279-K283 PolarHBondContact O-N 3.11Å
280	A	96.9	Very high	96.2	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-34.1	175.2	0	0	0	0	0	112.7	R190 D275 N276 D278 A284 V367	R190-A280 HydrophobicContact CB-CB 3.81Å; R190-A280 HydrophobicContact CG-CB 3.86Å; D275-A280 HydrophobicContact CB-CB 4.4Å; D275-A280 PolarHBondContact OD2-N 2.96Å; N276-A280 WeakPolarHBondContact O-CB 3.42Å; N276-A280 PolarHBondContact O-N 3.4Å; D278-A280 VanDerWaalsContact C-N 3.32Å; D278-A280 PolarHBondContact O-N 3.24Å; A280-A284 VanDerWaalsContact O-CB 3.28Å; A280-A284 WeakPolarHBondContact O-CB 3.5Å; A280-A284 PolarHBondContact O-N 3.49Å; A280-V367 HydrophobicContact CB-CB 4.48Å; A280-V367 HydrophobicContact CB-CG1 3.37Å
281	H	96.9	Very high	96.2	Very high	17 Å²	17	40.1 Å²	40.1	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-38.8	172.9	174	81.3	0	0	0	112.1	R190 K192 A277 D278 E279 A284 D285 S297	R190-H281 WeakPolarHBondContact O-CA 3.4Å; K192-H281 HydrophobicContact CB-CB 4.43Å; K192-H281 WeakPolarHBondContact CB-ND1 3.18Å; K192-H281 PolarHBondContact N-ND1 3.02Å; A277-H281 PolarHBondContact O-N 3.29Å; D278-H281 WeakPolarHBondContact O-CA 3.26Å; D278-H281 WeakPolarHBondContact O-CB 3.44Å; D278-H281 PolarHBondContact O-N 3.17Å; E279-H281 VanDerWaalsContact C-N 3.29Å; E279-H281 PolarHBondContact O-N 2.92Å; H281-A284 CarbonylContact O-C 3.58Å; H281-A284 PolarHBondContact O-N 2.72Å; H281-D285 PolarHBondContact O-N 2.96Å; H281-S297 PolarHBondContact NE2-OG 3.28Å
282	E	96.2	Very high	96.4	Very high	128 Å²	128	40.6 Å²	40.6	60%	0.598	22%	0.217	S	C	*	.	H	α-helix	trans	-63.3	-45	176.3	-69.3	178.2	-177.3	0	0	111.8	D278 E279 A284 D285 V286	D278-E282 PolarHBondContact O-N 3.45Å; E279-E282 PolarHBondContact O-N 3.23Å; E282-A284 VanDerWaalsContact C-N 3.33Å; E282-A284 PolarHBondContact O-N 2.88Å; E282-D285 PolarHBondContact O-N 3.05Å; E282-V286 PolarHBondContact O-N 2.85Å
283	K	96.9	Very high	96.5	Very high	33 Å²	33	41.1 Å²	41.1	14%	0.143	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-44.3	172.8	-68.5	172.5	-172.6	166.2	0	111.2	D275 E279 D285 V286 F287 I322 L364	D275-K283 IonicContact OD1-NZ 3.62Å; D275-K283 WeakPolarHBondContact OD2-CE 3.21Å; D275-K283 IonicContact OD2-NZ 3.67Å; D275-K283 PolarHBondContact OD2-NZ 3.4Å; E279-K283 WeakPolarHBondContact O-CG 3.44Å; E279-K283 PolarHBondContact O-N 3.11Å; K283-D285 PolarHBondContact O-N 3.1Å; K283-V286 PolarHBondContact O-N 3.14Å; K283-F287 PolarHBondContact O-N 3.26Å; K283-I322 HydrophobicContact CB-CD1 4.35Å; K283-I322 HydrophobicContact CB-CG2 3.87Å; K283-I322 HydrophobicContact CD-CG2 4.38Å; K283-I322 HydrophobicContact CG-CG2 3.91Å; K283-L364 HydrophobicContact CB-CD2 4.28Å
284	A	97.5	Very high	96.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-32.7	177.5	0	0	0	0	0	113.4	L189 R190 L191 A280 H281 E282 F287 T288	L189-A284 HydrophobicContact CD1-CB 3.64Å; R190-A284 WeakPolarHBondContact O-CB 3.11Å; L191-A284 HydrophobicContact CD2-CB 3.8Å; A280-A284 VanDerWaalsContact O-CB 3.28Å; A280-A284 WeakPolarHBondContact O-CB 3.5Å; A280-A284 PolarHBondContact O-N 3.49Å; H281-A284 CarbonylContact O-C 3.58Å; H281-A284 PolarHBondContact O-N 2.72Å; E282-A284 VanDerWaalsContact C-N 3.33Å; E282-A284 PolarHBondContact O-N 2.88Å; A284-F287 PolarHBondContact O-N 2.77Å; A284-T288 VanDerWaalsContact O-CB 3.27Å; A284-T288 WeakPolarHBondContact O-CB 3.48Å; A284-T288 PolarHBondContact O-N 3.12Å; A284-T288 PolarHBondContact O-OG1 3.43Å
285	D	97.8	Very high	96.6	Very high	21 Å²	21	45.3 Å²	45.3	11%	0.112	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-47.9	174.8	-169.5	-38.3	0	0	0	110.7	H281 E282 K283 F287 T288 R289 S295 P296 S297	H281-D285 PolarHBondContact O-N 2.96Å; E282-D285 PolarHBondContact O-N 3.05Å; K283-D285 PolarHBondContact O-N 3.1Å; D285-F287 PolarHBondContact O-N 2.6Å; D285-T288 PolarHBondContact O-N 3.01Å; D285-R289 WeakPolarHBondContact O-CG 3.17Å; D285-R289 PolarHBondContact O-N 3.31Å; D285-R289 WeakPolarHBondContact OD1-CD 3.34Å; D285-R289 IonicContact OD1-CZ 3.79Å; D285-R289 IonicContact OD1-NE 2.65Å; D285-R289 PolarHBondContact OD1-NE 3.04Å; D285-S295 VanDerWaalsContact CG-OG 3.29Å; D285-S295 WeakPolarHBondContact OD1-CB 3.22Å; D285-S295 PolarHBondContact OD1-OG 2.69Å; D285-S295 PolarHBondContact OD2-OG 3.35Å; D285-P296 HydrophobicContact CB-CG 4.07Å; D285-S297 PolarHBondContact OD2-OG 2.73Å
286	V	97.3	Very high	96.7	Very high	28 Å²	28	45.2 Å²	45.2	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-53.7	-55.8	173	174	0	0	0	0	110.3	E282 K283 T288 R289 E290 A325	E282-V286 PolarHBondContact O-N 2.85Å; K283-V286 PolarHBondContact O-N 3.14Å; V286-T288 VanDerWaalsContact C-N 3.29Å; V286-T288 PolarHBondContact O-N 2.81Å; V286-R289 PolarHBondContact O-N 2.74Å; V286-E290 HydrophobicContact CG1-CG 4.36Å; V286-E290 WeakPolarHBondContact O-CG 3.37Å; V286-E290 PolarHBondContact O-N 3.36Å; V286-A325 HydrophobicContact CG1-CB 3.71Å; V286-A325 HydrophobicContact CG2-CB 4.33Å
287	F	98.1	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-53.5	-45.4	178.6	172	-101.3	0	0	0	112.9	A185 L189 K283 A284 D285 R289 E290 C291 L307 L315 Q318 L319 I322	A185-F287 HydrophobicContact CB-CE1 3.74Å; A185-F287 HydrophobicContact CB-CE2 4.27Å; A185-F287 HydrophobicContact CB-CZ 3.52Å; L189-F287 HydrophobicContact CD1-CD1 3.85Å; L189-F287 HydrophobicContact CD1-CE1 4.2Å; K283-F287 PolarHBondContact O-N 3.26Å; A284-F287 PolarHBondContact O-N 2.77Å; D285-F287 PolarHBondContact O-N 2.6Å; F287-R289 PolarHBondContact O-N 2.8Å; F287-E290 PolarHBondContact O-N 3.19Å; F287-C291 VanDerWaalsContact CZ-SG 3.57Å; F287-C291 WeakPolarHBondContact O-CB 3.49Å; F287-C291 PolarHBondContact O-N 3.46Å; F287-C291 PolarHBondContact O-SG 3.24Å; F287-L307 HydrophobicContact CE1-CD2 4.18Å; F287-L315 HydrophobicContact CE1-CD2 4.13Å; F287-L315 VanDerWaalsContact CE2-O 3.25Å; F287-L315 WeakPolarHBondContact CE2-O 3.33Å; F287-L315 HydrophobicContact CZ-CB 4.2Å; F287-L315 HydrophobicContact CZ-CD2 3.84Å; F287-Q318 HydrophobicContact CD2-CB 4.2Å; F287-Q318 HydrophobicContact CE2-CB 3.88Å; F287-L319 HydrophobicContact CD2-CD2 4.23Å; F287-L319 HydrophobicContact CE2-CD2 3.96Å; F287-L319 HydrophobicContact CE2-CG 4.14Å; F287-I322 HydrophobicContact CB-CD1 3.78Å; F287-I322 HydrophobicContact CB-CG1 3.87Å; F287-I322 HydrophobicContact CD2-CD1 4.46Å; F287-I322 HydrophobicContact CG-CD1 4.38Å
288	T	98.3	Very high	96.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-41.7	-177.7	-59.1	0	0	0	0	111.5	A284 D285 V286 C291 C293 Q294 L307	A284-T288 VanDerWaalsContact O-CB 3.27Å; A284-T288 WeakPolarHBondContact O-CB 3.48Å; A284-T288 PolarHBondContact O-N 3.12Å; A284-T288 PolarHBondContact O-OG1 3.43Å; D285-T288 PolarHBondContact O-N 3.01Å; V286-T288 VanDerWaalsContact C-N 3.29Å; V286-T288 PolarHBondContact O-N 2.81Å; T288-C291 WeakPolarHBondContact O-CB 3.42Å; T288-C291 PolarHBondContact O-N 3.28Å; T288-C293 HydrophobicContact CG2-CB 3.62Å; T288-C293 WeakPolarHBondContact O-CB 3.41Å; T288-C293 PolarHBondContact O-N 3.06Å; T288-C293 VanDerWaalsContact O-N 3.1Å; T288-Q294 WeakPolarHBondContact CG2-O 3.4Å; T288-L307 HydrophobicContact CG2-CD1 4.01Å; T288-L307 HydrophobicContact CG2-CD2 4.3Å; T288-L307 HydrophobicContact CG2-CG 4.2Å
289	R	97.9	Very high	96.6	Very high	120 Å²	120	47.8 Å²	47.8	45%	0.453	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-40.1	177.8	-71.2	-174.1	-69.8	112.8	-0.5	112.4	D285 V286 F287 C291 G292	D285-R289 WeakPolarHBondContact O-CG 3.17Å; D285-R289 PolarHBondContact O-N 3.31Å; D285-R289 WeakPolarHBondContact OD1-CD 3.34Å; D285-R289 IonicContact OD1-CZ 3.79Å; D285-R289 IonicContact OD1-NE 2.65Å; D285-R289 PolarHBondContact OD1-NE 3.04Å; V286-R289 PolarHBondContact O-N 2.74Å; F287-R289 PolarHBondContact O-N 2.8Å; R289-C291 VanDerWaalsContact C-N 3.26Å; R289-C291 PolarHBondContact O-N 2.87Å; R289-G292 WeakPolarHBondContact O-CA 3.13Å; R289-G292 PolarHBondContact O-N 3.5Å
290	E	97.4	Very high	96.7	Very high	102 Å²	102	44.3 Å²	44.3	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-70.6	-24.2	178.1	-63.1	-65.1	148.2	0	0	112.2	V286 F287 G292 Q318	V286-E290 HydrophobicContact CG1-CG 4.36Å; V286-E290 WeakPolarHBondContact O-CG 3.37Å; V286-E290 PolarHBondContact O-N 3.36Å; F287-E290 PolarHBondContact O-N 3.19Å; E290-G292 PolarHBondContact O-N 3.02Å; E290-Q318 PolarHBondContact O-NE2 3.23Å
291	C	97.9	Very high	96.5	Very high	12 Å²	12	50.9 Å²	50.9	8%	0.081	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-2.8	165.8	-69.9	0	0	0	0	114.1	F287 T288 R289 C293 L307 L310 Q318	F287-C291 VanDerWaalsContact CZ-SG 3.57Å; F287-C291 WeakPolarHBondContact O-CB 3.49Å; F287-C291 PolarHBondContact O-N 3.46Å; F287-C291 PolarHBondContact O-SG 3.24Å; T288-C291 WeakPolarHBondContact O-CB 3.42Å; T288-C291 PolarHBondContact O-N 3.28Å; R289-C291 VanDerWaalsContact C-N 3.26Å; R289-C291 PolarHBondContact O-N 2.87Å; C291-C293 VanDerWaalsContact C-N 3.35Å; C291-L307 HydrophobicContact CB-CD2 3.88Å; C291-L310 HydrophobicContact CB-CD1 3.65Å; C291-Q318 VanDerWaalsContact SG-CB 3.59Å
292	G	97.3	Very high	96.4	Very high	68 Å²	68	51.6 Å²	51.6	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	12.9	-177.2	0	0	0	0	0	114.4	R289 E290	R289-G292 WeakPolarHBondContact O-CA 3.13Å; R289-G292 PolarHBondContact O-N 3.5Å; E290-G292 PolarHBondContact O-N 3.02Å
293	C	98	Very high	96.4	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.068	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-93.5	161.3	175.9	-62	0	0	0	0	111.5	T288 C291 C306	T288-C293 HydrophobicContact CG2-CB 3.62Å; T288-C293 WeakPolarHBondContact O-CB 3.41Å; T288-C293 PolarHBondContact O-N 3.06Å; T288-C293 VanDerWaalsContact O-N 3.1Å; C291-C293 VanDerWaalsContact C-N 3.35Å; C293-C306 WeakPolarHBondContact CA-SG 3.14Å; C293-C306 HydrophobicContact CB-CB 3.69Å; C293-C306 WeakPolarHBondContact CB-SG 3.4Å; C293-C306 VanDerWaalsContact SG-C 3.58Å; C293-C306 WeakPolarHBondContact SG-CB 3.47Å; C293-C306 CovalentContact SG-SG 2.04Å; C293-C306 PolarHBondContact SG-SG 3.22Å
294	Q	96.4	Very high	96.3	Very high	98 Å²	98	44.1 Å²	44.1	46%	0.458	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-63.3	154.8	172.7	-170.7	167.4	17.2	0	0	110.5	T288 V298 S303	T288-Q294 WeakPolarHBondContact CG2-O 3.4Å; Q294-V298 HydrophobicContact CG-CB 4.26Å; Q294-V298 HydrophobicContact CG-CG1 4.45Å; Q294-S303 PolarHBondContact O-OG 3.47Å
295	S	97.2	Very high	96.3	Very high	18 Å²	18	48.2 Å²	48.2	13%	0.126	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.7	133.5	173.2	160.8	0	0	0	0	110.4	D285 S297 V298 D299 S303	D285-S295 VanDerWaalsContact CG-OG 3.29Å; D285-S295 WeakPolarHBondContact OD1-CB 3.22Å; D285-S295 PolarHBondContact OD1-OG 2.69Å; D285-S295 PolarHBondContact OD2-OG 3.35Å; S295-S297 PolarHBondContact O-N 3.41Å; S295-S297 WeakPolarHBondContact OG-CB 3.31Å; S295-S297 PolarHBondContact OG-N 3.01Å; S295-S297 VanDerWaalsContact OG-N 3.09Å; S295-V298 PolarHBondContact O-N 3.19Å; S295-D299 PolarHBondContact O-N 3.47Å; S295-D299 VanDerWaalsContact O-N 3.11Å; S295-S303 VanDerWaalsContact C-OG 3.25Å; S295-S303 PolarHBondContact O-OG 3.14Å
296	P	95.5	Very high	96.3	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.045	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.1	175.2	29.5	-36	0	0	0	112.5	L191 D285 V298 R300 S303	L191-P296 HydrophobicContact CD1-CB 4.22Å; L191-P296 HydrophobicContact CD2-CB 3.79Å; L191-P296 HydrophobicContact CD2-CG 3.81Å; L191-P296 HydrophobicContact CG-CB 4.43Å; D285-P296 HydrophobicContact CB-CG 4.07Å; P296-V298 VanDerWaalsContact C-N 3.28Å; P296-R300 WeakPolarHBondContact O-CA 3.48Å; P296-R300 PolarHBondContact O-N 2.86Å; P296-S303 VanDerWaalsContact CA-OG 3.28Å; P296-S303 WeakPolarHBondContact CA-OG 3.41Å
297	S	94	Very high	96.3	Very high	73 Å²	73	47.8 Å²	47.8	51%	0.51	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.1	173.2	-51.6	0	0	0	0	112.5	H281 D285 S295	H281-S297 PolarHBondContact NE2-OG 3.28Å; D285-S297 PolarHBondContact OD2-OG 2.73Å; S295-S297 PolarHBondContact O-N 3.41Å; S295-S297 WeakPolarHBondContact OG-CB 3.31Å; S295-S297 PolarHBondContact OG-N 3.01Å; S295-S297 VanDerWaalsContact OG-N 3.09Å
298	V	94.8	Very high	96.3	Very high	104 Å²	104	49.9 Å²	49.9	63%	0.63	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-54.5	176	-178.8	0	0	0	0	110.9	Q294 S295 P296	Q294-V298 HydrophobicContact CG-CB 4.26Å; Q294-V298 HydrophobicContact CG-CG1 4.45Å; S295-V298 PolarHBondContact O-N 3.19Å; P296-V298 VanDerWaalsContact C-N 3.28Å
299	D	93.4	Very high	96.3	Very high	68 Å²	68	57.9 Å²	57.9	36%	0.364	31%	0.308	S	S	.	.			trans	-143.8	95.4	175	-173.6	-21.6	0	0	0	109.9	S295 K301 A302 S303	S295-D299 PolarHBondContact O-N 3.47Å; S295-D299 VanDerWaalsContact O-N 3.11Å; D299-K301 VanDerWaalsContact C-N 3.27Å; D299-K301 PolarHBondContact O-N 2.86Å; D299-K301 PolarHBondContact OD1-N 3.27Å; D299-A302 HydrophobicContact CB-CB 3.95Å; D299-A302 VanDerWaalsContact CG-CB 3.44Å; D299-A302 PolarHBondContact O-N 2.85Å; D299-A302 PolarHBondContact OD1-N 2.81Å; D299-A302 WeakPolarHBondContact OD2-CB 3.22Å; D299-S303 VanDerWaalsContact O-CB 3.3Å; D299-S303 WeakPolarHBondContact O-CB 3.3Å; D299-S303 PolarHBondContact O-N 2.69Å; D299-S303 PolarHBondContact O-OG 2.93Å
300	R	94.4	Very high	96.3	Very high	20 Å²	20	54.1 Å²	54.1	8%	0.075	30%	0.296	C	S	.	.	H	α-helix	trans	-56.7	-39.4	178.5	-171	-167.6	-173.3	-78.6	-0.1	112.8	L191 K192 Q200 D202 P296 L304	L191-R300 HydrophobicContact CB-CG 4.44Å; L191-R300 PolarHBondContact O-NH2 3.47Å; K192-R300 WeakPolarHBondContact O-CD 3.43Å; K192-R300 PolarHBondContact O-NE 3.44Å; Q200-R300 VanDerWaalsContact CG-NH1 3.27Å; D202-R300 PolarHBondContact O-NH2 3Å; P296-R300 WeakPolarHBondContact O-CA 3.48Å; P296-R300 PolarHBondContact O-N 2.86Å; R300-L304 WeakPolarHBondContact O-CB 3.23Å; R300-L304 PolarHBondContact O-N 2.74Å
301	K	93	Very high	96.3	Very high	141 Å²	141	53 Å²	53	61%	0.613	29%	0.294	S	S	*	.	H	α-helix	trans	-71.2	-49.5	-175.3	-177.9	-179.9	174.5	-178.6	0	110	D299 S303 L304 E305	D299-K301 VanDerWaalsContact C-N 3.27Å; D299-K301 PolarHBondContact O-N 2.86Å; D299-K301 PolarHBondContact OD1-N 3.27Å; K301-S303 VanDerWaalsContact C-N 3.28Å; K301-S303 PolarHBondContact O-N 3.02Å; K301-L304 PolarHBondContact O-N 2.67Å; K301-E305 WeakPolarHBondContact CE-OE1 3.32Å; K301-E305 WeakPolarHBondContact O-CB 3.46Å; K301-E305 WeakPolarHBondContact O-CG 3.45Å; K301-E305 PolarHBondContact O-N 3.24Å
302	A	94.8	Very high	96.3	Very high	33 Å²	33	53.4 Å²	53.4	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-40.1	176.5	0	0	0	0	0	111.8	D299 E305 C306	D299-A302 HydrophobicContact CB-CB 3.95Å; D299-A302 VanDerWaalsContact CG-CB 3.44Å; D299-A302 PolarHBondContact O-N 2.85Å; D299-A302 PolarHBondContact OD1-N 2.81Å; D299-A302 WeakPolarHBondContact OD2-CB 3.22Å; A302-E305 PolarHBondContact O-N 3.25Å; A302-C306 VanDerWaalsContact O-CB 3.3Å; A302-C306 WeakPolarHBondContact O-CB 3.28Å; A302-C306 PolarHBondContact O-N 2.89Å
303	S	96.2	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-50.5	176.4	-56.9	0	0	0	0	112	Q294 S295 P296 D299 K301 E305 C306 L307	Q294-S303 PolarHBondContact O-OG 3.47Å; S295-S303 VanDerWaalsContact C-OG 3.25Å; S295-S303 PolarHBondContact O-OG 3.14Å; P296-S303 VanDerWaalsContact CA-OG 3.28Å; P296-S303 WeakPolarHBondContact CA-OG 3.41Å; D299-S303 VanDerWaalsContact O-CB 3.3Å; D299-S303 WeakPolarHBondContact O-CB 3.3Å; D299-S303 PolarHBondContact O-N 2.69Å; D299-S303 PolarHBondContact O-OG 2.93Å; K301-S303 VanDerWaalsContact C-N 3.28Å; K301-S303 PolarHBondContact O-N 3.02Å; S303-E305 PolarHBondContact O-N 2.82Å; S303-C306 WeakPolarHBondContact O-CB 3.16Å; S303-C306 PolarHBondContact O-N 3.24Å; S303-L307 WeakPolarHBondContact O-CG 3.37Å; S303-L307 PolarHBondContact O-N 3.4Å
304	L	95.9	Very high	96.2	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-40.1	179.7	-177.1	59.3	0	0	0	112.1	F75 L191 D202 A203 R300 K301 C306 R308	F75-L304 HydrophobicContact CB-CD1 4.36Å; F75-L304 HydrophobicContact CD2-CD1 3.74Å; F75-L304 HydrophobicContact CG-CD1 4.44Å; L191-L304 HydrophobicContact CD1-CB 4.46Å; L191-L304 HydrophobicContact CD1-CD1 4.48Å; D202-L304 HydrophobicContact CB-CD2 3.42Å; D202-L304 VanDerWaalsContact CB-CD2 3.42Å; A203-L304 HydrophobicContact CB-CD1 4.16Å; R300-L304 WeakPolarHBondContact O-CB 3.23Å; R300-L304 PolarHBondContact O-N 2.74Å; K301-L304 PolarHBondContact O-N 2.67Å; L304-C306 VanDerWaalsContact C-N 3.33Å; L304-R308 WeakPolarHBondContact O-CB 3.48Å; L304-R308 VanDerWaalsContact O-CG 3.26Å; L304-R308 WeakPolarHBondContact O-CG 3.37Å; L304-R308 PolarHBondContact O-N 2.89Å
305	E	96.2	Very high	96.3	Very high	87 Å²	87	49.8 Å²	49.8	41%	0.407	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-36.9	174	-74.4	179.7	-170.3	0	0	112.5	K301 A302 S303 K309	K301-E305 WeakPolarHBondContact CE-OE1 3.32Å; K301-E305 WeakPolarHBondContact O-CB 3.46Å; K301-E305 WeakPolarHBondContact O-CG 3.45Å; K301-E305 PolarHBondContact O-N 3.24Å; A302-E305 PolarHBondContact O-N 3.25Å; S303-E305 PolarHBondContact O-N 2.82Å; E305-K309 WeakPolarHBondContact O-CG 3.46Å; E305-K309 PolarHBondContact O-N 3.07Å
306	C	98.2	Very high	96.3	Very high	40 Å²	40	49 Å²	49	27%	0.27	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-53.4	174.5	175.9	0	0	0	0	111.2	C293 A302 S303 L304 R308 K309 L310	C293-C306 WeakPolarHBondContact CA-SG 3.14Å; C293-C306 HydrophobicContact CB-CB 3.69Å; C293-C306 WeakPolarHBondContact CB-SG 3.4Å; C293-C306 VanDerWaalsContact SG-C 3.58Å; C293-C306 WeakPolarHBondContact SG-CB 3.47Å; C293-C306 CovalentContact SG-SG 2.04Å; C293-C306 PolarHBondContact SG-SG 3.22Å; A302-C306 VanDerWaalsContact O-CB 3.3Å; A302-C306 WeakPolarHBondContact O-CB 3.28Å; A302-C306 PolarHBondContact O-N 2.89Å; S303-C306 WeakPolarHBondContact O-CB 3.16Å; S303-C306 PolarHBondContact O-N 3.24Å; L304-C306 VanDerWaalsContact C-N 3.33Å; C306-R308 PolarHBondContact O-N 2.83Å; C306-K309 PolarHBondContact O-N 2.78Å; C306-L310 PolarHBondContact O-N 3.22Å
307	L	98.3	Very high	96.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-34.9	179.5	-69.2	172.4	0	0	0	112.9	R74 F75 L189 F287 T288 C291 S303 K309 L310 L315	R74-L307 PolarHBondContact NH1-O 2.84Å; F75-L307 HydrophobicContact CE2-CB 3.74Å; F75-L307 HydrophobicContact CZ-CB 4.17Å; L189-L307 HydrophobicContact CD2-CD1 3.8Å; F287-L307 HydrophobicContact CE1-CD2 4.18Å; T288-L307 HydrophobicContact CG2-CD1 4.01Å; T288-L307 HydrophobicContact CG2-CD2 4.3Å; T288-L307 HydrophobicContact CG2-CG 4.2Å; C291-L307 HydrophobicContact CB-CD2 3.88Å; S303-L307 WeakPolarHBondContact O-CG 3.37Å; S303-L307 PolarHBondContact O-N 3.4Å; L307-K309 VanDerWaalsContact C-N 3.28Å; L307-K309 PolarHBondContact O-N 3.38Å; L307-L310 HydrophobicContact CD2-CD1 4.13Å; L307-L310 PolarHBondContact O-N 3.14Å; L307-L315 HydrophobicContact CD2-CD2 3.87Å
308	R	97.9	Very high	96.4	Very high	43 Å²	43	52.8 Å²	52.8	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-25.6	176.2	-79.3	175.1	167.1	156.4	-2.7	114.3	K72 R74 F75 D202 L304 C306	K72-R308 VanDerWaalsContact O-CZ 3.27Å; K72-R308 PolarHBondContact O-NH2 2.76Å; R74-R308 HydrophobicContact CB-CG 4.34Å; R74-R308 PolarHBondContact NH1-O 3.34Å; R74-R308 PolarHBondContact O-NE 3.41Å; R74-R308 VanDerWaalsContact O-NE 3.07Å; R74-R308 PolarHBondContact O-NH2 2.94Å; F75-R308 HydrophobicContact CD2-CG 4.08Å; F75-R308 HydrophobicContact CE2-CG 4.13Å; D202-R308 IonicContact OD1-NH2 3.42Å; D202-R308 PolarHBondContact OD1-NH2 3.09Å; D202-R308 IonicContact OD2-CZ 3.57Å; D202-R308 IonicContact OD2-NH1 3.44Å; D202-R308 PolarHBondContact OD2-NH1 2.92Å; D202-R308 IonicContact OD2-NH2 3.39Å; D202-R308 PolarHBondContact OD2-NH2 2.84Å; L304-R308 WeakPolarHBondContact O-CB 3.48Å; L304-R308 VanDerWaalsContact O-CG 3.26Å; L304-R308 WeakPolarHBondContact O-CG 3.37Å; L304-R308 PolarHBondContact O-N 2.89Å; C306-R308 PolarHBondContact O-N 2.83Å
309	K	97.8	Very high	96.5	Very high	169 Å²	169	48 Å²	48	74%	0.735	24%	0.242	S	C	*	.	H	α-helix	trans	-88.6	-17.6	-179.1	-70	170.6	-174.5	171.4	0	113.2	E305 C306 L307	E305-K309 WeakPolarHBondContact O-CG 3.46Å; E305-K309 PolarHBondContact O-N 3.07Å; C306-K309 PolarHBondContact O-N 2.78Å; L307-K309 VanDerWaalsContact C-N 3.28Å; L307-K309 PolarHBondContact O-N 3.38Å
310	L	98.1	Very high	96.4	Very high	40 Å²	40	47.7 Å²	47.7	21%	0.209	24%	0.241	C	C	.	.	S	Bend	trans	-66	152.3	178.2	-62.9	178.9	0	0	0	111.2	R74 C291 C306 L307 T314 L315	R74-L310 PolarHBondContact NH1-O 3.1Å; R74-L310 PolarHBondContact NH2-O 3.13Å; C291-L310 HydrophobicContact CB-CD1 3.65Å; C306-L310 PolarHBondContact O-N 3.22Å; L307-L310 HydrophobicContact CD2-CD1 4.13Å; L307-L310 PolarHBondContact O-N 3.14Å; L310-T314 HydrophobicContact CD1-CG2 4.28Å; L310-L315 HydrophobicContact CB-CD2 4.31Å; L310-L315 HydrophobicContact CB-CG 4.32Å; L310-L315 HydrophobicContact CD1-CD2 3.9Å
311	D	97.1	Very high	96.4	Very high	79 Å²	79	47.4 Å²	47.4	42%	0.422	24%	0.241	S	C	.	.			trans	-69	149.2	170	83.3	87	0	0	0	109.9	L313 T314 L315	D311-L313 VanDerWaalsContact C-N 3.27Å; D311-L313 PolarHBondContact O-N 2.82Å; D311-L313 VanDerWaalsContact OD1-CA 3.29Å; D311-L313 WeakPolarHBondContact OD1-CA 3.47Å; D311-L313 WeakPolarHBondContact OD1-CB 3.33Å; D311-L313 PolarHBondContact OD1-N 3.42Å; D311-T314 PolarHBondContact O-N 2.85Å; D311-T314 PolarHBondContact OD1-N 3.37Å; D311-T314 WeakPolarHBondContact OD2-CB 2.97Å; D311-T314 PolarHBondContact OD2-OG1 2.91Å; D311-L315 PolarHBondContact O-N 2.67Å
312	P	97.8	Very high	96.6	Very high	21 Å²	21	40.7 Å²	40.7	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-33.1	-177.9	-28	36.7	0	0	0	114.8	W98 E123 F186 L315 V316	W98-P312 HydrophobicContact CB-CB 4.34Å; W98-P312 VanDerWaalsContact CD1-CB 3.47Å; W98-P312 HydrophobicContact CD2-CB 3.55Å; W98-P312 HydrophobicContact CD2-CG 4.5Å; W98-P312 VanDerWaalsContact CE2-CB 3.5Å; W98-P312 HydrophobicContact CE3-CB 4.28Å; W98-P312 HydrophobicContact CG-CB 3.55Å; W98-P312 HydrophobicContact CG-CG 4.46Å; W98-P312 HydrophobicContact CZ2-CB 4.17Å; E123-P312 HydrophobicContact CG-CB 4.47Å; E123-P312 HydrophobicContact CG-CG 4.03Å; F186-P312 HydrophobicContact CE1-CB 4.18Å; F186-P312 HydrophobicContact CZ-CB 3.71Å; P312-L315 WeakPolarHBondContact O-CB 3.48Å; P312-L315 PolarHBondContact O-N 2.98Å; P312-V316 WeakPolarHBondContact O-CG2 3.49Å; P312-V316 PolarHBondContact O-N 3.48Å
313	L	96.4	Very high	96.4	Very high	56 Å²	56	40.4 Å²	40.4	29%	0.293	21%	0.206	S	C	.	.	H	α-helix	trans	-70.4	-35.1	-179.4	178.2	62	0	0	0	111.4	W98 I101 D311 L315 V316 N317	W98-L313 HydrophobicContact CH2-CB 4.41Å; W98-L313 HydrophobicContact CZ3-CB 4.08Å; W98-L313 HydrophobicContact CZ3-CD1 4.39Å; I101-L313 HydrophobicContact CD1-CD1 3.61Å; I101-L313 HydrophobicContact CG1-CD1 4.42Å; D311-L313 VanDerWaalsContact C-N 3.27Å; D311-L313 PolarHBondContact O-N 2.82Å; D311-L313 VanDerWaalsContact OD1-CA 3.29Å; D311-L313 WeakPolarHBondContact OD1-CA 3.47Å; D311-L313 WeakPolarHBondContact OD1-CB 3.33Å; D311-L313 PolarHBondContact OD1-N 3.42Å; L313-L315 VanDerWaalsContact C-N 3.31Å; L313-L315 PolarHBondContact O-N 3.4Å; L313-V316 PolarHBondContact O-N 3.27Å; L313-N317 WeakPolarHBondContact O-CB 3.47Å; L313-N317 VanDerWaalsContact O-CG 3.25Å; L313-N317 PolarHBondContact O-N 3.46Å; L313-N317 PolarHBondContact O-ND2 3.42Å
314	T	97.2	Very high	96.3	Very high	43 Å²	43	43.6 Å²	43.6	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-57.4	-45.6	170.2	-71.9	0	0	0	0	111.2	L310 D311 V316 N317 Q318	L310-T314 HydrophobicContact CD1-CG2 4.28Å; D311-T314 PolarHBondContact O-N 2.85Å; D311-T314 PolarHBondContact OD1-N 3.37Å; D311-T314 WeakPolarHBondContact OD2-CB 2.97Å; D311-T314 PolarHBondContact OD2-OG1 2.91Å; T314-V316 PolarHBondContact O-N 3.16Å; T314-N317 PolarHBondContact O-N 3.09Å; T314-Q318 HydrophobicContact CG2-CG 4.48Å; T314-Q318 VanDerWaalsContact O-CG 3.32Å; T314-Q318 WeakPolarHBondContact O-CG 3.5Å; T314-Q318 PolarHBondContact O-N 2.9Å; T314-Q318 VanDerWaalsContact O-N 3.11Å
315	L	97.8	Very high	96.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-41.5	177.9	-63.5	172.2	0	0	0	111.8	F75 F186 F287 L307 L310 D311 P312 L313	F75-L315 HydrophobicContact CE1-CD1 4.39Å; F75-L315 HydrophobicContact CZ-CD1 3.76Å; F186-L315 HydrophobicContact CD1-CD1 4.48Å; F186-L315 HydrophobicContact CE1-CD1 3.58Å; F186-L315 HydrophobicContact CE2-CB 4.34Å; F186-L315 HydrophobicContact CZ-CB 3.9Å; F186-L315 HydrophobicContact CZ-CD1 3.69Å; F186-L315 HydrophobicContact CZ-CG 4.43Å; F287-L315 HydrophobicContact CE1-CD2 4.13Å; F287-L315 VanDerWaalsContact CE2-O 3.25Å; F287-L315 WeakPolarHBondContact CE2-O 3.33Å; F287-L315 HydrophobicContact CZ-CB 4.2Å; F287-L315 HydrophobicContact CZ-CD2 3.84Å; L307-L315 HydrophobicContact CD2-CD2 3.87Å; L310-L315 HydrophobicContact CB-CD2 4.31Å; L310-L315 HydrophobicContact CB-CG 4.32Å; L310-L315 HydrophobicContact CD1-CD2 3.9Å; D311-L315 PolarHBondContact O-N 2.67Å; P312-L315 WeakPolarHBondContact O-CB 3.48Å; P312-L315 PolarHBondContact O-N 2.98Å; L313-L315 VanDerWaalsContact C-N 3.31Å; L313-L315 PolarHBondContact O-N 3.4Å
316	V	97.4	Very high	95.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-50.5	175.2	168.8	0	0	0	0	111.1	W98 Q99 Y100 F186 P312 L313 T314 Q318 L319	W98-V316 HydrophobicContact CB-CG2 4.3Å; W98-V316 HydrophobicContact CE3-CG2 4.47Å; Q99-V316 VanDerWaalsContact O-CG1 3.22Å; Q99-V316 WeakPolarHBondContact O-CG1 3.14Å; Y100-V316 HydrophobicContact CD1-CG1 3.87Å; F186-V316 HydrophobicContact CE2-CG2 3.99Å; P312-V316 WeakPolarHBondContact O-CG2 3.49Å; P312-V316 PolarHBondContact O-N 3.48Å; L313-V316 PolarHBondContact O-N 3.27Å; T314-V316 PolarHBondContact O-N 3.16Å; V316-Q318 PolarHBondContact O-N 2.87Å; V316-L319 WeakPolarHBondContact O-CB 3.13Å; V316-L319 PolarHBondContact O-N 3.3Å; V316-L319 VanDerWaalsContact O-N 3.16Å
317	N	95.5	Very high	95.6	Very high	100 Å²	100	40.9 Å²	40.9	54%	0.535	22%	0.216	S	C	.	.	H	α-helix	trans	-62.6	-31.6	-175.5	-73.5	-19.7	0	0	0	112.5	L313 T314 L319	L313-N317 WeakPolarHBondContact O-CB 3.47Å; L313-N317 VanDerWaalsContact O-CG 3.25Å; L313-N317 PolarHBondContact O-N 3.46Å; L313-N317 PolarHBondContact O-ND2 3.42Å; T314-N317 PolarHBondContact O-N 3.09Å; N317-L319 VanDerWaalsContact C-N 3.34Å
318	Q	96.8	Very high	95.2	Very high	60 Å²	60	47.9 Å²	47.9	28%	0.28	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.3	-179.4	-65.2	-61.5	-7.5	0	0	114.2	F287 E290 C291 T314 V316 D320 S321	F287-Q318 HydrophobicContact CD2-CB 4.2Å; F287-Q318 HydrophobicContact CE2-CB 3.88Å; E290-Q318 PolarHBondContact O-NE2 3.23Å; C291-Q318 VanDerWaalsContact SG-CB 3.59Å; T314-Q318 HydrophobicContact CG2-CG 4.48Å; T314-Q318 VanDerWaalsContact O-CG 3.32Å; T314-Q318 WeakPolarHBondContact O-CG 3.5Å; T314-Q318 PolarHBondContact O-N 2.9Å; T314-Q318 VanDerWaalsContact O-N 3.11Å; V316-Q318 PolarHBondContact O-N 2.87Å; Q318-D320 VanDerWaalsContact C-N 3.28Å; Q318-D320 PolarHBondContact O-N 3.36Å; Q318-S321 VanDerWaalsContact O-CB 3.22Å; Q318-S321 WeakPolarHBondContact O-CB 3.4Å; Q318-S321 PolarHBondContact O-N 3.29Å; Q318-S321 VanDerWaalsContact O-N 3.12Å; Q318-S321 PolarHBondContact O-OG 3.09Å
319	L	95.6	Very high	94.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.9	176.7	-75.6	169	0	0	0	112.6	Y100 A185 F287 V316 N317 S321 I322 L364	Y100-L319 HydrophobicContact CE1-CB 3.76Å; Y100-L319 HydrophobicContact CE1-CD1 4.09Å; Y100-L319 WeakPolarHBondContact OH-CB 3.42Å; A185-L319 HydrophobicContact CB-CD2 4.02Å; F287-L319 HydrophobicContact CD2-CD2 4.23Å; F287-L319 HydrophobicContact CE2-CD2 3.96Å; F287-L319 HydrophobicContact CE2-CG 4.14Å; V316-L319 WeakPolarHBondContact O-CB 3.13Å; V316-L319 PolarHBondContact O-N 3.3Å; V316-L319 VanDerWaalsContact O-N 3.16Å; N317-L319 VanDerWaalsContact C-N 3.34Å; L319-S321 PolarHBondContact O-N 3.18Å; L319-I322 PolarHBondContact O-N 3.01Å; L319-L364 HydrophobicContact CD2-CD1 3.73Å; L319-L364 HydrophobicContact CD2-CG 4.29Å
320	D	92.2	Very high	94.4	Very high	63 Å²	63	43.2 Å²	43.2	34%	0.337	23%	0.229	S	C	.	.	H	α-helix	trans	-65.4	-20.5	177.8	-170	59.7	0	0	0	112.5	Q318 I322 N323 V324 R357	Q318-D320 VanDerWaalsContact C-N 3.28Å; Q318-D320 PolarHBondContact O-N 3.36Å; D320-I322 PolarHBondContact O-N 2.6Å; D320-N323 WeakPolarHBondContact O-CB 3.35Å; D320-N323 PolarHBondContact O-N 2.76Å; D320-V324 VanDerWaalsContact O-CG2 3.26Å; D320-V324 WeakPolarHBondContact O-CG2 3.44Å; D320-V324 PolarHBondContact O-N 3.24Å; D320-R357 VanDerWaalsContact CG-NH1 3.28Å; D320-R357 IonicContact OD1-NH1 2.78Å; D320-R357 PolarHBondContact OD1-NH1 3.29Å; D320-R357 IonicContact OD2-CZ 3.46Å; D320-R357 IonicContact OD2-NH1 3.18Å; D320-R357 PolarHBondContact OD2-NH1 2.89Å; D320-R357 IonicContact OD2-NH2 3.07Å
321	S	95.4	Very high	93.9	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-30.1	175.7	74.5	0	0	0	0	112.8	Q318 L319 V324 A325	Q318-S321 VanDerWaalsContact O-CB 3.22Å; Q318-S321 WeakPolarHBondContact O-CB 3.4Å; Q318-S321 PolarHBondContact O-N 3.29Å; Q318-S321 VanDerWaalsContact O-N 3.12Å; Q318-S321 PolarHBondContact O-OG 3.09Å; L319-S321 PolarHBondContact O-N 3.18Å; S321-V324 WeakPolarHBondContact O-CB 3.39Å; S321-V324 PolarHBondContact O-N 3.38Å; S321-A325 WeakPolarHBondContact O-CB 3.33Å; S321-A325 PolarHBondContact O-N 2.84Å
322	I	95.6	Very high	93.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-47.7	174.5	-55.2	-176.9	0	0	0	109.8	K283 F287 L319 D320 V324 A325 I326 P363 L364	K283-I322 HydrophobicContact CB-CD1 4.35Å; K283-I322 HydrophobicContact CB-CG2 3.87Å; K283-I322 HydrophobicContact CD-CG2 4.38Å; K283-I322 HydrophobicContact CG-CG2 3.91Å; F287-I322 HydrophobicContact CB-CD1 3.78Å; F287-I322 HydrophobicContact CB-CG1 3.87Å; F287-I322 HydrophobicContact CD2-CD1 4.46Å; F287-I322 HydrophobicContact CG-CD1 4.38Å; L319-I322 PolarHBondContact O-N 3.01Å; D320-I322 PolarHBondContact O-N 2.6Å; I322-V324 VanDerWaalsContact C-N 3.31Å; I322-V324 PolarHBondContact O-N 3.19Å; I322-A325 PolarHBondContact O-N 3.24Å; I322-A325 VanDerWaalsContact O-N 3.13Å; I322-I326 HydrophobicContact CG2-CD1 3.8Å; I322-I326 HydrophobicContact CG2-CG1 4.35Å; I322-I326 WeakPolarHBondContact O-CG1 3.35Å; I322-I326 PolarHBondContact O-N 3.06Å; I322-P363 HydrophobicContact CB-CB 3.96Å; I322-P363 HydrophobicContact CD1-CB 4.12Å; I322-P363 HydrophobicContact CG2-CB 4.21Å; I322-L364 HydrophobicContact CD1-CD1 4.28Å; I322-L364 HydrophobicContact CD1-CD2 3.64Å; I322-L364 HydrophobicContact CD1-CG 3.7Å
323	N	92	Very high	92.7	Very high	26 Å²	26	44 Å²	44	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-34.3	178.1	-67.6	-23.9	0	0	0	112.1	D320 G327	D320-N323 WeakPolarHBondContact O-CB 3.35Å; D320-N323 PolarHBondContact O-N 2.76Å; N323-G327 PolarHBondContact O-N 2.53Å
324	V	92.7	Very high	92	Very high	67 Å²	67	41.4 Å²	41.4	41%	0.406	22%	0.215	S	C	.	.	H	α-helix	trans	-59.6	-49.4	170.6	-179.7	0	0	0	0	110.1	D320 S321 I322 G327 K328	D320-V324 VanDerWaalsContact O-CG2 3.26Å; D320-V324 WeakPolarHBondContact O-CG2 3.44Å; D320-V324 PolarHBondContact O-N 3.24Å; S321-V324 WeakPolarHBondContact O-CB 3.39Å; S321-V324 PolarHBondContact O-N 3.38Å; I322-V324 VanDerWaalsContact C-N 3.31Å; I322-V324 PolarHBondContact O-N 3.19Å; V324-G327 PolarHBondContact O-N 3.24Å; V324-K328 PolarHBondContact O-N 3.06Å
325	A	93.6	Very high	91.2	Very high	36 Å²	36	44.7 Å²	44.7	30%	0.298	22%	0.223	S	C	.	.	H	α-helix	trans	-66.1	-44.2	-178.3	0	0	0	0	0	112.2	V286 S321 I322 K328 H329	V286-A325 HydrophobicContact CG1-CB 3.71Å; V286-A325 HydrophobicContact CG2-CB 4.33Å; S321-A325 WeakPolarHBondContact O-CB 3.33Å; S321-A325 PolarHBondContact O-N 2.84Å; I322-A325 PolarHBondContact O-N 3.24Å; I322-A325 VanDerWaalsContact O-N 3.13Å; A325-K328 WeakPolarHBondContact O-CB 3.47Å; A325-K328 PolarHBondContact O-N 3.11Å; A325-H329 PolarHBondContact O-N 2.75Å
326	I	91.1	Very high	90.3	Very high	35 Å²	35	51.1 Å²	51.1	18%	0.179	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-47.2	173.5	-67.9	170.2	0	0	0	109.9	I322 K328 H329 R330	I322-I326 HydrophobicContact CG2-CD1 3.8Å; I322-I326 HydrophobicContact CG2-CG1 4.35Å; I322-I326 WeakPolarHBondContact O-CG1 3.35Å; I322-I326 PolarHBondContact O-N 3.06Å; I326-K328 VanDerWaalsContact C-N 3.27Å; I326-K328 PolarHBondContact O-N 3.32Å; I326-H329 PolarHBondContact O-N 3.3Å; I326-H329 VanDerWaalsContact O-N 3.15Å; I326-R330 HydrophobicContact CG2-CG 4.22Å; I326-R330 WeakPolarHBondContact O-CB 3.42Å; I326-R330 VanDerWaalsContact O-CG 3.28Å; I326-R330 WeakPolarHBondContact O-CG 3.2Å; I326-R330 PolarHBondContact O-N 3.28Å
327	G	90.6	Very high	89.5	Confident	3 Å²	3	54 Å²	54	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-40.3	176.7	0	0	0	0	0	112.7	N323 V324 Y331 T356	N323-G327 PolarHBondContact O-N 2.53Å; V324-G327 PolarHBondContact O-N 3.24Å; G327-Y331 PolarHBondContact O-N 3.09Å; G327-T356 PolarHBondContact O-OG1 2.91Å
328	K	90	Very high	88.5	Confident	147 Å²	147	49.7 Å²	49.7	64%	0.639	24%	0.239	S	C	*	.	H	α-helix	trans	-65.9	-45.2	175	-175	-179.4	177.6	-177.1	0	112.2	V324 A325 I326 R330 Y331 D332	V324-K328 PolarHBondContact O-N 3.06Å; A325-K328 WeakPolarHBondContact O-CB 3.47Å; A325-K328 PolarHBondContact O-N 3.11Å; I326-K328 VanDerWaalsContact C-N 3.27Å; I326-K328 PolarHBondContact O-N 3.32Å; K328-R330 VanDerWaalsContact C-N 3.32Å; K328-R330 PolarHBondContact O-N 3.06Å; K328-Y331 WeakPolarHBondContact O-CB 3.44Å; K328-Y331 PolarHBondContact O-N 3.5Å; K328-D332 PolarHBondContact O-N 3.29Å
329	H	89.2	Confident	87.3	Confident	110 Å²	110	47.5 Å²	47.5	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-43.5	176.3	-175.6	-94.7	0	0	0	111.6	A325 I326 Y331 D332 A333 E459	A325-H329 PolarHBondContact O-N 2.75Å; I326-H329 PolarHBondContact O-N 3.3Å; I326-H329 VanDerWaalsContact O-N 3.15Å; H329-Y331 VanDerWaalsContact C-N 3.3Å; H329-Y331 PolarHBondContact O-N 3.46Å; H329-D332 WeakPolarHBondContact O-CB 3.36Å; H329-D332 PolarHBondContact O-N 3.38Å; H329-D332 VanDerWaalsContact O-N 3.12Å; H329-A333 PolarHBondContact O-N 3.04Å; H329-E459 IonicContact CE1-OE1 3.41Å; H329-E459 PolarHBondContact CE1-OE1 3.18Å; H329-E459 IonicContact CE1-OE2 3.4Å; H329-E459 PolarHBondContact CE1-OE2 3.29Å; H329-E459 IonicContact CG-OE1 2.63Å; H329-E459 VanDerWaalsContact ND1-CD 3.27Å; H329-E459 IonicContact ND1-OE1 2.84Å; H329-E459 PolarHBondContact ND1-OE1 3.3Å; H329-E459 IonicContact ND1-OE2 3.6Å; H329-E459 PolarHBondContact ND1-OE2 3.24Å; H329-E459 VanDerWaalsContact ND1-OE2 3.13Å
330	R	90	Very high	85.6	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-37.2	174.7	-71.7	174.6	59.1	77.7	4.3	112.6	I326 K328 D332 A333 V334 T356 L358 T454 L457 E459 M462	I326-R330 HydrophobicContact CG2-CG 4.22Å; I326-R330 WeakPolarHBondContact O-CB 3.42Å; I326-R330 VanDerWaalsContact O-CG 3.28Å; I326-R330 WeakPolarHBondContact O-CG 3.2Å; I326-R330 PolarHBondContact O-N 3.28Å; K328-R330 VanDerWaalsContact C-N 3.32Å; K328-R330 PolarHBondContact O-N 3.06Å; R330-D332 VanDerWaalsContact C-N 3.32Å; R330-D332 PolarHBondContact O-N 3.06Å; R330-A333 PolarHBondContact O-N 2.84Å; R330-V334 WeakPolarHBondContact O-CB 3.38Å; R330-V334 VanDerWaalsContact O-CG2 3.29Å; R330-V334 WeakPolarHBondContact O-CG2 3.39Å; R330-V334 PolarHBondContact O-N 3.09Å; R330-T356 WeakPolarHBondContact CD-O 3.29Å; R330-T356 PolarHBondContact NE-O 3.17Å; R330-L358 VanDerWaalsContact NH2-CD2 3.31Å; R330-T454 PolarHBondContact NH2-O 3.36Å; R330-L457 VanDerWaalsContact CZ-O 3.26Å; R330-L457 PolarHBondContact NH1-O 2.99Å; R330-L457 PolarHBondContact NH2-O 3.49Å; R330-E459 HydrophobicContact CG-CG 4.03Å; R330-E459 WeakPolarHBondContact CG-OE1 3.41Å; R330-M462 HydrophobicContact CB-CE 4.36Å; R330-M462 HydrophobicContact CG-CE 4.4Å; R330-M462 VanDerWaalsContact NH1-CE 3.27Å
331	Y	87.3	Confident	84.2	Confident	63 Å²	63	57.6 Å²	57.6	25%	0.247	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-44.9	173.9	175.7	-93.7	0	0	0	111.5	G327 K328 H329 A333 V334 R335 L350 T356	G327-Y331 PolarHBondContact O-N 3.09Å; K328-Y331 WeakPolarHBondContact O-CB 3.44Å; K328-Y331 PolarHBondContact O-N 3.5Å; H329-Y331 VanDerWaalsContact C-N 3.3Å; H329-Y331 PolarHBondContact O-N 3.46Å; Y331-A333 VanDerWaalsContact C-N 3.35Å; Y331-A333 PolarHBondContact O-N 3.04Å; Y331-V334 PolarHBondContact O-N 3.48Å; Y331-R335 WeakPolarHBondContact O-CB 3.35Å; Y331-R335 PolarHBondContact O-N 3.05Å; Y331-L350 HydrophobicContact CE2-CD1 3.72Å; Y331-L350 HydrophobicContact CE2-CD2 4.38Å; Y331-L350 HydrophobicContact CE2-CG 4.14Å; Y331-T356 HydrophobicContact CD2-CG2 4.01Å
332	D	85.9	Confident	82.3	Confident	86 Å²	86	63 Å²	63	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-40.7	176.1	-66.4	-28.8	0	0	0	111.5	K328 H329 R330 R335 K336	K328-D332 PolarHBondContact O-N 3.29Å; H329-D332 WeakPolarHBondContact O-CB 3.36Å; H329-D332 PolarHBondContact O-N 3.38Å; H329-D332 VanDerWaalsContact O-N 3.12Å; R330-D332 VanDerWaalsContact C-N 3.32Å; R330-D332 PolarHBondContact O-N 3.06Å; D332-R335 PolarHBondContact O-N 3.31Å; D332-K336 VanDerWaalsContact O-CB 3.23Å; D332-K336 WeakPolarHBondContact O-CB 3.41Å; D332-K336 PolarHBondContact O-N 3.25Å
333	A	84.4	Confident	80.1	Confident	7 Å²	7	69.2 Å²	69.2	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-47.5	174.7	0	0	0	0	0	111.8	H329 R330 Y331 R335 K336 Y337 E459 M462	H329-A333 PolarHBondContact O-N 3.04Å; R330-A333 PolarHBondContact O-N 2.84Å; Y331-A333 VanDerWaalsContact C-N 3.35Å; Y331-A333 PolarHBondContact O-N 3.04Å; A333-R335 PolarHBondContact O-N 3.2Å; A333-K336 PolarHBondContact O-N 3.21Å; A333-Y337 HydrophobicContact CB-CD2 4.1Å; A333-Y337 HydrophobicContact CB-CE2 4.12Å; A333-Y337 WeakPolarHBondContact O-CB 3.27Å; A333-Y337 WeakPolarHBondContact O-CD2 3.2Å; A333-Y337 PolarHBondContact O-N 3.01Å; A333-E459 HydrophobicContact CB-CG 4.06Å; A333-M462 HydrophobicContact CB-SD 3.88Å
334	V	81.6	Confident	78.2	Confident	1 Å²	1	78 Å²	78	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-46.3	177	169.3	0	0	0	0	111.2	R330 Y331 K336 L338 L349 T454 M462	R330-V334 WeakPolarHBondContact O-CB 3.38Å; R330-V334 VanDerWaalsContact O-CG2 3.29Å; R330-V334 WeakPolarHBondContact O-CG2 3.39Å; R330-V334 PolarHBondContact O-N 3.09Å; Y331-V334 PolarHBondContact O-N 3.48Å; V334-K336 VanDerWaalsContact C-N 3.33Å; V334-K336 PolarHBondContact O-N 2.93Å; V334-L338 HydrophobicContact CG1-CB 4.47Å; V334-L338 HydrophobicContact CG1-CD1 4.17Å; V334-L338 WeakPolarHBondContact O-CA 3.28Å; V334-L338 WeakPolarHBondContact O-CB 3.26Å; V334-L338 PolarHBondContact O-N 2.93Å; V334-L349 HydrophobicContact CB-CD2 4.43Å; V334-L349 HydrophobicContact CG1-CD1 3.34Å; V334-L349 HydrophobicContact CG1-CD2 3.4Å; V334-L349 HydrophobicContact CG1-CG 3.96Å; V334-T454 HydrophobicContact CG1-CG2 4.23Å; V334-T454 HydrophobicContact CG2-CG2 4.21Å; V334-M462 HydrophobicContact CG2-CE 3.96Å; V334-M462 HydrophobicContact CG2-SD 3.6Å; V334-M462 VanDerWaalsContact CG2-SD 3.6Å
335	R	80.1	Confident	76.3	Confident	112 Å²	112	79.1 Å²	79.1	42%	0.423	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-43.3	177	176.9	178.1	156.7	160.7	-11.9	111.6	Y331 D332 A333 E346	Y331-R335 WeakPolarHBondContact O-CB 3.35Å; Y331-R335 PolarHBondContact O-N 3.05Å; D332-R335 PolarHBondContact O-N 3.31Å; A333-R335 PolarHBondContact O-N 3.2Å; R335-E346 WeakPolarHBondContact CD-OE1 3.4Å; R335-E346 IonicContact CZ-OE1 3.33Å; R335-E346 VanDerWaalsContact CZ-OE1 3.23Å; R335-E346 IonicContact NE-OE1 2.79Å; R335-E346 PolarHBondContact NE-OE1 2.77Å; R335-E346 IonicContact NH1-OE1 3.51Å; R335-E346 PolarHBondContact NH1-OE1 2.85Å
336	K	80.6	Confident	74.4	Confident	135 Å²	135	81 Å²	81	59%	0.587	36%	0.359	S	S	*	.	H	α-helix	trans	-67.7	-49.5	-179.3	179	-177.4	177.5	-172	0	112.3	D332 A333 V334	D332-K336 VanDerWaalsContact O-CB 3.23Å; D332-K336 WeakPolarHBondContact O-CB 3.41Å; D332-K336 PolarHBondContact O-N 3.25Å; A333-K336 PolarHBondContact O-N 3.21Å; V334-K336 VanDerWaalsContact C-N 3.33Å; V334-K336 PolarHBondContact O-N 2.93Å
337	Y	78.9	Confident	72.8	Confident	64 Å²	64	84 Å²	84	25%	0.251	38%	0.382	S	S	.	.	H	α-helix	trans	-88.6	-39.9	-170.2	-62.5	-59.4	0	0	0	112.4	A333 P340 M462 P464	A333-Y337 HydrophobicContact CB-CD2 4.1Å; A333-Y337 HydrophobicContact CB-CE2 4.12Å; A333-Y337 WeakPolarHBondContact O-CB 3.27Å; A333-Y337 WeakPolarHBondContact O-CD2 3.2Å; A333-Y337 PolarHBondContact O-N 3.01Å; Y337-P340 VanDerWaalsContact O-CD 3.28Å; Y337-P340 WeakPolarHBondContact O-CD 3.17Å; Y337-M462 WeakPolarHBondContact CB-O 3.45Å; Y337-M462 HydrophobicContact CD2-CB 4.37Å; Y337-P464 WeakPolarHBondContact O-CD 3.45Å; Y337-P464 WeakPolarHBondContact O-CG 3.37Å
338	L	75.2	Confident	71.3	Confident	8 Å²	8	85.1 Å²	85.1	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-97.2	-24.3	-170.8	-57	-174.6	0	0	0	115.2	V334 Y449 W450 A453 M462 P464 A467	V334-L338 HydrophobicContact CG1-CB 4.47Å; V334-L338 HydrophobicContact CG1-CD1 4.17Å; V334-L338 WeakPolarHBondContact O-CA 3.28Å; V334-L338 WeakPolarHBondContact O-CB 3.26Å; V334-L338 PolarHBondContact O-N 2.93Å; L338-Y449 VanDerWaalsContact CD2-OH 3.27Å; L338-Y449 WeakPolarHBondContact CD2-OH 3.34Å; L338-W450 HydrophobicContact CB-CH2 3.87Å; L338-W450 HydrophobicContact CB-CZ3 3.43Å; L338-W450 VanDerWaalsContact CB-CZ3 3.43Å; L338-W450 HydrophobicContact CD1-CE3 4.06Å; L338-W450 HydrophobicContact CD1-CZ3 3.68Å; L338-W450 HydrophobicContact CG-CZ3 4.14Å; L338-A453 HydrophobicContact CD1-CB 3.88Å; L338-M462 WeakPolarHBondContact CD2-O 3.43Å; L338-M462 WeakPolarHBondContact CG-O 3.41Å; L338-P464 HydrophobicContact CD2-CG 4.12Å; L338-A467 HydrophobicContact CD2-CB 4.38Å
339	L	71.1	Confident	69.9	Low	14 Å²	14	78.3 Å²	78.3	7%	0.073	36%	0.356	C	S	.	.			trans	-107.7	15.7	-178.8	-59.5	175.8	0	0	0	117.2	R341 Y342 L349 W450	L339-R341 PolarHBondContact O-N 3.01Å; L339-Y342 PolarHBondContact O-N 3.35Å; L339-L349 HydrophobicContact CD1-CB 4.4Å; L339-W450 HydrophobicContact CD2-CH2 4.03Å; L339-W450 HydrophobicContact CD2-CZ3 4.36Å
340	P	61.2	Low	68.7	Low	68 Å²	68	76.6 Å²	76.6	44%	0.442	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23	-171.4	21.7	-29.5	0	0	0	114.3	Y337 H343	Y337-P340 VanDerWaalsContact O-CD 3.28Å; Y337-P340 WeakPolarHBondContact O-CD 3.17Å; P340-H343 PolarHBondContact O-CD2 2.96Å
341	R	62.1	Low	67.6	Low	210 Å²	210	78.2 Å²	78.2	79%	0.792	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-6.2	174.6	-70.9	-173	-178.2	-177.4	-0.3	114.3	L339 G694	L339-R341 PolarHBondContact O-N 3.01Å; R341-G694 PolarHBondContact NH2-O 3.47Å
342	Y	54.4	Low	66.9	Low	125 Å²	125	75.5 Å²	75.5	49%	0.49	35%	0.352	S	S	.	.			trans	-120.2	31.3	-170.8	-65.7	-74.8	0	0	0	113.3	L339 K344 Q345	L339-Y342 PolarHBondContact O-N 3.35Å; Y342-K344 PolarHBondContact O-N 3.08Å; Y342-Q345 PolarHBondContact O-N 3.2Å
343	H	50.8	Low	66.6	Low	133 Å²	133	71.4 Å²	71.4	62%	0.616	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-7.7	179.1	-80.6	-61.9	0	0	0	115.8	P340	P340-H343 PolarHBondContact O-CD2 2.96Å
344	K	50.9	Low	66.5	Low	210 Å²	210	75.4 Å²	75.4	91%	0.913	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-1.7	172.2	-65.9	-173	177.6	-177.4	0	115.1	Y342	Y342-K344 PolarHBondContact O-N 3.08Å
345	Q	54.2	Low	66.7	Low	91 Å²	91	76.8 Å²	76.8	43%	0.425	36%	0.363	S	S	.	.			trans	-126.5	36.7	-174.4	-65.7	-179.1	-20.4	0	0	113.1	Y342 P347 F348	Y342-Q345 PolarHBondContact O-N 3.2Å; Q345-P347 WeakPolarHBondContact O-CD 3.35Å; Q345-F348 PolarHBondContact O-N 3.29Å
346	E	52.9	Low	67	Low	74 Å²	74	72.1 Å²	72.1	35%	0.346	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-26	169.4	-79.8	-149.6	162.7	0	0	115.5	R335 F348	R335-E346 WeakPolarHBondContact CD-OE1 3.4Å; R335-E346 IonicContact CZ-OE1 3.33Å; R335-E346 VanDerWaalsContact CZ-OE1 3.23Å; R335-E346 IonicContact NE-OE1 2.79Å; R335-E346 PolarHBondContact NE-OE1 2.77Å; R335-E346 IonicContact NH1-OE1 3.51Å; R335-E346 PolarHBondContact NH1-OE1 2.85Å; E346-F348 PolarHBondContact O-N 2.89Å
347	P	56.9	Low	67.5	Low	100 Å²	100	69.9 Å²	69.9	65%	0.649	34%	0.335	S	S	*	.	H	α-helix	trans	-62.7	-24.5	174.6	-24	34.6	0	0	0	114.7	Q345 S351	Q345-P347 WeakPolarHBondContact O-CD 3.35Å; P347-S351 WeakPolarHBondContact O-CB 3.42Å; P347-S351 PolarHBondContact O-N 3.15Å; P347-S351 PolarHBondContact O-OG 2.96Å
348	F	60.7	Low	68.1	Low	26 Å²	26	68 Å²	68	11%	0.114	33%	0.329	C	S	.	.	H	α-helix	trans	-69.9	-45.3	-161.6	-174.8	-117.2	0	0	0	113.5	Q345 E346 S351 E444 W450	Q345-F348 PolarHBondContact O-N 3.29Å; E346-F348 PolarHBondContact O-N 2.89Å; F348-S351 WeakPolarHBondContact O-CB 3.49Å; F348-S351 PolarHBondContact O-N 2.78Å; F348-S351 PolarHBondContact O-OG 3.31Å; F348-E444 HydrophobicContact CE2-CB 3.88Å; F348-E444 HydrophobicContact CE2-CG 4.04Å; F348-E444 WeakPolarHBondContact CE2-OE2 3.35Å; F348-E444 WeakPolarHBondContact CZ-OE2 3.21Å; F348-W450 AromaticContact CE1-CD1 3.52Å; F348-W450 HydrophobicContact CE1-CG 4.4Å; F348-W450 AromaticContact CE1-NE1 3.41Å
349	L	60.2	Low	69	Low	3 Å²	3	68.2 Å²	68.2	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-47.5	-177.3	-171.8	108.4	0	0	0	112.5	V334 L339 S351 Q352 S353 W450 T454	V334-L349 HydrophobicContact CB-CD2 4.43Å; V334-L349 HydrophobicContact CG1-CD1 3.34Å; V334-L349 HydrophobicContact CG1-CD2 3.4Å; V334-L349 HydrophobicContact CG1-CG 3.96Å; L339-L349 HydrophobicContact CD1-CB 4.4Å; L349-S351 PolarHBondContact O-N 2.95Å; L349-Q352 PolarHBondContact O-N 3.01Å; L349-S353 PolarHBondContact O-N 3.09Å; L349-W450 HydrophobicContact CD1-CD2 4.24Å; L349-W450 HydrophobicContact CD1-CE3 3.32Å; L349-W450 HydrophobicContact CD1-CZ3 3.58Å; L349-T454 HydrophobicContact CD1-CG2 3.64Å; L349-T454 HydrophobicContact CD2-CG2 3.59Å; L349-T454 HydrophobicContact CG-CG2 3.66Å
350	L	62.9	Low	70	Confident	74 Å²	74	68.6 Å²	68.6	39%	0.387	33%	0.331	S	S	.	.	H	α-helix	trans	-76.5	-10.1	177.8	-67.2	179.5	0	0	0	113	Y331 Q352 S353	Y331-L350 HydrophobicContact CE2-CD1 3.72Å; Y331-L350 HydrophobicContact CE2-CD2 4.38Å; Y331-L350 HydrophobicContact CE2-CG 4.14Å; L350-Q352 PolarHBondContact O-N 3.34Å; L350-S353 VanDerWaalsContact CA-O 3.32Å; L350-S353 WeakPolarHBondContact CA-O 3.48Å; L350-S353 WeakPolarHBondContact CD2-O 3.13Å
351	S	66.5	Low	71.4	Confident	38 Å²	38	67 Å²	67	27%	0.266	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.4	170.9	76.4	0	0	0	0	113	P347 F348 L349 K413	P347-S351 WeakPolarHBondContact O-CB 3.42Å; P347-S351 PolarHBondContact O-N 3.15Å; P347-S351 PolarHBondContact O-OG 2.96Å; F348-S351 WeakPolarHBondContact O-CB 3.49Å; F348-S351 PolarHBondContact O-N 2.78Å; F348-S351 PolarHBondContact O-OG 3.31Å; L349-S351 PolarHBondContact O-N 2.95Å; S351-K413 WeakPolarHBondContact O-CD 3.5Å
352	Q	74	Confident	73	Confident	7 Å²	7	57 Å²	57	3%	0.033	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-38.9	179.4	-59	-167.6	-4.2	0	0	112.5	L349 L350 K413 I445 D447 I451	L349-Q352 PolarHBondContact O-N 3.01Å; L350-Q352 PolarHBondContact O-N 3.34Å; Q352-K413 PolarHBondContact O-N 3.34Å; Q352-I445 PolarHBondContact NE2-O 3.33Å; Q352-D447 PolarHBondContact OE1-O 2.87Å; Q352-I451 HydrophobicContact CB-CG1 4.43Å
353	S	79.5	Confident	75	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-107	119.5	172.7	-68.4	0	0	0	0	110.6	L349 L350 S355 A411 I451 T454 Q455	L349-S353 PolarHBondContact O-N 3.09Å; L350-S353 VanDerWaalsContact CA-O 3.32Å; L350-S353 WeakPolarHBondContact CA-O 3.48Å; L350-S353 WeakPolarHBondContact CD2-O 3.13Å; S353-S355 PolarHBondContact O-N 2.98Å; S353-A411 CarbonylContact C-O 3.55Å; S353-A411 WeakPolarHBondContact CA-O 3.42Å; S353-I451 WeakPolarHBondContact OG-CA 3.41Å; S353-T454 WeakPolarHBondContact CB-OG1 3.35Å; S353-T454 PolarHBondContact OG-OG1 3.15Å; S353-Q455 VanDerWaalsContact CB-NE2 3.32Å; S353-Q455 PolarHBondContact OG-NE2 2.8Å
354	T	81	Confident	77.1	Confident	91 Å²	91	45 Å²	45	56%	0.558	23%	0.229	S	C	*	.	S	Bend	trans	-81.9	3.8	177.7	58.6	0	0	0	0	113	A411 K413	T354-A411 PolarHBondContact N-O 3.39Å; T354-A411 WeakPolarHBondContact OG1-CB 3.34Å; T354-K413 HydrophobicContact CG2-CB 4.18Å
355	S	85.6	Confident	79.3	Confident	30 Å²	30	35.3 Å²	35.3	21%	0.21	19%	0.188	C	C	.	.			trans	-151.1	152.1	-179.8	-174.1	0	0	0	0	111.5	S353 R357 Q455	S353-S355 PolarHBondContact O-N 2.98Å; S355-R357 WeakPolarHBondContact OG-CB 3.14Å; S355-R357 PolarHBondContact OG-N 3.01Å; S355-Q455 WeakPolarHBondContact O-CG 3.48Å
356	T	87.2	Confident	81.4	Confident	13 Å²	13	31 Å²	31	8%	0.08	17%	0.168	C	C	.	.			trans	-109.7	4.1	167.8	50	0	0	0	0	112.5	G327 R330 Y331	G327-T356 PolarHBondContact O-OG1 2.91Å; R330-T356 WeakPolarHBondContact CD-O 3.29Å; R330-T356 PolarHBondContact NE-O 3.17Å; Y331-T356 HydrophobicContact CD2-CG2 4.01Å
357	R	90.5	Very high	83.5	Confident	89 Å²	89	27.5 Å²	27.5	34%	0.336	15%	0.151	S	C	.	.	S	Bend	trans	-65.9	146.3	168.3	-60.2	-173.9	-170.2	-173	5.4	108.8	D320 S355	D320-R357 VanDerWaalsContact CG-NH1 3.28Å; D320-R357 IonicContact OD1-NH1 2.78Å; D320-R357 PolarHBondContact OD1-NH1 3.29Å; D320-R357 IonicContact OD2-CZ 3.46Å; D320-R357 IonicContact OD2-NH1 3.18Å; D320-R357 PolarHBondContact OD2-NH1 2.89Å; D320-R357 IonicContact OD2-NH2 3.07Å; S355-R357 WeakPolarHBondContact OG-CB 3.14Å; S355-R357 PolarHBondContact OG-N 3.01Å
358	L	92.1	Very high	85.4	Confident	25 Å²	25	24.1 Å²	24.1	13%	0.131	13%	0.127	C	C	.	.			trans	-65.8	143	172	-68.8	165.4	0	0	0	109.2	R330 F360 D361 Q455 I456	R330-L358 VanDerWaalsContact NH2-CD2 3.31Å; L358-F360 PolarHBondContact O-N 2.96Å; L358-D361 HydrophobicContact CB-CB 4.2Å; L358-D361 HydrophobicContact CD1-CB 4.48Å; L358-Q455 CarbonylContact C-O 3.37Å; L358-Q455 VanDerWaalsContact CA-O 3.25Å; L358-Q455 WeakPolarHBondContact CA-O 3.49Å; L358-I456 WeakPolarHBondContact CD2-O 3.5Å
359	Y	93.6	Very high	86.9	Confident	12 Å²	12	24.8 Å²	24.8	5%	0.047	13%	0.132	C	C	.	.	S	Bend	trans	-59.6	-29.9	177.8	83.2	-77.6	0	0	0	111.5	A402 F405 L406 Q455 I456 A507 D511	Y359-A402 HydrophobicContact CE2-CB 4.21Å; Y359-F405 HydrophobicContact CD2-CB 3.96Å; Y359-F405 HydrophobicContact CE2-CB 3.76Å; Y359-L406 HydrophobicContact CD2-CD2 3.68Å; Y359-L406 HydrophobicContact CD2-CG 4.05Å; Y359-L406 HydrophobicContact CE2-CD2 4.12Å; Y359-L406 HydrophobicContact CE2-CG 4.2Å; Y359-L406 HydrophobicContact CG-CD2 4Å; Y359-Q455 PolarHBondContact N-O 3.48Å; Y359-I456 HydrophobicContact CD1-CB 4.44Å; Y359-I456 HydrophobicContact CD1-CG1 3.86Å; Y359-I456 HydrophobicContact CE1-CG1 4.32Å; Y359-I456 HydrophobicContact CE1-CG2 4.3Å; Y359-A507 HydrophobicContact CE1-CB 3.96Å; Y359-A507 HydrophobicContact CE2-CB 4.15Å; Y359-A507 PolarHBondContact OH-O 2.65Å; Y359-D511 WeakPolarHBondContact CE1-OD2 3.27Å; Y359-D511 PolarHBondContact OH-OD2 2.98Å
360	F	93.2	Very high	88.5	Confident	21 Å²	21	27.2 Å²	27.2	9%	0.092	16%	0.158	C	C	.	.	S	Bend	trans	-141.1	127.3	173.5	-179.6	-108.8	0	0	0	110.1	R271 W272 L358 V362 F405 F512	R271-F360 PolarHBondContact NH1-O 3.16Å; R271-F360 VanDerWaalsContact NH1-O 3.1Å; R271-F360 PolarHBondContact NH2-O 3.42Å; W272-F360 HydrophobicContact CB-CE1 4.17Å; W272-F360 AromaticContact CD1-CD1 3.92Å; W272-F360 AromaticContact CD1-CE1 3.58Å; W272-F360 AromaticContact CD2-CE1 3.6Å; W272-F360 HydrophobicContact CD2-CE1 3.6Å; W272-F360 HydrophobicContact CD2-CZ 4.25Å; W272-F360 AromaticContact CE2-CE1 3.75Å; W272-F360 HydrophobicContact CE3-CE1 4.23Å; W272-F360 HydrophobicContact CE3-CZ 4.45Å; W272-F360 HydrophobicContact CG-CD1 4.18Å; W272-F360 AromaticContact CG-CE1 3.52Å; W272-F360 HydrophobicContact CG-CE1 3.52Å; W272-F360 HydrophobicContact CG-CZ 4.48Å; W272-F360 AromaticContact NE1-CE1 3.68Å; L358-F360 PolarHBondContact O-N 2.96Å; F360-V362 HydrophobicContact CZ-CG2 4.27Å; F360-F405 HydrophobicContact CB-CB 4.21Å; F360-F405 HydrophobicContact CD2-CB 4.34Å; F360-F405 AromaticContact CD2-CD1 3.41Å; F360-F405 HydrophobicContact CD2-CD1 3.41Å; F360-F405 VanDerWaalsContact CD2-CD1 3.41Å; F360-F405 AromaticContact CD2-CE1 3.78Å; F360-F405 HydrophobicContact CD2-CE1 3.78Å; F360-F405 AromaticContact CD2-CG 3.89Å; F360-F405 HydrophobicContact CD2-CG 3.89Å; F360-F405 AromaticContact CE2-CD1 3.69Å; F360-F405 HydrophobicContact CE2-CD1 3.69Å; F360-F405 AromaticContact CE2-CE1 3.51Å; F360-F405 HydrophobicContact CE2-CE1 3.51Å; F360-F405 HydrophobicContact CE2-CG 4.43Å; F360-F405 HydrophobicContact CE2-CZ 4.13Å; F360-F405 HydrophobicContact CG-CD1 4.26Å; F360-F405 HydrophobicContact CG-CG 4.29Å; F360-F405 HydrophobicContact CZ-CE1 4.28Å; F360-F405 HydrophobicContact CZ-CZ 4.5Å; F360-F512 HydrophobicContact CD1-CE2 4.43Å; F360-F512 AromaticContact CD1-CZ 3.91Å; F360-F512 HydrophobicContact CD1-CZ 3.91Å; F360-F512 HydrophobicContact CE1-CE1 4.23Å; F360-F512 AromaticContact CE1-CZ 3.72Å; F360-F512 HydrophobicContact CE1-CZ 3.72Å; F360-F512 HydrophobicContact CZ-CZ 4.19Å
361	D	90.9	Very high	90	Very high	35 Å²	35	30.2 Å²	30.2	19%	0.187	17%	0.165	C	C	.	.			trans	-154.9	156.3	173.9	-159.1	5.5	0	0	0	110.5	L358	L358-D361 HydrophobicContact CB-CB 4.2Å; L358-D361 HydrophobicContact CD1-CB 4.48Å
362	V	94.9	Very high	91.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.152	C	C	.	.			trans	-113.5	115.8	175.6	173.9	0	0	0	0	108.3	G152 F153 W272 F360 L364 Q365	G152-V362 VanDerWaalsContact O-CG1 3.31Å; G152-V362 WeakPolarHBondContact O-CG1 3.26Å; G152-V362 WeakPolarHBondContact O-CG2 3.32Å; F153-V362 HydrophobicContact CB-CG1 4.04Å; F153-V362 HydrophobicContact CD2-CG1 4.28Å; W272-V362 HydrophobicContact CB-CB 4.45Å; W272-V362 HydrophobicContact CB-CG2 4.14Å; W272-V362 HydrophobicContact CE3-CG2 4.17Å; F360-V362 HydrophobicContact CZ-CG2 4.27Å; V362-L364 WeakPolarHBondContact CG1-O 3.32Å; V362-L364 PolarHBondContact O-N 2.88Å; V362-Q365 HydrophobicContact CB-CG 3.62Å; V362-Q365 HydrophobicContact CG1-CB 4.43Å; V362-Q365 HydrophobicContact CG1-CG 3.51Å; V362-Q365 WeakPolarHBondContact O-CG 3.34Å; V362-Q365 PolarHBondContact O-NE2 2.86Å
363	P	95.6	Very high	92.4	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.013	15%	0.151	C	C	.	.	S	Bend	trans	-67.6	-33.6	-170.9	24.7	-34.5	0	0	0	113.3	T154 I322	T154-P363 HydrophobicContact CG2-CG 3.73Å; I322-P363 HydrophobicContact CB-CB 3.96Å; I322-P363 HydrophobicContact CD1-CB 4.12Å; I322-P363 HydrophobicContact CG2-CB 4.21Å
364	L	96.9	Very high	93.1	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-134.2	108.7	174.2	-65.9	175.9	0	0	0	109	A185 F188 L189 K283 L319 I322 V362	A185-L364 HydrophobicContact CB-CD1 4.01Å; F188-L364 HydrophobicContact CB-CB 3.93Å; L189-L364 HydrophobicContact CD1-CD1 4.4Å; K283-L364 HydrophobicContact CB-CD2 4.28Å; L319-L364 HydrophobicContact CD2-CD1 3.73Å; L319-L364 HydrophobicContact CD2-CG 4.29Å; I322-L364 HydrophobicContact CD1-CD1 4.28Å; I322-L364 HydrophobicContact CD1-CD2 3.64Å; I322-L364 HydrophobicContact CD1-CG 3.7Å; V362-L364 WeakPolarHBondContact CG1-O 3.32Å; V362-L364 PolarHBondContact O-N 2.88Å
365	Q	95.4	Very high	93.7	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.037	16%	0.157	C	C	.	.			trans	-100.4	167.1	-174.7	-62.8	172.2	31.8	0	0	110.7	R271 W272 D275 V362	R271-Q365 PolarHBondContact O-OE1 3.4Å; W272-Q365 VanDerWaalsContact CA-OE1 3.3Å; W272-Q365 VanDerWaalsContact O-CG 3.26Å; W272-Q365 WeakPolarHBondContact O-CG 3.3Å; W272-Q365 PolarHBondContact O-OE1 3.39Å; W272-Q365 VanDerWaalsContact O-OE1 3.13Å; D275-Q365 HydrophobicContact CB-CB 4.27Å; V362-Q365 HydrophobicContact CB-CG 3.62Å; V362-Q365 HydrophobicContact CG1-CB 4.43Å; V362-Q365 HydrophobicContact CG1-CG 3.51Å; V362-Q365 WeakPolarHBondContact O-CG 3.34Å; V362-Q365 PolarHBondContact O-NE2 2.86Å
366	P	98.4	Very high	94.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.			trans	-49.7	148.6	158.3	-26.5	34.8	0	0	0	112.1	F153 F188 N206 L209 I247 G273 L274 D275	F153-P366 HydrophobicContact CD1-CG 4.26Å; F153-P366 HydrophobicContact CD2-CG 4.2Å; F153-P366 HydrophobicContact CE1-CG 3.73Å; F153-P366 VanDerWaalsContact CE2-CD 3.46Å; F153-P366 HydrophobicContact CE2-CG 3.67Å; F153-P366 HydrophobicContact CG-CG 4.46Å; F153-P366 HydrophobicContact CZ-CG 3.4Å; F188-P366 HydrophobicContact CD1-CG 4.23Å; F188-P366 HydrophobicContact CE1-CB 4.41Å; F188-P366 HydrophobicContact CE1-CG 3.79Å; N206-P366 VanDerWaalsContact OD1-CA 3.3Å; N206-P366 WeakPolarHBondContact OD1-CA 3.31Å; L209-P366 HydrophobicContact CD1-CB 3.84Å; L209-P366 HydrophobicContact CD1-CG 4.16Å; I247-P366 HydrophobicContact CD1-CB 3.66Å; I247-P366 HydrophobicContact CD1-CG 3.92Å; G273-P366 WeakPolarHBondContact O-CD 3.41Å; G273-P366 WeakPolarHBondContact O-CG 3.36Å; L274-P366 CarbonylContact C-O 3.58Å; L274-P366 WeakPolarHBondContact CA-O 3.49Å; L274-P366 HydrophobicContact CD1-CB 3.96Å; D275-P366 PolarHBondContact N-O 3.47Å
367	V	97.7	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-125.3	151.9	-176.5	-54.8	0	0	0	0	111.7	R190 N206 D275 A280 D369	R190-V367 HydrophobicContact CB-CG1 4.32Å; R190-V367 HydrophobicContact CG-CG1 4.35Å; R190-V367 HydrophobicContact CG-CG2 4.42Å; N206-V367 PolarHBondContact ND2-O 2.7Å; N206-V367 PolarHBondContact OD1-N 3.12Å; D275-V367 HydrophobicContact CB-CG1 4.34Å; D275-V367 VanDerWaalsContact O-CA 3.3Å; D275-V367 WeakPolarHBondContact O-CA 3.25Å; A280-V367 HydrophobicContact CB-CB 4.48Å; A280-V367 HydrophobicContact CB-CG1 3.37Å; V367-D369 HydrophobicContact CG2-CB 4.12Å; V367-D369 PolarHBondContact O-N 2.83Å
368	I	96.7	Very high	94.5	Very high	29 Å²	29	31 Å²	31	15%	0.149	16%	0.162	C	C	.	.			trans	-70.8	96.1	165.5	-57.6	166.9	0	0	0	108.1	L274 D275 V373 H376	L274-I368 HydrophobicContact CD2-CD1 4.02Å; L274-I368 HydrophobicContact CD2-CG1 3.58Å; L274-I368 HydrophobicContact CG-CG1 3.98Å; D275-I368 PolarHBondContact O-N 3.26Å; I368-V373 HydrophobicContact CB-CG1 4.39Å; I368-V373 HydrophobicContact CG1-CG1 4.04Å; I368-V373 HydrophobicContact CG2-CG1 4.45Å; I368-H376 HydrophobicContact CD1-CB 4.15Å
369	D	93.2	Very high	94.6	Very high	40 Å²	40	35 Å²	35	21%	0.214	18%	0.18	C	C	.	.			trans	-96.4	-8.4	-172.3	64.3	1	0	0	0	114.4	N206 V367 Y371 L372 V373	N206-D369 PolarHBondContact ND2-OD2 3.03Å; V367-D369 HydrophobicContact CG2-CB 4.12Å; V367-D369 PolarHBondContact O-N 2.83Å; D369-Y371 PolarHBondContact O-N 3.35Å; D369-Y371 WeakPolarHBondContact OD1-CA 3.28Å; D369-Y371 PolarHBondContact OD1-N 3.22Å; D369-L372 PolarHBondContact OD1-N 2.97Å; D369-L372 PolarHBondContact OD2-N 3.45Å; D369-V373 PolarHBondContact N-O 2.85Å; D369-V373 PolarHBondContact OD1-N 3Å
370	G	92.8	Very high	94.6	Very high	54 Å²	54	34.7 Å²	34.7	56%	0.557	18%	0.179	S	C	*	.	S	Bend	trans	77.6	3	-174.9	0	0	0	0	0	114.2	V373	G370-V373 PolarHBondContact N-O 3.13Å
371	Y	94.2	Very high	94.6	Very high	138 Å²	138	34 Å²	34	54%	0.541	18%	0.176	S	C	.	.	S	Bend	trans	-124.7	-74.8	-177.8	179	-118	0	0	0	112.2	L210 I253 D369	L210-Y371 HydrophobicContact CD2-CD1 4.41Å; L210-Y371 HydrophobicContact CD2-CE1 4.07Å; I253-Y371 HydrophobicContact CD1-CD1 4.18Å; I253-Y371 HydrophobicContact CD1-CE1 3.68Å; I253-Y371 HydrophobicContact CD1-CE2 4.06Å; D369-Y371 PolarHBondContact O-N 3.35Å; D369-Y371 WeakPolarHBondContact OD1-CA 3.28Å; D369-Y371 PolarHBondContact OD1-N 3.22Å
372	L	95.7	Very high	94.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-74.1	-42	175.5	-174.6	74.5	0	0	0	110	N206 L209 L210 L213 I247 L248 S251 I253 D369 P374	N206-L372 HydrophobicContact CB-CD2 4.38Å; L209-L372 HydrophobicContact CB-CD2 3.27Å; L209-L372 HydrophobicContact CD1-CD2 3.73Å; L209-L372 HydrophobicContact CG-CD2 4.15Å; L210-L372 HydrophobicContact CD2-CB 4.49Å; L210-L372 HydrophobicContact CD2-CD1 4.39Å; L213-L372 HydrophobicContact CD2-CD1 3.87Å; I247-L372 HydrophobicContact CG2-CD2 4.49Å; L248-L372 HydrophobicContact CD2-CD1 4.45Å; S251-L372 WeakPolarHBondContact CB-O 3.19Å; S251-L372 PolarHBondContact OG-O 3.41Å; I253-L372 HydrophobicContact CD1-CD1 3.84Å; I253-L372 HydrophobicContact CG1-CD1 4Å; D369-L372 PolarHBondContact OD1-N 2.97Å; D369-L372 PolarHBondContact OD2-N 3.45Å; L372-P374 WeakPolarHBondContact O-CD 3.5Å
373	V	95.8	Very high	94.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.215	C	C	.	.	S	Bend	trans	-112.4	89.8	173.8	-172.3	0	0	0	0	107.6	I247 M250 L274 I368 D369 G370 K375	I247-V373 HydrophobicContact CG2-CG2 3.54Å; M250-V373 HydrophobicContact CE-CG1 4.21Å; L274-V373 HydrophobicContact CD1-CG1 4.2Å; L274-V373 HydrophobicContact CD1-CG2 4.32Å; L274-V373 HydrophobicContact CD2-CG1 4.18Å; I368-V373 HydrophobicContact CB-CG1 4.39Å; I368-V373 HydrophobicContact CG1-CG1 4.04Å; I368-V373 HydrophobicContact CG2-CG1 4.45Å; D369-V373 PolarHBondContact N-O 2.85Å; D369-V373 PolarHBondContact OD1-N 3Å; G370-V373 PolarHBondContact N-O 3.13Å; V373-K375 VanDerWaalsContact C-N 3.34Å; V373-K375 PolarHBondContact O-N 3.21Å
374	P	93.4	Very high	94.1	Very high	42 Å²	42	46.4 Å²	46.4	27%	0.273	24%	0.235	S	C	.	.			trans	-68.7	-31.2	-166.2	24.1	-33	0	0	0	113.7	L372 I380	L372-P374 WeakPolarHBondContact O-CD 3.5Å; P374-I380 HydrophobicContact CG-CD1 3.83Å; P374-I380 HydrophobicContact CG-CG1 4.44Å
375	K	94.2	Very high	93.6	Very high	95 Å²	95	52.2 Å²	52.2	41%	0.413	27%	0.266	S	S	.	.	S	Bend	trans	-154.4	174.2	-177.3	-60.5	-176.8	-174	173.6	0	109.7	V373 H379 I380 E383	V373-K375 VanDerWaalsContact C-N 3.34Å; V373-K375 PolarHBondContact O-N 3.21Å; K375-H379 HydrophobicContact CB-CB 4.22Å; K375-H379 HydrophobicContact CD-CB 4.27Å; K375-I380 HydrophobicContact CB-CD1 4.43Å; K375-I380 HydrophobicContact CB-CG1 4.12Å; K375-I380 WeakPolarHBondContact O-CD1 3.46Å; K375-E383 IonicContact NZ-OE1 2.81Å; K375-E383 PolarHBondContact NZ-OE1 3.2Å
376	H	94.5	Very high	93.3	Very high	74 Å²	74	56.8 Å²	56.8	34%	0.343	29%	0.286	S	S	.	.			trans	-54	139.5	167.8	-167.2	-93.6	0	0	0	110.9	I368 D378 H379 I380	I368-H376 HydrophobicContact CD1-CB 4.15Å; H376-D378 VanDerWaalsContact C-N 3.29Å; H376-D378 IonicContact CE1-OD2 3.48Å; H376-D378 PolarHBondContact CE1-OD2 3.48Å; H376-D378 PolarHBondContact ND1-N 3.45Å; H376-D378 IonicContact ND1-OD2 2.98Å; H376-D378 PolarHBondContact ND1-OD2 3.49Å; H376-D378 PolarHBondContact O-N 3.19Å; H376-H379 WeakPolarHBondContact O-CB 3.32Å; H376-H379 PolarHBondContact O-N 3.4Å; H376-I380 PolarHBondContact O-N 3.01Å
377	P	93.4	Very high	93.1	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.013	29%	0.288	C	S	.	.	H	α-helix	trans	-49.4	-43.8	-177.9	-28.9	32.4	0	0	0	114.8	M250 L268 Y269 L274 H379 I380 F381	M250-P377 HydrophobicContact CE-CB 4.32Å; M250-P377 HydrophobicContact CE-CG 4.11Å; M250-P377 HydrophobicContact SD-CB 3.91Å; M250-P377 HydrophobicContact SD-CG 4.36Å; L268-P377 HydrophobicContact CD1-CB 3.6Å; L268-P377 HydrophobicContact CD1-CG 3.52Å; L268-P377 HydrophobicContact CD2-CB 4.43Å; L268-P377 HydrophobicContact CD2-CG 4.21Å; L268-P377 HydrophobicContact CG-CG 4.35Å; Y269-P377 HydrophobicContact CE1-CB 4.03Å; L274-P377 HydrophobicContact CD2-CG 3.97Å; P377-H379 VanDerWaalsContact C-N 3.27Å; P377-H379 PolarHBondContact O-N 3.07Å; P377-I380 WeakPolarHBondContact O-CA 3.26Å; P377-I380 PolarHBondContact O-N 2.89Å; P377-F381 WeakPolarHBondContact O-CD2 3.31Å; P377-F381 PolarHBondContact O-N 2.86Å
378	D	92.3	Very high	92.8	Very high	69 Å²	69	58.8 Å²	58.8	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-36.3	179.7	-62	-26	0	0	0	112.9	Y269 H376 I380 N382	Y269-D378 WeakPolarHBondContact CE1-OD1 3.48Å; Y269-D378 PolarHBondContact OH-OD1 3.09Å; H376-D378 VanDerWaalsContact C-N 3.29Å; H376-D378 IonicContact CE1-OD2 3.48Å; H376-D378 PolarHBondContact CE1-OD2 3.48Å; H376-D378 PolarHBondContact ND1-N 3.45Å; H376-D378 IonicContact ND1-OD2 2.98Å; H376-D378 PolarHBondContact ND1-OD2 3.49Å; H376-D378 PolarHBondContact O-N 3.19Å; D378-I380 VanDerWaalsContact C-N 3.33Å; D378-N382 VanDerWaalsContact O-CG 3.27Å; D378-N382 PolarHBondContact O-N 3.21Å; D378-N382 PolarHBondContact O-ND2 3.03Å
379	H	94.2	Very high	92.3	Very high	110 Å²	110	62.4 Å²	62.4	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-69.4	-33.6	175.4	-65.4	-50	0	0	0	111.8	K375 H376 P377 N382 E383	K375-H379 HydrophobicContact CB-CB 4.22Å; K375-H379 HydrophobicContact CD-CB 4.27Å; H376-H379 WeakPolarHBondContact O-CB 3.32Å; H376-H379 PolarHBondContact O-N 3.4Å; P377-H379 VanDerWaalsContact C-N 3.27Å; P377-H379 PolarHBondContact O-N 3.07Å; H379-N382 PolarHBondContact O-N 3.01Å; H379-E383 PolarHBondContact O-N 2.83Å
380	I	92.8	Very high	92.3	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-72.9	-40.9	178.8	-59.8	168.1	0	0	0	110.6	M250 P374 K375 H376 P377 D378 N382 E383 L387	M250-I380 HydrophobicContact CE-CD1 3.52Å; M250-I380 HydrophobicContact CG-CB 4.09Å; M250-I380 HydrophobicContact CG-CD1 3.8Å; M250-I380 HydrophobicContact CG-CG2 3.6Å; M250-I380 HydrophobicContact SD-CB 3.94Å; M250-I380 HydrophobicContact SD-CD1 3.52Å; M250-I380 VanDerWaalsContact SD-CD1 3.52Å; M250-I380 HydrophobicContact SD-CG1 4.29Å; M250-I380 HydrophobicContact SD-CG2 4.13Å; P374-I380 HydrophobicContact CG-CD1 3.83Å; P374-I380 HydrophobicContact CG-CG1 4.44Å; K375-I380 HydrophobicContact CB-CD1 4.43Å; K375-I380 HydrophobicContact CB-CG1 4.12Å; K375-I380 WeakPolarHBondContact O-CD1 3.46Å; H376-I380 PolarHBondContact O-N 3.01Å; P377-I380 WeakPolarHBondContact O-CA 3.26Å; P377-I380 PolarHBondContact O-N 2.89Å; D378-I380 VanDerWaalsContact C-N 3.33Å; I380-N382 PolarHBondContact O-N 3.45Å; I380-E383 CarbonylContact O-C 3.53Å; I380-E383 WeakPolarHBondContact O-CA 3.46Å; I380-E383 PolarHBondContact O-N 2.71Å; I380-L387 HydrophobicContact CG2-CD2 3.78Å; I380-L387 HydrophobicContact CG2-CG 4.26Å
381	F	92.7	Very high	92.5	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-27.3	174.2	-81.2	-71.9	0	0	0	113.3	W249 Y269 P377 K384 L387 F519 Q522 V523 L526	W249-F381 HydrophobicContact CH2-CE1 4.14Å; W249-F381 AromaticContact CZ3-CE1 3.93Å; W249-F381 HydrophobicContact CZ3-CE1 3.93Å; W249-F381 AromaticContact CZ3-CZ 3.96Å; W249-F381 HydrophobicContact CZ3-CZ 3.96Å; Y269-F381 HydrophobicContact CE2-CE2 4.09Å; Y269-F381 WeakPolarHBondContact OH-CD2 3.38Å; P377-F381 WeakPolarHBondContact O-CD2 3.31Å; P377-F381 PolarHBondContact O-N 2.86Å; F381-K384 WeakPolarHBondContact O-CG 3.49Å; F381-L387 HydrophobicContact CD1-CD1 3.51Å; F381-L387 HydrophobicContact CE1-CD1 3.87Å; F381-L387 HydrophobicContact CG-CD1 4.19Å; F381-F519 HydrophobicContact CE2-CD2 4.31Å; F381-F519 HydrophobicContact CE2-CE2 4.11Å; F381-F519 HydrophobicContact CZ-CD2 4.15Å; F381-F519 AromaticContact CZ-CE2 3.78Å; F381-F519 HydrophobicContact CZ-CE2 3.78Å; F381-F519 HydrophobicContact CZ-CZ 4.38Å; F381-Q522 HydrophobicContact CD1-CB 3.82Å; F381-Q522 HydrophobicContact CD2-CB 4.08Å; F381-Q522 HydrophobicContact CD2-CG 4.31Å; F381-Q522 HydrophobicContact CE1-CB 3.63Å; F381-Q522 HydrophobicContact CE2-CB 3.9Å; F381-Q522 HydrophobicContact CE2-CG 4.33Å; F381-Q522 HydrophobicContact CG-CB 4.05Å; F381-Q522 HydrophobicContact CZ-CB 3.67Å; F381-V523 HydrophobicContact CE1-CG2 4.07Å; F381-V523 HydrophobicContact CZ-CG2 4.11Å; F381-L526 HydrophobicContact CE1-CD1 4.47Å
382	N	91.7	Very high	92.6	Very high	132 Å²	132	55.8 Å²	55.8	71%	0.706	27%	0.272	S	S	*	.	H	α-helix	trans	-70.7	-29.3	170.2	-72.1	-35.6	0	0	0	112.9	D378 H379 I380 K384	D378-N382 VanDerWaalsContact O-CG 3.27Å; D378-N382 PolarHBondContact O-N 3.21Å; D378-N382 PolarHBondContact O-ND2 3.03Å; H379-N382 PolarHBondContact O-N 3.01Å; I380-N382 PolarHBondContact O-N 3.45Å; N382-K384 VanDerWaalsContact C-N 3.34Å; N382-K384 PolarHBondContact O-N 3.29Å
383	E	91.6	Very high	92.8	Very high	64 Å²	64	55.8 Å²	55.8	30%	0.299	27%	0.272	S	S	.	.			trans	-90	59.2	174.9	-65.2	-178.2	-155.6	0	0	111.3	K375 H379 I380 N385 K386	K375-E383 IonicContact NZ-OE1 2.81Å; K375-E383 PolarHBondContact NZ-OE1 3.2Å; H379-E383 PolarHBondContact O-N 2.83Å; I380-E383 CarbonylContact O-C 3.53Å; I380-E383 WeakPolarHBondContact O-CA 3.46Å; I380-E383 PolarHBondContact O-N 2.71Å; E383-N385 PolarHBondContact O-N 3.38Å; E383-N385 PolarHBondContact O-OD1 3.18Å; E383-K386 HydrophobicContact CB-CB 4.42Å; E383-K386 HydrophobicContact CB-CG 3.89Å; E383-K386 WeakPolarHBondContact O-CB 3.26Å; E383-K386 PolarHBondContact O-N 2.97Å
384	K	87.7	Confident	92.9	Very high	102 Å²	102	55.7 Å²	55.7	44%	0.443	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-50.6	-28	-172.7	-63.3	-169.9	179.9	-168.4	0	115.3	F381 N382 K386 L387 Q389 R525 L526	F381-K384 WeakPolarHBondContact O-CG 3.49Å; N382-K384 VanDerWaalsContact C-N 3.34Å; N382-K384 PolarHBondContact O-N 3.29Å; K384-K386 PolarHBondContact O-N 2.91Å; K384-L387 PolarHBondContact O-N 3.38Å; K384-Q389 PolarHBondContact O-NE2 3.43Å; K384-R525 PolarHBondContact NZ-O 3.48Å; K384-L526 HydrophobicContact CB-CD2 4.31Å; K384-L526 HydrophobicContact CD-CD2 3.98Å; K384-L526 HydrophobicContact CG-CD2 3.87Å
385	N	87.8	Confident	93.2	Very high	124 Å²	124	53.7 Å²	53.7	66%	0.663	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-68.9	-13.6	176.3	63.4	-32.4	0	0	0	114.1	E383	E383-N385 PolarHBondContact O-N 3.38Å; E383-N385 PolarHBondContact O-OD1 3.18Å
386	K	89.1	Confident	93.4	Very high	104 Å²	104	49.2 Å²	49.2	45%	0.452	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-89.6	-9.9	174.2	-58.9	-62.5	-173.9	178.1	0	113.3	Q255 E383 K384	Q255-K386 PolarHBondContact NE2-O 2.82Å; E383-K386 HydrophobicContact CB-CB 4.42Å; E383-K386 HydrophobicContact CB-CG 3.89Å; E383-K386 WeakPolarHBondContact O-CB 3.26Å; E383-K386 PolarHBondContact O-N 2.97Å; K384-K386 PolarHBondContact O-N 2.91Å
387	L	92.9	Very high	93.6	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	22%	0.223	C	C	.	.	S	Bend	trans	-100.8	163.4	179.9	-64.1	177.6	0	0	0	111.4	W249 M250 I380 F381 K384 Q389 L526	W249-L387 HydrophobicContact CE3-CD2 4.44Å; W249-L387 HydrophobicContact CH2-CB 4.48Å; W249-L387 HydrophobicContact CH2-CD1 4.33Å; W249-L387 HydrophobicContact CH2-CD2 4.23Å; W249-L387 HydrophobicContact CZ3-CD1 4.3Å; W249-L387 HydrophobicContact CZ3-CD2 3.74Å; M250-L387 HydrophobicContact CG-CD2 4.19Å; I380-L387 HydrophobicContact CG2-CD2 3.78Å; I380-L387 HydrophobicContact CG2-CG 4.26Å; F381-L387 HydrophobicContact CD1-CD1 3.51Å; F381-L387 HydrophobicContact CE1-CD1 3.87Å; F381-L387 HydrophobicContact CG-CD1 4.19Å; K384-L387 PolarHBondContact O-N 3.38Å; L387-Q389 PolarHBondContact O-N 3.06Å; L387-Q389 PolarHBondContact O-NE2 3.28Å; L387-L526 HydrophobicContact CB-CD1 4.22Å; L387-L526 HydrophobicContact CD1-CD1 3.96Å; L387-L526 HydrophobicContact CD1-CD2 4.18Å
388	K	91.4	Very high	93.9	Very high	36 Å²	36	45.6 Å²	45.6	16%	0.157	22%	0.222	C	C	.	.			trans	-59	129.8	176.2	-69.9	-177.7	179.6	-74.8	0	110.4	Q255 F258 N390 P391	Q255-K388 HydrophobicContact CG-CG 4.21Å; Q255-K388 PolarHBondContact O-NZ 2.97Å; F258-K388 PolarHBondContact O-NZ 3.19Å; K388-N390 PolarHBondContact O-N 3.41Å; K388-P391 HydrophobicContact CB-CB 4.46Å; K388-P391 WeakPolarHBondContact O-CD 3.48Å
389	Q	87.1	Confident	94.1	Very high	104 Å²	104	44.3 Å²	44.3	49%	0.486	22%	0.217	S	C	.	.	S	Bend	trans	-75.9	-17.6	-176.7	-66.1	-61	-52.9	0	0	115.1	K384 L387 P527	K384-Q389 PolarHBondContact O-NE2 3.43Å; L387-Q389 PolarHBondContact O-N 3.06Å; L387-Q389 PolarHBondContact O-NE2 3.28Å; Q389-P527 VanDerWaalsContact O-O 3.09Å
390	N	92.6	Very high	94.3	Very high	81 Å²	81	39.8 Å²	39.8	43%	0.433	20%	0.197	S	C	.	.	S	Bend	trans	-137.1	69	177.5	-60.6	-75.3	0	0	0	108.2	K388 E392 N528	K388-N390 PolarHBondContact O-N 3.41Å; N390-E392 PolarHBondContact O-N 3.34Å; N390-N528 WeakPolarHBondContact OD1-CB 3.4Å; N390-N528 PolarHBondContact OD1-ND2 2.98Å
391	P	96.3	Very high	94.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.			trans	-72.9	131.4	-171.7	29.9	-31.8	0	0	0	110.5	W249 K388 V523 L526 A529 K530	W249-P391 HydrophobicContact CZ2-CB 3.65Å; W249-P391 HydrophobicContact CZ2-CG 4.5Å; K388-P391 HydrophobicContact CB-CB 4.46Å; K388-P391 WeakPolarHBondContact O-CD 3.48Å; P391-V523 HydrophobicContact CB-CG1 4.03Å; P391-V523 HydrophobicContact CG-CG1 4.11Å; P391-L526 HydrophobicContact CG-CB 4.09Å; P391-L526 HydrophobicContact CG-CD1 4.16Å; P391-A529 HydrophobicContact CG-CB 3.68Å; P391-K530 PolarHBondContact O-N 3.27Å
392	E	98.3	Very high	94.8	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.2	175.9	-62.5	174.7	117.8	0	0	106.8	R259 R260 A261 N390 K530 F594	R259-E392 IonicContact CZ-OE2 2.78Å; R259-E392 IonicContact NE-OE2 3.41Å; R259-E392 PolarHBondContact NE-OE2 3Å; R259-E392 IonicContact NH2-OE2 3.66Å; R259-E392 PolarHBondContact NH2-OE2 3.26Å; R260-E392 HydrophobicContact CB-CB 4.42Å; R260-E392 HydrophobicContact CG-CB 3.97Å; R260-E392 IonicContact CZ-OE2 2.66Å; R260-E392 IonicContact NE-OE1 3.07Å; R260-E392 IonicContact NE-OE2 2.74Å; R260-E392 PolarHBondContact NE-OE2 3.28Å; R260-E392 VanDerWaalsContact NE-OE2 3.15Å; A261-E392 PolarHBondContact N-O 3.15Å; N390-E392 PolarHBondContact O-N 3.34Å; E392-K530 WeakPolarHBondContact CA-O 3.05Å; E392-K530 HydrophobicContact CG-CD 4.47Å; E392-F594 HydrophobicContact CB-CE2 4.34Å; E392-F594 HydrophobicContact CB-CZ 4.22Å
393	L	98.7	Very high	95.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.8	-172	-178.4	67.8	0	0	0	110.8	A261 L263 I395 F519 V523 K530 V531 F532	A261-L393 HydrophobicContact CB-CD1 4.09Å; A261-L393 WeakPolarHBondContact O-CA 3.05Å; L263-L393 HydrophobicContact CD1-CD1 3.44Å; L263-L393 VanDerWaalsContact CD1-CD1 3.44Å; L393-I395 HydrophobicContact CD2-CB 4.37Å; L393-I395 HydrophobicContact CD2-CD1 4.41Å; L393-I395 HydrophobicContact CD2-CG2 4.2Å; L393-I395 HydrophobicContact CG-CB 4.24Å; L393-I395 HydrophobicContact CG-CG2 4.32Å; L393-F519 HydrophobicContact CD2-CD1 4.21Å; L393-F519 HydrophobicContact CD2-CE1 4.13Å; L393-V523 HydrophobicContact CB-CG1 4.36Å; L393-V523 HydrophobicContact CD2-CB 3.94Å; L393-V523 HydrophobicContact CD2-CG1 3.92Å; L393-V523 HydrophobicContact CD2-CG2 3.99Å; L393-K530 PolarHBondContact N-O 2.97Å; L393-V531 HydrophobicContact CB-CG2 4.33Å; L393-V531 HydrophobicContact CD2-CG1 4.15Å; L393-V531 HydrophobicContact CD2-CG2 4.39Å; L393-V531 CarbonylContact O-C 3.55Å; L393-V531 WeakPolarHBondContact O-CA 3.33Å; L393-F532 PolarHBondContact O-N 2.76Å
394	L	98.8	Very high	95.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.2	162.7	172.2	62.3	0	0	0	107.7	A261 I262 L263 F532 Y534 W591 F594 W613	A261-L394 PolarHBondContact O-N 2.99Å; A261-L394 VanDerWaalsContact O-N 3.09Å; I262-L394 CarbonylContact C-O 3.59Å; I262-L394 WeakPolarHBondContact CA-O 3.28Å; I262-L394 HydrophobicContact CB-CB 4.42Å; I262-L394 HydrophobicContact CD1-CD2 4.2Å; I262-L394 HydrophobicContact CG1-CB 4.11Å; I262-L394 HydrophobicContact CG1-CD2 4.34Å; I262-L394 HydrophobicContact CG2-CB 4.11Å; I262-L394 HydrophobicContact CG2-CD2 3.94Å; I262-L394 HydrophobicContact CG2-CG 3.95Å; L263-L394 PolarHBondContact N-O 2.86Å; L394-F532 WeakPolarHBondContact CA-O 3.23Å; L394-F532 HydrophobicContact CD1-CB 3.84Å; L394-F532 WeakPolarHBondContact CD1-O 3.47Å; L394-Y534 HydrophobicContact CD1-CD1 4.08Å; L394-W591 HydrophobicContact CD2-CD2 4.02Å; L394-W591 HydrophobicContact CD2-CE3 4.39Å; L394-W591 HydrophobicContact CD2-CG 4.34Å; L394-W591 HydrophobicContact CD2-CZ2 4.44Å; L394-F594 HydrophobicContact CB-CD1 4Å; L394-F594 HydrophobicContact CB-CD2 4.3Å; L394-F594 HydrophobicContact CB-CE1 3.91Å; L394-F594 HydrophobicContact CB-CE2 4.21Å; L394-F594 HydrophobicContact CB-CG 4.18Å; L394-F594 HydrophobicContact CB-CZ 4.01Å; L394-F594 HydrophobicContact CD2-CD1 4.49Å; L394-F594 HydrophobicContact CD2-CG 4.48Å; L394-W613 HydrophobicContact CD1-CH2 3.52Å; L394-W613 HydrophobicContact CD1-CZ2 3.36Å; L394-W613 HydrophobicContact CD1-CZ3 4.39Å
395	I	98.8	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.8	-174	-172.9	162.3	0	0	0	110.3	L263 L393 T516 F519 A520 V531 F532 L533 Y534	L263-I395 HydrophobicContact CB-CB 4.4Å; L263-I395 HydrophobicContact CB-CD1 4.02Å; L263-I395 HydrophobicContact CB-CG1 3.9Å; L263-I395 HydrophobicContact CD2-CD1 3.98Å; L263-I395 VanDerWaalsContact O-CA 3.27Å; L263-I395 WeakPolarHBondContact O-CA 3.4Å; L393-I395 HydrophobicContact CD2-CB 4.37Å; L393-I395 HydrophobicContact CD2-CD1 4.41Å; L393-I395 HydrophobicContact CD2-CG2 4.2Å; L393-I395 HydrophobicContact CG-CB 4.24Å; L393-I395 HydrophobicContact CG-CG2 4.32Å; I395-T516 HydrophobicContact CD1-CG2 3.67Å; I395-T516 VanDerWaalsContact CD1-O 3.32Å; I395-T516 WeakPolarHBondContact CD1-O 3.36Å; I395-T516 HydrophobicContact CG1-CG2 3.51Å; I395-F519 HydrophobicContact CD1-CB 4.45Å; I395-F519 HydrophobicContact CD1-CD1 4.02Å; I395-A520 HydrophobicContact CD1-CB 4.21Å; I395-A520 HydrophobicContact CG2-CB 3.72Å; I395-V531 HydrophobicContact CG2-CG1 3.91Å; I395-F532 PolarHBondContact N-O 3.48Å; I395-L533 HydrophobicContact CG2-CD1 4.14Å; I395-L533 CarbonylContact O-C 3.59Å; I395-L533 VanDerWaalsContact O-CA 3.24Å; I395-L533 WeakPolarHBondContact O-CA 3.45Å; I395-Y534 WeakPolarHBondContact O-CD1 3.46Å; I395-Y534 PolarHBondContact O-N 3.43Å
396	G	98.7	Very high	96.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-179.7	176.4	0	0	0	0	0	114.1	L263 S265 Y534	L263-G396 PolarHBondContact O-N 2.87Å; S265-G396 PolarHBondContact N-O 3.45Å; G396-Y534 VanDerWaalsContact CA-CE1 3.42Å; G396-Y534 VanDerWaalsContact CA-CZ 3.49Å; G396-Y534 WeakPolarHBondContact CA-O 3.18Å
397	V	98.7	Very high	96.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.5	-170.3	-63.9	0	0	0	0	110.4	E401 A513 T516 Y534 H535 F536 L642	V397-E401 WeakPolarHBondContact CA-OE1 3.26Å; V397-E401 VanDerWaalsContact CB-OE1 3.22Å; V397-E401 WeakPolarHBondContact CB-OE1 3.48Å; V397-A513 HydrophobicContact CB-CB 4.43Å; V397-A513 HydrophobicContact CG1-CB 4.1Å; V397-A513 HydrophobicContact CG2-CB 4.47Å; V397-T516 HydrophobicContact CG1-CG2 3.84Å; V397-Y534 PolarHBondContact N-O 2.91Å; V397-H535 CarbonylContact O-C 3.52Å; V397-H535 WeakPolarHBondContact O-CA 3.39Å; V397-F536 PolarHBondContact O-N 3.45Å; V397-L642 HydrophobicContact CG2-CD2 3.81Å
398	N	98.6	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	163.7	173.4	-65.1	-2.4	0	0	0	110.9	E401 F536 V551 M552 G554 E556	N398-E401 PolarHBondContact N-OE1 2.77Å; N398-F536 WeakPolarHBondContact OD1-CB 3.48Å; N398-V551 HydrophobicContact CB-CG1 4.38Å; N398-M552 PolarHBondContact ND2-O 3.07Å; N398-G554 PolarHBondContact ND2-N 3.37Å; N398-E556 PolarHBondContact ND2-OE2 3.19Å; N398-E556 PolarHBondContact OD1-OE2 2.91Å
399	T	98	Very high	96.4	Very high	42 Å²	42	22.1 Å²	22.1	26%	0.258	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-33.2	-179.6	-55.1	0	0	0	0	113.9	H535 F536 N537	T399-H535 WeakPolarHBondContact CA-NE2 3.25Å; T399-H535 PolarHBondContact OG1-CE1 2.91Å; T399-H535 PolarHBondContact OG1-NE2 2.06Å; T399-F536 PolarHBondContact N-O 3.21Å; T399-F536 VanDerWaalsContact N-O 3.14Å; T399-F536 PolarHBondContact OG1-O 2.87Å; T399-F536 VanDerWaalsContact OG1-O 3.09Å; T399-N537 WeakPolarHBondContact OG1-CB 3.46Å; T399-N537 PolarHBondContact OG1-OD1 3.44Å
400	N	98.2	Very high	96.7	Very high	16 Å²	16	17.6 Å²	17.6	9%	0.086	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-128.1	66.3	-175.3	-59.9	102.3	0	0	0	112	A402 M403 D504 G550 V551 M552	N400-A402 VanDerWaalsContact C-N 3.35Å; N400-A402 PolarHBondContact O-N 2.73Å; N400-M403 HydrophobicContact CB-CB 4.15Å; N400-D504 VanDerWaalsContact C-OD1 3.28Å; N400-D504 VanDerWaalsContact CA-OD2 3.31Å; N400-D504 WeakPolarHBondContact CA-OD2 3.34Å; N400-D504 WeakPolarHBondContact CB-OD2 3.42Å; N400-D504 PolarHBondContact ND2-OD2 3.13Å; N400-G550 WeakPolarHBondContact OD1-CA 3.35Å; N400-V551 WeakPolarHBondContact CA-O 3.46Å; N400-V551 WeakPolarHBondContact CB-O 3.5Å; N400-V551 PolarHBondContact N-O 3.29Å; N400-V551 PolarHBondContact OD1-N 3.19Å; N400-M552 WeakPolarHBondContact O-CA 3.32Å
401	E	98.3	Very high	96.6	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.023	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.4	-173.2	-66.4	-71.9	-162.6	0	0	114.5	S265 V397 N398 F512 H553	S265-E401 WeakPolarHBondContact CB-OE1 3.36Å; S265-E401 WeakPolarHBondContact CB-OE2 3.38Å; S265-E401 PolarHBondContact OG-OE1 3.21Å; S265-E401 PolarHBondContact OG-OE2 3.47Å; V397-E401 WeakPolarHBondContact CA-OE1 3.26Å; V397-E401 VanDerWaalsContact CB-OE1 3.22Å; V397-E401 WeakPolarHBondContact CB-OE1 3.48Å; N398-E401 PolarHBondContact N-OE1 2.77Å; E401-F512 HydrophobicContact CB-CB 3.73Å; E401-F512 HydrophobicContact CB-CD2 3.94Å; E401-F512 HydrophobicContact CB-CG 4Å; E401-F512 HydrophobicContact CG-CB 3.88Å; E401-H553 WeakPolarHBondContact O-CB 3.37Å; E401-H553 IonicContact OE2-CE1 3.93Å; E401-H553 IonicContact OE2-CG 3.63Å; E401-H553 IonicContact OE2-ND1 2.66Å; E401-H553 PolarHBondContact OE2-ND1 2.55Å
402	A	98	Very high	96.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-19.4	-173.9	0	0	0	0	0	113.4	Y359 N400 F404 F405 L406 D504 A507 G508	Y359-A402 HydrophobicContact CE2-CB 4.21Å; N400-A402 VanDerWaalsContact C-N 3.35Å; N400-A402 PolarHBondContact O-N 2.73Å; A402-F404 VanDerWaalsContact C-N 3.27Å; A402-F404 PolarHBondContact O-N 2.91Å; A402-F405 CarbonylContact O-C 3.35Å; A402-F405 PolarHBondContact O-N 3.01Å; A402-L406 HydrophobicContact CB-CD1 3.98Å; A402-L406 HydrophobicContact CB-CG 4.15Å; A402-L406 WeakPolarHBondContact O-CG 3.34Å; A402-L406 PolarHBondContact O-N 3.19Å; A402-D504 WeakPolarHBondContact CA-OD1 3.48Å; A402-D504 PolarHBondContact N-OD1 3.32Å; A402-A507 HydrophobicContact CB-CB 3.43Å; A402-A507 VanDerWaalsContact CB-CB 3.43Å; A402-G508 VanDerWaalsContact CB-N 3.31Å
403	M	97.4	Very high	95.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-52.8	-44.1	-172.5	-175.7	66.8	68.8	0	0	112.4	N400 F405 L406 L407 L500 D504 W548 T549 M552	N400-M403 HydrophobicContact CB-CB 4.15Å; M403-F405 PolarHBondContact O-N 2.8Å; M403-L406 PolarHBondContact O-N 2.67Å; M403-L407 WeakPolarHBondContact O-CG 3.44Å; M403-L407 PolarHBondContact O-N 2.48Å; M403-L407 HydrophobicContact SD-CD2 4.17Å; M403-L407 HydrophobicContact SD-CG 4.35Å; M403-L500 HydrophobicContact CE-CD2 3.99Å; M403-L500 HydrophobicContact CE-CG 3.83Å; M403-L500 HydrophobicContact SD-CD2 3.72Å; M403-L500 HydrophobicContact SD-CG 3.94Å; M403-D504 HydrophobicContact CE-CB 3.99Å; M403-D504 PolarHBondContact N-OD1 3.49Å; M403-W548 HydrophobicContact SD-CE3 4.31Å; M403-W548 HydrophobicContact SD-CZ3 3.94Å; M403-T549 HydrophobicContact CG-CG2 4.36Å; M403-M552 HydrophobicContact CB-CG 4.14Å; M403-M552 HydrophobicContact CG-CG 4.18Å; M403-M552 HydrophobicContact CG-SD 4.23Å
404	F	94.9	Very high	95.2	Very high	54 Å²	54	20.4 Å²	20.4	24%	0.237	12%	0.118	C	C	.	.	H	α-helix	trans	-57.1	-37.5	178.5	-176.2	-97.4	0	0	0	112.8	A402 P408 M552 H553 Y555	A402-F404 VanDerWaalsContact C-N 3.27Å; A402-F404 PolarHBondContact O-N 2.91Å; F404-P408 WeakPolarHBondContact O-CD 3.2Å; F404-M552 HydrophobicContact CB-CB 4.31Å; F404-M552 HydrophobicContact CB-SD 4.27Å; F404-M552 HydrophobicContact CD2-SD 4.37Å; F404-H553 HydrophobicContact CB-CB 4.44Å; F404-Y555 HydrophobicContact CD2-CE2 4.44Å
405	F	96.1	Very high	94.8	Very high	28 Å²	28	21.4 Å²	21.4	12%	0.123	12%	0.124	C	C	.	.	H	α-helix	trans	-89.2	-30.3	-177.9	-53.2	-74.8	0	0	0	112.9	Y359 F360 A402 M403 P408 G409 F512 H553	Y359-F405 HydrophobicContact CD2-CB 3.96Å; Y359-F405 HydrophobicContact CE2-CB 3.76Å; F360-F405 HydrophobicContact CB-CB 4.21Å; F360-F405 HydrophobicContact CD2-CB 4.34Å; F360-F405 AromaticContact CD2-CD1 3.41Å; F360-F405 HydrophobicContact CD2-CD1 3.41Å; F360-F405 VanDerWaalsContact CD2-CD1 3.41Å; F360-F405 AromaticContact CD2-CE1 3.78Å; F360-F405 HydrophobicContact CD2-CE1 3.78Å; F360-F405 AromaticContact CD2-CG 3.89Å; F360-F405 HydrophobicContact CD2-CG 3.89Å; F360-F405 AromaticContact CE2-CD1 3.69Å; F360-F405 HydrophobicContact CE2-CD1 3.69Å; F360-F405 AromaticContact CE2-CE1 3.51Å; F360-F405 HydrophobicContact CE2-CE1 3.51Å; F360-F405 HydrophobicContact CE2-CG 4.43Å; F360-F405 HydrophobicContact CE2-CZ 4.13Å; F360-F405 HydrophobicContact CG-CD1 4.26Å; F360-F405 HydrophobicContact CG-CG 4.29Å; F360-F405 HydrophobicContact CZ-CE1 4.28Å; F360-F405 HydrophobicContact CZ-CZ 4.5Å; A402-F405 CarbonylContact O-C 3.35Å; A402-F405 PolarHBondContact O-N 3.01Å; M403-F405 PolarHBondContact O-N 2.8Å; F405-P408 WeakPolarHBondContact O-CD 3.45Å; F405-G409 WeakPolarHBondContact O-CA 3.43Å; F405-G409 PolarHBondContact O-N 3.43Å; F405-F512 AromaticContact CD2-CE2 3.82Å; F405-F512 HydrophobicContact CD2-CE2 3.82Å; F405-F512 AromaticContact CD2-CZ 3.69Å; F405-F512 HydrophobicContact CD2-CZ 3.69Å; F405-F512 AromaticContact CE2-CE1 3.95Å; F405-F512 HydrophobicContact CE2-CE1 3.95Å; F405-F512 AromaticContact CE2-CE2 3.78Å; F405-F512 HydrophobicContact CE2-CE2 3.78Å; F405-F512 AromaticContact CE2-CZ 3.25Å; F405-F512 HydrophobicContact CE2-CZ 3.25Å; F405-F512 HydrophobicContact CZ-CE1 4.34Å; F405-F512 AromaticContact CZ-CZ 3.87Å; F405-F512 HydrophobicContact CZ-CZ 3.87Å; F405-H553 HydrophobicContact CE2-CB 3.83Å; F405-H553 AromaticContact CE2-CD2 3.59Å; F405-H553 AromaticContact CE2-CG 3.65Å; F405-H553 HydrophobicContact CZ-CB 4.39Å; F405-H553 AromaticContact CZ-CD2 3.44Å; F405-H553 VanDerWaalsContact CZ-CD2 3.44Å; F405-H553 WeakPolarHBondContact CZ-CD2 3.3Å; F405-H553 AromaticContact CZ-NE2 3.86Å
406	L	96.2	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-42.1	177.7	-77.1	172.1	0	0	0	111.4	Y359 A402 M403 G409 I410 L503 D504 A507	Y359-L406 HydrophobicContact CD2-CD2 3.68Å; Y359-L406 HydrophobicContact CD2-CG 4.05Å; Y359-L406 HydrophobicContact CE2-CD2 4.12Å; Y359-L406 HydrophobicContact CE2-CG 4.2Å; Y359-L406 HydrophobicContact CG-CD2 4Å; A402-L406 HydrophobicContact CB-CD1 3.98Å; A402-L406 HydrophobicContact CB-CG 4.15Å; A402-L406 WeakPolarHBondContact O-CG 3.34Å; A402-L406 PolarHBondContact O-N 3.19Å; M403-L406 PolarHBondContact O-N 2.67Å; L406-G409 PolarHBondContact O-N 2.88Å; L406-I410 HydrophobicContact CD2-CB 4.22Å; L406-I410 HydrophobicContact CD2-CD1 4.39Å; L406-I410 WeakPolarHBondContact O-CB 3.48Å; L406-I410 WeakPolarHBondContact O-CG2 3.3Å; L406-I410 PolarHBondContact O-N 2.85Å; L406-L503 HydrophobicContact CD1-CB 4.47Å; L406-L503 HydrophobicContact CD1-CD2 4.37Å; L406-L503 HydrophobicContact CD1-CG 4.07Å; L406-L503 HydrophobicContact CD2-CD2 4.14Å; L406-L503 HydrophobicContact CD2-CG 4.19Å; L406-D504 VanDerWaalsContact CD1-CA 3.5Å; L406-D504 HydrophobicContact CD1-CB 4.01Å; L406-A507 HydrophobicContact CD1-CB 4.3Å; L406-A507 HydrophobicContact CD2-CB 4.23Å; L406-A507 HydrophobicContact CG-CB 4.45Å
407	L	95.4	Very high	94.4	Very high	9 Å²	9	27 Å²	27	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-57.7	-45.9	-176.1	-62.1	176.7	0	0	0	114.4	M403 F417 L418 V424 L500 M545 W548 T549	M403-L407 WeakPolarHBondContact O-CG 3.44Å; M403-L407 PolarHBondContact O-N 2.48Å; M403-L407 HydrophobicContact SD-CD2 4.17Å; M403-L407 HydrophobicContact SD-CG 4.35Å; L407-F417 HydrophobicContact CB-CB 4.23Å; L407-F417 HydrophobicContact CD2-CB 3.75Å; L407-F417 HydrophobicContact CD2-CD1 3.63Å; L407-F417 HydrophobicContact CD2-CD2 4.22Å; L407-F417 HydrophobicContact CD2-CE1 4.28Å; L407-F417 HydrophobicContact CD2-CG 3.61Å; L407-L418 HydrophobicContact CB-CD1 4.29Å; L407-L418 HydrophobicContact CB-CD2 3.98Å; L407-L418 HydrophobicContact CB-CG 4.13Å; L407-L418 HydrophobicContact CD1-CD2 4.29Å; L407-V424 HydrophobicContact CD1-CG1 4.3Å; L407-L500 HydrophobicContact CD2-CD2 4.38Å; L407-M545 HydrophobicContact CD1-CE 4.24Å; L407-W548 HydrophobicContact CD1-CH2 4.36Å; L407-W548 HydrophobicContact CD1-CZ3 4.38Å; L407-W548 HydrophobicContact CD2-CH2 3.73Å; L407-W548 HydrophobicContact CD2-CZ3 3.75Å; L407-T549 HydrophobicContact CD1-CG2 4.12Å
408	P	92.8	Very high	94.3	Very high	88 Å²	88	28.4 Å²	28.4	57%	0.571	16%	0.158	S	C	*	.	H	α-helix	trans	-85.5	-27.2	171.9	31.6	-34.9	0	0	0	113.7	F404 F405 L418	F404-P408 WeakPolarHBondContact O-CD 3.2Å; F405-P408 WeakPolarHBondContact O-CD 3.45Å; P408-L418 HydrophobicContact CB-CD1 3.85Å; P408-L418 HydrophobicContact CG-CD1 4.37Å
409	G	92.5	Very high	94.2	Very high	24 Å²	24	31.5 Å²	31.5	25%	0.247	17%	0.171	C	C	.	.	H	α-helix	trans	-92.8	-29.2	-165.4	0	0	0	0	0	115.5	F405 L406 A411	F405-G409 WeakPolarHBondContact O-CA 3.43Å; F405-G409 PolarHBondContact O-N 3.43Å; L406-G409 PolarHBondContact O-N 2.88Å; G409-A411 PolarHBondContact O-N 3.5Å
410	I	93	Very high	93.9	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.046	19%	0.193	C	C	.	.			trans	-81.9	116.1	-178.4	-157.1	73.1	0	0	0	110.8	L406 I412 F417 I451 Q455 I456 L503	L406-I410 HydrophobicContact CD2-CB 4.22Å; L406-I410 HydrophobicContact CD2-CD1 4.39Å; L406-I410 WeakPolarHBondContact O-CB 3.48Å; L406-I410 WeakPolarHBondContact O-CG2 3.3Å; L406-I410 PolarHBondContact O-N 2.85Å; I410-I412 HydrophobicContact CG1-CD1 4.15Å; I410-I412 HydrophobicContact CG1-CG1 3.94Å; I410-I412 HydrophobicContact CG2-CD1 4.39Å; I410-I412 HydrophobicContact CG2-CG1 4.49Å; I410-I412 PolarHBondContact O-N 3.34Å; I410-F417 HydrophobicContact CG2-CE2 3.88Å; I410-I451 HydrophobicContact CD1-CG2 4.16Å; I410-I451 HydrophobicContact CG1-CG2 4.36Å; I410-Q455 HydrophobicContact CD1-CB 3.81Å; I410-I456 HydrophobicContact CD1-CG1 4.45Å; I410-L503 HydrophobicContact CG1-CD2 4.42Å
411	A	90.8	Very high	93.7	Very high	21 Å²	21	38.9 Å²	38.9	17%	0.174	22%	0.217	C	C	.	.			trans	-99	75.5	-177.1	0	0	0	0	0	110.5	S353 T354 G409 Q455	S353-A411 CarbonylContact C-O 3.55Å; S353-A411 WeakPolarHBondContact CA-O 3.42Å; T354-A411 PolarHBondContact N-O 3.39Å; T354-A411 WeakPolarHBondContact OG1-CB 3.34Å; G409-A411 PolarHBondContact O-N 3.5Å; A411-Q455 VanDerWaalsContact CB-OE1 3.27Å; A411-Q455 PolarHBondContact O-NE2 2.9Å
412	I	90.4	Very high	93.5	Very high	4 Å²	4	39 Å²	39	2%	0.021	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-89.3	136.7	173	-56.7	173.6	0	0	0	108.2	I410 D414 T415 M430 F439 I451	I410-I412 HydrophobicContact CG1-CD1 4.15Å; I410-I412 HydrophobicContact CG1-CG1 3.94Å; I410-I412 HydrophobicContact CG2-CD1 4.39Å; I410-I412 HydrophobicContact CG2-CG1 4.49Å; I410-I412 PolarHBondContact O-N 3.34Å; I412-D414 PolarHBondContact O-N 3.4Å; I412-T415 HydrophobicContact CB-CG2 4.25Å; I412-T415 WeakPolarHBondContact CG2-OG1 3.42Å; I412-T415 VanDerWaalsContact O-CB 3.25Å; I412-T415 WeakPolarHBondContact O-CB 3.33Å; I412-T415 PolarHBondContact O-N 3.43Å; I412-T415 VanDerWaalsContact O-N 3.12Å; I412-M430 HydrophobicContact CD1-SD 4.12Å; I412-F439 HydrophobicContact CG2-CE2 3.66Å; I412-F439 HydrophobicContact CG2-CZ 3.85Å; I412-I451 HydrophobicContact CD1-CD1 4.32Å; I412-I451 HydrophobicContact CD1-CG2 4.28Å; I412-I451 HydrophobicContact CG1-CD1 4.26Å; I412-I451 HydrophobicContact CG1-CG2 3.98Å; I412-I451 HydrophobicContact CG2-CD1 4.27Å
413	K	86.2	Confident	93.4	Very high	39 Å²	39	40.9 Å²	40.9	17%	0.17	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	137.2	179.9	-177.3	-179.3	169	-162.5	0	111.8	S351 Q352 T354 T415 E443	S351-K413 WeakPolarHBondContact O-CD 3.5Å; Q352-K413 PolarHBondContact O-N 3.34Å; T354-K413 HydrophobicContact CG2-CB 4.18Å; K413-T415 PolarHBondContact O-N 3.12Å; K413-T415 PolarHBondContact O-OG1 3.2Å; K413-E443 IonicContact NZ-OE1 2.56Å; K413-E443 PolarHBondContact NZ-OE1 2.91Å; K413-E443 IonicContact NZ-OE2 2.8Å; K413-E443 PolarHBondContact NZ-OE2 2.76Å
414	D	86.7	Confident	93.3	Very high	89 Å²	89	41.6 Å²	41.6	48%	0.476	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	21.6	179.6	-60.1	-58.4	0	0	0	114.1	I412 T429 K440	I412-D414 PolarHBondContact O-N 3.4Å; D414-T429 HydrophobicContact CB-CG2 4.27Å; D414-T429 WeakPolarHBondContact O-CG2 3.45Å; D414-K440 IonicContact OD1-NZ 2.73Å; D414-K440 PolarHBondContact OD1-NZ 3.23Å; D414-K440 VanDerWaalsContact OD2-CE 3.31Å; D414-K440 WeakPolarHBondContact OD2-CE 3.45Å; D414-K440 IonicContact OD2-NZ 3.34Å; D414-K440 PolarHBondContact OD2-NZ 3.32Å
415	T	90.9	Very high	93.3	Very high	21 Å²	21	43.1 Å²	43.1	13%	0.129	25%	0.247	C	C	.	.			trans	-113.5	125.7	-177	-55.9	0	0	0	0	109.6	I412 K413 F417 P427 T429	I412-T415 HydrophobicContact CB-CG2 4.25Å; I412-T415 WeakPolarHBondContact CG2-OG1 3.42Å; I412-T415 VanDerWaalsContact O-CB 3.25Å; I412-T415 WeakPolarHBondContact O-CB 3.33Å; I412-T415 PolarHBondContact O-N 3.43Å; I412-T415 VanDerWaalsContact O-N 3.12Å; K413-T415 PolarHBondContact O-N 3.12Å; K413-T415 PolarHBondContact O-OG1 3.2Å; T415-F417 HydrophobicContact CG2-CD2 4.28Å; T415-F417 HydrophobicContact CG2-CE2 3.6Å; T415-F417 HydrophobicContact CG2-CZ 3.85Å; T415-P427 HydrophobicContact CG2-CB 3.92Å; T415-P427 HydrophobicContact CG2-CG 3.72Å; T415-T429 WeakPolarHBondContact OG1-CB 3.48Å; T415-T429 PolarHBondContact OG1-OG1 2.78Å
416	Q	93.5	Very high	93.3	Very high	113 Å²	113	43.4 Å²	43.4	53%	0.528	25%	0.249	S	C	.	.			trans	-142.6	117.7	175.7	178.8	173.8	10	0	0	109.7	L418 F419 P427	Q416-L418 WeakPolarHBondContact CG-O 3.3Å; Q416-L418 PolarHBondContact NE2-O 3.31Å; Q416-F419 HydrophobicContact CB-CZ 4.42Å; Q416-F419 HydrophobicContact CG-CE1 4.42Å; Q416-F419 HydrophobicContact CG-CE2 4.4Å; Q416-F419 HydrophobicContact CG-CZ 4.19Å; Q416-F419 WeakPolarHBondContact O-CE2 3.28Å; Q416-P427 WeakPolarHBondContact O-CG 3.4Å
417	F	96.3	Very high	93.2	Very high	5 Å²	5	44 Å²	44	2%	0.022	25%	0.253	C	S	.	.			trans	-87.8	-41.5	178.8	-62.6	-86.5	0	0	0	112.6	L407 I410 T415 V424 I425 M426 P427 M430 L500 W548	L407-F417 HydrophobicContact CB-CB 4.23Å; L407-F417 HydrophobicContact CD2-CB 3.75Å; L407-F417 HydrophobicContact CD2-CD1 3.63Å; L407-F417 HydrophobicContact CD2-CD2 4.22Å; L407-F417 HydrophobicContact CD2-CE1 4.28Å; L407-F417 HydrophobicContact CD2-CG 3.61Å; I410-F417 HydrophobicContact CG2-CE2 3.88Å; T415-F417 HydrophobicContact CG2-CD2 4.28Å; T415-F417 HydrophobicContact CG2-CE2 3.6Å; T415-F417 HydrophobicContact CG2-CZ 3.85Å; F417-V424 WeakPolarHBondContact O-CA 3.28Å; F417-I425 PolarHBondContact O-N 3.18Å; F417-M426 HydrophobicContact CE1-SD 4.32Å; F417-P427 HydrophobicContact CD1-CG 3.74Å; F417-P427 HydrophobicContact CE1-CG 3.77Å; F417-P427 HydrophobicContact CG-CG 4.12Å; F417-P427 HydrophobicContact CZ-CG 4.17Å; F417-M430 HydrophobicContact CE1-CG 4.08Å; F417-M430 HydrophobicContact CZ-CG 3.9Å; F417-M430 HydrophobicContact CZ-SD 4.1Å; F417-L500 HydrophobicContact CE1-CD1 4.25Å; F417-L500 HydrophobicContact CE1-CD2 4.02Å; F417-L500 HydrophobicContact CZ-CD1 4.07Å; F417-W548 HydrophobicContact CD1-CH2 4.38Å
418	L	95.9	Very high	93.1	Very high	28 Å²	28	47.3 Å²	47.3	15%	0.147	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-102.9	131.7	-171.3	-52.7	-177.4	0	0	0	111.4	F105 L407 P408 Q416 V424	F105-L418 HydrophobicContact CB-CB 4.37Å; F105-L418 HydrophobicContact CD1-CD1 3.97Å; F105-L418 HydrophobicContact CD1-CD2 4.37Å; F105-L418 HydrophobicContact CD2-CB 3.97Å; F105-L418 HydrophobicContact CD2-CD2 4.2Å; F105-L418 HydrophobicContact CE1-CD1 4.28Å; F105-L418 HydrophobicContact CE1-CD2 4.06Å; F105-L418 HydrophobicContact CE2-CB 4.47Å; F105-L418 HydrophobicContact CE2-CD2 3.88Å; F105-L418 HydrophobicContact CG-CB 4.05Å; F105-L418 HydrophobicContact CG-CD1 4.21Å; F105-L418 HydrophobicContact CG-CD2 4.45Å; F105-L418 HydrophobicContact CG-CG 4.48Å; F105-L418 HydrophobicContact CZ-CD2 3.81Å; L407-L418 HydrophobicContact CB-CD1 4.29Å; L407-L418 HydrophobicContact CB-CD2 3.98Å; L407-L418 HydrophobicContact CB-CG 4.13Å; L407-L418 HydrophobicContact CD1-CD2 4.29Å; P408-L418 HydrophobicContact CB-CD1 3.85Å; P408-L418 HydrophobicContact CG-CD1 4.37Å; Q416-L418 WeakPolarHBondContact CG-O 3.3Å; Q416-L418 PolarHBondContact NE2-O 3.31Å; L418-V424 HydrophobicContact CD2-CB 4.42Å; L418-V424 HydrophobicContact CD2-CG1 4.09Å; L418-V424 HydrophobicContact CD2-CG2 3.7Å
419	F	95.9	Very high	93.1	Very high	66 Å²	66	43.5 Å²	43.5	29%	0.289	25%	0.252	S	S	.	.			trans	-116.5	150.2	-179.7	-67.2	-95.6	0	0	0	111.6	Q416 N421 G422 S423 I425	Q416-F419 HydrophobicContact CB-CZ 4.42Å; Q416-F419 HydrophobicContact CG-CE1 4.42Å; Q416-F419 HydrophobicContact CG-CE2 4.4Å; Q416-F419 HydrophobicContact CG-CZ 4.19Å; Q416-F419 WeakPolarHBondContact O-CE2 3.28Å; F419-N421 WeakPolarHBondContact CB-OD1 3.41Å; F419-N421 PolarHBondContact O-N 2.93Å; F419-N421 VanDerWaalsContact O-N 3.09Å; F419-G422 PolarHBondContact O-N 2.73Å; F419-S423 PolarHBondContact N-O 3.29Å; F419-I425 HydrophobicContact CD2-CB 4.42Å; F419-I425 HydrophobicContact CD2-CD1 4.03Å; F419-I425 HydrophobicContact CD2-CG1 4.15Å; F419-I425 HydrophobicContact CE2-CB 3.87Å; F419-I425 HydrophobicContact CE2-CD1 3.87Å; F419-I425 HydrophobicContact CE2-CG1 4.02Å; F419-I425 HydrophobicContact CZ-CD1 4.38Å
420	S	92	Very high	93.1	Very high	101 Å²	101	42.4 Å²	42.4	71%	0.706	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.1	-175.6	55	0	0	0	0	114.6	G422	S420-G422 PolarHBondContact O-N 3.25Å
421	N	93.7	Very high	93	Very high	111 Å²	111	45.8 Å²	45.8	59%	0.594	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	4.8	172.8	67.9	-5	0	0	0	113.5	V108 F419 S423	V108-N421 WeakPolarHBondContact CG1-O 3.31Å; F419-N421 WeakPolarHBondContact CB-OD1 3.41Å; F419-N421 PolarHBondContact O-N 2.93Å; F419-N421 VanDerWaalsContact O-N 3.09Å; N421-S423 VanDerWaalsContact C-N 3.34Å; N421-S423 PolarHBondContact ND2-OG 2.93Å; N421-S423 WeakPolarHBondContact OD1-CB 3.45Å; N421-S423 PolarHBondContact OD1-N 2.94Å; N421-S423 PolarHBondContact OD1-OG 3.31Å
422	G	94.3	Very high	93.1	Very high	9 Å²	9	46.9 Å²	46.9	9%	0.093	26%	0.259	C	S	.	.	S	Bend	trans	82.8	2.6	-178.2	0	0	0	0	0	114.6	F105 N109 F419 S420	F105-G422 WeakPolarHBondContact CE2-O 3.46Å; N109-G422 PolarHBondContact ND2-O 2.6Å; F419-G422 PolarHBondContact O-N 2.73Å; S420-G422 PolarHBondContact O-N 3.25Å
423	S	95.5	Very high	93	Very high	38 Å²	38	46.7 Å²	46.7	27%	0.266	26%	0.258	S	S	.	.			trans	-78.8	147.4	175.7	65.2	0	0	0	0	112.2	F419 N421	F419-S423 PolarHBondContact N-O 3.29Å; N421-S423 VanDerWaalsContact C-N 3.34Å; N421-S423 PolarHBondContact ND2-OG 2.93Å; N421-S423 WeakPolarHBondContact OD1-CB 3.45Å; N421-S423 PolarHBondContact OD1-N 2.94Å; N421-S423 PolarHBondContact OD1-OG 3.31Å
424	V	96.6	Very high	93.1	Very high	17 Å²	17	44.9 Å²	44.9	10%	0.103	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-120.1	121	173.6	-176.2	0	0	0	0	108.1	F105 L407 F417 L418 M545 P546 W548	F105-V424 HydrophobicContact CE2-CG2 3.41Å; F105-V424 VanDerWaalsContact CE2-CG2 3.41Å; F105-V424 HydrophobicContact CZ-CG2 3.51Å; L407-V424 HydrophobicContact CD1-CG1 4.3Å; F417-V424 WeakPolarHBondContact O-CA 3.28Å; L418-V424 HydrophobicContact CD2-CB 4.42Å; L418-V424 HydrophobicContact CD2-CG1 4.09Å; L418-V424 HydrophobicContact CD2-CG2 3.7Å; V424-M545 HydrophobicContact CG2-CE 4.35Å; V424-M545 HydrophobicContact CG2-SD 3.66Å; V424-P546 HydrophobicContact CB-CG 3.9Å; V424-P546 HydrophobicContact CG1-CG 3.99Å; V424-P546 WeakPolarHBondContact O-CG 3.32Å; V424-W548 HydrophobicContact CG1-CH2 3.64Å; V424-W548 HydrophobicContact CG1-CZ2 3.8Å
425	I	95.6	Very high	93	Very high	86 Å²	86	44.4 Å²	44.4	44%	0.441	24%	0.244	S	C	.	.			trans	-126.4	138.3	-172.1	-56.9	177.6	0	0	0	109.1	F417 F419 P427	F417-I425 PolarHBondContact O-N 3.18Å; F419-I425 HydrophobicContact CD2-CB 4.42Å; F419-I425 HydrophobicContact CD2-CD1 4.03Å; F419-I425 HydrophobicContact CD2-CG1 4.15Å; F419-I425 HydrophobicContact CE2-CB 3.87Å; F419-I425 HydrophobicContact CE2-CD1 3.87Å; F419-I425 HydrophobicContact CE2-CG1 4.02Å; F419-I425 HydrophobicContact CZ-CD1 4.38Å; I425-P427 VanDerWaalsContact O-CD 3.22Å; I425-P427 WeakPolarHBondContact O-CD 3.21Å
426	M	95.5	Very high	92.6	Very high	33 Å²	33	47 Å²	47	16%	0.163	25%	0.253	C	S	.	.			trans	-71.8	116.3	169.4	-176.4	62	76	0	0	109.2	F417 M430 D496 E497 L500 W548	F417-M426 HydrophobicContact CE1-SD 4.32Å; M426-M430 HydrophobicContact SD-CB 3.95Å; M426-M430 HydrophobicContact SD-CG 4.14Å; M426-D496 HydrophobicContact CG-CB 4.07Å; M426-D496 VanDerWaalsContact CG-OD2 3.23Å; M426-D496 WeakPolarHBondContact CG-OD2 3.2Å; M426-D496 HydrophobicContact SD-CB 4.04Å; M426-E497 HydrophobicContact CE-CB 4.41Å; M426-E497 HydrophobicContact CE-CG 3.83Å; M426-L500 HydrophobicContact CE-CD2 3.99Å; M426-L500 HydrophobicContact SD-CD2 4.49Å; M426-W548 HydrophobicContact CE-CD2 3.88Å; M426-W548 HydrophobicContact CE-CE3 4.23Å; M426-W548 HydrophobicContact CE-CG 4.13Å; M426-W548 HydrophobicContact CE-CZ2 4.44Å
427	P	94.4	Very high	92.2	Very high	13 Å²	13	46.8 Å²	46.8	8%	0.084	25%	0.251	C	S	.	.			trans	-72.4	141	-176.9	-20.7	36.6	0	0	0	111.2	T415 Q416 F417 I425 T429 M430	T415-P427 HydrophobicContact CG2-CB 3.92Å; T415-P427 HydrophobicContact CG2-CG 3.72Å; Q416-P427 WeakPolarHBondContact O-CG 3.4Å; F417-P427 HydrophobicContact CD1-CG 3.74Å; F417-P427 HydrophobicContact CE1-CG 3.77Å; F417-P427 HydrophobicContact CG-CG 4.12Å; F417-P427 HydrophobicContact CZ-CG 4.17Å; I425-P427 VanDerWaalsContact O-CD 3.22Å; I425-P427 WeakPolarHBondContact O-CD 3.21Å; P427-T429 WeakPolarHBondContact CB-OG1 3.42Å; P427-T429 PolarHBondContact O-N 3.19Å; P427-T429 VanDerWaalsContact O-N 3.07Å; P427-M430 WeakPolarHBondContact O-CB 3.37Å; P427-M430 PolarHBondContact O-N 3.18Å
428	S	93.4	Very high	91.6	Very high	79 Å²	79	48.6 Å²	48.6	55%	0.552	26%	0.263	S	S	*	.	H	α-helix	trans	-60	-22.1	176.6	59.5	0	0	0	0	113.1	M430 E431 L432	S428-M430 VanDerWaalsContact C-N 3.3Å; S428-M430 PolarHBondContact O-N 2.9Å; S428-E431 WeakPolarHBondContact O-CB 3.33Å; S428-E431 PolarHBondContact O-N 2.9Å; S428-L432 VanDerWaalsContact O-CG 3.32Å; S428-L432 WeakPolarHBondContact O-CG 3.38Å; S428-L432 PolarHBondContact O-N 3.45Å
429	T	92.2	Very high	91.1	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.043	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-36.3	173.2	49.8	0	0	0	0	112.2	D414 T415 P427 E431 L432 A433 F439	D414-T429 HydrophobicContact CB-CG2 4.27Å; D414-T429 WeakPolarHBondContact O-CG2 3.45Å; T415-T429 WeakPolarHBondContact OG1-CB 3.48Å; T415-T429 PolarHBondContact OG1-OG1 2.78Å; P427-T429 WeakPolarHBondContact CB-OG1 3.42Å; P427-T429 PolarHBondContact O-N 3.19Å; P427-T429 VanDerWaalsContact O-N 3.07Å; T429-E431 VanDerWaalsContact C-N 3.35Å; T429-L432 PolarHBondContact O-N 2.84Å; T429-A433 WeakPolarHBondContact O-CB 3.36Å; T429-A433 PolarHBondContact O-N 2.88Å; T429-F439 HydrophobicContact CG2-CB 4.24Å; T429-F439 HydrophobicContact CG2-CD1 4Å; T429-F439 HydrophobicContact CG2-CD2 4.26Å; T429-F439 HydrophobicContact CG2-CE1 4.4Å; T429-F439 HydrophobicContact CG2-CG 3.92Å; T429-F439 WeakPolarHBondContact O-CE1 3.17Å
430	M	93	Very high	90.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-39.8	175.6	-65.3	-56.3	-64.3	0	0	111.3	I412 F417 M426 P427 S428 A433 G434 F448 D496 L499 L500	I412-M430 HydrophobicContact CD1-SD 4.12Å; F417-M430 HydrophobicContact CE1-CG 4.08Å; F417-M430 HydrophobicContact CZ-CG 3.9Å; F417-M430 HydrophobicContact CZ-SD 4.1Å; M426-M430 HydrophobicContact SD-CB 3.95Å; M426-M430 HydrophobicContact SD-CG 4.14Å; P427-M430 WeakPolarHBondContact O-CB 3.37Å; P427-M430 PolarHBondContact O-N 3.18Å; S428-M430 VanDerWaalsContact C-N 3.3Å; S428-M430 PolarHBondContact O-N 2.9Å; M430-A433 PolarHBondContact O-N 3.01Å; M430-G434 PolarHBondContact O-N 3.01Å; M430-F448 HydrophobicContact CE-CZ 4.19Å; M430-D496 HydrophobicContact CB-CB 3.84Å; M430-L499 HydrophobicContact CE-CB 4.42Å; M430-L499 HydrophobicContact CE-CD2 3.76Å; M430-L499 HydrophobicContact CE-CG 3.72Å; M430-L500 HydrophobicContact CE-CB 4.34Å; M430-L500 HydrophobicContact CE-CD1 4.26Å
431	E	91.3	Very high	90	Very high	80 Å²	80	54.7 Å²	54.7	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-44.6	174	-170.1	-169.8	173.3	0	0	111.4	S428 T429 G434 K435 D496	S428-E431 WeakPolarHBondContact O-CB 3.33Å; S428-E431 PolarHBondContact O-N 2.9Å; T429-E431 VanDerWaalsContact C-N 3.35Å; E431-G434 PolarHBondContact O-N 2.88Å; E431-K435 HydrophobicContact CG-CD 4.25Å; E431-K435 WeakPolarHBondContact O-CB 3.3Å; E431-K435 WeakPolarHBondContact O-CG 3.34Å; E431-K435 PolarHBondContact O-N 2.87Å; E431-K435 WeakPolarHBondContact OE1-CE 3.32Å; E431-K435 IonicContact OE1-NZ 3.73Å; E431-K435 PolarHBondContact OE1-NZ 2.84Å; E431-D496 HydrophobicContact CB-CB 4.29Å
432	L	91.1	Very high	89.2	Confident	45 Å²	45	53.3 Å²	53.3	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-44	176.7	-69.8	171.3	0	0	0	111.8	S428 T429 K435 K436 K437 F439	S428-L432 VanDerWaalsContact O-CG 3.32Å; S428-L432 WeakPolarHBondContact O-CG 3.38Å; S428-L432 PolarHBondContact O-N 3.45Å; T429-L432 PolarHBondContact O-N 2.84Å; L432-K435 CarbonylContact O-C 3.59Å; L432-K435 PolarHBondContact O-N 3.45Å; L432-K436 PolarHBondContact O-N 3.49Å; L432-K437 CarbonylContact C-O 3.56Å; L432-K437 HydrophobicContact CB-CB 4.35Å; L432-K437 HydrophobicContact CD2-CB 3.85Å; L432-K437 HydrophobicContact CD2-CD 4.13Å; L432-K437 PolarHBondContact O-N 3.47Å; L432-F439 HydrophobicContact CB-CD1 4.22Å
433	A	89.2	Confident	88.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-48.2	175	0	0	0	0	0	111.8	T429 M430 K435 K436 F439 A446 F448 L499	T429-A433 WeakPolarHBondContact O-CB 3.36Å; T429-A433 PolarHBondContact O-N 2.88Å; M430-A433 PolarHBondContact O-N 3.01Å; A433-K435 VanDerWaalsContact C-N 3.26Å; A433-K435 PolarHBondContact O-N 3.13Å; A433-K436 PolarHBondContact O-N 2.97Å; A433-F439 HydrophobicContact CB-CE1 4.02Å; A433-A446 HydrophobicContact CB-CB 4.13Å; A433-F448 HydrophobicContact CB-CE2 3.83Å; A433-F448 HydrophobicContact CB-CZ 4.35Å; A433-L499 HydrophobicContact CB-CD2 3.74Å
434	G	87.5	Confident	87.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-35.7	176.2	0	0	0	0	0	113.1	M430 E431 K436 Y493 I494	M430-G434 PolarHBondContact O-N 3.01Å; E431-G434 PolarHBondContact O-N 2.88Å; G434-K436 VanDerWaalsContact C-N 3.27Å; G434-K436 PolarHBondContact O-N 3.37Å; G434-Y493 WeakPolarHBondContact O-CA 3.5Å; G434-I494 CarbonylContact C-O 3.59Å; G434-I494 WeakPolarHBondContact CA-O 3.26Å; G434-I494 PolarHBondContact O-N 3.43Å
435	K	86.1	Confident	86.5	Confident	79 Å²	79	62 Å²	62	34%	0.343	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1.3	173.6	-70.1	178	-177.3	175.9	0	114.4	E431 L432 A433 K437 Y493	E431-K435 HydrophobicContact CG-CD 4.25Å; E431-K435 WeakPolarHBondContact O-CB 3.3Å; E431-K435 WeakPolarHBondContact O-CG 3.34Å; E431-K435 PolarHBondContact O-N 2.87Å; E431-K435 WeakPolarHBondContact OE1-CE 3.32Å; E431-K435 IonicContact OE1-NZ 3.73Å; E431-K435 PolarHBondContact OE1-NZ 2.84Å; L432-K435 CarbonylContact O-C 3.59Å; L432-K435 PolarHBondContact O-N 3.45Å; A433-K435 VanDerWaalsContact C-N 3.26Å; A433-K435 PolarHBondContact O-N 3.13Å; K435-K437 VanDerWaalsContact C-N 3.26Å; K435-K437 HydrophobicContact CB-CD 4.4Å; K435-K437 HydrophobicContact CB-CG 4.25Å; K435-K437 PolarHBondContact O-N 3Å; K435-Y493 HydrophobicContact CB-CD1 4.25Å; K435-Y493 WeakPolarHBondContact O-CD1 3.41Å; K435-Y493 VanDerWaalsContact O-CE1 3.24Å; K435-Y493 WeakPolarHBondContact O-CE1 3.38Å
436	K	81.1	Confident	85.9	Confident	75 Å²	75	58 Å²	58	33%	0.326	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	43.5	-174.5	-59.7	171.9	-179.9	154.8	0	112.2	L432 A433 G434 I445 V492	L432-K436 PolarHBondContact O-N 3.49Å; A433-K436 PolarHBondContact O-N 2.97Å; G434-K436 VanDerWaalsContact C-N 3.27Å; G434-K436 PolarHBondContact O-N 3.37Å; K436-I445 HydrophobicContact CB-CG2 4.3Å; K436-I445 WeakPolarHBondContact O-CD1 3.13Å; K436-I445 WeakPolarHBondContact O-CG1 3.34Å; K436-V492 PolarHBondContact NZ-O 2.85Å
437	K	86.2	Confident	85.4	Confident	109 Å²	109	56.5 Å²	56.5	47%	0.474	30%	0.297	S	S	.	.			trans	-110.7	147.6	173.9	-68.9	-174.8	178	-175	0	109.6	L432 K435	L432-K437 CarbonylContact C-O 3.56Å; L432-K437 HydrophobicContact CB-CB 4.35Å; L432-K437 HydrophobicContact CD2-CB 3.85Å; L432-K437 HydrophobicContact CD2-CD 4.13Å; L432-K437 PolarHBondContact O-N 3.47Å; K435-K437 VanDerWaalsContact C-N 3.26Å; K435-K437 HydrophobicContact CB-CD 4.4Å; K435-K437 HydrophobicContact CB-CG 4.25Å; K435-K437 PolarHBondContact O-N 3Å
438	P	84.3	Confident	85.1	Confident	43 Å²	43	55.9 Å²	55.9	28%	0.279	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-68.1	152.5	173.9	32.7	-36.9	0	0	0	110.6	K440 E443	P438-K440 WeakPolarHBondContact CB-O 3.3Å; P438-K440 PolarHBondContact O-N 3.38Å; P438-E443 HydrophobicContact CB-CB 4.28Å; P438-E443 WeakPolarHBondContact CB-O 3.44Å
439	F	84.3	Confident	84.8	Confident	26 Å²	26	53 Å²	53	11%	0.114	27%	0.271	C	S	.	.	S	Bend	trans	-66.3	-30.5	179.7	-61.5	-22.2	0	0	0	112.5	I412 T429 L432 A433 A446	I412-F439 HydrophobicContact CG2-CE2 3.66Å; I412-F439 HydrophobicContact CG2-CZ 3.85Å; T429-F439 HydrophobicContact CG2-CB 4.24Å; T429-F439 HydrophobicContact CG2-CD1 4Å; T429-F439 HydrophobicContact CG2-CD2 4.26Å; T429-F439 HydrophobicContact CG2-CE1 4.4Å; T429-F439 HydrophobicContact CG2-CG 3.92Å; T429-F439 WeakPolarHBondContact O-CE1 3.17Å; L432-F439 HydrophobicContact CB-CD1 4.22Å; A433-F439 HydrophobicContact CB-CE1 4.02Å; F439-A446 HydrophobicContact CE1-CB 3.79Å; F439-A446 HydrophobicContact CE2-CB 4.18Å; F439-A446 HydrophobicContact CZ-CB 3.46Å; F439-A446 VanDerWaalsContact CZ-CB 3.46Å
440	K	83.1	Confident	84.5	Confident	99 Å²	99	53.9 Å²	53.9	43%	0.43	27%	0.273	S	S	.	.	S	Bend	trans	-133.6	148.5	172.2	-70.6	169	176.9	152.5	0	109.3	D414 P438 G442 E443	D414-K440 IonicContact OD1-NZ 2.73Å; D414-K440 PolarHBondContact OD1-NZ 3.23Å; D414-K440 VanDerWaalsContact OD2-CE 3.31Å; D414-K440 WeakPolarHBondContact OD2-CE 3.45Å; D414-K440 IonicContact OD2-NZ 3.34Å; D414-K440 PolarHBondContact OD2-NZ 3.32Å; P438-K440 WeakPolarHBondContact CB-O 3.3Å; P438-K440 PolarHBondContact O-N 3.38Å; K440-G442 PolarHBondContact O-N 3.46Å; K440-E443 HydrophobicContact CB-CG 3.98Å; K440-E443 WeakPolarHBondContact O-CB 3.27Å; K440-E443 PolarHBondContact O-N 2.94Å; K440-E443 VanDerWaalsContact O-N 3.12Å
441	E	81.4	Confident	84.4	Confident	198 Å²	198	53.8 Å²	53.8	93%	0.925	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	132.6	176.2	-170.8	172.4	-172.1	0	0	110.6	E443	E441-E443 VanDerWaalsContact C-N 3.34Å
442	G	78.4	Confident	84.4	Confident	83 Å²	83	50 Å²	50	86%	0.856	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-6.5	-176.4	0	0	0	0	0	115.5	K440	K440-G442 PolarHBondContact O-N 3.46Å
443	E	78.3	Confident	84.3	Confident	70 Å²	70	47.9 Å²	47.9	33%	0.327	24%	0.244	S	C	.	.	S	Bend	trans	-88.1	167.9	172	-60.2	-168.4	171.4	0	0	112	K413 P438 K440 E441	K413-E443 IonicContact NZ-OE1 2.56Å; K413-E443 PolarHBondContact NZ-OE1 2.91Å; K413-E443 IonicContact NZ-OE2 2.8Å; K413-E443 PolarHBondContact NZ-OE2 2.76Å; P438-E443 HydrophobicContact CB-CB 4.28Å; P438-E443 WeakPolarHBondContact CB-O 3.44Å; K440-E443 HydrophobicContact CB-CG 3.98Å; K440-E443 WeakPolarHBondContact O-CB 3.27Å; K440-E443 PolarHBondContact O-N 2.94Å; K440-E443 VanDerWaalsContact O-N 3.12Å; E441-E443 VanDerWaalsContact C-N 3.34Å
444	E	72.5	Confident	84.3	Confident	112 Å²	112	47.9 Å²	47.9	52%	0.523	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-78.2	156.7	173.2	-63.8	-165.2	-158.4	0	0	111.7	F348	F348-E444 HydrophobicContact CE2-CB 3.88Å; F348-E444 HydrophobicContact CE2-CG 4.04Å; F348-E444 WeakPolarHBondContact CE2-OE2 3.35Å; F348-E444 WeakPolarHBondContact CZ-OE2 3.21Å
445	I	78.2	Confident	84.5	Confident	63 Å²	63	47.9 Å²	47.9	32%	0.323	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-70.5	140.4	175.3	-60.4	161.2	0	0	0	109	Q352 K436 D447	Q352-I445 PolarHBondContact NE2-O 3.33Å; K436-I445 HydrophobicContact CB-CG2 4.3Å; K436-I445 WeakPolarHBondContact O-CD1 3.13Å; K436-I445 WeakPolarHBondContact O-CG1 3.34Å; I445-D447 PolarHBondContact O-N 3.01Å
446	A	82.7	Confident	84.9	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.017	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-55.6	126.9	174.7	0	0	0	0	0	111.6	A433 F439 F448	A433-A446 HydrophobicContact CB-CB 4.13Å; F439-A446 HydrophobicContact CE1-CB 3.79Å; F439-A446 HydrophobicContact CE2-CB 4.18Å; F439-A446 HydrophobicContact CZ-CB 3.46Å; F439-A446 VanDerWaalsContact CZ-CB 3.46Å; A446-F448 HydrophobicContact CB-CE2 4.31Å
447	D	84.6	Confident	85.4	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.011	21%	0.212	C	C	.	.			trans	-113.7	109.3	176.5	-165.6	-28.2	0	0	0	109	Q352 I445 Y449 W450 I451 L478 T479	Q352-D447 PolarHBondContact OE1-O 2.87Å; I445-D447 PolarHBondContact O-N 3.01Å; D447-Y449 PolarHBondContact O-N 2.91Å; D447-Y449 VanDerWaalsContact O-N 3.17Å; D447-Y449 VanDerWaalsContact OD1-CB 3.3Å; D447-Y449 WeakPolarHBondContact OD1-CB 3.49Å; D447-Y449 PolarHBondContact OD1-N 3.25Å; D447-Y449 VanDerWaalsContact OD1-N 3.1Å; D447-W450 PolarHBondContact O-N 3.14Å; D447-I451 PolarHBondContact O-N 3.12Å; D447-L478 WeakPolarHBondContact OD1-CA 3.31Å; D447-L478 WeakPolarHBondContact OD1-CD2 3.35Å; D447-T479 HydrophobicContact CB-CG2 3.71Å; D447-T479 WeakPolarHBondContact OD2-CB 3.4Å; D447-T479 WeakPolarHBondContact OD2-CG2 3.22Å; D447-T479 PolarHBondContact OD2-N 2.98Å; D447-T479 PolarHBondContact OD2-OG1 3.32Å
448	F	89.5	Confident	85.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70	-14.2	-174.8	-84.5	-109.3	0	0	0	112.9	M430 A433 A446 W450 I451 T452 S471 L476 P477 L499 L503	M430-F448 HydrophobicContact CE-CZ 4.19Å; A433-F448 HydrophobicContact CB-CE2 3.83Å; A433-F448 HydrophobicContact CB-CZ 4.35Å; A446-F448 HydrophobicContact CB-CE2 4.31Å; F448-W450 VanDerWaalsContact C-N 3.31Å; F448-W450 PolarHBondContact O-N 3.07Å; F448-I451 HydrophobicContact CD2-CD1 4.17Å; F448-I451 HydrophobicContact CE2-CD1 4.13Å; F448-I451 HydrophobicContact CG-CD1 4.35Å; F448-I451 HydrophobicContact CZ-CD1 4.31Å; F448-T452 WeakPolarHBondContact O-CB 3.5Å; F448-T452 VanDerWaalsContact O-CG2 3.27Å; F448-T452 WeakPolarHBondContact O-CG2 3.39Å; F448-T452 PolarHBondContact O-N 3.32Å; F448-T452 PolarHBondContact O-OG1 2.81Å; F448-S471 PolarHBondContact O-OG 3.29Å; F448-L476 HydrophobicContact CB-CB 3.62Å; F448-L476 HydrophobicContact CB-CD1 4.05Å; F448-L476 HydrophobicContact CB-CG 4.39Å; F448-L476 HydrophobicContact CD1-CB 4.49Å; F448-L476 HydrophobicContact CD1-CD1 4.17Å; F448-L476 HydrophobicContact CD1-CD2 4.3Å; F448-L476 HydrophobicContact CG-CB 4.19Å; F448-P477 HydrophobicContact CD2-CB 4.15Å; F448-P477 HydrophobicContact CD2-CG 4.01Å; F448-P477 HydrophobicContact CE2-CG 4.29Å; F448-P477 PolarHBondContact N-O 3.07Å; F448-L499 HydrophobicContact CD1-CD1 4.37Å; F448-L499 HydrophobicContact CE1-CD1 3.99Å; F448-L499 HydrophobicContact CE1-CD2 4.48Å; F448-L499 HydrophobicContact CE1-CG 4.31Å; F448-L499 HydrophobicContact CE2-CD1 4.27Å; F448-L499 HydrophobicContact CE2-CD2 3.99Å; F448-L499 HydrophobicContact CZ-CD1 3.95Å; F448-L499 HydrophobicContact CZ-CD2 3.71Å; F448-L499 HydrophobicContact CZ-CG 4.01Å; F448-L503 HydrophobicContact CD1-CD1 4.3Å; F448-L503 HydrophobicContact CE1-CD2 4.37Å
449	Y	86.7	Confident	85.4	Confident	19 Å²	19	38.2 Å²	38.2	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-46.8	166.4	158.5	-124.8	0	0	0	111	L338 D447 T452 A453 A467 K468 S471 L478	L338-Y449 VanDerWaalsContact CD2-OH 3.27Å; L338-Y449 WeakPolarHBondContact CD2-OH 3.34Å; D447-Y449 PolarHBondContact O-N 2.91Å; D447-Y449 VanDerWaalsContact O-N 3.17Å; D447-Y449 VanDerWaalsContact OD1-CB 3.3Å; D447-Y449 WeakPolarHBondContact OD1-CB 3.49Å; D447-Y449 PolarHBondContact OD1-N 3.25Å; D447-Y449 VanDerWaalsContact OD1-N 3.1Å; Y449-T452 PolarHBondContact O-OG1 3.44Å; Y449-A453 HydrophobicContact CD2-CB 4.39Å; Y449-A453 HydrophobicContact CE2-CB 4.25Å; Y449-A453 WeakPolarHBondContact O-CB 3.39Å; Y449-A453 PolarHBondContact O-N 3.09Å; Y449-A467 HydrophobicContact CD2-CB 4.42Å; Y449-A467 WeakPolarHBondContact CD2-O 3.47Å; Y449-A467 VanDerWaalsContact CE2-C 3.42Å; Y449-A467 HydrophobicContact CE2-CB 3.58Å; Y449-K468 VanDerWaalsContact CD2-CA 3.4Å; Y449-K468 HydrophobicContact CD2-CB 3.66Å; Y449-K468 HydrophobicContact CD2-CG 4.1Å; Y449-K468 HydrophobicContact CE2-CB 3.8Å; Y449-K468 HydrophobicContact CG-CB 4.13Å; Y449-K468 HydrophobicContact CG-CG 4.08Å; Y449-S471 WeakPolarHBondContact CA-OG 3.27Å; Y449-S471 PolarHBondContact N-OG 2.68Å; Y449-L478 VanDerWaalsContact CB-CD2 3.41Å
450	W	85.8	Confident	85.3	Confident	25 Å²	25	38.8 Å²	38.8	10%	0.095	21%	0.208	C	C	.	.	H	α-helix	trans	-71.2	-39.7	-178.3	-66	121.6	0	0	0	111.6	L338 L339 F348 L349 D447 F448 T454	L338-W450 HydrophobicContact CB-CH2 3.87Å; L338-W450 HydrophobicContact CB-CZ3 3.43Å; L338-W450 VanDerWaalsContact CB-CZ3 3.43Å; L338-W450 HydrophobicContact CD1-CE3 4.06Å; L338-W450 HydrophobicContact CD1-CZ3 3.68Å; L338-W450 HydrophobicContact CG-CZ3 4.14Å; L339-W450 HydrophobicContact CD2-CH2 4.03Å; L339-W450 HydrophobicContact CD2-CZ3 4.36Å; F348-W450 AromaticContact CE1-CD1 3.52Å; F348-W450 HydrophobicContact CE1-CG 4.4Å; F348-W450 AromaticContact CE1-NE1 3.41Å; L349-W450 HydrophobicContact CD1-CD2 4.24Å; L349-W450 HydrophobicContact CD1-CE3 3.32Å; L349-W450 HydrophobicContact CD1-CZ3 3.58Å; D447-W450 PolarHBondContact O-N 3.14Å; F448-W450 VanDerWaalsContact C-N 3.31Å; F448-W450 PolarHBondContact O-N 3.07Å; W450-T454 WeakPolarHBondContact O-CB 3.43Å; W450-T454 VanDerWaalsContact O-CG2 3.25Å; W450-T454 WeakPolarHBondContact O-CG2 3.32Å; W450-T454 PolarHBondContact O-N 2.78Å; W450-T454 VanDerWaalsContact O-N 3.09Å; W450-T454 PolarHBondContact O-OG1 2.73Å
451	I	89.5	Confident	85.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-51	177.5	-62.1	167.8	0	0	0	110.9	Q352 S353 I410 I412 D447 F448 T454 Q455	Q352-I451 HydrophobicContact CB-CG1 4.43Å; S353-I451 WeakPolarHBondContact OG-CA 3.41Å; I410-I451 HydrophobicContact CD1-CG2 4.16Å; I410-I451 HydrophobicContact CG1-CG2 4.36Å; I412-I451 HydrophobicContact CD1-CD1 4.32Å; I412-I451 HydrophobicContact CD1-CG2 4.28Å; I412-I451 HydrophobicContact CG1-CD1 4.26Å; I412-I451 HydrophobicContact CG1-CG2 3.98Å; I412-I451 HydrophobicContact CG2-CD1 4.27Å; D447-I451 PolarHBondContact O-N 3.12Å; F448-I451 HydrophobicContact CD2-CD1 4.17Å; F448-I451 HydrophobicContact CE2-CD1 4.13Å; F448-I451 HydrophobicContact CG-CD1 4.35Å; F448-I451 HydrophobicContact CZ-CD1 4.31Å; I451-T454 PolarHBondContact O-N 3.13Å; I451-T454 PolarHBondContact O-OG1 2.62Å; I451-Q455 PolarHBondContact O-N 3Å; I451-Q455 VanDerWaalsContact O-N 3.09Å
452	T	91.8	Very high	85.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-71.8	-36	-177.7	60.7	0	0	0	0	112.6	F448 Y449 T454 I456 L457 S471 L476 L503 F506	F448-T452 WeakPolarHBondContact O-CB 3.5Å; F448-T452 VanDerWaalsContact O-CG2 3.27Å; F448-T452 WeakPolarHBondContact O-CG2 3.39Å; F448-T452 PolarHBondContact O-N 3.32Å; F448-T452 PolarHBondContact O-OG1 2.81Å; Y449-T452 PolarHBondContact O-OG1 3.44Å; T452-T454 VanDerWaalsContact C-N 3.29Å; T452-T454 PolarHBondContact O-N 2.95Å; T452-I456 HydrophobicContact CG2-CD1 3.76Å; T452-I456 WeakPolarHBondContact O-CA 3.39Å; T452-I456 WeakPolarHBondContact O-CB 3.38Å; T452-I456 PolarHBondContact O-N 2.98Å; T452-L457 PolarHBondContact O-N 2.76Å; T452-S471 PolarHBondContact OG1-OG 2.68Å; T452-L476 HydrophobicContact CG2-CD1 3.74Å; T452-L503 HydrophobicContact CG2-CD1 3.79Å; T452-F506 HydrophobicContact CG2-CD1 3.97Å; T452-F506 HydrophobicContact CG2-CE1 3.57Å; T452-F506 HydrophobicContact CG2-CZ 4.27Å
453	A	89.8	Confident	85.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-34.3	174.8	0	0	0	0	0	112.8	L338 Y449 A467	L338-A453 HydrophobicContact CD1-CB 3.88Å; Y449-A453 HydrophobicContact CD2-CB 4.39Å; Y449-A453 HydrophobicContact CE2-CB 4.25Å; Y449-A453 WeakPolarHBondContact O-CB 3.39Å; Y449-A453 PolarHBondContact O-N 3.09Å; A453-A467 HydrophobicContact CB-CB 4.03Å
454	T	88.5	Confident	85	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-81.4	-32.8	-178.6	47	0	0	0	0	113.3	R330 V334 L349 S353 W450 I451 T452	R330-T454 PolarHBondContact NH2-O 3.36Å; V334-T454 HydrophobicContact CG1-CG2 4.23Å; V334-T454 HydrophobicContact CG2-CG2 4.21Å; L349-T454 HydrophobicContact CD1-CG2 3.64Å; L349-T454 HydrophobicContact CD2-CG2 3.59Å; L349-T454 HydrophobicContact CG-CG2 3.66Å; S353-T454 WeakPolarHBondContact CB-OG1 3.35Å; S353-T454 PolarHBondContact OG-OG1 3.15Å; W450-T454 WeakPolarHBondContact O-CB 3.43Å; W450-T454 VanDerWaalsContact O-CG2 3.25Å; W450-T454 WeakPolarHBondContact O-CG2 3.32Å; W450-T454 PolarHBondContact O-N 2.78Å; W450-T454 VanDerWaalsContact O-N 3.09Å; W450-T454 PolarHBondContact O-OG1 2.73Å; I451-T454 PolarHBondContact O-N 3.13Å; I451-T454 PolarHBondContact O-OG1 2.62Å; T452-T454 VanDerWaalsContact C-N 3.29Å; T452-T454 PolarHBondContact O-N 2.95Å
455	Q	91.8	Very high	85.3	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-124	-9.2	-166.6	-58.4	-174.1	67.8	0	0	115.3	S353 S355 L358 Y359 I410 A411 I451	S353-Q455 VanDerWaalsContact CB-NE2 3.32Å; S353-Q455 PolarHBondContact OG-NE2 2.8Å; S355-Q455 WeakPolarHBondContact O-CG 3.48Å; L358-Q455 CarbonylContact C-O 3.37Å; L358-Q455 VanDerWaalsContact CA-O 3.25Å; L358-Q455 WeakPolarHBondContact CA-O 3.49Å; Y359-Q455 PolarHBondContact N-O 3.48Å; I410-Q455 HydrophobicContact CD1-CB 3.81Å; A411-Q455 VanDerWaalsContact CB-OE1 3.27Å; A411-Q455 PolarHBondContact O-NE2 2.9Å; I451-Q455 PolarHBondContact O-N 3Å; I451-Q455 VanDerWaalsContact O-N 3.09Å
456	I	93.9	Very high	85.7	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-48.2	-178.8	-60.4	178.2	0	0	0	111.2	L358 Y359 I410 T452 L503 F506 A507 L510	L358-I456 WeakPolarHBondContact CD2-O 3.5Å; Y359-I456 HydrophobicContact CD1-CB 4.44Å; Y359-I456 HydrophobicContact CD1-CG1 3.86Å; Y359-I456 HydrophobicContact CE1-CG1 4.32Å; Y359-I456 HydrophobicContact CE1-CG2 4.3Å; I410-I456 HydrophobicContact CD1-CG1 4.45Å; T452-I456 HydrophobicContact CG2-CD1 3.76Å; T452-I456 WeakPolarHBondContact O-CA 3.39Å; T452-I456 WeakPolarHBondContact O-CB 3.38Å; T452-I456 PolarHBondContact O-N 2.98Å; I456-L503 HydrophobicContact CD1-CD1 3.62Å; I456-L503 HydrophobicContact CD1-CG 4.42Å; I456-F506 HydrophobicContact CB-CE2 4.43Å; I456-F506 HydrophobicContact CG2-CD2 3.94Å; I456-F506 HydrophobicContact CG2-CE2 3.54Å; I456-F506 HydrophobicContact CG2-CZ 4.13Å; I456-A507 HydrophobicContact CD1-CB 4.26Å; I456-A507 HydrophobicContact CG2-CB 4.48Å; I456-L510 HydrophobicContact CG2-CD2 3.9Å
457	L	91.9	Very high	85.9	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-74.3	140.1	-176.5	-64.2	-178.6	0	0	0	112.2	R330 T452 H461 A467 P470 F506 L510 W650	R330-L457 VanDerWaalsContact CZ-O 3.26Å; R330-L457 PolarHBondContact NH1-O 2.99Å; R330-L457 PolarHBondContact NH2-O 3.49Å; T452-L457 PolarHBondContact O-N 2.76Å; L457-H461 HydrophobicContact CB-CB 4.09Å; L457-H461 HydrophobicContact CD1-CB 4.22Å; L457-H461 HydrophobicContact CD2-CB 4.39Å; L457-H461 HydrophobicContact CG-CB 4.47Å; L457-A467 HydrophobicContact CD1-CB 3.99Å; L457-A467 WeakPolarHBondContact CD1-O 3.27Å; L457-P470 HydrophobicContact CD1-CG 4.18Å; L457-P470 HydrophobicContact CD2-CB 4.41Å; L457-P470 HydrophobicContact CD2-CG 4.02Å; L457-F506 HydrophobicContact CD2-CE2 3.81Å; L457-F506 HydrophobicContact CD2-CZ 3.69Å; L457-F506 HydrophobicContact CG-CZ 4.06Å; L457-L510 HydrophobicContact CD2-CD2 4.34Å; L457-W650 HydrophobicContact CD2-CH2 3.86Å; L457-W650 HydrophobicContact CD2-CZ3 4.13Å
458	D	86.4	Confident	86	Confident	45 Å²	45	20.1 Å²	20.1	24%	0.241	11%	0.109	C	C	.	.			trans	-68.5	168.9	167.4	71.9	43.7	0	0	0	112	S460 H461	D458-S460 VanDerWaalsContact C-N 3.25Å; D458-S460 PolarHBondContact O-N 2.95Å; D458-S460 WeakPolarHBondContact OD1-CA 3.5Å; D458-S460 VanDerWaalsContact OD1-CB 3.25Å; D458-S460 WeakPolarHBondContact OD1-CB 3.32Å; D458-S460 PolarHBondContact OD1-N 3.33Å; D458-S460 PolarHBondContact OD1-OG 2.87Å; D458-H461 PolarHBondContact O-N 2.71Å; D458-H461 IonicContact OD1-CE1 2.75Å; D458-H461 PolarHBondContact OD1-CE1 2.84Å; D458-H461 IonicContact OD1-CG 2.73Å; D458-H461 PolarHBondContact OD1-N 3.13Å; D458-H461 IonicContact OD1-ND1 3.61Å; D458-H461 PolarHBondContact OD1-ND1 3.14Å; D458-H461 IonicContact OD2-CE1 2.84Å; D458-H461 PolarHBondContact OD2-CE1 2.83Å; D458-H461 IonicContact OD2-ND1 3.2Å; D458-H461 PolarHBondContact OD2-ND1 3.09Å; D458-H461 VanDerWaalsContact OD2-ND1 3.07Å
459	E	83.9	Confident	86	Confident	58 Å²	58	22 Å²	22	27%	0.271	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-64.6	-27.1	-177.1	-63.9	-178.2	-171.1	0	0	114.1	H329 R330 A333 H461 M462	H329-E459 IonicContact CE1-OE1 3.41Å; H329-E459 PolarHBondContact CE1-OE1 3.18Å; H329-E459 IonicContact CE1-OE2 3.4Å; H329-E459 PolarHBondContact CE1-OE2 3.29Å; H329-E459 IonicContact CG-OE1 2.63Å; H329-E459 VanDerWaalsContact ND1-CD 3.27Å; H329-E459 IonicContact ND1-OE1 2.84Å; H329-E459 PolarHBondContact ND1-OE1 3.3Å; H329-E459 IonicContact ND1-OE2 3.6Å; H329-E459 PolarHBondContact ND1-OE2 3.24Å; H329-E459 VanDerWaalsContact ND1-OE2 3.13Å; R330-E459 HydrophobicContact CG-CG 4.03Å; R330-E459 WeakPolarHBondContact CG-OE1 3.41Å; A333-E459 HydrophobicContact CB-CG 4.06Å; E459-H461 PolarHBondContact O-N 3.34Å; E459-M462 HydrophobicContact CB-SD 4.34Å; E459-M462 HydrophobicContact CG-CE 4.02Å; E459-M462 HydrophobicContact CG-SD 4.07Å; E459-M462 WeakPolarHBondContact O-CB 3.48Å; E459-M462 PolarHBondContact O-N 2.9Å; E459-M462 VanDerWaalsContact O-N 3.15Å
460	S	81.8	Confident	86.3	Confident	38 Å²	38	21 Å²	21	27%	0.266	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-67.7	-21.4	178.9	80.6	0	0	0	0	112.3	D458 K658	D458-S460 VanDerWaalsContact C-N 3.25Å; D458-S460 PolarHBondContact O-N 2.95Å; D458-S460 WeakPolarHBondContact OD1-CA 3.5Å; D458-S460 VanDerWaalsContact OD1-CB 3.25Å; D458-S460 WeakPolarHBondContact OD1-CB 3.32Å; D458-S460 PolarHBondContact OD1-N 3.33Å; D458-S460 PolarHBondContact OD1-OG 2.87Å; S460-K658 WeakPolarHBondContact OG-CE 3.2Å; S460-K658 PolarHBondContact OG-NZ 2.88Å
461	H	84.3	Confident	86.5	Confident	13 Å²	13	19.9 Å²	19.9	6%	0.06	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-91.8	-12.1	175.7	-58.9	102.8	0	0	0	113.6	L457 D458 E459 R463 A467 M654	L457-H461 HydrophobicContact CB-CB 4.09Å; L457-H461 HydrophobicContact CD1-CB 4.22Å; L457-H461 HydrophobicContact CD2-CB 4.39Å; L457-H461 HydrophobicContact CG-CB 4.47Å; D458-H461 PolarHBondContact O-N 2.71Å; D458-H461 IonicContact OD1-CE1 2.75Å; D458-H461 PolarHBondContact OD1-CE1 2.84Å; D458-H461 IonicContact OD1-CG 2.73Å; D458-H461 PolarHBondContact OD1-N 3.13Å; D458-H461 IonicContact OD1-ND1 3.61Å; D458-H461 PolarHBondContact OD1-ND1 3.14Å; D458-H461 IonicContact OD2-CE1 2.84Å; D458-H461 PolarHBondContact OD2-CE1 2.83Å; D458-H461 IonicContact OD2-ND1 3.2Å; D458-H461 PolarHBondContact OD2-ND1 3.09Å; D458-H461 VanDerWaalsContact OD2-ND1 3.07Å; E459-H461 PolarHBondContact O-N 3.34Å; H461-R463 PolarHBondContact O-N 2.92Å; H461-A467 WeakPolarHBondContact O-CA 3.32Å; H461-A467 VanDerWaalsContact O-CB 3.27Å; H461-A467 WeakPolarHBondContact O-CB 3.22Å; H461-A467 PolarHBondContact O-N 3.36Å; H461-M654 VanDerWaalsContact CD2-CE 3.46Å; H461-M654 WeakPolarHBondContact CD2-CE 3.24Å
462	M	80.6	Confident	86.4	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.			trans	-71.6	19.6	-169.9	-70.5	-176.8	-174.8	0	0	115.8	R330 A333 V334 Y337 L338 E459	R330-M462 HydrophobicContact CB-CE 4.36Å; R330-M462 HydrophobicContact CG-CE 4.4Å; R330-M462 VanDerWaalsContact NH1-CE 3.27Å; A333-M462 HydrophobicContact CB-SD 3.88Å; V334-M462 HydrophobicContact CG2-CE 3.96Å; V334-M462 HydrophobicContact CG2-SD 3.6Å; V334-M462 VanDerWaalsContact CG2-SD 3.6Å; Y337-M462 WeakPolarHBondContact CB-O 3.45Å; Y337-M462 HydrophobicContact CD2-CB 4.37Å; L338-M462 WeakPolarHBondContact CD2-O 3.43Å; L338-M462 WeakPolarHBondContact CG-O 3.41Å; E459-M462 HydrophobicContact CB-SD 4.34Å; E459-M462 HydrophobicContact CG-CE 4.02Å; E459-M462 HydrophobicContact CG-SD 4.07Å; E459-M462 WeakPolarHBondContact O-CB 3.48Å; E459-M462 PolarHBondContact O-N 2.9Å; E459-M462 VanDerWaalsContact O-N 3.15Å
463	R	81.4	Confident	86.3	Confident	59 Å²	59	25.8 Å²	25.8	22%	0.223	13%	0.134	C	C	.	.	S	Bend	trans	-81.9	142.2	174.3	-66.8	-166.8	-177.3	-96.7	6.4	111.6	H461 G465 L466 A467 F662	H461-R463 PolarHBondContact O-N 2.92Å; R463-G465 PolarHBondContact O-N 2.84Å; R463-L466 HydrophobicContact CB-CB 4.32Å; R463-L466 PolarHBondContact O-N 3.41Å; R463-L466 VanDerWaalsContact O-N 3.13Å; R463-A467 PolarHBondContact O-N 3.4Å; R463-F662 VanDerWaalsContact NE-CE1 3.3Å
464	P	70.4	Confident	86.4	Confident	60 Å²	60	26.4 Å²	26.4	39%	0.39	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	125.9	175.3	-22.9	33	0	0	0	110.5	Y337 L338	Y337-P464 WeakPolarHBondContact O-CD 3.45Å; Y337-P464 WeakPolarHBondContact O-CG 3.37Å; L338-P464 HydrophobicContact CD2-CG 4.12Å
465	G	77.8	Confident	86.4	Confident	36 Å²	36	29.7 Å²	29.7	37%	0.371	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-63.4	-170.8	0	0	0	0	0	111.6	R463 A467 K468 M469	R463-G465 PolarHBondContact O-N 2.84Å; G465-A467 PolarHBondContact O-N 2.92Å; G465-K468 WeakPolarHBondContact O-CB 3.33Å; G465-K468 PolarHBondContact O-N 2.83Å; G465-K468 VanDerWaalsContact O-N 3.12Å; G465-M469 WeakPolarHBondContact O-CG 3.43Å; G465-M469 PolarHBondContact O-N 2.96Å
466	L	86.6	Confident	86.2	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-48	179.4	-175.7	64.1	0	0	0	111.9	R463 K468 M469 P470 M654 M657 K658	R463-L466 HydrophobicContact CB-CB 4.32Å; R463-L466 PolarHBondContact O-N 3.41Å; R463-L466 VanDerWaalsContact O-N 3.13Å; L466-K468 PolarHBondContact O-N 2.77Å; L466-K468 VanDerWaalsContact O-N 3.12Å; L466-M469 PolarHBondContact O-N 2.76Å; L466-M469 VanDerWaalsContact O-N 3.17Å; L466-P470 VanDerWaalsContact O-CD 3.23Å; L466-P470 WeakPolarHBondContact O-CD 3.33Å; L466-M654 HydrophobicContact CD1-CE 3.52Å; L466-M654 HydrophobicContact CD1-SD 4.05Å; L466-M654 HydrophobicContact CG-CE 3.97Å; L466-M657 HydrophobicContact CD1-CB 3.86Å; L466-M657 HydrophobicContact CD1-CE 4.02Å; L466-K658 HydrophobicContact CD1-CG 4.48Å; L466-K658 HydrophobicContact CD2-CG 3.54Å
467	A	87.9	Confident	85.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.7	179.8	0	0	0	0	0	113.7	L338 Y449 A453 L457 H461 R463 G465	L338-A467 HydrophobicContact CD2-CB 4.38Å; Y449-A467 HydrophobicContact CD2-CB 4.42Å; Y449-A467 WeakPolarHBondContact CD2-O 3.47Å; Y449-A467 VanDerWaalsContact CE2-C 3.42Å; Y449-A467 HydrophobicContact CE2-CB 3.58Å; A453-A467 HydrophobicContact CB-CB 4.03Å; L457-A467 HydrophobicContact CD1-CB 3.99Å; L457-A467 WeakPolarHBondContact CD1-O 3.27Å; H461-A467 WeakPolarHBondContact O-CA 3.32Å; H461-A467 VanDerWaalsContact O-CB 3.27Å; H461-A467 WeakPolarHBondContact O-CB 3.22Å; H461-A467 PolarHBondContact O-N 3.36Å; R463-A467 PolarHBondContact O-N 3.4Å; G465-A467 PolarHBondContact O-N 2.92Å
468	K	86.8	Confident	85.2	Confident	68 Å²	68	31.7 Å²	31.7	30%	0.296	16%	0.164	S	C	.	.	H	α-helix	trans	-86.3	-26.6	178.5	-169.8	179.9	177.1	-167.5	0	112.6	Y449 G465 L466 S471 Y472 L478 S480	Y449-K468 VanDerWaalsContact CD2-CA 3.4Å; Y449-K468 HydrophobicContact CD2-CB 3.66Å; Y449-K468 HydrophobicContact CD2-CG 4.1Å; Y449-K468 HydrophobicContact CE2-CB 3.8Å; Y449-K468 HydrophobicContact CG-CB 4.13Å; Y449-K468 HydrophobicContact CG-CG 4.08Å; G465-K468 WeakPolarHBondContact O-CB 3.33Å; G465-K468 PolarHBondContact O-N 2.83Å; G465-K468 VanDerWaalsContact O-N 3.12Å; L466-K468 PolarHBondContact O-N 2.77Å; L466-K468 VanDerWaalsContact O-N 3.12Å; K468-S471 PolarHBondContact O-N 3.28Å; K468-Y472 PolarHBondContact O-N 2.92Å; K468-L478 HydrophobicContact CG-CD1 4.27Å; K468-S480 VanDerWaalsContact CE-OG 3.23Å; K468-S480 WeakPolarHBondContact CE-OG 3.37Å; K468-S480 PolarHBondContact NZ-OG 2.93Å
469	M	88.9	Confident	84.4	Confident	39 Å²	39	32.3 Å²	32.3	19%	0.192	17%	0.17	C	C	.	.	H	α-helix	trans	-56.9	-45.9	-176.1	-69.3	-70.4	-82.9	0	0	112.5	G465 L466 S471 Y472 Y473 M654 M657 L687	G465-M469 WeakPolarHBondContact O-CG 3.43Å; G465-M469 PolarHBondContact O-N 2.96Å; L466-M469 PolarHBondContact O-N 2.76Å; L466-M469 VanDerWaalsContact O-N 3.17Å; M469-S471 PolarHBondContact O-N 2.88Å; M469-Y472 WeakPolarHBondContact O-CB 3.48Å; M469-Y472 PolarHBondContact O-N 3Å; M469-Y473 WeakPolarHBondContact O-CB 3.48Å; M469-Y473 PolarHBondContact O-N 3.48Å; M469-M654 HydrophobicContact CB-SD 4.13Å; M469-M657 HydrophobicContact CB-CE 4.07Å; M469-M657 HydrophobicContact CE-CE 3.69Å; M469-M657 HydrophobicContact CE-SD 3.64Å; M469-M657 HydrophobicContact CG-CE 3.88Å; M469-M657 HydrophobicContact CG-SD 4.23Å; M469-L687 HydrophobicContact CE-CD1 3.92Å; M469-L687 HydrophobicContact SD-CD1 4.47Å
470	P	92.3	Very high	83.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-47.2	176.9	-29.6	39.2	0	0	0	113.8	L457 L466 Y472 Y473 Y474 F506 F649 W650 M654	L457-P470 HydrophobicContact CD1-CG 4.18Å; L457-P470 HydrophobicContact CD2-CB 4.41Å; L457-P470 HydrophobicContact CD2-CG 4.02Å; L466-P470 VanDerWaalsContact O-CD 3.23Å; L466-P470 WeakPolarHBondContact O-CD 3.33Å; P470-Y472 PolarHBondContact O-N 2.8Å; P470-Y473 PolarHBondContact O-N 3.29Å; P470-Y473 VanDerWaalsContact O-N 3.13Å; P470-Y474 VanDerWaalsContact O-CD2 3.32Å; P470-Y474 WeakPolarHBondContact O-CD2 3.42Å; P470-Y474 PolarHBondContact O-N 2.82Å; P470-F506 HydrophobicContact CB-CD1 4.3Å; P470-F506 HydrophobicContact CB-CE1 3.48Å; P470-F506 VanDerWaalsContact CB-CE1 3.48Å; P470-F506 HydrophobicContact CB-CE2 3.9Å; P470-F506 HydrophobicContact CB-CZ 3.27Å; P470-F506 HydrophobicContact CG-CZ 4.24Å; P470-F649 HydrophobicContact CB-CE1 4.31Å; P470-F649 HydrophobicContact CB-CZ 4.3Å; P470-F649 HydrophobicContact CG-CE1 4.26Å; P470-F649 HydrophobicContact CG-CZ 4.03Å; P470-W650 HydrophobicContact CB-CH2 3.52Å; P470-W650 HydrophobicContact CB-CZ2 4.06Å; P470-W650 HydrophobicContact CB-CZ3 4.36Å; P470-W650 HydrophobicContact CG-CH2 3.52Å; P470-W650 HydrophobicContact CG-CZ2 4.45Å; P470-W650 HydrophobicContact CG-CZ3 3.88Å; P470-M654 HydrophobicContact CG-CE 3.85Å; P470-M654 HydrophobicContact CG-SD 4.13Å
471	S	90.3	Very high	82	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-34.8	177.9	-76.1	0	0	0	0	112.7	F448 Y449 T452 K468 M469 N475 L476	F448-S471 PolarHBondContact O-OG 3.29Å; Y449-S471 WeakPolarHBondContact CA-OG 3.27Å; Y449-S471 PolarHBondContact N-OG 2.68Å; T452-S471 PolarHBondContact OG1-OG 2.68Å; K468-S471 PolarHBondContact O-N 3.28Å; M469-S471 PolarHBondContact O-N 2.88Å; S471-N475 PolarHBondContact O-N 3.41Å; S471-L476 PolarHBondContact O-N 3.12Å
472	Y	87.3	Confident	80	Confident	66 Å²	66	37.7 Å²	37.7	26%	0.259	21%	0.212	S	C	.	.	H	α-helix	trans	-66.8	-48.8	173.5	-179	-87	0	0	0	111.5	K468 M469 P470 Y474 N475 Y486 L685	K468-Y472 PolarHBondContact O-N 2.92Å; M469-Y472 WeakPolarHBondContact O-CB 3.48Å; M469-Y472 PolarHBondContact O-N 3Å; P470-Y472 PolarHBondContact O-N 2.8Å; Y472-Y474 VanDerWaalsContact C-N 3.31Å; Y472-Y474 PolarHBondContact O-N 2.56Å; Y472-N475 PolarHBondContact O-N 2.97Å; Y472-N475 PolarHBondContact O-OD1 2.83Å; Y472-Y486 HydrophobicContact CD2-CD2 4.45Å; Y472-Y486 AromaticContact CE2-CD2 3.35Å; Y472-Y486 HydrophobicContact CE2-CD2 3.35Å; Y472-Y486 AromaticContact CE2-CE2 3.51Å; Y472-Y486 HydrophobicContact CE2-CE2 3.51Å; Y472-Y486 HydrophobicContact CE2-CG 4.22Å; Y472-Y486 AromaticContact CZ-CD2 3.66Å; Y472-Y486 AromaticContact CZ-CE2 3.74Å; Y472-Y486 VanDerWaalsContact OH-CD2 3.3Å; Y472-Y486 WeakPolarHBondContact OH-CD2 3.39Å; Y472-Y486 WeakPolarHBondContact OH-CE1 3.41Å; Y472-Y486 WeakPolarHBondContact OH-CE2 3.22Å; Y472-L685 HydrophobicContact CE1-CD2 3.84Å
473	Y	90.5	Very high	78.3	Confident	59 Å²	59	47.5 Å²	47.5	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-41.7	-179.5	-175.9	-89.1	0	0	0	112.3	M469 P470 N475 D645 R646 F649	M469-Y473 WeakPolarHBondContact O-CB 3.48Å; M469-Y473 PolarHBondContact O-N 3.48Å; P470-Y473 PolarHBondContact O-N 3.29Å; P470-Y473 VanDerWaalsContact O-N 3.13Å; Y473-N475 VanDerWaalsContact C-N 3.25Å; Y473-N475 PolarHBondContact O-N 2.67Å; Y473-D645 PolarHBondContact OH-O 3.22Å; Y473-R646 HydrophobicContact CE1-CB 4.21Å; Y473-R646 HydrophobicContact CE1-CG 4Å; Y473-R646 VanDerWaalsContact OH-CA 3.27Å; Y473-R646 WeakPolarHBondContact OH-CA 3.45Å; Y473-R646 PolarHBondContact OH-N 2.91Å; Y473-F649 HydrophobicContact CD1-CD1 4.03Å; Y473-F649 HydrophobicContact CD1-CE1 4.33Å; Y473-F649 HydrophobicContact CD1-CG 4.17Å; Y473-F649 HydrophobicContact CD2-CB 4.29Å; Y473-F649 HydrophobicContact CD2-CD1 4.43Å; Y473-F649 AromaticContact CD2-CD2 3.59Å; Y473-F649 HydrophobicContact CD2-CD2 3.59Å; Y473-F649 AromaticContact CD2-CE2 3.98Å; Y473-F649 HydrophobicContact CD2-CE2 3.98Å; Y473-F649 AromaticContact CD2-CG 3.84Å; Y473-F649 HydrophobicContact CD2-CG 3.84Å; Y473-F649 HydrophobicContact CE1-CB 4.22Å; Y473-F649 HydrophobicContact CE1-CD1 4.28Å; Y473-F649 HydrophobicContact CE1-CG 4.21Å; Y473-F649 HydrophobicContact CE2-CB 3.8Å; Y473-F649 AromaticContact CE2-CD2 3.92Å; Y473-F649 HydrophobicContact CE2-CD2 3.92Å; Y473-F649 AromaticContact CE2-CG 3.88Å; Y473-F649 HydrophobicContact CE2-CG 3.88Å; Y473-F649 HydrophobicContact CG-CD1 4.12Å; Y473-F649 AromaticContact CG-CD2 3.97Å; Y473-F649 HydrophobicContact CG-CD2 3.97Å; Y473-F649 HydrophobicContact CG-CE1 4.22Å; Y473-F649 HydrophobicContact CG-CE2 4.07Å; Y473-F649 AromaticContact CG-CG 4Å; Y473-F649 HydrophobicContact CG-CG 4Å; Y473-F649 HydrophobicContact CG-CZ 4.19Å
474	Y	91.8	Very high	76.4	Confident	13 Å²	13	53.6 Å²	53.6	5%	0.051	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9.8	178.4	-74.1	-86	0	0	0	114.2	P470 Y472 L476 R502 K505 F506 D509 F649 W650	P470-Y474 VanDerWaalsContact O-CD2 3.32Å; P470-Y474 WeakPolarHBondContact O-CD2 3.42Å; P470-Y474 PolarHBondContact O-N 2.82Å; Y472-Y474 VanDerWaalsContact C-N 3.31Å; Y472-Y474 PolarHBondContact O-N 2.56Å; Y474-L476 VanDerWaalsContact C-N 3.31Å; Y474-L476 PolarHBondContact O-N 2.81Å; Y474-R502 WeakPolarHBondContact O-CD 3.24Å; Y474-K505 HydrophobicContact CD1-CB 3.99Å; Y474-K505 HydrophobicContact CE1-CB 3.92Å; Y474-F506 HydrophobicContact CD1-CB 3.9Å; Y474-F506 HydrophobicContact CD2-CB 3.75Å; Y474-F506 AromaticContact CD2-CD1 3.97Å; Y474-F506 HydrophobicContact CD2-CD1 3.97Å; Y474-F506 HydrophobicContact CD2-CD2 4.45Å; Y474-F506 AromaticContact CD2-CG 3.78Å; Y474-F506 HydrophobicContact CD2-CG 3.78Å; Y474-F506 HydrophobicContact CE1-CB 4.23Å; Y474-F506 HydrophobicContact CE2-CB 4.11Å; Y474-F506 HydrophobicContact CE2-CD2 4.43Å; Y474-F506 HydrophobicContact CE2-CG 4.14Å; Y474-F506 HydrophobicContact CG-CB 3.66Å; Y474-F506 HydrophobicContact CG-CD1 4.32Å; Y474-F506 HydrophobicContact CG-CG 4.16Å; Y474-D509 VanDerWaalsContact CE1-OD2 3.28Å; Y474-D509 WeakPolarHBondContact CE1-OD2 3.2Å; Y474-D509 WeakPolarHBondContact OH-CB 3.06Å; Y474-D509 PolarHBondContact OH-OD2 2.98Å; Y474-F649 HydrophobicContact CE2-CE1 4.4Å; Y474-W650 AromaticContact CE2-CE2 3.97Å; Y474-W650 AromaticContact CE2-CZ2 3.76Å; Y474-W650 HydrophobicContact CE2-CZ2 3.76Å; Y474-W650 AromaticContact CE2-NE1 3.7Å; Y474-W650 AromaticContact CZ-NE1 3.71Å; Y474-W650 PolarHBondContact OH-NE1 2.72Å
475	N	87.6	Confident	74.9	Confident	68 Å²	68	52.5 Å²	52.5	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	44.2	179.5	-63.1	-36.1	0	0	0	113.5	S471 Y472 Y473 R502	S471-N475 PolarHBondContact O-N 3.41Å; Y472-N475 PolarHBondContact O-N 2.97Å; Y472-N475 PolarHBondContact O-OD1 2.83Å; Y473-N475 VanDerWaalsContact C-N 3.25Å; Y473-N475 PolarHBondContact O-N 2.67Å; N475-R502 WeakPolarHBondContact O-CD 3.28Å; N475-R502 PolarHBondContact O-NH1 3.05Å
476	L	88	Confident	73.6	Confident	10 Å²	10	56.5 Å²	56.5	5%	0.052	28%	0.283	C	S	.	.			trans	-82.6	154.1	174.5	-61.9	178.3	0	0	0	111.4	F448 T452 S471 Y474 L478 L499 R502 L503 F506	F448-L476 HydrophobicContact CB-CB 3.62Å; F448-L476 HydrophobicContact CB-CD1 4.05Å; F448-L476 HydrophobicContact CB-CG 4.39Å; F448-L476 HydrophobicContact CD1-CB 4.49Å; F448-L476 HydrophobicContact CD1-CD1 4.17Å; F448-L476 HydrophobicContact CD1-CD2 4.3Å; F448-L476 HydrophobicContact CG-CB 4.19Å; T452-L476 HydrophobicContact CG2-CD1 3.74Å; S471-L476 PolarHBondContact O-N 3.12Å; Y474-L476 VanDerWaalsContact C-N 3.31Å; Y474-L476 PolarHBondContact O-N 2.81Å; L476-L478 PolarHBondContact O-N 2.67Å; L476-L499 HydrophobicContact CD2-CD1 3.93Å; L476-R502 HydrophobicContact CD2-CB 3.65Å; L476-L503 HydrophobicContact CD1-CD1 4.21Å; L476-F506 HydrophobicContact CD1-CD1 3.81Å; L476-F506 HydrophobicContact CD1-CE1 4.34Å
477	P	84.7	Confident	71.4	Confident	7 Å²	7	65.1 Å²	65.1	5%	0.045	32%	0.317	C	S	.	.			trans	-61.4	127.1	177.4	-20.9	30	0	0	0	112.9	F448 I494 L499	F448-P477 HydrophobicContact CD2-CB 4.15Å; F448-P477 HydrophobicContact CD2-CG 4.01Å; F448-P477 HydrophobicContact CE2-CG 4.29Å; F448-P477 PolarHBondContact N-O 3.07Å; P477-I494 HydrophobicContact CG-CD1 4.17Å; P477-L499 HydrophobicContact CG-CD1 3.74Å; P477-L499 HydrophobicContact CG-CD2 4.31Å
478	L	79.1	Confident	69.4	Low	26 Å²	26	68 Å²	68	14%	0.136	33%	0.332	C	S	.	.			trans	-130.3	136.6	-179.9	-60.9	178.2	0	0	0	111.4	D447 Y449 K468 L476	D447-L478 WeakPolarHBondContact OD1-CA 3.31Å; D447-L478 WeakPolarHBondContact OD1-CD2 3.35Å; Y449-L478 VanDerWaalsContact CB-CD2 3.41Å; K468-L478 HydrophobicContact CG-CD1 4.27Å; L476-L478 PolarHBondContact O-N 2.67Å
479	T	71.3	Confident	67.4	Low	57 Å²	57	68.4 Å²	68.4	35%	0.35	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-38.3	-176	57.7	0	0	0	0	113.4	D447 S481	D447-T479 HydrophobicContact CB-CG2 3.71Å; D447-T479 WeakPolarHBondContact OD2-CB 3.4Å; D447-T479 WeakPolarHBondContact OD2-CG2 3.22Å; D447-T479 PolarHBondContact OD2-N 2.98Å; D447-T479 PolarHBondContact OD2-OG1 3.32Å; T479-S481 PolarHBondContact O-N 2.87Å
480	S	60.2	Low	65.5	Low	70 Å²	70	73.2 Å²	73.2	49%	0.49	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	5.6	-175.4	52.7	0	0	0	0	116	K468	K468-S480 VanDerWaalsContact CE-OG 3.23Å; K468-S480 WeakPolarHBondContact CE-OG 3.37Å; K468-S480 PolarHBondContact NZ-OG 2.93Å
481	S	54	Low	63.9	Low	33 Å²	33	77 Å²	77	23%	0.231	39%	0.391	C	S	.	.			trans	-129.7	67.4	171.4	-160	0	0	0	0	112.4	T479 K483 R484 G485	T479-S481 PolarHBondContact O-N 2.87Å; S481-K483 PolarHBondContact O-N 2.59Å; S481-K483 VanDerWaalsContact O-N 3.13Å; S481-R484 PolarHBondContact O-N 3.1Å; S481-R484 WeakPolarHBondContact OG-CA 3.41Å; S481-R484 WeakPolarHBondContact OG-CB 3.42Å; S481-R484 PolarHBondContact OG-O 3.45Å; S481-G485 PolarHBondContact O-N 3.22Å; S481-G485 PolarHBondContact OG-N 2.76Å; S481-G485 VanDerWaalsContact OG-N 3.17Å
482	P	43.6	Very low	62.6	Low	119 Å²	119	81.8 Å²	81.8	77%	0.773	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.1	-173	-17.4	30.1	0	0	0	114.1
483	K	43.5	Very low	62.2	Low	206 Å²	206	84.8 Å²	84.8	90%	0.896	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-3.5	-178	-67.2	-172.9	177.5	-177.6	0	114.4	S481	S481-K483 PolarHBondContact O-N 2.59Å; S481-K483 VanDerWaalsContact O-N 3.13Å
484	R	42.9	Very low	61.9	Low	187 Å²	187	83 Å²	83	71%	0.706	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.9	26	-176.9	-76.8	-173.3	-179.3	165.3	-0.3	112.4	S481 Y486	S481-R484 PolarHBondContact O-N 3.1Å; S481-R484 WeakPolarHBondContact OG-CA 3.41Å; S481-R484 WeakPolarHBondContact OG-CB 3.42Å; S481-R484 PolarHBondContact OG-O 3.45Å; R484-Y486 HydrophobicContact CB-CE2 4.45Å; R484-Y486 WeakPolarHBondContact O-CD2 3.45Å; R484-Y486 WeakPolarHBondContact O-CE2 3.31Å; R484-Y486 PolarHBondContact O-N 3.24Å
485	G	38.6	Very low	61.8	Low	38 Å²	38	88.2 Å²	88.2	39%	0.392	45%	0.451	S	S	.	.	S	Bend	trans	-64.5	107.8	168.8	0	0	0	0	0	107.8	S481 Y487	S481-G485 PolarHBondContact O-N 3.22Å; S481-G485 PolarHBondContact OG-N 2.76Å; S481-G485 VanDerWaalsContact OG-N 3.17Å; G485-Y487 PolarHBondContact O-N 3.16Å
486	Y	49.5	Very low	62	Low	120 Å²	120	86 Å²	86	47%	0.471	44%	0.439	S	S	.	.			trans	-64.9	120.4	-149.3	-80.4	-103.6	0	0	0	114.6	Y472 R484	Y472-Y486 HydrophobicContact CD2-CD2 4.45Å; Y472-Y486 AromaticContact CE2-CD2 3.35Å; Y472-Y486 HydrophobicContact CE2-CD2 3.35Å; Y472-Y486 AromaticContact CE2-CE2 3.51Å; Y472-Y486 HydrophobicContact CE2-CE2 3.51Å; Y472-Y486 HydrophobicContact CE2-CG 4.22Å; Y472-Y486 AromaticContact CZ-CD2 3.66Å; Y472-Y486 AromaticContact CZ-CE2 3.74Å; Y472-Y486 VanDerWaalsContact OH-CD2 3.3Å; Y472-Y486 WeakPolarHBondContact OH-CD2 3.39Å; Y472-Y486 WeakPolarHBondContact OH-CE1 3.41Å; Y472-Y486 WeakPolarHBondContact OH-CE2 3.22Å; R484-Y486 HydrophobicContact CB-CE2 4.45Å; R484-Y486 WeakPolarHBondContact O-CD2 3.45Å; R484-Y486 WeakPolarHBondContact O-CE2 3.31Å; R484-Y486 PolarHBondContact O-N 3.24Å
487	Y	41.1	Very low	62.3	Low	182 Å²	182	90 Å²	90	71%	0.714	46%	0.457	S	S	*	.			trans	27.9	90.8	151.6	-140.2	-111.3	0	0	0	118.3	G485 P489	G485-Y487 PolarHBondContact O-N 3.16Å; Y487-P489 HydrophobicContact CD1-CB 3.86Å; Y487-P489 HydrophobicContact CD1-CG 3.58Å; Y487-P489 HydrophobicContact CE1-CB 3.26Å; Y487-P489 HydrophobicContact CE1-CG 3.37Å; Y487-P489 VanDerWaalsContact CZ-CA 3.49Å
488	D	45.3	Very low	62.6	Low	59 Å²	59	91.9 Å²	91.9	32%	0.316	47%	0.466	S	S	.	.				-79.7	120.2	125.4	-177.2	-22	0	0	0	105.1	D490 T491	D488-D490 PolarHBondContact O-N 3.18Å; D488-D490 PolarHBondContact OD1-N 3.13Å; D488-T491 PolarHBondContact OD2-OG1 3.42Å
489	P	45.7	Very low	63.3	Low	78 Å²	78	90.7 Å²	90.7	51%	0.506	46%	0.459	S	S	.	.	S	Bend	trans	-51.4	-26.3	177.8	-16.1	20.6	0	0	0	113.5	Y487	Y487-P489 HydrophobicContact CD1-CB 3.86Å; Y487-P489 HydrophobicContact CD1-CG 3.58Å; Y487-P489 HydrophobicContact CE1-CB 3.26Å; Y487-P489 HydrophobicContact CE1-CG 3.37Å; Y487-P489 VanDerWaalsContact CZ-CA 3.49Å
490	D	49	Very low	64.4	Low	140 Å²	140	88 Å²	88	75%	0.749	44%	0.443	S	S	*	.	S	Bend	trans	-106	-17.4	-165.1	-61.7	-38	0	0	0	113.3	D488	D488-D490 PolarHBondContact O-N 3.18Å; D488-D490 PolarHBondContact OD1-N 3.13Å
491	T	57	Low	66	Low	78 Å²	78	89.1 Å²	89.1	48%	0.479	44%	0.436	S	S	.	.			trans	-154.6	157.8	-179.7	66.2	0	0	0	0	116.1	D488 Y493	D488-T491 PolarHBondContact OD2-OG1 3.42Å; T491-Y493 VanDerWaalsContact C-N 3.3Å; T491-Y493 PolarHBondContact OG1-O 3.3Å
492	V	64.5	Low	68	Low	102 Å²	102	88.9 Å²	88.9	62%	0.618	43%	0.43	S	S	*	.	S	Bend	trans	-79.6	-13.1	175.8	179.5	0	0	0	0	112.7	K436	K436-V492 PolarHBondContact NZ-O 2.85Å
493	Y	77.3	Confident	70.4	Confident	128 Å²	128	83.2 Å²	83.2	50%	0.502	39%	0.393	S	S	.	.	S	Bend	trans	-121.3	150.2	-168.7	-55	-58.4	0	0	0	110.8	G434 K435 T491	G434-Y493 WeakPolarHBondContact O-CA 3.5Å; K435-Y493 HydrophobicContact CB-CD1 4.25Å; K435-Y493 WeakPolarHBondContact O-CD1 3.41Å; K435-Y493 VanDerWaalsContact O-CE1 3.24Å; K435-Y493 WeakPolarHBondContact O-CE1 3.38Å; T491-Y493 VanDerWaalsContact C-N 3.3Å; T491-Y493 PolarHBondContact OG1-O 3.3Å
494	I	84.5	Confident	73	Confident	22 Å²	22	73.5 Å²	73.5	11%	0.113	35%	0.351	C	S	.	.			trans	-106.6	132.1	175.2	-57.4	166.7	0	0	0	107.2	G434 P477 E498 L499 R502	G434-I494 CarbonylContact C-O 3.59Å; G434-I494 WeakPolarHBondContact CA-O 3.26Å; G434-I494 PolarHBondContact O-N 3.43Å; P477-I494 HydrophobicContact CG-CD1 4.17Å; I494-E498 HydrophobicContact CG2-CB 3.97Å; I494-E498 HydrophobicContact CG2-CG 3.7Å; I494-L499 HydrophobicContact CG2-CB 3.95Å; I494-R502 VanDerWaalsContact CD1-NH1 3.31Å
495	H	90.2	Very high	75.6	Confident	122 Å²	122	67 Å²	67	57%	0.565	33%	0.329	S	S	*	.			trans	-63.5	145.6	171.9	-164.1	-83	0	0	0	109.7	E497 E498 L499	H495-E497 PolarHBondContact ND1-N 2.92Å; H495-E497 PolarHBondContact O-N 2.96Å; H495-E498 HydrophobicContact CB-CB 4.3Å; H495-E498 WeakPolarHBondContact O-CB 3.17Å; H495-E498 PolarHBondContact O-N 3.4Å; H495-E498 VanDerWaalsContact O-N 3.07Å; H495-L499 PolarHBondContact O-N 3.44Å
496	D	91.8	Very high	78.3	Confident	23 Å²	23	65.2 Å²	65.2	12%	0.123	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-43.8	-176.4	51.1	8.4	0	0	0	113.6	M426 M430 E431 E498 L499 L500	M426-D496 HydrophobicContact CG-CB 4.07Å; M426-D496 VanDerWaalsContact CG-OD2 3.23Å; M426-D496 WeakPolarHBondContact CG-OD2 3.2Å; M426-D496 HydrophobicContact SD-CB 4.04Å; M430-D496 HydrophobicContact CB-CB 3.84Å; E431-D496 HydrophobicContact CB-CB 4.29Å; D496-E498 VanDerWaalsContact C-N 3.33Å; D496-E498 PolarHBondContact O-N 3.39Å; D496-L499 WeakPolarHBondContact O-CB 3.48Å; D496-L499 PolarHBondContact O-N 3.06Å; D496-L500 PolarHBondContact O-N 3.35Å
497	E	93.9	Very high	80.6	Confident	92 Å²	92	59.5 Å²	59.5	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-58.4	-42.7	173.3	-63.9	-174.1	174.2	0	0	112.2	M426 H495 L500 R501 W548	M426-E497 HydrophobicContact CE-CB 4.41Å; M426-E497 HydrophobicContact CE-CG 3.83Å; H495-E497 PolarHBondContact ND1-N 2.92Å; H495-E497 PolarHBondContact O-N 2.96Å; E497-L500 PolarHBondContact O-N 3.38Å; E497-R501 WeakPolarHBondContact O-CB 3.46Å; E497-R501 PolarHBondContact O-N 3.18Å; E497-W548 HydrophobicContact CB-CB 4.23Å; E497-W548 HydrophobicContact CG-CB 3.75Å; E497-W548 HydrophobicContact CG-CG 4.14Å
498	E	92.1	Very high	83.3	Confident	48 Å²	48	51 Å²	51	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-39.1	177.5	172.4	57.8	-165.3	0	0	111.4	I494 H495 D496 R501 R502	I494-E498 HydrophobicContact CG2-CB 3.97Å; I494-E498 HydrophobicContact CG2-CG 3.7Å; H495-E498 HydrophobicContact CB-CB 4.3Å; H495-E498 WeakPolarHBondContact O-CB 3.17Å; H495-E498 PolarHBondContact O-N 3.4Å; H495-E498 VanDerWaalsContact O-N 3.07Å; D496-E498 VanDerWaalsContact C-N 3.33Å; D496-E498 PolarHBondContact O-N 3.39Å; E498-R501 PolarHBondContact O-N 3.02Å; E498-R501 IonicContact OE1-CZ 3.98Å; E498-R501 IonicContact OE1-NE 3.15Å; E498-R501 IonicContact OE1-NH2 2.76Å; E498-R501 PolarHBondContact OE1-NH2 3.23Å; E498-R501 IonicContact OE2-CZ 3.39Å; E498-R501 IonicContact OE2-NE 2.63Å; E498-R501 PolarHBondContact OE2-NE 3.3Å; E498-R501 IonicContact OE2-NH2 3.23Å; E498-R501 PolarHBondContact OE2-NH2 2.85Å; E498-R502 WeakPolarHBondContact O-CG 3.47Å; E498-R502 PolarHBondContact O-N 3.26Å; E498-R502 IonicContact OE1-CZ 2.73Å; E498-R502 IonicContact OE1-NE 3.8Å; E498-R502 PolarHBondContact OE1-NE 3.22Å; E498-R502 IonicContact OE1-NH2 3.63Å; E498-R502 PolarHBondContact OE1-NH2 3.34Å
499	L	92.7	Very high	85.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-47	174.9	174.7	56.8	0	0	0	110.9	M430 A433 F448 L476 P477 I494 H495 D496 R501 R502 L503	M430-L499 HydrophobicContact CE-CB 4.42Å; M430-L499 HydrophobicContact CE-CD2 3.76Å; M430-L499 HydrophobicContact CE-CG 3.72Å; A433-L499 HydrophobicContact CB-CD2 3.74Å; F448-L499 HydrophobicContact CD1-CD1 4.37Å; F448-L499 HydrophobicContact CE1-CD1 3.99Å; F448-L499 HydrophobicContact CE1-CD2 4.48Å; F448-L499 HydrophobicContact CE1-CG 4.31Å; F448-L499 HydrophobicContact CE2-CD1 4.27Å; F448-L499 HydrophobicContact CE2-CD2 3.99Å; F448-L499 HydrophobicContact CZ-CD1 3.95Å; F448-L499 HydrophobicContact CZ-CD2 3.71Å; F448-L499 HydrophobicContact CZ-CG 4.01Å; L476-L499 HydrophobicContact CD2-CD1 3.93Å; P477-L499 HydrophobicContact CG-CD1 3.74Å; P477-L499 HydrophobicContact CG-CD2 4.31Å; I494-L499 HydrophobicContact CG2-CB 3.95Å; H495-L499 PolarHBondContact O-N 3.44Å; D496-L499 WeakPolarHBondContact O-CB 3.48Å; D496-L499 PolarHBondContact O-N 3.06Å; L499-R501 VanDerWaalsContact C-N 3.33Å; L499-R501 PolarHBondContact O-N 3.46Å; L499-R502 PolarHBondContact O-N 3.15Å; L499-L503 PolarHBondContact O-N 2.86Å
500	L	94.6	Very high	88.2	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-38.5	177.7	-169.3	63.4	0	0	0	111.5	M403 L407 F417 M426 M430 D496 E497 R502 L503 D504 W548	M403-L500 HydrophobicContact CE-CD2 3.99Å; M403-L500 HydrophobicContact CE-CG 3.83Å; M403-L500 HydrophobicContact SD-CD2 3.72Å; M403-L500 HydrophobicContact SD-CG 3.94Å; L407-L500 HydrophobicContact CD2-CD2 4.38Å; F417-L500 HydrophobicContact CE1-CD1 4.25Å; F417-L500 HydrophobicContact CE1-CD2 4.02Å; F417-L500 HydrophobicContact CZ-CD1 4.07Å; M426-L500 HydrophobicContact CE-CD2 3.99Å; M426-L500 HydrophobicContact SD-CD2 4.49Å; M430-L500 HydrophobicContact CE-CB 4.34Å; M430-L500 HydrophobicContact CE-CD1 4.26Å; D496-L500 PolarHBondContact O-N 3.35Å; E497-L500 PolarHBondContact O-N 3.38Å; L500-R502 PolarHBondContact O-N 2.93Å; L500-L503 HydrophobicContact CD1-CD2 4.42Å; L500-L503 WeakPolarHBondContact O-CB 3.22Å; L500-L503 PolarHBondContact O-N 3.39Å; L500-D504 WeakPolarHBondContact O-CB 3.2Å; L500-D504 PolarHBondContact O-N 3.43Å; L500-W548 HydrophobicContact CD2-CE3 3.7Å; L500-W548 HydrophobicContact CD2-CH2 4.24Å; L500-W548 HydrophobicContact CD2-CZ3 3.45Å; L500-W548 VanDerWaalsContact CD2-CZ3 3.45Å
501	R	95	Very high	90.4	Very high	93 Å²	93	39.1 Å²	39.1	35%	0.351	19%	0.187	S	C	.	.	H	α-helix	trans	-63.7	-37	174.2	-168.2	-168.3	69.6	116.7	1.7	112.7	E497 E498 L499 K505	E497-R501 WeakPolarHBondContact O-CB 3.46Å; E497-R501 PolarHBondContact O-N 3.18Å; E498-R501 PolarHBondContact O-N 3.02Å; E498-R501 IonicContact OE1-CZ 3.98Å; E498-R501 IonicContact OE1-NE 3.15Å; E498-R501 IonicContact OE1-NH2 2.76Å; E498-R501 PolarHBondContact OE1-NH2 3.23Å; E498-R501 IonicContact OE2-CZ 3.39Å; E498-R501 IonicContact OE2-NE 2.63Å; E498-R501 PolarHBondContact OE2-NE 3.3Å; E498-R501 IonicContact OE2-NH2 3.23Å; E498-R501 PolarHBondContact OE2-NH2 2.85Å; L499-R501 VanDerWaalsContact C-N 3.33Å; L499-R501 PolarHBondContact O-N 3.46Å; R501-K505 WeakPolarHBondContact O-CG 3.15Å; R501-K505 PolarHBondContact O-N 3.49Å
502	R	94.6	Very high	92.4	Very high	28 Å²	28	35.4 Å²	35.4	11%	0.106	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-39.1	173.7	-71.5	175.4	-168.2	-167.9	5.3	111.6	Y474 N475 L476 I494 E498 L499 L500 K505 F506	Y474-R502 WeakPolarHBondContact O-CD 3.24Å; N475-R502 WeakPolarHBondContact O-CD 3.28Å; N475-R502 PolarHBondContact O-NH1 3.05Å; L476-R502 HydrophobicContact CD2-CB 3.65Å; I494-R502 VanDerWaalsContact CD1-NH1 3.31Å; E498-R502 WeakPolarHBondContact O-CG 3.47Å; E498-R502 PolarHBondContact O-N 3.26Å; E498-R502 IonicContact OE1-CZ 2.73Å; E498-R502 IonicContact OE1-NE 3.8Å; E498-R502 PolarHBondContact OE1-NE 3.22Å; E498-R502 IonicContact OE1-NH2 3.63Å; E498-R502 PolarHBondContact OE1-NH2 3.34Å; L499-R502 PolarHBondContact O-N 3.15Å; L500-R502 PolarHBondContact O-N 2.93Å; R502-K505 PolarHBondContact O-N 3.49Å; R502-F506 PolarHBondContact O-N 2.7Å
503	L	95.2	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-43.5	175.2	-170.7	65.4	0	0	0	111.7	L406 I410 F448 T452 I456 L476 L499 L500 F506 A507	L406-L503 HydrophobicContact CD1-CB 4.47Å; L406-L503 HydrophobicContact CD1-CD2 4.37Å; L406-L503 HydrophobicContact CD1-CG 4.07Å; L406-L503 HydrophobicContact CD2-CD2 4.14Å; L406-L503 HydrophobicContact CD2-CG 4.19Å; I410-L503 HydrophobicContact CG1-CD2 4.42Å; F448-L503 HydrophobicContact CD1-CD1 4.3Å; F448-L503 HydrophobicContact CE1-CD2 4.37Å; T452-L503 HydrophobicContact CG2-CD1 3.79Å; I456-L503 HydrophobicContact CD1-CD1 3.62Å; I456-L503 HydrophobicContact CD1-CG 4.42Å; L476-L503 HydrophobicContact CD1-CD1 4.21Å; L499-L503 PolarHBondContact O-N 2.86Å; L500-L503 HydrophobicContact CD1-CD2 4.42Å; L500-L503 WeakPolarHBondContact O-CB 3.22Å; L500-L503 PolarHBondContact O-N 3.39Å; L503-F506 PolarHBondContact O-N 3.43Å; L503-A507 WeakPolarHBondContact O-CB 3.24Å; L503-A507 PolarHBondContact O-N 2.97Å
504	D	97.5	Very high	95	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.011	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-46.2	172.8	164.6	73.7	0	0	0	112.1	N400 A402 M403 L406 L500 F506 A507 G508	N400-D504 VanDerWaalsContact C-OD1 3.28Å; N400-D504 VanDerWaalsContact CA-OD2 3.31Å; N400-D504 WeakPolarHBondContact CA-OD2 3.34Å; N400-D504 WeakPolarHBondContact CB-OD2 3.42Å; N400-D504 PolarHBondContact ND2-OD2 3.13Å; A402-D504 WeakPolarHBondContact CA-OD1 3.48Å; A402-D504 PolarHBondContact N-OD1 3.32Å; M403-D504 HydrophobicContact CE-CB 3.99Å; M403-D504 PolarHBondContact N-OD1 3.49Å; L406-D504 VanDerWaalsContact CD1-CA 3.5Å; L406-D504 HydrophobicContact CD1-CB 4.01Å; L500-D504 WeakPolarHBondContact O-CB 3.2Å; L500-D504 PolarHBondContact O-N 3.43Å; D504-F506 PolarHBondContact O-N 3.12Å; D504-A507 PolarHBondContact O-N 3.19Å; D504-G508 WeakPolarHBondContact O-CA 3.48Å; D504-G508 PolarHBondContact O-N 2.99Å
505	K	97.2	Very high	95.6	Very high	52 Å²	52	24 Å²	24	23%	0.226	11%	0.109	C	C	.	.	H	α-helix	trans	-59.2	-44.6	174.8	-76.5	175.5	173.9	-174	0	112.8	Y474 R501 R502 D509	Y474-K505 HydrophobicContact CD1-CB 3.99Å; Y474-K505 HydrophobicContact CE1-CB 3.92Å; R501-K505 WeakPolarHBondContact O-CG 3.15Å; R501-K505 PolarHBondContact O-N 3.49Å; R502-K505 PolarHBondContact O-N 3.49Å; K505-D509 WeakPolarHBondContact O-CB 3.42Å; K505-D509 PolarHBondContact O-N 3.27Å; K505-D509 VanDerWaalsContact O-OD2 3.14Å
506	F	96.6	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.3	-63.9	176.5	180	160.6	0	0	0	109.4	T452 I456 L457 P470 Y474 L476 R502 L503 D504 G508 D509 L510 W650	T452-F506 HydrophobicContact CG2-CD1 3.97Å; T452-F506 HydrophobicContact CG2-CE1 3.57Å; T452-F506 HydrophobicContact CG2-CZ 4.27Å; I456-F506 HydrophobicContact CB-CE2 4.43Å; I456-F506 HydrophobicContact CG2-CD2 3.94Å; I456-F506 HydrophobicContact CG2-CE2 3.54Å; I456-F506 HydrophobicContact CG2-CZ 4.13Å; L457-F506 HydrophobicContact CD2-CE2 3.81Å; L457-F506 HydrophobicContact CD2-CZ 3.69Å; L457-F506 HydrophobicContact CG-CZ 4.06Å; P470-F506 HydrophobicContact CB-CD1 4.3Å; P470-F506 HydrophobicContact CB-CE1 3.48Å; P470-F506 VanDerWaalsContact CB-CE1 3.48Å; P470-F506 HydrophobicContact CB-CE2 3.9Å; P470-F506 HydrophobicContact CB-CZ 3.27Å; P470-F506 HydrophobicContact CG-CZ 4.24Å; Y474-F506 HydrophobicContact CD1-CB 3.9Å; Y474-F506 HydrophobicContact CD2-CB 3.75Å; Y474-F506 AromaticContact CD2-CD1 3.97Å; Y474-F506 HydrophobicContact CD2-CD1 3.97Å; Y474-F506 HydrophobicContact CD2-CD2 4.45Å; Y474-F506 AromaticContact CD2-CG 3.78Å; Y474-F506 HydrophobicContact CD2-CG 3.78Å; Y474-F506 HydrophobicContact CE1-CB 4.23Å; Y474-F506 HydrophobicContact CE2-CB 4.11Å; Y474-F506 HydrophobicContact CE2-CD2 4.43Å; Y474-F506 HydrophobicContact CE2-CG 4.14Å; Y474-F506 HydrophobicContact CG-CB 3.66Å; Y474-F506 HydrophobicContact CG-CD1 4.32Å; Y474-F506 HydrophobicContact CG-CG 4.16Å; L476-F506 HydrophobicContact CD1-CD1 3.81Å; L476-F506 HydrophobicContact CD1-CE1 4.34Å; R502-F506 PolarHBondContact O-N 2.7Å; L503-F506 PolarHBondContact O-N 3.43Å; D504-F506 PolarHBondContact O-N 3.12Å; F506-G508 VanDerWaalsContact C-N 3.29Å; F506-G508 PolarHBondContact O-N 3.4Å; F506-D509 PolarHBondContact O-N 3.14Å; F506-L510 HydrophobicContact CE2-CD2 4.28Å; F506-L510 WeakPolarHBondContact O-CB 3.43Å; F506-L510 PolarHBondContact O-N 3.36Å; F506-L510 VanDerWaalsContact O-N 3.1Å; F506-W650 AromaticContact CD2-CH2 3.98Å; F506-W650 HydrophobicContact CD2-CH2 3.98Å; F506-W650 AromaticContact CD2-CZ2 3.54Å; F506-W650 HydrophobicContact CD2-CZ2 3.54Å; F506-W650 AromaticContact CE2-CH2 3.41Å; F506-W650 HydrophobicContact CE2-CH2 3.41Å; F506-W650 VanDerWaalsContact CE2-CH2 3.41Å; F506-W650 AromaticContact CE2-CZ2 3.49Å; F506-W650 HydrophobicContact CE2-CZ2 3.49Å; F506-W650 VanDerWaalsContact CE2-CZ2 3.49Å; F506-W650 HydrophobicContact CG-CZ2 4.45Å; F506-W650 HydrophobicContact CZ-CH2 4.05Å; F506-W650 HydrophobicContact CZ-CZ2 4.36Å
507	A	97.1	Very high	96.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-41.9	-174.8	0	0	0	0	0	111.9	Y359 A402 L406 I456 L503 D504 L510 D511	Y359-A507 HydrophobicContact CE1-CB 3.96Å; Y359-A507 HydrophobicContact CE2-CB 4.15Å; Y359-A507 PolarHBondContact OH-O 2.65Å; A402-A507 HydrophobicContact CB-CB 3.43Å; A402-A507 VanDerWaalsContact CB-CB 3.43Å; L406-A507 HydrophobicContact CD1-CB 4.3Å; L406-A507 HydrophobicContact CD2-CB 4.23Å; L406-A507 HydrophobicContact CG-CB 4.45Å; I456-A507 HydrophobicContact CD1-CB 4.26Å; I456-A507 HydrophobicContact CG2-CB 4.48Å; L503-A507 WeakPolarHBondContact O-CB 3.24Å; L503-A507 PolarHBondContact O-N 2.97Å; D504-A507 PolarHBondContact O-N 3.19Å; A507-L510 PolarHBondContact O-N 2.67Å; A507-D511 WeakPolarHBondContact O-CB 3.44Å; A507-D511 PolarHBondContact O-N 3.2Å
508	G	97.8	Very high	96.3	Very high	4 Å²	4	14.3 Å²	14.3	4%	0.041	7%	0.065	C	C	.	.	H	α-helix	trans	-68.9	-41.6	-177.6	0	0	0	0	0	112.9	A402 D504 F506 F512 A513	A402-G508 VanDerWaalsContact CB-N 3.31Å; D504-G508 WeakPolarHBondContact O-CA 3.48Å; D504-G508 PolarHBondContact O-N 2.99Å; F506-G508 VanDerWaalsContact C-N 3.29Å; F506-G508 PolarHBondContact O-N 3.4Å; G508-F512 CarbonylContact O-C 3.42Å; G508-F512 WeakPolarHBondContact O-CA 3.37Å; G508-F512 WeakPolarHBondContact O-CB 3.48Å; G508-F512 PolarHBondContact O-N 3.07Å; G508-A513 PolarHBondContact O-N 2.85Å
509	D	97.8	Very high	96.6	Very high	3 Å²	3	12 Å²	12	2%	0.016	5%	0.054	C	C	.	.	I	π-helix	trans	-64.4	-44.3	174.1	-72.2	-24.4	0	0	0	111.3	Y474 K505 F506 C514 P515 H643 R646	Y474-D509 VanDerWaalsContact CE1-OD2 3.28Å; Y474-D509 WeakPolarHBondContact CE1-OD2 3.2Å; Y474-D509 WeakPolarHBondContact OH-CB 3.06Å; Y474-D509 PolarHBondContact OH-OD2 2.98Å; K505-D509 WeakPolarHBondContact O-CB 3.42Å; K505-D509 PolarHBondContact O-N 3.27Å; K505-D509 VanDerWaalsContact O-OD2 3.14Å; F506-D509 PolarHBondContact O-N 3.14Å; D509-C514 WeakPolarHBondContact O-CB 3.48Å; D509-C514 PolarHBondContact O-N 2.97Å; D509-C514 PolarHBondContact O-SG 2.93Å; D509-P515 WeakPolarHBondContact O-CD 3.48Å; D509-H643 IonicContact OD1-CE1 3.04Å; D509-H643 IonicContact OD1-CG 3.96Å; D509-H643 IonicContact OD1-ND1 2.93Å; D509-H643 PolarHBondContact OD1-ND1 3.32Å; D509-H643 VanDerWaalsContact OD1-ND1 3.08Å; D509-R646 IonicContact OD1-CZ 3.6Å; D509-R646 IonicContact OD1-NE 2.97Å; D509-R646 PolarHBondContact OD1-NE 3.02Å; D509-R646 IonicContact OD1-NH2 3.55Å; D509-R646 PolarHBondContact OD1-NH2 3.25Å; D509-R646 WeakPolarHBondContact OD2-CB 3.48Å; D509-R646 VanDerWaalsContact OD2-CD 3.31Å; D509-R646 WeakPolarHBondContact OD2-CD 3.39Å; D509-R646 IonicContact OD2-CZ 2.98Å; D509-R646 IonicContact OD2-NE 3.22Å; D509-R646 PolarHBondContact OD2-NE 3.13Å; D509-R646 IonicContact OD2-NH2 3.55Å; D509-R646 PolarHBondContact OD2-NH2 2.86Å
510	L	95.8	Very high	96.8	Very high	23 Å²	23	12 Å²	12	12%	0.12	5%	0.054	C	C	.	.	I	π-helix	trans	-63.7	-46	-178.8	179.2	61.6	0	0	0	112	I456 L457 F506 A507 P515 W650	I456-L510 HydrophobicContact CG2-CD2 3.9Å; L457-L510 HydrophobicContact CD2-CD2 4.34Å; F506-L510 HydrophobicContact CE2-CD2 4.28Å; F506-L510 WeakPolarHBondContact O-CB 3.43Å; F506-L510 PolarHBondContact O-N 3.36Å; F506-L510 VanDerWaalsContact O-N 3.1Å; A507-L510 PolarHBondContact O-N 2.67Å; L510-P515 WeakPolarHBondContact O-CD 3.18Å; L510-P515 VanDerWaalsContact O-CG 3.3Å; L510-P515 WeakPolarHBondContact O-CG 3.34Å; L510-W650 HydrophobicContact CB-CZ2 4.2Å; L510-W650 HydrophobicContact CD1-CD2 3.94Å; L510-W650 HydrophobicContact CD1-CE3 3.72Å; L510-W650 HydrophobicContact CD1-CH2 4.22Å; L510-W650 HydrophobicContact CD1-CZ2 4.44Å; L510-W650 HydrophobicContact CD1-CZ3 3.87Å; L510-W650 HydrophobicContact CD2-CH2 4.3Å
511	D	95.9	Very high	96.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-99.1	-23	-167.3	-67.4	-31.4	0	0	0	114.8	R271 W272 Y359 A507	R271-D511 WeakPolarHBondContact CD-OD1 3.45Å; R271-D511 WeakPolarHBondContact CG-OD1 3.25Å; R271-D511 IonicContact CZ-OD1 3.83Å; R271-D511 IonicContact CZ-OD2 3.08Å; R271-D511 IonicContact NE-OD1 2.77Å; R271-D511 PolarHBondContact NE-OD1 3.2Å; R271-D511 IonicContact NE-OD2 3.7Å; R271-D511 IonicContact NH2-OD1 2.66Å; R271-D511 PolarHBondContact NH2-OD1 3.31Å; R271-D511 IonicContact NH2-OD2 2.68Å; R271-D511 PolarHBondContact NH2-OD2 3.44Å; W272-D511 PolarHBondContact NE1-O 3.01Å; Y359-D511 WeakPolarHBondContact CE1-OD2 3.27Å; Y359-D511 PolarHBondContact OH-OD2 2.98Å; A507-D511 WeakPolarHBondContact O-CB 3.44Å; A507-D511 PolarHBondContact O-N 3.2Å
512	F	98.1	Very high	96.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-127.4	-60.8	-173.4	-60.1	-82	0	0	0	111.3	W272 F360 E401 F405 G508 T516 H553	W272-F512 AromaticContact CE2-CE1 3.89Å; W272-F512 HydrophobicContact CH2-CE1 4.25Å; W272-F512 AromaticContact CZ2-CD1 3.65Å; W272-F512 HydrophobicContact CZ2-CD1 3.65Å; W272-F512 AromaticContact CZ2-CE1 3.45Å; W272-F512 HydrophobicContact CZ2-CE1 3.45Å; W272-F512 VanDerWaalsContact CZ2-CE1 3.45Å; W272-F512 HydrophobicContact CZ2-CZ 4.41Å; F360-F512 HydrophobicContact CD1-CE2 4.43Å; F360-F512 AromaticContact CD1-CZ 3.91Å; F360-F512 HydrophobicContact CD1-CZ 3.91Å; F360-F512 HydrophobicContact CE1-CE1 4.23Å; F360-F512 AromaticContact CE1-CZ 3.72Å; F360-F512 HydrophobicContact CE1-CZ 3.72Å; F360-F512 HydrophobicContact CZ-CZ 4.19Å; E401-F512 HydrophobicContact CB-CB 3.73Å; E401-F512 HydrophobicContact CB-CD2 3.94Å; E401-F512 HydrophobicContact CB-CG 4Å; E401-F512 HydrophobicContact CG-CB 3.88Å; F405-F512 AromaticContact CD2-CE2 3.82Å; F405-F512 HydrophobicContact CD2-CE2 3.82Å; F405-F512 AromaticContact CD2-CZ 3.69Å; F405-F512 HydrophobicContact CD2-CZ 3.69Å; F405-F512 AromaticContact CE2-CE1 3.95Å; F405-F512 HydrophobicContact CE2-CE1 3.95Å; F405-F512 AromaticContact CE2-CE2 3.78Å; F405-F512 HydrophobicContact CE2-CE2 3.78Å; F405-F512 AromaticContact CE2-CZ 3.25Å; F405-F512 HydrophobicContact CE2-CZ 3.25Å; F405-F512 HydrophobicContact CZ-CE1 4.34Å; F405-F512 AromaticContact CZ-CZ 3.87Å; F405-F512 HydrophobicContact CZ-CZ 3.87Å; G508-F512 CarbonylContact O-C 3.42Å; G508-F512 WeakPolarHBondContact O-CA 3.37Å; G508-F512 WeakPolarHBondContact O-CB 3.48Å; G508-F512 PolarHBondContact O-N 3.07Å; F512-T516 WeakPolarHBondContact O-CB 3.36Å; F512-T516 PolarHBondContact O-N 3.04Å; F512-T516 VanDerWaalsContact O-N 3.12Å; F512-T516 PolarHBondContact O-OG1 3.12Å; F512-H553 AromaticContact CD1-CE1 3.27Å; F512-H553 WeakPolarHBondContact CD1-CE1 3.37Å; F512-H553 AromaticContact CD1-ND1 3.8Å; F512-H553 AromaticContact CE1-CE1 3.3Å; F512-H553 WeakPolarHBondContact CE1-CE1 3.41Å; F512-H553 AromaticContact CE1-ND1 3.94Å; F512-H553 AromaticContact CE1-NE2 3.64Å
513	A	98.2	Very high	96.9	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.008	5%	0.047	C	C	.	.	I	π-helix	trans	-70.6	-53.1	-166	0	0	0	0	0	112.8	V397 G508 T516 L517	V397-A513 HydrophobicContact CB-CB 4.43Å; V397-A513 HydrophobicContact CG1-CB 4.1Å; V397-A513 HydrophobicContact CG2-CB 4.47Å; G508-A513 PolarHBondContact O-N 2.85Å; A513-T516 PolarHBondContact O-N 3.36Å; A513-L517 WeakPolarHBondContact O-CB 3.3Å; A513-L517 WeakPolarHBondContact O-CG 3.47Å; A513-L517 PolarHBondContact O-N 2.7Å
514	C	97.9	Very high	96.8	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.007	6%	0.055	C	C	.	.	H	α-helix	trans	-68.7	-37.9	-176.5	-61.7	0	0	0	0	114.1	D509 T516 L517 N518 C647	D509-C514 WeakPolarHBondContact O-CB 3.48Å; D509-C514 PolarHBondContact O-N 2.97Å; D509-C514 PolarHBondContact O-SG 2.93Å; C514-T516 VanDerWaalsContact C-N 3.32Å; C514-T516 PolarHBondContact O-N 3.01Å; C514-L517 PolarHBondContact O-N 3.48Å; C514-N518 WeakPolarHBondContact O-CB 3.32Å; C514-N518 PolarHBondContact O-N 3.03Å; C514-C647 WeakPolarHBondContact CA-SG 3.06Å; C514-C647 HydrophobicContact CB-CB 3.66Å; C514-C647 WeakPolarHBondContact CB-SG 2.9Å; C514-C647 WeakPolarHBondContact SG-CA 3.3Å; C514-C647 WeakPolarHBondContact SG-CB 3.36Å; C514-C647 CovalentContact SG-SG 2.06Å; C514-C647 PolarHBondContact SG-SG 3.35Å
515	P	97.3	Very high	96.6	Very high	10 Å²	10	14.3 Å²	14.3	7%	0.065	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-39.2	169.2	-26.4	35.4	0	0	0	113.8	S267 A270 D509 L510 F519	S267-P515 VanDerWaalsContact OG-C 3.24Å; S267-P515 PolarHBondContact OG-O 2.72Å; A270-P515 HydrophobicContact CB-CB 4.06Å; A270-P515 HydrophobicContact CB-CG 4.38Å; D509-P515 WeakPolarHBondContact O-CD 3.48Å; L510-P515 WeakPolarHBondContact O-CD 3.18Å; L510-P515 VanDerWaalsContact O-CG 3.3Å; L510-P515 WeakPolarHBondContact O-CG 3.34Å; P515-F519 PolarHBondContact O-N 3.01Å; P515-F519 VanDerWaalsContact O-N 3.16Å
516	T	98.4	Very high	96.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.9	-44.8	177.1	-60.7	0	0	0	0	111.1	G266 I395 V397 F512 A513 C514 F519 A520	G266-T516 WeakPolarHBondContact CA-OG1 3.48Å; G266-T516 PolarHBondContact N-OG1 3.29Å; I395-T516 HydrophobicContact CD1-CG2 3.67Å; I395-T516 VanDerWaalsContact CD1-O 3.32Å; I395-T516 WeakPolarHBondContact CD1-O 3.36Å; I395-T516 HydrophobicContact CG1-CG2 3.51Å; V397-T516 HydrophobicContact CG1-CG2 3.84Å; F512-T516 WeakPolarHBondContact O-CB 3.36Å; F512-T516 PolarHBondContact O-N 3.04Å; F512-T516 VanDerWaalsContact O-N 3.12Å; F512-T516 PolarHBondContact O-OG1 3.12Å; A513-T516 PolarHBondContact O-N 3.36Å; C514-T516 VanDerWaalsContact C-N 3.32Å; C514-T516 PolarHBondContact O-N 3.01Å; T516-F519 PolarHBondContact O-N 2.78Å; T516-A520 PolarHBondContact O-N 2.92Å; T516-A520 VanDerWaalsContact O-N 3.13Å
517	L	97	Very high	96.2	Very high	13 Å²	13	15.6 Å²	15.6	7%	0.068	8%	0.083	C	C	.	.	H	α-helix	trans	-67.9	-37.6	177.8	-66.3	171.9	0	0	0	112.5	A513 C514 F519 A520 E521 L533 L642 H643	A513-L517 WeakPolarHBondContact O-CB 3.3Å; A513-L517 WeakPolarHBondContact O-CG 3.47Å; A513-L517 PolarHBondContact O-N 2.7Å; C514-L517 PolarHBondContact O-N 3.48Å; L517-F519 VanDerWaalsContact C-N 3.31Å; L517-F519 PolarHBondContact O-N 2.87Å; L517-A520 WeakPolarHBondContact O-CB 3.43Å; L517-A520 PolarHBondContact O-N 3.43Å; L517-E521 PolarHBondContact O-N 3.23Å; L517-L533 HydrophobicContact CD2-CD1 3.59Å; L517-L533 HydrophobicContact CD2-CD2 3.64Å; L517-L533 HydrophobicContact CD2-CG 4.26Å; L517-L642 HydrophobicContact CD1-CG 4.46Å; L517-L642 WeakPolarHBondContact CD1-O 3.28Å; L517-L642 HydrophobicContact CD2-CD2 4.18Å; L517-H643 HydrophobicContact CD1-CB 3.87Å
518	N	96.2	Very high	96	Very high	21 Å²	21	21.1 Å²	21.1	11%	0.112	11%	0.112	C	C	.	.	H	α-helix	trans	-58.8	-44.6	172.6	-176.1	27.7	0	0	0	110.7	Y269 C514 A520 E521 Q522 L651	Y269-N518 HydrophobicContact CD2-CB 4.45Å; C514-N518 WeakPolarHBondContact O-CB 3.32Å; C514-N518 PolarHBondContact O-N 3.03Å; N518-A520 VanDerWaalsContact C-N 3.34Å; N518-A520 PolarHBondContact O-N 3.42Å; N518-E521 WeakPolarHBondContact O-CB 3.36Å; N518-E521 PolarHBondContact O-N 3.31Å; N518-Q522 WeakPolarHBondContact O-CG 3.45Å; N518-Q522 PolarHBondContact O-N 2.86Å; N518-Q522 PolarHBondContact OD1-NE2 3.05Å; N518-L651 HydrophobicContact CB-CD1 3.83Å; N518-L651 HydrophobicContact CB-CD2 4.15Å
519	F	97.4	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-42.6	176.2	-169.8	-95.5	0	0	0	112.2	W249 L263 L268 Y269 F381 L393 I395 P515 T516 L517 E521 Q522 V523	W249-F519 HydrophobicContact CD2-CZ 4.32Å; W249-F519 AromaticContact CE3-CZ 3.83Å; W249-F519 HydrophobicContact CE3-CZ 3.83Å; W249-F519 HydrophobicContact CZ3-CZ 4.26Å; L263-F519 HydrophobicContact CD2-CD1 3.62Å; L263-F519 HydrophobicContact CD2-CE1 3.6Å; L263-F519 HydrophobicContact CD2-CG 4.45Å; L263-F519 HydrophobicContact CD2-CZ 4.42Å; L268-F519 HydrophobicContact CD1-CD2 3.96Å; L268-F519 HydrophobicContact CD1-CE2 4.23Å; L268-F519 HydrophobicContact CD2-CE2 4.03Å; L268-F519 HydrophobicContact CG-CD2 4.05Å; L268-F519 HydrophobicContact CG-CE2 4Å; Y269-F519 HydrophobicContact CD2-CB 4.02Å; Y269-F519 HydrophobicContact CD2-CD2 4.09Å; Y269-F519 HydrophobicContact CE2-CD2 4.13Å; F381-F519 HydrophobicContact CE2-CD2 4.31Å; F381-F519 HydrophobicContact CE2-CE2 4.11Å; F381-F519 HydrophobicContact CZ-CD2 4.15Å; F381-F519 AromaticContact CZ-CE2 3.78Å; F381-F519 HydrophobicContact CZ-CE2 3.78Å; F381-F519 HydrophobicContact CZ-CZ 4.38Å; L393-F519 HydrophobicContact CD2-CD1 4.21Å; L393-F519 HydrophobicContact CD2-CE1 4.13Å; I395-F519 HydrophobicContact CD1-CB 4.45Å; I395-F519 HydrophobicContact CD1-CD1 4.02Å; P515-F519 PolarHBondContact O-N 3.01Å; P515-F519 VanDerWaalsContact O-N 3.16Å; T516-F519 PolarHBondContact O-N 2.78Å; L517-F519 VanDerWaalsContact C-N 3.31Å; L517-F519 PolarHBondContact O-N 2.87Å; F519-E521 VanDerWaalsContact C-N 3.28Å; F519-E521 PolarHBondContact O-N 3.41Å; F519-Q522 PolarHBondContact O-N 2.78Å; F519-V523 HydrophobicContact CD1-CG2 4.05Å; F519-V523 HydrophobicContact CE1-CG2 3.68Å; F519-V523 HydrophobicContact CZ-CG2 3.98Å; F519-V523 WeakPolarHBondContact O-CG2 3.19Å; F519-V523 PolarHBondContact O-N 3.4Å
520	A	97.1	Very high	95.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-43.8	174.8	0	0	0	0	0	111.6	I395 T516 L517 N518 V523 A524 V531 F616	I395-A520 HydrophobicContact CD1-CB 4.21Å; I395-A520 HydrophobicContact CG2-CB 3.72Å; T516-A520 PolarHBondContact O-N 2.92Å; T516-A520 VanDerWaalsContact O-N 3.13Å; L517-A520 WeakPolarHBondContact O-CB 3.43Å; L517-A520 PolarHBondContact O-N 3.43Å; N518-A520 VanDerWaalsContact C-N 3.34Å; N518-A520 PolarHBondContact O-N 3.42Å; A520-V523 PolarHBondContact O-N 2.73Å; A520-A524 VanDerWaalsContact O-CB 3.3Å; A520-A524 WeakPolarHBondContact O-CB 3.19Å; A520-A524 PolarHBondContact O-N 3.46Å; A520-V531 HydrophobicContact CB-CG1 4.22Å; A520-F616 HydrophobicContact CB-CD1 4.27Å; A520-F616 HydrophobicContact CB-CE1 3.96Å
521	E	94.8	Very high	96	Very high	28 Å²	28	25.1 Å²	25.1	13%	0.131	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-46	178.7	-164.3	178.1	164	0	0	112.4	L517 N518 F519 V523 A524 R525	L517-E521 PolarHBondContact O-N 3.23Å; N518-E521 WeakPolarHBondContact O-CB 3.36Å; N518-E521 PolarHBondContact O-N 3.31Å; F519-E521 VanDerWaalsContact C-N 3.28Å; F519-E521 PolarHBondContact O-N 3.41Å; E521-V523 VanDerWaalsContact C-N 3.32Å; E521-V523 PolarHBondContact O-N 3.18Å; E521-A524 PolarHBondContact O-N 3.23Å; E521-R525 WeakPolarHBondContact O-CG 3.32Å; E521-R525 PolarHBondContact O-N 2.97Å; E521-R525 IonicContact OE1-CZ 3.95Å; E521-R525 IonicContact OE1-NH1 3.21Å; E521-R525 IonicContact OE1-NH2 2.76Å; E521-R525 PolarHBondContact OE1-NH2 2.93Å
522	Q	94.7	Very high	96.1	Very high	37 Å²	37	25.1 Å²	25.1	17%	0.173	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-41.6	176.3	-62.9	-52.7	-31.1	0	0	112.1	Y269 F381 N518 F519 R525	Y269-Q522 HydrophobicContact CE2-CG 3.86Å; F381-Q522 HydrophobicContact CD1-CB 3.82Å; F381-Q522 HydrophobicContact CD2-CB 4.08Å; F381-Q522 HydrophobicContact CD2-CG 4.31Å; F381-Q522 HydrophobicContact CE1-CB 3.63Å; F381-Q522 HydrophobicContact CE2-CB 3.9Å; F381-Q522 HydrophobicContact CE2-CG 4.33Å; F381-Q522 HydrophobicContact CG-CB 4.05Å; F381-Q522 HydrophobicContact CZ-CB 3.67Å; N518-Q522 WeakPolarHBondContact O-CG 3.45Å; N518-Q522 PolarHBondContact O-N 2.86Å; N518-Q522 PolarHBondContact OD1-NE2 3.05Å; F519-Q522 PolarHBondContact O-N 2.78Å; Q522-R525 VanDerWaalsContact NE2-NH1 3.16Å; Q522-R525 PolarHBondContact O-N 3Å
523	V	96.2	Very high	96.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.9	-39.8	178.1	177.2	0	0	0	0	111.1	W249 F381 P391 L393 F519 A520 E521 R525 L526 A529 V531	W249-V523 HydrophobicContact CH2-CG1 4.38Å; W249-V523 HydrophobicContact CH2-CG2 3.79Å; W249-V523 HydrophobicContact CZ2-CG1 4.04Å; W249-V523 HydrophobicContact CZ2-CG2 4.06Å; W249-V523 HydrophobicContact CZ3-CG2 4.16Å; F381-V523 HydrophobicContact CE1-CG2 4.07Å; F381-V523 HydrophobicContact CZ-CG2 4.11Å; P391-V523 HydrophobicContact CB-CG1 4.03Å; P391-V523 HydrophobicContact CG-CG1 4.11Å; L393-V523 HydrophobicContact CB-CG1 4.36Å; L393-V523 HydrophobicContact CD2-CB 3.94Å; L393-V523 HydrophobicContact CD2-CG1 3.92Å; L393-V523 HydrophobicContact CD2-CG2 3.99Å; F519-V523 HydrophobicContact CD1-CG2 4.05Å; F519-V523 HydrophobicContact CE1-CG2 3.68Å; F519-V523 HydrophobicContact CZ-CG2 3.98Å; F519-V523 WeakPolarHBondContact O-CG2 3.19Å; F519-V523 PolarHBondContact O-N 3.4Å; A520-V523 PolarHBondContact O-N 2.73Å; E521-V523 VanDerWaalsContact C-N 3.32Å; E521-V523 PolarHBondContact O-N 3.18Å; V523-R525 PolarHBondContact O-N 3.08Å; V523-L526 VanDerWaalsContact O-CB 3.32Å; V523-L526 WeakPolarHBondContact O-CB 3.46Å; V523-L526 PolarHBondContact O-N 2.74Å; V523-A529 WeakPolarHBondContact O-CB 3.49Å; V523-V531 HydrophobicContact CB-CG2 4.24Å; V523-V531 HydrophobicContact CG1-CG2 3.83Å
524	A	94.9	Very high	96.2	Very high	21 Å²	21	25.1 Å²	25.1	17%	0.174	13%	0.132	C	C	.	.	H	α-helix	trans	-63.9	-21.4	178.3	0	0	0	0	0	113.5	A520 E521 L526 V531 F616	A520-A524 VanDerWaalsContact O-CB 3.3Å; A520-A524 WeakPolarHBondContact O-CB 3.19Å; A520-A524 PolarHBondContact O-N 3.46Å; E521-A524 PolarHBondContact O-N 3.23Å; A524-L526 VanDerWaalsContact C-N 3.28Å; A524-L526 PolarHBondContact O-N 2.98Å; A524-V531 HydrophobicContact CB-CG2 4.03Å; A524-F616 HydrophobicContact CB-CD1 3.96Å; A524-F616 HydrophobicContact CB-CE1 4.1Å
525	R	92.7	Very high	96.2	Very high	87 Å²	87	26.1 Å²	26.1	33%	0.328	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.4	172.9	-70.8	175.5	173.8	127.5	6	114.4	K384 E521 Q522 V523 S618 D620	K384-R525 PolarHBondContact NZ-O 3.48Å; E521-R525 WeakPolarHBondContact O-CG 3.32Å; E521-R525 PolarHBondContact O-N 2.97Å; E521-R525 IonicContact OE1-CZ 3.95Å; E521-R525 IonicContact OE1-NH1 3.21Å; E521-R525 IonicContact OE1-NH2 2.76Å; E521-R525 PolarHBondContact OE1-NH2 2.93Å; Q522-R525 VanDerWaalsContact NE2-NH1 3.16Å; Q522-R525 PolarHBondContact O-N 3Å; V523-R525 PolarHBondContact O-N 3.08Å; R525-S618 WeakPolarHBondContact CG-OG 3.37Å; R525-S618 PolarHBondContact NE-OG 2.97Å; R525-D620 IonicContact NE-OD1 3.75Å
526	L	93.9	Very high	96.3	Very high	11 Å²	11	25.6 Å²	25.6	6%	0.058	13%	0.133	C	C	.	.	S	Bend	trans	-81.6	148.5	176.8	-61.8	177.9	0	0	0	110.8	W249 F381 K384 L387 P391 V523 A524 N528 A529	W249-L526 HydrophobicContact CH2-CD1 3.64Å; W249-L526 HydrophobicContact CZ2-CD1 4.22Å; F381-L526 HydrophobicContact CE1-CD1 4.47Å; K384-L526 HydrophobicContact CB-CD2 4.31Å; K384-L526 HydrophobicContact CD-CD2 3.98Å; K384-L526 HydrophobicContact CG-CD2 3.87Å; L387-L526 HydrophobicContact CB-CD1 4.22Å; L387-L526 HydrophobicContact CD1-CD1 3.96Å; L387-L526 HydrophobicContact CD1-CD2 4.18Å; P391-L526 HydrophobicContact CG-CB 4.09Å; P391-L526 HydrophobicContact CG-CD1 4.16Å; V523-L526 VanDerWaalsContact O-CB 3.32Å; V523-L526 WeakPolarHBondContact O-CB 3.46Å; V523-L526 PolarHBondContact O-N 2.74Å; A524-L526 VanDerWaalsContact C-N 3.28Å; A524-L526 PolarHBondContact O-N 2.98Å; L526-N528 PolarHBondContact O-N 3.18Å; L526-A529 HydrophobicContact CB-CB 4.44Å; L526-A529 WeakPolarHBondContact O-CB 3.39Å; L526-A529 PolarHBondContact O-N 3.36Å
527	P	91	Very high	96.2	Very high	67 Å²	67	28.4 Å²	28.4	44%	0.435	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	138.5	175.3	-24	34.2	0	0	0	111.7	Q389 A529	Q389-P527 VanDerWaalsContact O-O 3.09Å; P527-A529 PolarHBondContact O-N 3.35Å
528	N	93	Very high	96.3	Very high	117 Å²	117	28.2 Å²	28.2	63%	0.626	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	20.7	175.9	-48.9	-49.1	0	0	0	115.1	N390 L526 K530	N390-N528 WeakPolarHBondContact OD1-CB 3.4Å; N390-N528 PolarHBondContact OD1-ND2 2.98Å; L526-N528 PolarHBondContact O-N 3.18Å; N528-K530 PolarHBondContact O-N 3.09Å
529	A	95.8	Very high	96.3	Very high	23 Å²	23	29.5 Å²	29.5	19%	0.19	15%	0.15	C	C	.	.			trans	-64.1	134.3	178.3	0	0	0	0	0	111.6	P391 V523 L526 P527 V531	P391-A529 HydrophobicContact CG-CB 3.68Å; V523-A529 WeakPolarHBondContact O-CB 3.49Å; L526-A529 HydrophobicContact CB-CB 4.44Å; L526-A529 WeakPolarHBondContact O-CB 3.39Å; L526-A529 PolarHBondContact O-N 3.36Å; P527-A529 PolarHBondContact O-N 3.35Å; A529-V531 HydrophobicContact CB-CG2 4.43Å
530	K	97.6	Very high	96.4	Very high	89 Å²	89	29.7 Å²	29.7	39%	0.387	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	98	168.9	-64.2	-178.6	-173.2	171.7	0	108	P391 E392 L393 N528 F532 L615	P391-K530 PolarHBondContact O-N 3.27Å; E392-K530 WeakPolarHBondContact CA-O 3.05Å; E392-K530 HydrophobicContact CG-CD 4.47Å; L393-K530 PolarHBondContact N-O 2.97Å; N528-K530 PolarHBondContact O-N 3.09Å; K530-F532 HydrophobicContact CB-CE2 4.18Å; K530-L615 HydrophobicContact CB-CD2 4.07Å; K530-L615 HydrophobicContact CG-CD2 4.32Å
531	V	98.3	Very high	96.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.6	176.9	-174.9	0	0	0	0	108.1	L393 I395 A520 V523 A524 A529 F616	L393-V531 HydrophobicContact CB-CG2 4.33Å; L393-V531 HydrophobicContact CD2-CG1 4.15Å; L393-V531 HydrophobicContact CD2-CG2 4.39Å; L393-V531 CarbonylContact O-C 3.55Å; L393-V531 WeakPolarHBondContact O-CA 3.33Å; I395-V531 HydrophobicContact CG2-CG1 3.91Å; A520-V531 HydrophobicContact CB-CG1 4.22Å; V523-V531 HydrophobicContact CB-CG2 4.24Å; V523-V531 HydrophobicContact CG1-CG2 3.83Å; A524-V531 HydrophobicContact CB-CG2 4.03Å; A529-V531 HydrophobicContact CB-CG2 4.43Å; V531-F616 HydrophobicContact CB-CB 4.13Å; V531-F616 HydrophobicContact CB-CD1 4.2Å; V531-F616 HydrophobicContact CG1-CB 4.04Å; V531-F616 HydrophobicContact CG1-CD1 3.86Å; V531-F616 HydrophobicContact CG1-CG 4.32Å; V531-F616 WeakPolarHBondContact O-CB 3.45Å; V531-F616 PolarHBondContact O-N 3.41Å
532	F	98.5	Very high	96.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.1	172.4	-63.7	-84.6	0	0	0	108	L393 L394 I395 K530 F594 G598 H599 P600 W613 L615	L393-F532 PolarHBondContact O-N 2.76Å; L394-F532 WeakPolarHBondContact CA-O 3.23Å; L394-F532 HydrophobicContact CD1-CB 3.84Å; L394-F532 WeakPolarHBondContact CD1-O 3.47Å; I395-F532 PolarHBondContact N-O 3.48Å; K530-F532 HydrophobicContact CB-CE2 4.18Å; F532-F594 HydrophobicContact CD2-CD2 4.17Å; F532-F594 HydrophobicContact CD2-CE2 4.05Å; F532-F594 HydrophobicContact CE2-CD2 4.44Å; F532-F594 HydrophobicContact CE2-CE2 4.38Å; F532-G598 WeakPolarHBondContact CE2-O 3.45Å; F532-H599 AromaticContact CE1-CD2 3.94Å; F532-H599 AromaticContact CE1-CE1 3.76Å; F532-H599 AromaticContact CE1-NE2 3.67Å; F532-H599 HydrophobicContact CZ-CB 4.2Å; F532-H599 AromaticContact CZ-CD2 3.53Å; F532-H599 AromaticContact CZ-CG 3.73Å; F532-H599 AromaticContact CZ-NE2 3.76Å; F532-P600 HydrophobicContact CB-CG 4.1Å; F532-P600 HydrophobicContact CD1-CG 3.72Å; F532-P600 HydrophobicContact CD2-CG 4.23Å; F532-P600 HydrophobicContact CE1-CG 4.18Å; F532-P600 HydrophobicContact CG-CG 3.74Å; F532-W613 HydrophobicContact CB-CG 4.5Å; F532-W613 HydrophobicContact CB-CZ2 4.48Å; F532-W613 HydrophobicContact CD1-CB 4.19Å; F532-W613 AromaticContact CD1-CD1 3.76Å; F532-W613 AromaticContact CD1-CG 3.97Å; F532-W613 HydrophobicContact CD1-CG 3.97Å; F532-W613 WeakPolarHBondContact CE1-O 2.83Å; F532-L615 HydrophobicContact CD1-CD2 4.44Å; F532-L615 HydrophobicContact CE1-CD2 3.78Å; F532-L615 HydrophobicContact CE1-CG 4.39Å; F532-L615 HydrophobicContact CE2-CD2 4.06Å; F532-L615 HydrophobicContact CZ-CD2 3.56Å
533	L	98.4	Very high	96.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137	-178.3	-179.9	60.9	0	0	0	110.4	I395 L517 W613 F616 Y629 L630 L642	I395-L533 HydrophobicContact CG2-CD1 4.14Å; I395-L533 CarbonylContact O-C 3.59Å; I395-L533 VanDerWaalsContact O-CA 3.24Å; I395-L533 WeakPolarHBondContact O-CA 3.45Å; L517-L533 HydrophobicContact CD2-CD1 3.59Å; L517-L533 HydrophobicContact CD2-CD2 3.64Å; L517-L533 HydrophobicContact CD2-CG 4.26Å; L533-W613 PolarHBondContact O-NE1 3.1Å; L533-F616 HydrophobicContact CB-CB 4.06Å; L533-F616 HydrophobicContact CB-CD2 4.08Å; L533-F616 HydrophobicContact CB-CG 4.19Å; L533-F616 HydrophobicContact CD2-CD2 3.63Å; L533-F616 HydrophobicContact CD2-CE2 3.74Å; L533-F616 HydrophobicContact CD2-CG 4.42Å; L533-Y629 VanDerWaalsContact O-CA 3.28Å; L533-Y629 WeakPolarHBondContact O-CA 3.23Å; L533-Y629 VanDerWaalsContact O-CB 3.24Å; L533-Y629 WeakPolarHBondContact O-CB 3.25Å; L533-L630 PolarHBondContact O-N 3.41Å; L533-L642 HydrophobicContact CD1-CD2 4.38Å; L533-L642 HydrophobicContact CD2-CB 4.24Å; L533-L642 HydrophobicContact CD2-CD2 4.22Å; L533-L642 HydrophobicContact CG-CD2 4.27Å
534	Y	98.6	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	157.6	167	66.6	-87.1	0	0	0	113.7	Q264 L394 I395 G396 V397 F536 W591 W613 L630 L632	Q264-Y534 WeakPolarHBondContact CA-OH 3.31Å; Q264-Y534 VanDerWaalsContact CB-OH 3.31Å; Q264-Y534 WeakPolarHBondContact CB-OH 3.48Å; Q264-Y534 WeakPolarHBondContact CG-OH 3.5Å; L394-Y534 HydrophobicContact CD1-CD1 4.08Å; I395-Y534 WeakPolarHBondContact O-CD1 3.46Å; I395-Y534 PolarHBondContact O-N 3.43Å; G396-Y534 VanDerWaalsContact CA-CE1 3.42Å; G396-Y534 VanDerWaalsContact CA-CZ 3.49Å; G396-Y534 WeakPolarHBondContact CA-O 3.18Å; V397-Y534 PolarHBondContact N-O 2.91Å; Y534-F536 HydrophobicContact CD2-CB 3.92Å; Y534-F536 HydrophobicContact CE2-CB 3.88Å; Y534-W591 HydrophobicContact CD1-CH2 4.1Å; Y534-W591 HydrophobicContact CD1-CZ2 4.34Å; Y534-W591 HydrophobicContact CE1-CH2 4Å; Y534-W591 AromaticContact CE1-CZ2 3.81Å; Y534-W591 HydrophobicContact CE1-CZ2 3.81Å; Y534-W591 HydrophobicContact CG-CH2 4.44Å; Y534-W613 HydrophobicContact CD1-CH2 4.2Å; Y534-W613 HydrophobicContact CD1-CZ2 4.11Å; Y534-W613 HydrophobicContact CG-CH2 4.36Å; Y534-W613 HydrophobicContact CG-CZ2 4.26Å; Y534-L630 CarbonylContact C-O 3.58Å; Y534-L630 WeakPolarHBondContact CA-O 3.3Å; Y534-L632 HydrophobicContact CD2-CD1 3.79Å; Y534-L632 HydrophobicContact CG-CD1 3.75Å
535	H	98.5	Very high	96.6	Very high	22 Å²	22	37.9 Å²	37.9	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.1	161.7	177.9	-147.6	0	0	0	108.4	V397 T399 Y629 L630 I631 L632 L642	V397-H535 CarbonylContact O-C 3.52Å; V397-H535 WeakPolarHBondContact O-CA 3.39Å; T399-H535 WeakPolarHBondContact CA-NE2 3.25Å; T399-H535 PolarHBondContact OG1-CE1 2.91Å; T399-H535 PolarHBondContact OG1-NE2 2.06Å; H535-Y629 HydrophobicContact CB-CD2 3.93Å; H535-Y629 HydrophobicContact CB-CE2 3.69Å; H535-L630 PolarHBondContact N-O 3.1Å; H535-I631 CarbonylContact O-C 3.58Å; H535-I631 WeakPolarHBondContact O-CA 3.38Å; H535-L632 PolarHBondContact O-N 2.92Å; H535-L642 HydrophobicContact CB-CD1 3.83Å; H535-L642 HydrophobicContact CB-CD2 3.83Å
536	F	98.7	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.3	-178.1	-172.6	-90.4	0	0	0	110.7	V397 N398 T399 Y534 K538 V551 E556 Y559 F583 L632	V397-F536 PolarHBondContact O-N 3.45Å; N398-F536 WeakPolarHBondContact OD1-CB 3.48Å; T399-F536 PolarHBondContact N-O 3.21Å; T399-F536 VanDerWaalsContact N-O 3.14Å; T399-F536 PolarHBondContact OG1-O 2.87Å; T399-F536 VanDerWaalsContact OG1-O 3.09Å; Y534-F536 HydrophobicContact CD2-CB 3.92Å; Y534-F536 HydrophobicContact CE2-CB 3.88Å; F536-K538 HydrophobicContact CE1-CB 4.06Å; F536-K538 WeakPolarHBondContact CE1-O 3.38Å; F536-K538 HydrophobicContact CE2-CB 4.42Å; F536-K538 HydrophobicContact CZ-CB 3.8Å; F536-V551 HydrophobicContact CD1-CG1 3.57Å; F536-V551 HydrophobicContact CE1-CG1 3.85Å; F536-E556 HydrophobicContact CB-CB 4.26Å; F536-E556 HydrophobicContact CD1-CB 3.54Å; F536-E556 HydrophobicContact CD2-CB 3.58Å; F536-E556 HydrophobicContact CE1-CB 3.65Å; F536-E556 HydrophobicContact CE2-CB 3.67Å; F536-E556 HydrophobicContact CG-CB 3.52Å; F536-E556 HydrophobicContact CZ-CB 3.73Å; F536-Y559 HydrophobicContact CE1-CD2 4.45Å; F536-Y559 HydrophobicContact CE2-CD2 4.36Å; F536-Y559 AromaticContact CZ-CD2 3.57Å; F536-Y559 HydrophobicContact CZ-CD2 3.57Å; F536-Y559 AromaticContact CZ-CE2 3.97Å; F536-Y559 HydrophobicContact CZ-CE2 3.97Å; F536-Y559 HydrophobicContact CZ-CG 4.3Å; F536-F583 HydrophobicContact CD2-CZ 4.42Å; F536-F583 AromaticContact CE2-CE1 3.66Å; F536-F583 HydrophobicContact CE2-CE1 3.66Å; F536-F583 AromaticContact CE2-CZ 3.61Å; F536-F583 HydrophobicContact CE2-CZ 3.61Å; F536-F583 AromaticContact CZ-CE1 3.83Å; F536-F583 HydrophobicContact CZ-CE1 3.83Å; F536-F583 HydrophobicContact CZ-CZ 4.07Å; F536-L632 HydrophobicContact CD2-CB 3.9Å; F536-L632 HydrophobicContact CD2-CD1 4.22Å
537	N	98.1	Very high	96.8	Very high	58 Å²	58	43.5 Å²	43.5	31%	0.31	23%	0.226	S	C	.	.			trans	-136.6	37.8	-171.5	-171.9	41	0	0	0	111.7	T399 I631 L632 E633	T399-N537 WeakPolarHBondContact OG1-CB 3.46Å; T399-N537 PolarHBondContact OG1-OD1 3.44Å; N537-I631 HydrophobicContact CB-CG2 4.23Å; N537-L632 CarbonylContact C-O 3.59Å; N537-L632 PolarHBondContact N-O 3.48Å; N537-E633 HydrophobicContact CB-CB 4.31Å; N537-E633 PolarHBondContact ND2-OE2 2.99Å; N537-E633 WeakPolarHBondContact O-CB 3.46Å
538	K	97.8	Very high	97	Very high	9 Å²	9	42.2 Å²	42.2	4%	0.039	21%	0.213	C	C	.	.			trans	-110.2	114.6	172.3	177	64.2	-179	178.7	0	110.1	F536 Y559 F583 D634	F536-K538 HydrophobicContact CE1-CB 4.06Å; F536-K538 WeakPolarHBondContact CE1-O 3.38Å; F536-K538 HydrophobicContact CE2-CB 4.42Å; F536-K538 HydrophobicContact CZ-CB 3.8Å; K538-Y559 HydrophobicContact CG-CE1 4.37Å; K538-Y559 HydrophobicContact CG-CE2 4.26Å; K538-F583 HydrophobicContact CB-CD1 4.43Å; K538-F583 HydrophobicContact CB-CE1 3.7Å; K538-F583 HydrophobicContact CB-CE2 4.19Å; K538-F583 HydrophobicContact CB-CZ 3.56Å; K538-F583 HydrophobicContact CG-CD1 3.94Å; K538-F583 HydrophobicContact CG-CE1 3.68Å; K538-F583 HydrophobicContact CG-CE2 4.47Å; K538-F583 HydrophobicContact CG-CG 4.42Å; K538-F583 HydrophobicContact CG-CZ 3.98Å; K538-D634 WeakPolarHBondContact CD-OD1 3.23Å; K538-D634 VanDerWaalsContact CE-OD1 3.28Å; K538-D634 WeakPolarHBondContact CE-OD1 3.31Å; K538-D634 IonicContact NZ-OD1 2.83Å; K538-D634 PolarHBondContact NZ-OD1 3.21Å; K538-D634 IonicContact NZ-OD2 2.63Å; K538-D634 PolarHBondContact NZ-OD2 3.26Å
539	R	97.4	Very high	97.2	Very high	49 Å²	49	36.6 Å²	36.6	19%	0.185	18%	0.183	C	C	.	.			trans	-88.6	134.8	169.7	-179.2	-177.1	175.4	84.9	-1	109.8	M545 P546 T549 G550 V551	R539-M545 PolarHBondContact NH2-O 2.84Å; R539-P546 PolarHBondContact NH2-O 2.98Å; R539-P546 VanDerWaalsContact NH2-O 3.12Å; R539-T549 PolarHBondContact NH1-OG1 3.49Å; R539-T549 PolarHBondContact NH2-OG1 2.67Å; R539-G550 PolarHBondContact NH1-O 3.49Å; R539-V551 HydrophobicContact CB-CG2 4.05Å
540	T	97.9	Very high	97.2	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.018	18%	0.182	C	C	.	.			trans	-70.4	126.8	171	-61.4	0	0	0	0	111.8	S542 L543 E558 Y559 Y574 F576 E580	T540-S542 PolarHBondContact O-N 3.39Å; T540-L543 VanDerWaalsContact O-CB 3.3Å; T540-L543 WeakPolarHBondContact O-CB 3.44Å; T540-L543 PolarHBondContact O-N 2.77Å; T540-E558 WeakPolarHBondContact CB-OE1 2.88Å; T540-E558 PolarHBondContact OG1-OE1 2.87Å; T540-Y559 WeakPolarHBondContact OG1-CE2 3.33Å; T540-Y559 PolarHBondContact OG1-OH 3.33Å; T540-Y574 HydrophobicContact CG2-CD2 3.99Å; T540-Y574 HydrophobicContact CG2-CE2 3.81Å; T540-F576 HydrophobicContact CG2-CD1 3.72Å; T540-F576 HydrophobicContact CG2-CE1 3.53Å; T540-F576 HydrophobicContact CG2-CZ 4.4Å; T540-E580 VanDerWaalsContact CA-OE1 3.28Å; T540-E580 WeakPolarHBondContact CA-OE1 3.42Å
541	E	96.6	Very high	97.3	Very high	124 Å²	124	32.4 Å²	32.4	58%	0.579	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-42.6	-170.7	-72.2	-177.4	-143.6	0	0	112.6	L543 T577 E580	E541-L543 VanDerWaalsContact C-N 3.29Å; E541-L543 PolarHBondContact O-N 3.09Å; E541-T577 HydrophobicContact CB-CG2 4.3Å; E541-T577 HydrophobicContact CG-CG2 4.44Å; E541-T577 WeakPolarHBondContact OE2-CG2 3.38Å; E541-E580 PolarHBondContact N-OE1 3.49Å
542	S	97.1	Very high	97.2	Very high	55 Å²	55	32.4 Å²	32.4	39%	0.385	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	9.6	-178.2	-47.9	0	0	0	0	113.7	T540 Y574 N575	T540-S542 PolarHBondContact O-N 3.39Å; S542-Y574 WeakPolarHBondContact O-CB 3.49Å; S542-N575 WeakPolarHBondContact CB-O 3.39Å; S542-N575 PolarHBondContact OG-O 3.41Å; S542-N575 VanDerWaalsContact OG-O 3.07Å
543	L	96.4	Very high	97.2	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.058	17%	0.168	C	C	.	.			trans	-58.7	125.4	180	-174.7	68.9	0	0	0	109.7	A111 T540 E541 M545 M552 Y555 Y574	A111-L543 HydrophobicContact CB-CD1 4.02Å; T540-L543 VanDerWaalsContact O-CB 3.3Å; T540-L543 WeakPolarHBondContact O-CB 3.44Å; T540-L543 PolarHBondContact O-N 2.77Å; E541-L543 VanDerWaalsContact C-N 3.29Å; E541-L543 PolarHBondContact O-N 3.09Å; L543-M545 HydrophobicContact CD2-CB 4.1Å; L543-M545 HydrophobicContact CD2-CG 4.2Å; L543-M545 HydrophobicContact CG-CB 4.11Å; L543-M545 HydrophobicContact CG-CG 4.06Å; L543-M545 PolarHBondContact O-N 2.88Å; L543-M552 HydrophobicContact CD2-CE 3.89Å; L543-Y555 HydrophobicContact CD1-CD1 3.9Å; L543-Y555 HydrophobicContact CD1-CE1 3.2Å; L543-Y555 HydrophobicContact CD2-CD1 4.22Å; L543-Y555 HydrophobicContact CD2-CE1 3.96Å; L543-Y555 HydrophobicContact CG-CE1 4.25Å; L543-Y574 HydrophobicContact CD1-CD1 4.35Å; L543-Y574 HydrophobicContact CD1-CE1 3.77Å; L543-Y574 HydrophobicContact CD1-CE2 4.37Å
544	P	95.9	Very high	97.2	Very high	51 Å²	51	33 Å²	33	33%	0.331	17%	0.169	S	C	.	.	S	Bend	trans	-77.9	46.1	-175.8	33.4	-37	0	0	0	112.4	N109 A110 A111 Y574	N109-P544 PolarHBondContact ND2-O 2.99Å; A110-P544 HydrophobicContact CB-CG 3.96Å; A111-P544 HydrophobicContact CB-CG 3.93Å; P544-Y574 HydrophobicContact CG-CD1 4.22Å
545	M	96.1	Very high	97.2	Very high	17 Å²	17	33.3 Å²	33.3	8%	0.084	17%	0.17	C	C	.	.	S	Bend	trans	-130.4	149.9	177.3	-62.7	-67.4	-106.5	0	0	108.3	F105 A111 L407 V424 R539 L543 T549 M552	F105-M545 HydrophobicContact CE1-CE 4.49Å; F105-M545 HydrophobicContact CZ-CE 4.21Å; F105-M545 HydrophobicContact CZ-SD 3.97Å; A111-M545 HydrophobicContact CB-CG 3.66Å; A111-M545 HydrophobicContact CB-SD 4.05Å; L407-M545 HydrophobicContact CD1-CE 4.24Å; V424-M545 HydrophobicContact CG2-CE 4.35Å; V424-M545 HydrophobicContact CG2-SD 3.66Å; R539-M545 PolarHBondContact NH2-O 2.84Å; L543-M545 HydrophobicContact CD2-CB 4.1Å; L543-M545 HydrophobicContact CD2-CG 4.2Å; L543-M545 HydrophobicContact CG-CB 4.11Å; L543-M545 HydrophobicContact CG-CG 4.06Å; L543-M545 PolarHBondContact O-N 2.88Å; M545-T549 HydrophobicContact CB-CG2 4.28Å; M545-M552 HydrophobicContact CB-CE 4.23Å; M545-M552 HydrophobicContact CE-CE 3.8Å; M545-M552 HydrophobicContact CE-SD 4.18Å; M545-M552 HydrophobicContact CG-CE 3.79Å
546	P	96.1	Very high	97.2	Very high	32 Å²	32	32.2 Å²	32.2	21%	0.208	17%	0.165	C	C	.	.			trans	-61.3	148.6	176.2	-25.8	35.7	0	0	0	112.4	V424 R539 W548 T549	V424-P546 HydrophobicContact CB-CG 3.9Å; V424-P546 HydrophobicContact CG1-CG 3.99Å; V424-P546 WeakPolarHBondContact O-CG 3.32Å; R539-P546 PolarHBondContact NH2-O 2.98Å; R539-P546 VanDerWaalsContact NH2-O 3.12Å; P546-W548 HydrophobicContact CB-CD2 3.97Å; P546-W548 HydrophobicContact CB-CG 4.08Å; P546-W548 HydrophobicContact CB-CZ2 3.86Å; P546-W548 HydrophobicContact CG-CZ2 3.69Å; P546-W548 PolarHBondContact O-N 3.17Å; P546-W548 VanDerWaalsContact O-N 3.13Å; P546-T549 WeakPolarHBondContact O-CB 3.37Å; P546-T549 PolarHBondContact O-N 3.23Å; P546-T549 PolarHBondContact O-OG1 3.35Å
547	K	95.9	Very high	97.2	Very high	185 Å²	185	32.2 Å²	32.2	80%	0.804	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-56	-33.4	-176.8	-69.9	-173.1	177.4	-175.4	0	113.6	T549 G550	K547-T549 PolarHBondContact O-N 2.85Å; K547-T549 VanDerWaalsContact O-N 3.14Å; K547-G550 PolarHBondContact O-N 2.94Å; K547-G550 VanDerWaalsContact O-N 3.07Å
548	W	94.9	Very high	97.2	Very high	39 Å²	39	29.5 Å²	29.5	15%	0.148	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-64.3	-14.2	178.9	55.9	-112.3	0	0	0	114.1	M403 L407 F417 V424 M426 E497 L500 P546 G550	M403-W548 HydrophobicContact SD-CE3 4.31Å; M403-W548 HydrophobicContact SD-CZ3 3.94Å; L407-W548 HydrophobicContact CD1-CH2 4.36Å; L407-W548 HydrophobicContact CD1-CZ3 4.38Å; L407-W548 HydrophobicContact CD2-CH2 3.73Å; L407-W548 HydrophobicContact CD2-CZ3 3.75Å; F417-W548 HydrophobicContact CD1-CH2 4.38Å; V424-W548 HydrophobicContact CG1-CH2 3.64Å; V424-W548 HydrophobicContact CG1-CZ2 3.8Å; M426-W548 HydrophobicContact CE-CD2 3.88Å; M426-W548 HydrophobicContact CE-CE3 4.23Å; M426-W548 HydrophobicContact CE-CG 4.13Å; M426-W548 HydrophobicContact CE-CZ2 4.44Å; E497-W548 HydrophobicContact CB-CB 4.23Å; E497-W548 HydrophobicContact CG-CB 3.75Å; E497-W548 HydrophobicContact CG-CG 4.14Å; L500-W548 HydrophobicContact CD2-CE3 3.7Å; L500-W548 HydrophobicContact CD2-CH2 4.24Å; L500-W548 HydrophobicContact CD2-CZ3 3.45Å; L500-W548 VanDerWaalsContact CD2-CZ3 3.45Å; P546-W548 HydrophobicContact CB-CD2 3.97Å; P546-W548 HydrophobicContact CB-CG 4.08Å; P546-W548 HydrophobicContact CB-CZ2 3.86Å; P546-W548 HydrophobicContact CG-CZ2 3.69Å; P546-W548 PolarHBondContact O-N 3.17Å; P546-W548 VanDerWaalsContact O-N 3.13Å; W548-G550 PolarHBondContact O-N 3.27Å
549	T	96.5	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-69.1	-15.9	172.6	56.8	0	0	0	0	112.9	M403 L407 R539 M545 P546 K547 M552	M403-T549 HydrophobicContact CG-CG2 4.36Å; L407-T549 HydrophobicContact CD1-CG2 4.12Å; R539-T549 PolarHBondContact NH1-OG1 3.49Å; R539-T549 PolarHBondContact NH2-OG1 2.67Å; M545-T549 HydrophobicContact CB-CG2 4.28Å; P546-T549 WeakPolarHBondContact O-CB 3.37Å; P546-T549 PolarHBondContact O-N 3.23Å; P546-T549 PolarHBondContact O-OG1 3.35Å; K547-T549 PolarHBondContact O-N 2.85Å; K547-T549 VanDerWaalsContact O-N 3.14Å; T549-M552 HydrophobicContact CG2-SD 4.38Å; T549-M552 WeakPolarHBondContact O-CG 3.37Å
550	G	96.9	Very high	97.3	Very high	17 Å²	17	26.8 Å²	26.8	18%	0.175	14%	0.14	C	C	.	.			trans	65.4	-138.9	172.3	0	0	0	0	0	113.9	N400 R539 K547 W548	N400-G550 WeakPolarHBondContact OD1-CA 3.35Å; R539-G550 PolarHBondContact NH1-O 3.49Å; K547-G550 PolarHBondContact O-N 2.94Å; K547-G550 VanDerWaalsContact O-N 3.07Å; W548-G550 PolarHBondContact O-N 3.27Å
551	V	97.8	Very high	97.3	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	14%	0.139	C	C	.	.	S	Bend	trans	-107.9	88.2	-179.4	-172.9	0	0	0	0	108.5	N398 N400 F536 R539	N398-V551 HydrophobicContact CB-CG1 4.38Å; N400-V551 WeakPolarHBondContact CA-O 3.46Å; N400-V551 WeakPolarHBondContact CB-O 3.5Å; N400-V551 PolarHBondContact N-O 3.29Å; N400-V551 PolarHBondContact OD1-N 3.19Å; F536-V551 HydrophobicContact CD1-CG1 3.57Å; F536-V551 HydrophobicContact CE1-CG1 3.85Å; R539-V551 HydrophobicContact CB-CG2 4.05Å
552	M	97.9	Very high	97.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-70.7	162.1	-172.3	-64.7	-170.8	-70.5	0	0	112.7	N398 N400 M403 F404 L543 M545 T549 G554 Y555	N398-M552 PolarHBondContact ND2-O 3.07Å; N400-M552 WeakPolarHBondContact O-CA 3.32Å; M403-M552 HydrophobicContact CB-CG 4.14Å; M403-M552 HydrophobicContact CG-CG 4.18Å; M403-M552 HydrophobicContact CG-SD 4.23Å; F404-M552 HydrophobicContact CB-CB 4.31Å; F404-M552 HydrophobicContact CB-SD 4.27Å; F404-M552 HydrophobicContact CD2-SD 4.37Å; L543-M552 HydrophobicContact CD2-CE 3.89Å; M545-M552 HydrophobicContact CB-CE 4.23Å; M545-M552 HydrophobicContact CE-CE 3.8Å; M545-M552 HydrophobicContact CE-SD 4.18Å; M545-M552 HydrophobicContact CG-CE 3.79Å; T549-M552 HydrophobicContact CG2-SD 4.38Å; T549-M552 WeakPolarHBondContact O-CG 3.37Å; M552-G554 PolarHBondContact O-N 3.46Å; M552-Y555 HydrophobicContact CB-CD2 3.59Å; M552-Y555 HydrophobicContact CB-CE2 3.75Å; M552-Y555 HydrophobicContact CE-CD2 4.37Å; M552-Y555 HydrophobicContact CE-CE2 3.63Å; M552-Y555 PolarHBondContact O-N 3.07Å
553	H	98.5	Very high	97.4	Very high	11 Å²	11	18.1 Å²	18.1	5%	0.051	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	133.1	172.1	-162.3	75.8	0	0	0	113.1	E238 S239 S265 E401 F404 F405 F512 Y555	E238-H553 IonicContact OE1-CD2 3.08Å; E238-H553 PolarHBondContact OE1-CD2 3.4Å; E238-H553 IonicContact OE1-CE1 3.03Å; E238-H553 IonicContact OE1-CG 3.87Å; E238-H553 IonicContact OE1-ND1 3.6Å; E238-H553 IonicContact OE1-NE2 2.7Å; E238-H553 PolarHBondContact OE1-NE2 2.89Å; S239-H553 WeakPolarHBondContact CB-NE2 3.5Å; S239-H553 PolarHBondContact OG-NE2 2.83Å; S265-H553 PolarHBondContact O-CE1 3.23Å; S265-H553 VanDerWaalsContact O-CE1 3.31Å; E401-H553 WeakPolarHBondContact O-CB 3.37Å; E401-H553 IonicContact OE2-CE1 3.93Å; E401-H553 IonicContact OE2-CG 3.63Å; E401-H553 IonicContact OE2-ND1 2.66Å; E401-H553 PolarHBondContact OE2-ND1 2.55Å; F404-H553 HydrophobicContact CB-CB 4.44Å; F405-H553 HydrophobicContact CE2-CB 3.83Å; F405-H553 AromaticContact CE2-CD2 3.59Å; F405-H553 AromaticContact CE2-CG 3.65Å; F405-H553 HydrophobicContact CZ-CB 4.39Å; F405-H553 AromaticContact CZ-CD2 3.44Å; F405-H553 VanDerWaalsContact CZ-CD2 3.44Å; F405-H553 WeakPolarHBondContact CZ-CD2 3.3Å; F405-H553 AromaticContact CZ-NE2 3.86Å; F512-H553 AromaticContact CD1-CE1 3.27Å; F512-H553 WeakPolarHBondContact CD1-CE1 3.37Å; F512-H553 AromaticContact CD1-ND1 3.8Å; F512-H553 AromaticContact CE1-CE1 3.3Å; F512-H553 WeakPolarHBondContact CE1-CE1 3.41Å; F512-H553 AromaticContact CE1-ND1 3.94Å; F512-H553 AromaticContact CE1-NE2 3.64Å; H553-Y555 VanDerWaalsContact C-N 3.31Å; H553-Y555 VanDerWaalsContact O-CD2 3.3Å; H553-Y555 WeakPolarHBondContact O-CD2 3.19Å; H553-Y555 PolarHBondContact O-N 2.78Å
554	G	97.8	Very high	97.4	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.021	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-4.4	175.9	0	0	0	0	0	116.9	E238 N398 M552 E556 I557	E238-G554 VanDerWaalsContact OE1-CA 3.28Å; E238-G554 WeakPolarHBondContact OE1-CA 3.15Å; E238-G554 PolarHBondContact OE1-N 2.95Å; N398-G554 PolarHBondContact ND2-N 3.37Å; M552-G554 PolarHBondContact O-N 3.46Å; G554-E556 VanDerWaalsContact C-N 3.27Å; G554-E556 VanDerWaalsContact CA-OE2 3.26Å; G554-E556 WeakPolarHBondContact CA-OE2 3.43Å; G554-E556 PolarHBondContact N-OE2 2.89Å; G554-E556 PolarHBondContact O-N 3.2Å; G554-I557 WeakPolarHBondContact O-CB 3.05Å; G554-I557 WeakPolarHBondContact O-CD1 3.18Å; G554-I557 WeakPolarHBondContact O-CG1 3.19Å; G554-I557 PolarHBondContact O-N 3.22Å
555	Y	97.7	Very high	97.5	Very high	7 Å²	7	16.2 Å²	16.2	3%	0.027	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-4.5	-178.4	-77.5	-89.9	0	0	0	114.4	A111 M114 F404 L543 M552 H553 I557 E558	A111-Y555 WeakPolarHBondContact CB-OH 3.04Å; A111-Y555 PolarHBondContact O-OH 3.25Å; M114-Y555 HydrophobicContact SD-CE1 4.29Å; F404-Y555 HydrophobicContact CD2-CE2 4.44Å; L543-Y555 HydrophobicContact CD1-CD1 3.9Å; L543-Y555 HydrophobicContact CD1-CE1 3.2Å; L543-Y555 HydrophobicContact CD2-CD1 4.22Å; L543-Y555 HydrophobicContact CD2-CE1 3.96Å; L543-Y555 HydrophobicContact CG-CE1 4.25Å; M552-Y555 HydrophobicContact CB-CD2 3.59Å; M552-Y555 HydrophobicContact CB-CE2 3.75Å; M552-Y555 HydrophobicContact CE-CD2 4.37Å; M552-Y555 HydrophobicContact CE-CE2 3.63Å; M552-Y555 PolarHBondContact O-N 3.07Å; H553-Y555 VanDerWaalsContact C-N 3.31Å; H553-Y555 VanDerWaalsContact O-CD2 3.3Å; H553-Y555 WeakPolarHBondContact O-CD2 3.19Å; H553-Y555 PolarHBondContact O-N 2.78Å; Y555-I557 VanDerWaalsContact C-N 3.3Å; Y555-E558 WeakPolarHBondContact O-CG 3.21Å
556	E	98.6	Very high	97.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-23.3	168.2	81.3	-67.2	170.3	0	0	112.2	E238 Q264 N398 F536 G554 E558 Y559 I560	E238-E556 VanDerWaalsContact CG-OE1 3.27Å; E238-E556 WeakPolarHBondContact CG-OE1 3.42Å; Q264-E556 WeakPolarHBondContact CB-OE1 3.31Å; Q264-E556 PolarHBondContact NE2-OE1 3.26Å; N398-E556 PolarHBondContact ND2-OE2 3.19Å; N398-E556 PolarHBondContact OD1-OE2 2.91Å; F536-E556 HydrophobicContact CB-CB 4.26Å; F536-E556 HydrophobicContact CD1-CB 3.54Å; F536-E556 HydrophobicContact CD2-CB 3.58Å; F536-E556 HydrophobicContact CE1-CB 3.65Å; F536-E556 HydrophobicContact CE2-CB 3.67Å; F536-E556 HydrophobicContact CG-CB 3.52Å; F536-E556 HydrophobicContact CZ-CB 3.73Å; G554-E556 VanDerWaalsContact C-N 3.27Å; G554-E556 VanDerWaalsContact CA-OE2 3.26Å; G554-E556 WeakPolarHBondContact CA-OE2 3.43Å; G554-E556 PolarHBondContact N-OE2 2.89Å; G554-E556 PolarHBondContact O-N 3.2Å; E556-E558 VanDerWaalsContact C-N 3.32Å; E556-E558 PolarHBondContact O-N 3.48Å; E556-Y559 PolarHBondContact O-N 2.63Å; E556-I560 HydrophobicContact CB-CD1 4.47Å; E556-I560 HydrophobicContact CG-CD1 3.81Å; E556-I560 WeakPolarHBondContact O-CG1 3.44Å; E556-I560 PolarHBondContact O-N 3.47Å
557	I	98.7	Very high	97.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-40.7	-173.9	-55.7	169.8	0	0	0	111.8	W115 W147 V162 Y163 E238 G554 Y555 Y559 I560 F561	W115-I557 HydrophobicContact CH2-CD1 4.17Å; W115-I557 HydrophobicContact CZ3-CD1 4.34Å; W147-I557 HydrophobicContact CH2-CD1 4.14Å; W147-I557 HydrophobicContact CH2-CG1 4.18Å; W147-I557 HydrophobicContact CH2-CG2 4.1Å; W147-I557 HydrophobicContact CZ2-CD1 4.21Å; W147-I557 HydrophobicContact CZ2-CG2 4.16Å; V162-I557 HydrophobicContact CG2-CG2 4.4Å; Y163-I557 HydrophobicContact CD1-CG2 3.7Å; Y163-I557 HydrophobicContact CE1-CD1 3.88Å; Y163-I557 HydrophobicContact CE1-CG2 3.65Å; E238-I557 HydrophobicContact CB-CD1 3.78Å; E238-I557 HydrophobicContact CB-CG1 4.1Å; E238-I557 HydrophobicContact CG-CD1 3.65Å; E238-I557 HydrophobicContact CG-CG1 3.93Å; G554-I557 WeakPolarHBondContact O-CB 3.05Å; G554-I557 WeakPolarHBondContact O-CD1 3.18Å; G554-I557 WeakPolarHBondContact O-CG1 3.19Å; G554-I557 PolarHBondContact O-N 3.22Å; Y555-I557 VanDerWaalsContact C-N 3.3Å; I557-Y559 PolarHBondContact O-N 2.93Å; I557-I560 PolarHBondContact O-N 3.28Å; I557-F561 HydrophobicContact CG2-CD2 3.48Å; I557-F561 VanDerWaalsContact CG2-CD2 3.48Å; I557-F561 HydrophobicContact CG2-CE2 3.7Å; I557-F561 PolarHBondContact O-N 3.37Å
558	E	98.2	Very high	97.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-59.7	-35.2	-178.6	68.1	-166.5	177.6	0	0	112.2	V162 T540 Y555 E556 G562 I563 P564 Y574 F576	V162-E558 HydrophobicContact CG2-CB 4.01Å; T540-E558 WeakPolarHBondContact CB-OE1 2.88Å; T540-E558 PolarHBondContact OG1-OE1 2.87Å; Y555-E558 WeakPolarHBondContact O-CG 3.21Å; E556-E558 VanDerWaalsContact C-N 3.32Å; E556-E558 PolarHBondContact O-N 3.48Å; E558-G562 PolarHBondContact O-N 2.92Å; E558-I563 HydrophobicContact CB-CB 3.96Å; E558-I563 HydrophobicContact CB-CG1 4.22Å; E558-I563 HydrophobicContact CB-CG2 4.33Å; E558-I563 VanDerWaalsContact O-CB 3.28Å; E558-I563 WeakPolarHBondContact O-CB 3.44Å; E558-I563 WeakPolarHBondContact O-CG1 3.33Å; E558-I563 PolarHBondContact O-N 3.25Å; E558-P564 WeakPolarHBondContact O-CD 3.44Å; E558-Y574 WeakPolarHBondContact OE2-CE2 3.16Å; E558-Y574 PolarHBondContact OE2-OH 3.19Å; E558-F576 HydrophobicContact CB-CZ 4.31Å; E558-F576 HydrophobicContact CG-CE1 4.06Å; E558-F576 HydrophobicContact CG-CZ 4.17Å; E558-F576 WeakPolarHBondContact OE2-CZ 3.34Å
559	Y	98.6	Very high	97.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-76.2	-30.2	176.9	-63.9	-80	0	0	0	113	F536 K538 T540 E556 I557 P564 E580 F583 S584	F536-Y559 HydrophobicContact CE1-CD2 4.45Å; F536-Y559 HydrophobicContact CE2-CD2 4.36Å; F536-Y559 AromaticContact CZ-CD2 3.57Å; F536-Y559 HydrophobicContact CZ-CD2 3.57Å; F536-Y559 AromaticContact CZ-CE2 3.97Å; F536-Y559 HydrophobicContact CZ-CE2 3.97Å; F536-Y559 HydrophobicContact CZ-CG 4.3Å; K538-Y559 HydrophobicContact CG-CE1 4.37Å; K538-Y559 HydrophobicContact CG-CE2 4.26Å; T540-Y559 WeakPolarHBondContact OG1-CE2 3.33Å; T540-Y559 PolarHBondContact OG1-OH 3.33Å; E556-Y559 PolarHBondContact O-N 2.63Å; I557-Y559 PolarHBondContact O-N 2.93Å; Y559-P564 HydrophobicContact CD1-CG 4.03Å; Y559-P564 HydrophobicContact CE1-CG 4.19Å; Y559-E580 HydrophobicContact CE1-CB 4.02Å; Y559-E580 HydrophobicContact CE1-CG 4.21Å; Y559-E580 PolarHBondContact OH-OE1 3.25Å; Y559-F583 AromaticContact CD1-CD1 3.31Å; Y559-F583 HydrophobicContact CD1-CD1 3.31Å; Y559-F583 AromaticContact CD1-CE1 3.72Å; Y559-F583 HydrophobicContact CD1-CE1 3.72Å; Y559-F583 HydrophobicContact CD2-CE1 4.17Å; Y559-F583 AromaticContact CE1-CD1 3.54Å; Y559-F583 HydrophobicContact CE1-CD1 3.54Å; Y559-F583 HydrophobicContact CE1-CE1 4.05Å; Y559-F583 AromaticContact CG-CD1 3.83Å; Y559-F583 HydrophobicContact CG-CD1 3.83Å; Y559-F583 AromaticContact CG-CE1 3.72Å; Y559-F583 HydrophobicContact CG-CE1 3.72Å; Y559-S584 PolarHBondContact O-OG 3.35Å
560	I	98.6	Very high	97.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-74	-36.3	178.6	-64.5	163.3	0	0	0	111.4	F236 E556 I557 I587 M588 W591	F236-I560 HydrophobicContact CE2-CG2 4.42Å; E556-I560 HydrophobicContact CB-CD1 4.47Å; E556-I560 HydrophobicContact CG-CD1 3.81Å; E556-I560 WeakPolarHBondContact O-CG1 3.44Å; E556-I560 PolarHBondContact O-N 3.47Å; I557-I560 PolarHBondContact O-N 3.28Å; I560-I587 HydrophobicContact CB-CG2 4.36Å; I560-I587 HydrophobicContact CG1-CG2 3.51Å; I560-M588 WeakPolarHBondContact O-CG 3.46Å; I560-W591 HydrophobicContact CD1-CD2 4.39Å; I560-W591 HydrophobicContact CD1-CH2 4.31Å; I560-W591 HydrophobicContact CD1-CZ2 3.52Å; I560-W591 HydrophobicContact CG1-CD2 4.15Å; I560-W591 HydrophobicContact CG1-CH2 4.49Å; I560-W591 HydrophobicContact CG1-CZ2 4.01Å; I560-W591 HydrophobicContact CG2-CD2 4.49Å; I560-W591 HydrophobicContact CG2-CG 4.04Å
561	F	98.5	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-86.8	-7.4	178.5	-82.2	-93.7	0	0	0	114	W147 V162 Y163 F236 I557 I563	W147-F561 HydrophobicContact CB-CZ 4.14Å; W147-F561 AromaticContact CD2-CE2 3.91Å; W147-F561 HydrophobicContact CD2-CE2 3.91Å; W147-F561 AromaticContact CD2-CZ 3.59Å; W147-F561 HydrophobicContact CD2-CZ 3.59Å; W147-F561 AromaticContact CE2-CZ 3.96Å; W147-F561 AromaticContact CE3-CE2 3.96Å; W147-F561 HydrophobicContact CE3-CE2 3.96Å; W147-F561 AromaticContact CE3-CZ 3.92Å; W147-F561 HydrophobicContact CE3-CZ 3.92Å; W147-F561 HydrophobicContact CG-CE2 4.47Å; W147-F561 AromaticContact CG-CZ 3.69Å; W147-F561 HydrophobicContact CG-CZ 3.69Å; W147-F561 HydrophobicContact CH2-CE2 4.17Å; W147-F561 HydrophobicContact CZ2-CE2 4.17Å; W147-F561 HydrophobicContact CZ3-CE2 4.07Å; W147-F561 HydrophobicContact CZ3-CZ 4.5Å; V162-F561 WeakPolarHBondContact O-CB 3.25Å; V162-F561 WeakPolarHBondContact O-CG 3.39Å; Y163-F561 VanDerWaalsContact C-CD1 3.48Å; Y163-F561 HydrophobicContact CD1-CE2 4.22Å; Y163-F561 WeakPolarHBondContact O-CD1 3.48Å; Y163-F561 VanDerWaalsContact O-CE1 3.28Å; Y163-F561 WeakPolarHBondContact O-CE1 3.49Å; F236-F561 AromaticContact CE2-CE2 3.92Å; F236-F561 HydrophobicContact CE2-CE2 3.92Å; F236-F561 AromaticContact CE2-CZ 3.8Å; F236-F561 HydrophobicContact CE2-CZ 3.8Å; F236-F561 HydrophobicContact CZ-CE1 4.38Å; F236-F561 HydrophobicContact CZ-CE2 4.35Å; F236-F561 AromaticContact CZ-CZ 3.76Å; F236-F561 HydrophobicContact CZ-CZ 3.76Å; I557-F561 HydrophobicContact CG2-CD2 3.48Å; I557-F561 VanDerWaalsContact CG2-CD2 3.48Å; I557-F561 HydrophobicContact CG2-CE2 3.7Å; I557-F561 PolarHBondContact O-N 3.37Å; F561-I563 HydrophobicContact CB-CD1 4.22Å; F561-I563 HydrophobicContact CB-CG1 4.06Å
562	G	97.9	Very high	97.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	20.4	179.6	0	0	0	0	0	114.1	I167 E558 P564 Y565 S584 M588	I167-G562 WeakPolarHBondContact CD1-O 3.39Å; E558-G562 PolarHBondContact O-N 2.92Å; G562-P564 VanDerWaalsContact C-N 3.29Å; G562-Y565 WeakPolarHBondContact O-CB 3.49Å; G562-Y565 PolarHBondContact O-N 2.89Å; G562-S584 WeakPolarHBondContact CA-OG 3.42Å; G562-M588 WeakPolarHBondContact CA-SD 3.25Å
563	I	97.7	Very high	97.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-59	-27.4	-175.7	-59.1	-57.3	0	0	0	114.5	Q161 V162 E558 F561 Y565 D566 F569 F576	Q161-I563 WeakPolarHBondContact O-CD1 3.47Å; V162-I563 HydrophobicContact CG2-CG1 4.19Å; E558-I563 HydrophobicContact CB-CB 3.96Å; E558-I563 HydrophobicContact CB-CG1 4.22Å; E558-I563 HydrophobicContact CB-CG2 4.33Å; E558-I563 VanDerWaalsContact O-CB 3.28Å; E558-I563 WeakPolarHBondContact O-CB 3.44Å; E558-I563 WeakPolarHBondContact O-CG1 3.33Å; E558-I563 PolarHBondContact O-N 3.25Å; F561-I563 HydrophobicContact CB-CD1 4.22Å; F561-I563 HydrophobicContact CB-CG1 4.06Å; I563-Y565 PolarHBondContact O-N 3.44Å; I563-D566 HydrophobicContact CD1-CB 4.41Å; I563-D566 WeakPolarHBondContact O-CB 3.29Å; I563-D566 PolarHBondContact O-N 2.68Å; I563-F569 HydrophobicContact CG2-CB 3.71Å; I563-F569 HydrophobicContact CG2-CD1 3.37Å; I563-F569 HydrophobicContact CG2-CD2 3.53Å; I563-F569 HydrophobicContact CG2-CE1 3.79Å; I563-F569 HydrophobicContact CG2-CE2 3.95Å; I563-F569 HydrophobicContact CG2-CG 3.22Å; I563-F569 HydrophobicContact CG2-CZ 4.06Å; I563-F576 HydrophobicContact CG2-CE2 3.89Å; I563-F576 HydrophobicContact CG2-CZ 4.11Å
564	P	97.5	Very high	97.2	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.039	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-55.9	-17.4	168.5	-32.1	40.5	0	0	0	115.3	E558 Y559 G562 F576 K581	E558-P564 WeakPolarHBondContact O-CD 3.44Å; Y559-P564 HydrophobicContact CD1-CG 4.03Å; Y559-P564 HydrophobicContact CE1-CG 4.19Å; G562-P564 VanDerWaalsContact C-N 3.29Å; P564-F576 HydrophobicContact CB-CB 3.8Å; P564-F576 HydrophobicContact CB-CD1 4.18Å; P564-F576 HydrophobicContact CB-CD2 4.27Å; P564-F576 HydrophobicContact CB-CG 3.83Å; P564-F576 HydrophobicContact CG-CB 4.29Å; P564-F576 HydrophobicContact CG-CD1 3.7Å; P564-F576 HydrophobicContact CG-CD2 4.34Å; P564-F576 HydrophobicContact CG-CE1 4.02Å; P564-F576 HydrophobicContact CG-CG 3.85Å; P564-F576 HydrophobicContact CG-CZ 4.47Å; P564-K581 HydrophobicContact CB-CB 4.4Å; P564-K581 HydrophobicContact CB-CG 3.77Å; P564-K581 WeakPolarHBondContact O-CE 3.36Å; P564-K581 WeakPolarHBondContact O-CG 3.27Å
565	Y	97	Very high	97.2	Very high	17 Å²	17	29.3 Å²	29.3	7%	0.067	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-98	-0.1	173.8	-63.2	-83.1	0	0	0	113.9	I50 D51 G562 I563 P567 K581 S585 M588	I50-Y565 HydrophobicContact CD1-CD1 4.27Å; I50-Y565 HydrophobicContact CD1-CG 4.04Å; I50-Y565 HydrophobicContact CG2-CD1 4.02Å; I50-Y565 HydrophobicContact CG2-CE1 3.88Å; D51-Y565 WeakPolarHBondContact OD1-CE1 3.4Å; D51-Y565 WeakPolarHBondContact OD2-CE1 3.36Å; D51-Y565 PolarHBondContact OD2-OH 2.94Å; G562-Y565 WeakPolarHBondContact O-CB 3.49Å; G562-Y565 PolarHBondContact O-N 2.89Å; I563-Y565 PolarHBondContact O-N 3.44Å; Y565-P567 VanDerWaalsContact O-CD 3.22Å; Y565-P567 WeakPolarHBondContact O-CD 3.25Å; Y565-K581 HydrophobicContact CD1-CD 4.23Å; Y565-K581 HydrophobicContact CD1-CG 4.37Å; Y565-K581 HydrophobicContact CE1-CB 3.93Å; Y565-K581 HydrophobicContact CE1-CD 4.06Å; Y565-K581 HydrophobicContact CE1-CG 4.16Å; Y565-K581 HydrophobicContact CE2-CB 4.04Å; Y565-K581 WeakPolarHBondContact CE2-O 3.46Å; Y565-K581 PolarHBondContact OH-O 3.07Å; Y565-S585 PolarHBondContact OH-OG 2.83Å; Y565-M588 HydrophobicContact CD2-CE 4.27Å; Y565-M588 HydrophobicContact CE2-CE 4.11Å
566	D	96	Very high	97.2	Very high	8 Å²	8	30 Å²	30	4%	0.043	15%	0.149	C	C	.	.			trans	-95.1	104	-177	-168.9	-27.4	0	0	0	111.8	Q161 I167 I563 E568 F569 S570	Q161-D566 PolarHBondContact NE2-OD2 2.91Å; I167-D566 HydrophobicContact CD1-CB 3.72Å; I563-D566 HydrophobicContact CD1-CB 4.41Å; I563-D566 WeakPolarHBondContact O-CB 3.29Å; I563-D566 PolarHBondContact O-N 2.68Å; D566-E568 VanDerWaalsContact C-N 3.29Å; D566-E568 PolarHBondContact O-N 3.43Å; D566-E568 WeakPolarHBondContact OD1-CA 3.36Å; D566-E568 WeakPolarHBondContact OD1-CB 3.42Å; D566-E568 PolarHBondContact OD1-N 3.41Å; D566-F569 HydrophobicContact CB-CB 3.93Å; D566-F569 PolarHBondContact O-N 2.85Å; D566-F569 PolarHBondContact OD1-N 2.96Å; D566-F569 VanDerWaalsContact OD1-N 3.13Å; D566-S570 PolarHBondContact O-N 3.04Å
567	P	94.1	Very high	97.1	Very high	74 Å²	74	31.5 Å²	31.5	48%	0.481	16%	0.159	S	C	.	.	H	α-helix	trans	-69.1	-25.5	179.5	29.7	-36	0	0	0	113.1	Y565 K571	Y565-P567 VanDerWaalsContact O-CD 3.22Å; Y565-P567 WeakPolarHBondContact O-CD 3.25Å; P567-K571 WeakPolarHBondContact O-CB 3.23Å; P567-K571 WeakPolarHBondContact O-CD 3.32Å; P567-K571 WeakPolarHBondContact O-CG 3.16Å; P567-K571 PolarHBondContact O-N 3.48Å
568	E	94.4	Very high	96.9	Very high	85 Å²	85	36.6 Å²	36.6	40%	0.397	19%	0.186	S	C	.	.	H	α-helix	trans	-73.5	-35.7	178.1	-64.8	-53.8	128.5	0	0	111.1	D566 K571 Q572	D566-E568 VanDerWaalsContact C-N 3.29Å; D566-E568 PolarHBondContact O-N 3.43Å; D566-E568 WeakPolarHBondContact OD1-CA 3.36Å; D566-E568 WeakPolarHBondContact OD1-CB 3.42Å; D566-E568 PolarHBondContact OD1-N 3.41Å; E568-K571 IonicContact OE1-NZ 3.49Å; E568-K571 PolarHBondContact OE1-NZ 2.95Å; E568-K571 IonicContact OE2-NZ 2.65Å; E568-Q572 WeakPolarHBondContact O-CG 3.45Å; E568-Q572 PolarHBondContact O-N 3.34Å; E568-Q572 PolarHBondContact O-NE2 2.66Å
569	F	97.1	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-52.5	169.8	-174.8	-83.3	0	0	0	111	M114 Q161 V162 I563 D566 K571 Q572 F573 Y574 F576	M114-F569 HydrophobicContact CB-CE2 4.44Å; M114-F569 HydrophobicContact CE-CE2 3.95Å; M114-F569 HydrophobicContact CE-CZ 3.87Å; M114-F569 HydrophobicContact SD-CZ 4.31Å; Q161-F569 HydrophobicContact CB-CD2 4.25Å; Q161-F569 HydrophobicContact CG-CB 4.02Å; Q161-F569 HydrophobicContact CG-CD2 4.07Å; V162-F569 HydrophobicContact CB-CE2 4Å; V162-F569 HydrophobicContact CG2-CE2 4.38Å; I563-F569 HydrophobicContact CG2-CB 3.71Å; I563-F569 HydrophobicContact CG2-CD1 3.37Å; I563-F569 HydrophobicContact CG2-CD2 3.53Å; I563-F569 HydrophobicContact CG2-CE1 3.79Å; I563-F569 HydrophobicContact CG2-CE2 3.95Å; I563-F569 HydrophobicContact CG2-CG 3.22Å; I563-F569 HydrophobicContact CG2-CZ 4.06Å; D566-F569 HydrophobicContact CB-CB 3.93Å; D566-F569 PolarHBondContact O-N 2.85Å; D566-F569 PolarHBondContact OD1-N 2.96Å; D566-F569 VanDerWaalsContact OD1-N 3.13Å; F569-K571 VanDerWaalsContact C-N 3.28Å; F569-K571 PolarHBondContact O-N 2.92Å; F569-Q572 PolarHBondContact O-N 3Å; F569-F573 HydrophobicContact CD1-CB 4.4Å; F569-F573 HydrophobicContact CD1-CD2 4.16Å; F569-F573 AromaticContact CD2-CD2 3.54Å; F569-F573 HydrophobicContact CD2-CD2 3.54Å; F569-F573 AromaticContact CD2-CE2 3.92Å; F569-F573 HydrophobicContact CD2-CE2 3.92Å; F569-F573 HydrophobicContact CE1-CB 3.93Å; F569-F573 HydrophobicContact CE1-CD2 4.16Å; F569-F573 HydrophobicContact CE1-CG 4.47Å; F569-F573 AromaticContact CE2-CD2 3.52Å; F569-F573 HydrophobicContact CE2-CD2 3.52Å; F569-F573 HydrophobicContact CE2-CE2 4.03Å; F569-F573 HydrophobicContact CE2-CG 4.25Å; F569-F573 AromaticContact CG-CD2 3.87Å; F569-F573 HydrophobicContact CG-CD2 3.87Å; F569-F573 HydrophobicContact CZ-CB 4.01Å; F569-F573 AromaticContact CZ-CD2 3.86Å; F569-F573 HydrophobicContact CZ-CD2 3.86Å; F569-F573 HydrophobicContact CZ-CG 4.19Å; F569-F573 WeakPolarHBondContact O-CD2 3.35Å; F569-F573 PolarHBondContact O-N 3.44Å; F569-Y574 HydrophobicContact CE1-CD2 4.23Å; F569-Y574 HydrophobicContact CE1-CE1 4.32Å; F569-Y574 AromaticContact CE1-CE2 3.87Å; F569-Y574 HydrophobicContact CE1-CE2 3.87Å; F569-Y574 AromaticContact CE1-CZ 3.92Å; F569-Y574 HydrophobicContact CZ-CE1 4.23Å; F569-Y574 HydrophobicContact CZ-CE2 4.29Å; F569-Y574 AromaticContact CZ-CZ 3.89Å; F569-F576 AromaticContact CD1-CE2 3.75Å; F569-F576 HydrophobicContact CD1-CE2 3.75Å; F569-F576 HydrophobicContact CD1-CZ 4.39Å; F569-F576 AromaticContact CE1-CE2 3.72Å; F569-F576 HydrophobicContact CE1-CE2 3.72Å; F569-F576 AromaticContact CE1-CZ 3.95Å; F569-F576 HydrophobicContact CE1-CZ 3.95Å
570	S	96.7	Very high	96.9	Very high	25 Å²	25	40.1 Å²	40.1	18%	0.175	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-31.4	-176.8	-69	0	0	0	0	113.9	D566 Q572 Y574	D566-S570 PolarHBondContact O-N 3.04Å; S570-Q572 VanDerWaalsContact C-N 3.28Å; S570-Q572 PolarHBondContact O-N 3.26Å; S570-Y574 WeakPolarHBondContact CA-O 3.34Å; S570-Y574 PolarHBondContact OG-O 2.77Å
571	K	95.8	Very high	96.8	Very high	148 Å²	148	42.5 Å²	42.5	64%	0.643	22%	0.219	S	C	*	.	H	α-helix	trans	-63.4	-31.9	172.2	-77.1	168	-169.5	174.5	0	113.4	P567 E568 F569	P567-K571 WeakPolarHBondContact O-CB 3.23Å; P567-K571 WeakPolarHBondContact O-CD 3.32Å; P567-K571 WeakPolarHBondContact O-CG 3.16Å; P567-K571 PolarHBondContact O-N 3.48Å; E568-K571 IonicContact OE1-NZ 3.49Å; E568-K571 PolarHBondContact OE1-NZ 2.95Å; E568-K571 IonicContact OE2-NZ 2.65Å; F569-K571 VanDerWaalsContact C-N 3.28Å; F569-K571 PolarHBondContact O-N 2.92Å
572	Q	94.9	Very high	96.7	Very high	100 Å²	100	48.1 Å²	48.1	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-98.3	-29.8	-170.4	-69	-177.6	49.5	0	0	113.8	E568 F569 S570	E568-Q572 WeakPolarHBondContact O-CG 3.45Å; E568-Q572 PolarHBondContact O-N 3.34Å; E568-Q572 PolarHBondContact O-NE2 2.66Å; F569-Q572 PolarHBondContact O-N 3Å; S570-Q572 VanDerWaalsContact C-N 3.28Å; S570-Q572 PolarHBondContact O-N 3.26Å
573	F	97.4	Very high	96.6	Very high	35 Å²	35	48.3 Å²	48.3	15%	0.154	25%	0.249	C	C	.	.	S	Bend	trans	-123.1	-79.6	-170	-52.7	-70	0	0	0	112.8	A110 K113 M114 Q161 F569	A110-F573 HydrophobicContact CB-CB 4.15Å; A110-F573 HydrophobicContact CB-CD1 4.38Å; A110-F573 VanDerWaalsContact CB-O 3.3Å; A110-F573 WeakPolarHBondContact CB-O 3.46Å; K113-F573 HydrophobicContact CB-CD1 4.42Å; K113-F573 HydrophobicContact CB-CE1 4.19Å; K113-F573 HydrophobicContact CD-CE1 4.32Å; K113-F573 HydrophobicContact CG-CE1 4.1Å; M114-F573 VanDerWaalsContact CA-CE1 3.43Å; M114-F573 HydrophobicContact CB-CD1 3.82Å; M114-F573 HydrophobicContact CB-CD2 4.42Å; M114-F573 HydrophobicContact CB-CE1 3.84Å; M114-F573 HydrophobicContact CB-CE2 4.44Å; M114-F573 HydrophobicContact CB-CG 4.13Å; M114-F573 HydrophobicContact CB-CZ 4.16Å; Q161-F573 HydrophobicContact CB-CE2 4.33Å; F569-F573 HydrophobicContact CD1-CB 4.4Å; F569-F573 HydrophobicContact CD1-CD2 4.16Å; F569-F573 AromaticContact CD2-CD2 3.54Å; F569-F573 HydrophobicContact CD2-CD2 3.54Å; F569-F573 AromaticContact CD2-CE2 3.92Å; F569-F573 HydrophobicContact CD2-CE2 3.92Å; F569-F573 HydrophobicContact CE1-CB 3.93Å; F569-F573 HydrophobicContact CE1-CD2 4.16Å; F569-F573 HydrophobicContact CE1-CG 4.47Å; F569-F573 AromaticContact CE2-CD2 3.52Å; F569-F573 HydrophobicContact CE2-CD2 3.52Å; F569-F573 HydrophobicContact CE2-CE2 4.03Å; F569-F573 HydrophobicContact CE2-CG 4.25Å; F569-F573 AromaticContact CG-CD2 3.87Å; F569-F573 HydrophobicContact CG-CD2 3.87Å; F569-F573 HydrophobicContact CZ-CB 4.01Å; F569-F573 AromaticContact CZ-CD2 3.86Å; F569-F573 HydrophobicContact CZ-CD2 3.86Å; F569-F573 HydrophobicContact CZ-CG 4.19Å; F569-F573 WeakPolarHBondContact O-CD2 3.35Å; F569-F573 PolarHBondContact O-N 3.44Å
574	Y	97.5	Very high	96.6	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.043	25%	0.249	C	C	.	.			trans	-157.8	161.6	-180	49.2	-96.7	0	0	0	111.7	M114 T540 S542 L543 P544 E558 F569 S570 F576	M114-Y574 HydrophobicContact SD-CE1 4.03Å; M114-Y574 PolarHBondContact SD-OH 3.04Å; M114-Y574 VanDerWaalsContact SD-OH 3.36Å; T540-Y574 HydrophobicContact CG2-CD2 3.99Å; T540-Y574 HydrophobicContact CG2-CE2 3.81Å; S542-Y574 WeakPolarHBondContact O-CB 3.49Å; L543-Y574 HydrophobicContact CD1-CD1 4.35Å; L543-Y574 HydrophobicContact CD1-CE1 3.77Å; L543-Y574 HydrophobicContact CD1-CE2 4.37Å; P544-Y574 HydrophobicContact CG-CD1 4.22Å; E558-Y574 WeakPolarHBondContact OE2-CE2 3.16Å; E558-Y574 PolarHBondContact OE2-OH 3.19Å; F569-Y574 HydrophobicContact CE1-CD2 4.23Å; F569-Y574 HydrophobicContact CE1-CE1 4.32Å; F569-Y574 AromaticContact CE1-CE2 3.87Å; F569-Y574 HydrophobicContact CE1-CE2 3.87Å; F569-Y574 AromaticContact CE1-CZ 3.92Å; F569-Y574 HydrophobicContact CZ-CE1 4.23Å; F569-Y574 HydrophobicContact CZ-CE2 4.29Å; F569-Y574 AromaticContact CZ-CZ 3.89Å; S570-Y574 WeakPolarHBondContact CA-O 3.34Å; S570-Y574 PolarHBondContact OG-O 2.77Å; Y574-F576 HydrophobicContact CD2-CE2 4.33Å; Y574-F576 HydrophobicContact CD2-CZ 4.1Å; Y574-F576 HydrophobicContact CE2-CE1 4.04Å; Y574-F576 HydrophobicContact CE2-CE2 4.19Å; Y574-F576 AromaticContact CE2-CZ 3.57Å; Y574-F576 HydrophobicContact CE2-CZ 3.57Å
575	N	97.4	Very high	96.6	Very high	98 Å²	98	49.9 Å²	49.9	52%	0.524	26%	0.26	S	S	.	.			trans	-90.8	162.9	-174.4	-65.9	-37.6	0	0	0	112.8	S542	S542-N575 WeakPolarHBondContact CB-O 3.39Å; S542-N575 PolarHBondContact OG-O 3.41Å; S542-N575 VanDerWaalsContact OG-O 3.07Å
576	F	97.7	Very high	96.5	Very high	21 Å²	21	52.6 Å²	52.6	9%	0.092	27%	0.27	C	S	.	.			trans	-123	149.5	173.1	-61.8	-90.4	0	0	0	111.6	T540 E558 I563 P564 F569 Y574 E580	T540-F576 HydrophobicContact CG2-CD1 3.72Å; T540-F576 HydrophobicContact CG2-CE1 3.53Å; T540-F576 HydrophobicContact CG2-CZ 4.4Å; E558-F576 HydrophobicContact CB-CZ 4.31Å; E558-F576 HydrophobicContact CG-CE1 4.06Å; E558-F576 HydrophobicContact CG-CZ 4.17Å; E558-F576 WeakPolarHBondContact OE2-CZ 3.34Å; I563-F576 HydrophobicContact CG2-CE2 3.89Å; I563-F576 HydrophobicContact CG2-CZ 4.11Å; P564-F576 HydrophobicContact CB-CB 3.8Å; P564-F576 HydrophobicContact CB-CD1 4.18Å; P564-F576 HydrophobicContact CB-CD2 4.27Å; P564-F576 HydrophobicContact CB-CG 3.83Å; P564-F576 HydrophobicContact CG-CB 4.29Å; P564-F576 HydrophobicContact CG-CD1 3.7Å; P564-F576 HydrophobicContact CG-CD2 4.34Å; P564-F576 HydrophobicContact CG-CE1 4.02Å; P564-F576 HydrophobicContact CG-CG 3.85Å; P564-F576 HydrophobicContact CG-CZ 4.47Å; F569-F576 AromaticContact CD1-CE2 3.75Å; F569-F576 HydrophobicContact CD1-CE2 3.75Å; F569-F576 HydrophobicContact CD1-CZ 4.39Å; F569-F576 AromaticContact CE1-CE2 3.72Å; F569-F576 HydrophobicContact CE1-CE2 3.72Å; F569-F576 AromaticContact CE1-CZ 3.95Å; F569-F576 HydrophobicContact CE1-CZ 3.95Å; Y574-F576 HydrophobicContact CD2-CE2 4.33Å; Y574-F576 HydrophobicContact CD2-CZ 4.1Å; Y574-F576 HydrophobicContact CE2-CE1 4.04Å; Y574-F576 HydrophobicContact CE2-CE2 4.19Å; Y574-F576 AromaticContact CE2-CZ 3.57Å; Y574-F576 HydrophobicContact CE2-CZ 3.57Å; F576-E580 WeakPolarHBondContact CA-OE2 3.36Å; F576-E580 HydrophobicContact CB-CB 4.21Å; F576-E580 WeakPolarHBondContact CB-OE2 3.48Å; F576-E580 HydrophobicContact CD1-CB 4.37Å
577	T	97.1	Very high	96.6	Very high	33 Å²	33	52.2 Å²	52.2	20%	0.202	27%	0.268	C	S	.	.			trans	-82.9	161.5	176.3	71.2	0	0	0	0	111.5	E541 P579 E580 K581	E541-T577 HydrophobicContact CB-CG2 4.3Å; E541-T577 HydrophobicContact CG-CG2 4.44Å; E541-T577 WeakPolarHBondContact OE2-CG2 3.38Å; T577-P579 WeakPolarHBondContact OG1-CD 3.18Å; T577-E580 PolarHBondContact N-OE2 2.84Å; T577-E580 WeakPolarHBondContact O-CB 3.31Å; T577-E580 PolarHBondContact O-N 2.63Å; T577-E580 VanDerWaalsContact O-N 3.1Å; T577-E580 WeakPolarHBondContact OG1-CG 3.24Å; T577-E580 PolarHBondContact OG1-N 3.36Å; T577-K581 PolarHBondContact O-N 3.48Å; T577-K581 VanDerWaalsContact O-N 3.13Å
578	D	95.7	Very high	96.8	Very high	106 Å²	106	48.7 Å²	48.7	57%	0.567	25%	0.245	S	C	*	.	H	α-helix	trans	-62.4	-37.6	175.2	-66.4	-29	0	0	0	112.9	E580 K581 I582	D578-E580 VanDerWaalsContact C-N 3.29Å; D578-E580 PolarHBondContact O-N 3.04Å; D578-K581 WeakPolarHBondContact O-CB 3.14Å; D578-K581 PolarHBondContact O-N 3.14Å; D578-K581 IonicContact OD1-NZ 3.14Å; D578-K581 PolarHBondContact OD1-NZ 3.4Å; D578-I582 PolarHBondContact O-N 2.89Å; D578-I582 VanDerWaalsContact O-N 3.14Å
579	P	97.1	Very high	96.9	Very high	75 Å²	75	49.6 Å²	49.6	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-55.5	-39.2	167.3	-29.1	36.3	0	0	0	114.2	T577 I582 F583	T577-P579 WeakPolarHBondContact OG1-CD 3.18Å; P579-I582 PolarHBondContact O-N 3.4Å; P579-F583 WeakPolarHBondContact O-CB 3.32Å; P579-F583 PolarHBondContact O-N 2.96Å
580	E	97.8	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-33.6	177.3	-74.7	170.8	159	0	0	112.6	T540 E541 Y559 F576 T577 D578 F583 S584	T540-E580 VanDerWaalsContact CA-OE1 3.28Å; T540-E580 WeakPolarHBondContact CA-OE1 3.42Å; E541-E580 PolarHBondContact N-OE1 3.49Å; Y559-E580 HydrophobicContact CE1-CB 4.02Å; Y559-E580 HydrophobicContact CE1-CG 4.21Å; Y559-E580 PolarHBondContact OH-OE1 3.25Å; F576-E580 WeakPolarHBondContact CA-OE2 3.36Å; F576-E580 HydrophobicContact CB-CB 4.21Å; F576-E580 WeakPolarHBondContact CB-OE2 3.48Å; F576-E580 HydrophobicContact CD1-CB 4.37Å; T577-E580 PolarHBondContact N-OE2 2.84Å; T577-E580 WeakPolarHBondContact O-CB 3.31Å; T577-E580 PolarHBondContact O-N 2.63Å; T577-E580 VanDerWaalsContact O-N 3.1Å; T577-E580 WeakPolarHBondContact OG1-CG 3.24Å; T577-E580 PolarHBondContact OG1-N 3.36Å; D578-E580 VanDerWaalsContact C-N 3.29Å; D578-E580 PolarHBondContact O-N 3.04Å; E580-F583 PolarHBondContact O-N 3.32Å; E580-S584 WeakPolarHBondContact O-CB 3.27Å; E580-S584 PolarHBondContact O-N 2.62Å
581	K	97	Very high	97.1	Very high	51 Å²	51	48.8 Å²	48.8	22%	0.222	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-45.8	170.8	-68.6	176.5	-168.5	157.2	0	112.1	P564 Y565 T577 D578 F583 S584 S585	P564-K581 HydrophobicContact CB-CB 4.4Å; P564-K581 HydrophobicContact CB-CG 3.77Å; P564-K581 WeakPolarHBondContact O-CE 3.36Å; P564-K581 WeakPolarHBondContact O-CG 3.27Å; Y565-K581 HydrophobicContact CD1-CD 4.23Å; Y565-K581 HydrophobicContact CD1-CG 4.37Å; Y565-K581 HydrophobicContact CE1-CB 3.93Å; Y565-K581 HydrophobicContact CE1-CD 4.06Å; Y565-K581 HydrophobicContact CE1-CG 4.16Å; Y565-K581 HydrophobicContact CE2-CB 4.04Å; Y565-K581 WeakPolarHBondContact CE2-O 3.46Å; Y565-K581 PolarHBondContact OH-O 3.07Å; T577-K581 PolarHBondContact O-N 3.48Å; T577-K581 VanDerWaalsContact O-N 3.13Å; D578-K581 WeakPolarHBondContact O-CB 3.14Å; D578-K581 PolarHBondContact O-N 3.14Å; D578-K581 IonicContact OD1-NZ 3.14Å; D578-K581 PolarHBondContact OD1-NZ 3.4Å; K581-F583 VanDerWaalsContact C-N 3.32Å; K581-F583 PolarHBondContact O-N 2.92Å; K581-S584 PolarHBondContact O-N 2.89Å; K581-S585 PolarHBondContact O-N 3.5Å
582	I	95.9	Very high	97.2	Very high	118 Å²	118	41.8 Å²	41.8	61%	0.605	21%	0.211	S	C	*	.	H	α-helix	trans	-61.6	-43.7	176.2	-64.4	168.5	0	0	0	110.3	D578 P579 S585 R586	D578-I582 PolarHBondContact O-N 2.89Å; D578-I582 VanDerWaalsContact O-N 3.14Å; P579-I582 PolarHBondContact O-N 3.4Å; I582-S585 PolarHBondContact O-N 3Å; I582-R586 PolarHBondContact O-N 3.48Å; I582-R586 VanDerWaalsContact O-N 3.16Å
583	F	97.3	Very high	97.3	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-48.4	175.3	177.3	-96.3	0	0	0	111.2	F536 K538 Y559 P579 E580 K581 S585 R586 I587 L632 E633	F536-F583 HydrophobicContact CD2-CZ 4.42Å; F536-F583 AromaticContact CE2-CE1 3.66Å; F536-F583 HydrophobicContact CE2-CE1 3.66Å; F536-F583 AromaticContact CE2-CZ 3.61Å; F536-F583 HydrophobicContact CE2-CZ 3.61Å; F536-F583 AromaticContact CZ-CE1 3.83Å; F536-F583 HydrophobicContact CZ-CE1 3.83Å; F536-F583 HydrophobicContact CZ-CZ 4.07Å; K538-F583 HydrophobicContact CB-CD1 4.43Å; K538-F583 HydrophobicContact CB-CE1 3.7Å; K538-F583 HydrophobicContact CB-CE2 4.19Å; K538-F583 HydrophobicContact CB-CZ 3.56Å; K538-F583 HydrophobicContact CG-CD1 3.94Å; K538-F583 HydrophobicContact CG-CE1 3.68Å; K538-F583 HydrophobicContact CG-CE2 4.47Å; K538-F583 HydrophobicContact CG-CG 4.42Å; K538-F583 HydrophobicContact CG-CZ 3.98Å; Y559-F583 AromaticContact CD1-CD1 3.31Å; Y559-F583 HydrophobicContact CD1-CD1 3.31Å; Y559-F583 AromaticContact CD1-CE1 3.72Å; Y559-F583 HydrophobicContact CD1-CE1 3.72Å; Y559-F583 HydrophobicContact CD2-CE1 4.17Å; Y559-F583 AromaticContact CE1-CD1 3.54Å; Y559-F583 HydrophobicContact CE1-CD1 3.54Å; Y559-F583 HydrophobicContact CE1-CE1 4.05Å; Y559-F583 AromaticContact CG-CD1 3.83Å; Y559-F583 HydrophobicContact CG-CD1 3.83Å; Y559-F583 AromaticContact CG-CE1 3.72Å; Y559-F583 HydrophobicContact CG-CE1 3.72Å; P579-F583 WeakPolarHBondContact O-CB 3.32Å; P579-F583 PolarHBondContact O-N 2.96Å; E580-F583 PolarHBondContact O-N 3.32Å; K581-F583 VanDerWaalsContact C-N 3.32Å; K581-F583 PolarHBondContact O-N 2.92Å; F583-S585 PolarHBondContact O-N 3.14Å; F583-R586 WeakPolarHBondContact O-CB 3.28Å; F583-R586 PolarHBondContact O-N 2.75Å; F583-I587 HydrophobicContact CD1-CG1 4.06Å; F583-I587 HydrophobicContact CE1-CD1 4.22Å; F583-I587 HydrophobicContact CE1-CG1 3.64Å; F583-I587 HydrophobicContact CE2-CD1 4.1Å; F583-I587 HydrophobicContact CE2-CG1 4.23Å; F583-I587 HydrophobicContact CZ-CD1 3.77Å; F583-I587 HydrophobicContact CZ-CG1 3.73Å; F583-I587 WeakPolarHBondContact O-CG1 3.09Å; F583-I587 PolarHBondContact O-N 3.42Å; F583-L632 HydrophobicContact CZ-CB 4.49Å; F583-E633 WeakPolarHBondContact CE2-O 3.46Å
584	S	97.8	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-45.3	175.6	178.7	0	0	0	0	112.6	Y559 G562 E580 K581 R586 I587 M588	Y559-S584 PolarHBondContact O-OG 3.35Å; G562-S584 WeakPolarHBondContact CA-OG 3.42Å; E580-S584 WeakPolarHBondContact O-CB 3.27Å; E580-S584 PolarHBondContact O-N 2.62Å; K581-S584 PolarHBondContact O-N 2.89Å; S584-R586 PolarHBondContact O-N 2.77Å; S584-I587 PolarHBondContact O-N 3.01Å; S584-I587 VanDerWaalsContact O-N 3.09Å; S584-M588 WeakPolarHBondContact O-CG 3.26Å; S584-M588 PolarHBondContact O-N 2.98Å
585	S	96.4	Very high	97.4	Very high	39 Å²	39	35.1 Å²	35.1	27%	0.273	18%	0.181	S	C	.	.	H	α-helix	trans	-55.7	-37.9	174.8	-84.1	0	0	0	0	112.9	Y565 K581 I582 F583 K589	Y565-S585 PolarHBondContact OH-OG 2.83Å; K581-S585 PolarHBondContact O-N 3.5Å; I582-S585 PolarHBondContact O-N 3Å; F583-S585 PolarHBondContact O-N 3.14Å; S585-K589 WeakPolarHBondContact O-CB 3.26Å; S585-K589 PolarHBondContact O-N 3.25Å
586	R	96.1	Very high	97.4	Very high	75 Å²	75	31.7 Å²	31.7	28%	0.283	16%	0.161	S	C	.	.	H	α-helix	trans	-69	-44	175.1	-174.1	172.7	65.6	-154.1	5.2	112	I582 F583 S584 K589 M590 E633 D634 T636	I582-R586 PolarHBondContact O-N 3.48Å; I582-R586 VanDerWaalsContact O-N 3.16Å; F583-R586 WeakPolarHBondContact O-CB 3.28Å; F583-R586 PolarHBondContact O-N 2.75Å; S584-R586 PolarHBondContact O-N 2.77Å; R586-K589 PolarHBondContact O-N 2.99Å; R586-M590 HydrophobicContact CG-CE 3.84Å; R586-M590 HydrophobicContact CG-SD 4.44Å; R586-M590 WeakPolarHBondContact O-CG 3.36Å; R586-M590 PolarHBondContact O-N 3.43Å; R586-E633 PolarHBondContact NH2-O 2.87Å; R586-D634 PolarHBondContact NH1-O 2.56Å; R586-D634 PolarHBondContact NH2-O 3.07Å; R586-T636 VanDerWaalsContact CZ-OG1 3.25Å; R586-T636 PolarHBondContact NE-OG1 2.59Å; R586-T636 PolarHBondContact NH2-OG1 2.85Å
587	I	98	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-51	178.2	-63.3	-51.8	0	0	0	111.2	I560 F583 S584 K589 M590 W591 L632	I560-I587 HydrophobicContact CB-CG2 4.36Å; I560-I587 HydrophobicContact CG1-CG2 3.51Å; F583-I587 HydrophobicContact CD1-CG1 4.06Å; F583-I587 HydrophobicContact CE1-CD1 4.22Å; F583-I587 HydrophobicContact CE1-CG1 3.64Å; F583-I587 HydrophobicContact CE2-CD1 4.1Å; F583-I587 HydrophobicContact CE2-CG1 4.23Å; F583-I587 HydrophobicContact CZ-CD1 3.77Å; F583-I587 HydrophobicContact CZ-CG1 3.73Å; F583-I587 WeakPolarHBondContact O-CG1 3.09Å; F583-I587 PolarHBondContact O-N 3.42Å; S584-I587 PolarHBondContact O-N 3.01Å; S584-I587 VanDerWaalsContact O-N 3.09Å; I587-K589 PolarHBondContact O-N 2.95Å; I587-M590 PolarHBondContact O-N 3.23Å; I587-W591 HydrophobicContact CD1-CZ3 4.41Å; I587-W591 HydrophobicContact CG2-CD2 4.44Å; I587-W591 HydrophobicContact CG2-CE3 3.79Å; I587-W591 HydrophobicContact CG2-CH2 4.32Å; I587-W591 HydrophobicContact CG2-CZ3 3.73Å; I587-W591 PolarHBondContact O-N 3Å; I587-L632 HydrophobicContact CD1-CB 4.25Å; I587-L632 HydrophobicContact CD1-CD1 4.04Å; I587-L632 HydrophobicContact CD1-CD2 4.09Å; I587-L632 HydrophobicContact CD1-CG 4.36Å
588	M	97.9	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-52.7	-44.3	175.2	-71	-163.7	-76.6	0	0	111.7	I167 L168 Q172 I560 G562 Y565 S584 M590 W591 T592	I167-M588 HydrophobicContact CG2-CE 4.35Å; I167-M588 HydrophobicContact CG2-SD 4.16Å; L168-M588 HydrophobicContact CB-SD 4.48Å; L168-M588 HydrophobicContact CD1-CB 3.82Å; L168-M588 HydrophobicContact CD1-CG 3.79Å; L168-M588 HydrophobicContact CD1-SD 3.92Å; Q172-M588 HydrophobicContact CG-CB 3.98Å; I560-M588 WeakPolarHBondContact O-CG 3.46Å; G562-M588 WeakPolarHBondContact CA-SD 3.25Å; Y565-M588 HydrophobicContact CD2-CE 4.27Å; Y565-M588 HydrophobicContact CE2-CE 4.11Å; S584-M588 WeakPolarHBondContact O-CG 3.26Å; S584-M588 PolarHBondContact O-N 2.98Å; M588-M590 PolarHBondContact O-N 3.24Å; M588-W591 PolarHBondContact O-N 2.9Å; M588-T592 WeakPolarHBondContact O-CB 3.34Å; M588-T592 WeakPolarHBondContact O-CG2 2.92Å; M588-T592 PolarHBondContact O-N 3.42Å; M588-T592 PolarHBondContact O-OG1 2.73Å
589	K	97.2	Very high	97.4	Very high	103 Å²	103	27.4 Å²	27.4	45%	0.448	14%	0.138	S	C	.	.	H	α-helix	trans	-62.8	-43.2	178.3	-173.4	173.5	-178.2	176.8	0	112.1	S585 R586 I587 T592 N593	S585-K589 WeakPolarHBondContact O-CB 3.26Å; S585-K589 PolarHBondContact O-N 3.25Å; R586-K589 PolarHBondContact O-N 2.99Å; I587-K589 PolarHBondContact O-N 2.95Å; K589-T592 PolarHBondContact O-OG1 3.39Å; K589-N593 WeakPolarHBondContact O-CB 3.44Å; K589-N593 PolarHBondContact O-N 3.42Å; K589-N593 PolarHBondContact O-ND2 3.47Å
590	M	97.9	Very high	97.5	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.044	12%	0.115	C	C	.	.	H	α-helix	trans	-63.4	-46.2	178.7	-72	171.9	175	0	0	112.2	R586 I587 M588 F594 P600 W613 L630 L632 T636	R586-M590 HydrophobicContact CG-CE 3.84Å; R586-M590 HydrophobicContact CG-SD 4.44Å; R586-M590 WeakPolarHBondContact O-CG 3.36Å; R586-M590 PolarHBondContact O-N 3.43Å; I587-M590 PolarHBondContact O-N 3.23Å; M588-M590 PolarHBondContact O-N 3.24Å; M590-F594 PolarHBondContact O-N 3.37Å; M590-F594 VanDerWaalsContact O-N 3.09Å; M590-P600 WeakPolarHBondContact CA-O 3.39Å; M590-P600 HydrophobicContact CB-CB 4.29Å; M590-P600 WeakPolarHBondContact O-CA 3.5Å; M590-P600 WeakPolarHBondContact O-CB 3.34Å; M590-W613 HydrophobicContact CB-CZ3 4Å; M590-W613 HydrophobicContact CG-CE3 4.43Å; M590-W613 HydrophobicContact CG-CZ3 4.22Å; M590-W613 HydrophobicContact SD-CE3 4.07Å; M590-W613 HydrophobicContact SD-CZ3 3.73Å; M590-L630 HydrophobicContact CE-CD2 4.06Å; M590-L630 HydrophobicContact SD-CD2 4.29Å; M590-L632 HydrophobicContact SD-CD2 4.04Å; M590-T636 HydrophobicContact CE-CG2 4.37Å
591	W	98.6	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.5	-45.1	178.3	-95.4	-118.7	0	0	0	111.7	M145 I262 L394 Y534 I560 I587 M588 F594 A595 W613 L632	M145-W591 HydrophobicContact CE-CB 4.38Å; I262-W591 HydrophobicContact CD1-CG 4.3Å; L394-W591 HydrophobicContact CD2-CD2 4.02Å; L394-W591 HydrophobicContact CD2-CE3 4.39Å; L394-W591 HydrophobicContact CD2-CG 4.34Å; L394-W591 HydrophobicContact CD2-CZ2 4.44Å; Y534-W591 HydrophobicContact CD1-CH2 4.1Å; Y534-W591 HydrophobicContact CD1-CZ2 4.34Å; Y534-W591 HydrophobicContact CE1-CH2 4Å; Y534-W591 AromaticContact CE1-CZ2 3.81Å; Y534-W591 HydrophobicContact CE1-CZ2 3.81Å; Y534-W591 HydrophobicContact CG-CH2 4.44Å; I560-W591 HydrophobicContact CD1-CD2 4.39Å; I560-W591 HydrophobicContact CD1-CH2 4.31Å; I560-W591 HydrophobicContact CD1-CZ2 3.52Å; I560-W591 HydrophobicContact CG1-CD2 4.15Å; I560-W591 HydrophobicContact CG1-CH2 4.49Å; I560-W591 HydrophobicContact CG1-CZ2 4.01Å; I560-W591 HydrophobicContact CG2-CD2 4.49Å; I560-W591 HydrophobicContact CG2-CG 4.04Å; I587-W591 HydrophobicContact CD1-CZ3 4.41Å; I587-W591 HydrophobicContact CG2-CD2 4.44Å; I587-W591 HydrophobicContact CG2-CE3 3.79Å; I587-W591 HydrophobicContact CG2-CH2 4.32Å; I587-W591 HydrophobicContact CG2-CZ3 3.73Å; I587-W591 PolarHBondContact O-N 3Å; M588-W591 PolarHBondContact O-N 2.9Å; W591-F594 PolarHBondContact O-N 3.44Å; W591-A595 PolarHBondContact O-N 3.17Å; W591-W613 HydrophobicContact CZ3-CH2 4.23Å; W591-W613 HydrophobicContact CZ3-CZ3 4.45Å; W591-L632 HydrophobicContact CH2-CD1 3.67Å; W591-L632 HydrophobicContact CZ3-CD1 3.83Å
592	T	98.1	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-76	-31.6	-178.6	63	0	0	0	0	113.1	M145 L168 Q172 V174 M588 K589 F594 A595 K596	M145-T592 HydrophobicContact SD-CG2 3.79Å; L168-T592 HydrophobicContact CD1-CG2 3.69Å; L168-T592 HydrophobicContact CG-CG2 4.38Å; Q172-T592 HydrophobicContact CB-CG2 3.47Å; Q172-T592 VanDerWaalsContact CB-CG2 3.47Å; Q172-T592 WeakPolarHBondContact CB-OG1 3.04Å; Q172-T592 HydrophobicContact CG-CG2 3.68Å; Q172-T592 PolarHBondContact OE1-OG1 2.98Å; V174-T592 HydrophobicContact CG1-CG2 4.12Å; V174-T592 HydrophobicContact CG2-CG2 3.86Å; M588-T592 WeakPolarHBondContact O-CB 3.34Å; M588-T592 WeakPolarHBondContact O-CG2 2.92Å; M588-T592 PolarHBondContact O-N 3.42Å; M588-T592 PolarHBondContact O-OG1 2.73Å; K589-T592 PolarHBondContact O-OG1 3.39Å; T592-F594 VanDerWaalsContact C-N 3.31Å; T592-A595 CarbonylContact O-C 3.5Å; T592-A595 PolarHBondContact O-N 2.83Å; T592-K596 WeakPolarHBondContact O-CB 3.48Å; T592-K596 WeakPolarHBondContact O-CD 3.39Å; T592-K596 WeakPolarHBondContact O-CG 3.43Å; T592-K596 PolarHBondContact O-N 3.29Å; T592-K596 PolarHBondContact OG1-NZ 3.46Å
593	N	98.1	Very high	97.3	Very high	6 Å²	6	21 Å²	21	3%	0.032	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-45.7	168.6	-83	-8.3	0	0	0	110.7	K589 A595 K596 T597 H599 P600 K602	K589-N593 WeakPolarHBondContact O-CB 3.44Å; K589-N593 PolarHBondContact O-N 3.42Å; K589-N593 PolarHBondContact O-ND2 3.47Å; N593-A595 VanDerWaalsContact C-N 3.35Å; N593-A595 PolarHBondContact O-N 2.88Å; N593-K596 PolarHBondContact O-N 3.49Å; N593-T597 PolarHBondContact O-N 2.78Å; N593-T597 PolarHBondContact O-OG1 2.63Å; N593-H599 CarbonylContact C-O 3.58Å; N593-P600 WeakPolarHBondContact CB-O 3.47Å; N593-P600 PolarHBondContact ND2-O 2.87Å; N593-K602 WeakPolarHBondContact CB-O 3.48Å
594	F	98.5	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-44.8	174.1	177.5	-99.8	0	0	0	111.7	T234 R260 A261 I262 E392 L394 F532 M590 W591 T592 K596 G598 P600	T234-F594 HydrophobicContact CG2-CD1 4.45Å; T234-F594 HydrophobicContact CG2-CE1 4.34Å; R260-F594 HydrophobicContact CB-CE1 3.82Å; R260-F594 HydrophobicContact CB-CZ 4.08Å; R260-F594 WeakPolarHBondContact CD-O 3.27Å; A261-F594 WeakPolarHBondContact O-CE1 3.46Å; I262-F594 HydrophobicContact CD1-CD1 3.92Å; I262-F594 HydrophobicContact CD1-CE1 4.38Å; I262-F594 HydrophobicContact CG1-CD1 3.78Å; I262-F594 HydrophobicContact CG1-CE1 3.73Å; E392-F594 HydrophobicContact CB-CE2 4.34Å; E392-F594 HydrophobicContact CB-CZ 4.22Å; L394-F594 HydrophobicContact CB-CD1 4Å; L394-F594 HydrophobicContact CB-CD2 4.3Å; L394-F594 HydrophobicContact CB-CE1 3.91Å; L394-F594 HydrophobicContact CB-CE2 4.21Å; L394-F594 HydrophobicContact CB-CG 4.18Å; L394-F594 HydrophobicContact CB-CZ 4.01Å; L394-F594 HydrophobicContact CD2-CD1 4.49Å; L394-F594 HydrophobicContact CD2-CG 4.48Å; F532-F594 HydrophobicContact CD2-CD2 4.17Å; F532-F594 HydrophobicContact CD2-CE2 4.05Å; F532-F594 HydrophobicContact CE2-CD2 4.44Å; F532-F594 HydrophobicContact CE2-CE2 4.38Å; M590-F594 PolarHBondContact O-N 3.37Å; M590-F594 VanDerWaalsContact O-N 3.09Å; W591-F594 PolarHBondContact O-N 3.44Å; T592-F594 VanDerWaalsContact C-N 3.31Å; F594-K596 VanDerWaalsContact C-N 3.25Å; F594-K596 PolarHBondContact O-N 3.14Å; F594-G598 VanDerWaalsContact O-CA 3.26Å; F594-G598 WeakPolarHBondContact O-CA 3.4Å; F594-G598 PolarHBondContact O-N 3.15Å; F594-P600 HydrophobicContact CB-CB 4.22Å
595	A	98.1	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-27.4	176.3	0	0	0	0	0	113.9	M145 T234 R260 W591 T592 N593	M145-A595 HydrophobicContact CE-CB 4.36Å; M145-A595 HydrophobicContact CG-CB 3.61Å; M145-A595 HydrophobicContact SD-CB 3.64Å; T234-A595 HydrophobicContact CG2-CB 4.32Å; T234-A595 WeakPolarHBondContact OG1-CA 3.46Å; R260-A595 PolarHBondContact NH1-O 3.26Å; W591-A595 PolarHBondContact O-N 3.17Å; T592-A595 CarbonylContact O-C 3.5Å; T592-A595 PolarHBondContact O-N 2.83Å; N593-A595 VanDerWaalsContact C-N 3.35Å; N593-A595 PolarHBondContact O-N 2.88Å
596	K	96.6	Very high	96.1	Very high	26 Å²	26	30.8 Å²	30.8	11%	0.113	16%	0.159	C	C	.	.	H	α-helix	trans	-85.1	-51.3	176.6	-67.6	152.1	-175	166.4	0	112.2	P143 Q172 Q232 R260 T592 N593 F594 N604	P143-K596 HydrophobicContact CB-CG 4.37Å; P143-K596 HydrophobicContact CG-CB 4.26Å; P143-K596 HydrophobicContact CG-CG 3.75Å; Q172-K596 WeakPolarHBondContact O-CE 3.39Å; Q172-K596 PolarHBondContact O-NZ 2.87Å; Q232-K596 PolarHBondContact OE1-O 2.99Å; R260-K596 PolarHBondContact NH2-O 2.7Å; T592-K596 WeakPolarHBondContact O-CB 3.48Å; T592-K596 WeakPolarHBondContact O-CD 3.39Å; T592-K596 WeakPolarHBondContact O-CG 3.43Å; T592-K596 PolarHBondContact O-N 3.29Å; T592-K596 PolarHBondContact OG1-NZ 3.46Å; N593-K596 PolarHBondContact O-N 3.49Å; F594-K596 VanDerWaalsContact C-N 3.25Å; F594-K596 PolarHBondContact O-N 3.14Å; K596-N604 WeakPolarHBondContact CB-OD1 3.33Å; K596-N604 WeakPolarHBondContact CD-OD1 3.08Å
597	T	96.8	Very high	96	Very high	37 Å²	37	34 Å²	34	23%	0.227	18%	0.175	C	C	.	.	H	α-helix	trans	-111.6	-12.5	-164	73.3	0	0	0	0	114.1	N593 H599 K602	N593-T597 PolarHBondContact O-N 2.78Å; N593-T597 PolarHBondContact O-OG1 2.63Å; T597-H599 VanDerWaalsContact C-N 3.27Å; T597-H599 PolarHBondContact OG1-N 2.84Å; T597-H599 PolarHBondContact OG1-O 3.25Å; T597-H599 VanDerWaalsContact OG1-O 3.08Å; T597-K602 VanDerWaalsContact CG2-O 3.29Å; T597-K602 WeakPolarHBondContact CG2-O 3.42Å; T597-K602 PolarHBondContact OG1-O 2.94Å
598	G	97.2	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	76.3	12.8	-169.8	0	0	0	0	0	113.9	R260 F532 F594	R260-G598 VanDerWaalsContact NE-CA 3.25Å; F532-G598 WeakPolarHBondContact CE2-O 3.45Å; F594-G598 VanDerWaalsContact O-CA 3.26Å; F594-G598 WeakPolarHBondContact O-CA 3.4Å; F594-G598 PolarHBondContact O-N 3.15Å
599	H	97.6	Very high	95.6	Very high	34 Å²	34	39.9 Å²	39.9	16%	0.157	21%	0.209	C	C	.	.			trans	-143.5	120.8	178.6	-169.6	-51.2	0	0	0	110.7	F532 N593 T597 S601 K602 E612	F532-H599 AromaticContact CE1-CD2 3.94Å; F532-H599 AromaticContact CE1-CE1 3.76Å; F532-H599 AromaticContact CE1-NE2 3.67Å; F532-H599 HydrophobicContact CZ-CB 4.2Å; F532-H599 AromaticContact CZ-CD2 3.53Å; F532-H599 AromaticContact CZ-CG 3.73Å; F532-H599 AromaticContact CZ-NE2 3.76Å; N593-H599 CarbonylContact C-O 3.58Å; T597-H599 VanDerWaalsContact C-N 3.27Å; T597-H599 PolarHBondContact OG1-N 2.84Å; T597-H599 PolarHBondContact OG1-O 3.25Å; T597-H599 VanDerWaalsContact OG1-O 3.08Å; H599-S601 PolarHBondContact ND1-N 3.09Å; H599-S601 VanDerWaalsContact ND1-N 3.2Å; H599-S601 PolarHBondContact O-N 2.6Å; H599-K602 HydrophobicContact CB-CB 3.86Å; H599-K602 PolarHBondContact O-N 2.56Å; H599-K602 VanDerWaalsContact O-N 3.12Å; H599-E612 IonicContact CE1-OE1 2.7Å; H599-E612 IonicContact NE2-OE1 3.42Å; H599-E612 PolarHBondContact NE2-OE1 3.14Å
600	P	98	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-31.8	-171.1	26.5	-34.3	0	0	0	113.6	F532 M590 N593 F594 W613	F532-P600 HydrophobicContact CB-CG 4.1Å; F532-P600 HydrophobicContact CD1-CG 3.72Å; F532-P600 HydrophobicContact CD2-CG 4.23Å; F532-P600 HydrophobicContact CE1-CG 4.18Å; F532-P600 HydrophobicContact CG-CG 3.74Å; M590-P600 WeakPolarHBondContact CA-O 3.39Å; M590-P600 HydrophobicContact CB-CB 4.29Å; M590-P600 WeakPolarHBondContact O-CA 3.5Å; M590-P600 WeakPolarHBondContact O-CB 3.34Å; N593-P600 WeakPolarHBondContact CB-O 3.47Å; N593-P600 PolarHBondContact ND2-O 2.87Å; F594-P600 HydrophobicContact CB-CB 4.22Å; P600-W613 HydrophobicContact CB-CD2 4.11Å; P600-W613 HydrophobicContact CB-CE3 3.46Å; P600-W613 VanDerWaalsContact CB-CE3 3.46Å; P600-W613 HydrophobicContact CB-CZ3 3.83Å; P600-W613 HydrophobicContact CG-CB 3.81Å; P600-W613 HydrophobicContact CG-CD2 3.5Å; P600-W613 VanDerWaalsContact CG-CD2 3.5Å; P600-W613 HydrophobicContact CG-CE3 3.41Å; P600-W613 VanDerWaalsContact CG-CE3 3.41Å; P600-W613 HydrophobicContact CG-CG 3.72Å; P600-W613 HydrophobicContact CG-CZ3 4.13Å
601	S	97.3	Very high	95	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.4	175	-53.7	0	0	0	0	115.3	H599 I608 S609 W613	H599-S601 PolarHBondContact ND1-N 3.09Å; H599-S601 VanDerWaalsContact ND1-N 3.2Å; H599-S601 PolarHBondContact O-N 2.6Å; S601-I608 CarbonylContact O-C 3.6Å; S601-I608 WeakPolarHBondContact O-CA 3.28Å; S601-S609 WeakPolarHBondContact CA-OG 3.49Å; S601-S609 WeakPolarHBondContact CB-OG 3.44Å; S601-S609 PolarHBondContact O-N 3.33Å; S601-S609 PolarHBondContact O-OG 2.79Å; S601-W613 VanDerWaalsContact OG-CB 3.26Å; S601-W613 WeakPolarHBondContact OG-CB 3.35Å; S601-W613 PolarHBondContact OG-N 2.76Å
602	K	97	Very high	94.9	Very high	90 Å²	90	47.8 Å²	47.8	39%	0.391	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-100.8	116.4	-170.6	-169.6	-179.8	179.9	177.3	0	111.3	N593 T597 H599 K607	N593-K602 WeakPolarHBondContact CB-O 3.48Å; T597-K602 VanDerWaalsContact CG2-O 3.29Å; T597-K602 WeakPolarHBondContact CG2-O 3.42Å; T597-K602 PolarHBondContact OG1-O 2.94Å; H599-K602 HydrophobicContact CB-CB 3.86Å; H599-K602 PolarHBondContact O-N 2.56Å; H599-K602 VanDerWaalsContact O-N 3.12Å; K602-K607 WeakPolarHBondContact CA-O 3.07Å
603	S	93.1	Very high	94.8	Very high	18 Å²	18	47.8 Å²	47.8	13%	0.126	26%	0.26	C	S	.	.			trans	-77.7	167.8	172	48.7	0	0	0	0	112.6	D605 G606 K607	S603-D605 WeakPolarHBondContact CB-OD1 3.4Å; S603-D605 PolarHBondContact O-N 2.84Å; S603-D605 PolarHBondContact OG-OD1 3.04Å; S603-G606 WeakPolarHBondContact O-CA 3.34Å; S603-G606 PolarHBondContact O-N 3.2Å; S603-K607 PolarHBondContact N-O 3.36Å; S603-K607 WeakPolarHBondContact OG-CB 3.47Å; S603-K607 PolarHBondContact OG-N 3.4Å; S603-K607 PolarHBondContact OG-O 3.38Å; S603-K607 VanDerWaalsContact OG-O 3.09Å
604	N	86.1	Confident	94.7	Very high	115 Å²	115	48.7 Å²	48.7	62%	0.615	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.5	-179.7	-73.9	-1.8	0	0	0	114	K596 G606	K596-N604 WeakPolarHBondContact CB-OD1 3.33Å; K596-N604 WeakPolarHBondContact CD-OD1 3.08Å; N604-G606 PolarHBondContact O-N 3.12Å
605	D	89.8	Confident	94.6	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.4	175.6	66.9	-12.7	0	0	0	113.2	S603 K607	S603-D605 WeakPolarHBondContact CB-OD1 3.4Å; S603-D605 PolarHBondContact O-N 2.84Å; S603-D605 PolarHBondContact OG-OD1 3.04Å; D605-K607 PolarHBondContact OD1-N 3.42Å; D605-K607 VanDerWaalsContact OD2-CD 3.27Å; D605-K607 WeakPolarHBondContact OD2-CD 3.36Å; D605-K607 WeakPolarHBondContact OD2-CE 3.11Å; D605-K607 IonicContact OD2-NZ 3.36Å; D605-K607 PolarHBondContact OD2-NZ 2.97Å
606	G	90.9	Very high	94.5	Very high	37 Å²	37	52.8 Å²	52.8	38%	0.381	29%	0.287	S	S	.	.	S	Bend	trans	84.5	0.9	177.5	0	0	0	0	0	115.1	S603 N604	S603-G606 WeakPolarHBondContact O-CA 3.34Å; S603-G606 PolarHBondContact O-N 3.2Å; N604-G606 PolarHBondContact O-N 3.12Å
607	K	94.1	Very high	94.1	Very high	142 Å²	142	57.6 Å²	57.6	62%	0.617	31%	0.309	S	S	*	.			trans	-68.4	141.3	174	-63.7	176.6	-176.6	134.3	0	110.7	K602 S603 D605	K602-K607 WeakPolarHBondContact CA-O 3.07Å; S603-K607 PolarHBondContact N-O 3.36Å; S603-K607 WeakPolarHBondContact OG-CB 3.47Å; S603-K607 PolarHBondContact OG-N 3.4Å; S603-K607 PolarHBondContact OG-O 3.38Å; S603-K607 VanDerWaalsContact OG-O 3.09Å; D605-K607 PolarHBondContact OD1-N 3.42Å; D605-K607 VanDerWaalsContact OD2-CD 3.27Å; D605-K607 WeakPolarHBondContact OD2-CD 3.36Å; D605-K607 WeakPolarHBondContact OD2-CE 3.11Å; D605-K607 IonicContact OD2-NZ 3.36Å; D605-K607 PolarHBondContact OD2-NZ 2.97Å
608	I	94.1	Very high	93.5	Very high	84 Å²	84	57 Å²	57	43%	0.431	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-108.9	124.5	178.1	-60.5	175.7	0	0	0	108	S601 E612	S601-I608 CarbonylContact O-C 3.6Å; S601-I608 WeakPolarHBondContact O-CA 3.28Å; I608-E612 HydrophobicContact CG2-CB 3.86Å; I608-E612 HydrophobicContact CG2-CG 3.68Å
609	S	91.8	Very high	92.4	Very high	40 Å²	40	58.3 Å²	58.3	28%	0.28	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-72.8	145.1	174.4	63.4	0	0	0	0	111.4	S601 P611 E612	S601-S609 WeakPolarHBondContact CA-OG 3.49Å; S601-S609 WeakPolarHBondContact CB-OG 3.44Å; S601-S609 PolarHBondContact O-N 3.33Å; S601-S609 PolarHBondContact O-OG 2.79Å; S609-P611 CarbonylContact O-C 3.58Å; S609-P611 VanDerWaalsContact O-C 3.25Å; S609-P611 VanDerWaalsContact O-O 3.09Å; S609-E612 WeakPolarHBondContact O-CA 3.11Å; S609-E612 PolarHBondContact O-N 2.82Å
610	T	90.6	Very high	91	Very high	137 Å²	137	61.8 Å²	61.8	84%	0.84	34%	0.335	S	S	*	.	S	Bend	trans	-100.8	140.2	175.7	54	0	0	0	0	112.1
611	P	93.2	Very high	89.1	Confident	42 Å²	42	65.4 Å²	65.4	27%	0.273	37%	0.372	S	S	.	.	S	Bend	cis	-62.9	146.2	-12.3	29.2	-34.7	0	0	0	111	S609 L630 T636 L638	S609-P611 CarbonylContact O-C 3.58Å; S609-P611 VanDerWaalsContact O-C 3.25Å; S609-P611 VanDerWaalsContact O-O 3.09Å; P611-L630 HydrophobicContact CG-CD1 4.08Å; P611-T636 HydrophobicContact CG-CG2 3.93Å; P611-L638 HydrophobicContact CB-CD1 4.39Å; P611-L638 HydrophobicContact CB-CD2 4.16Å; P611-L638 HydrophobicContact CB-CG 4.08Å
612	E	95.3	Very high	87.6	Confident	98 Å²	98	73.3 Å²	73.3	46%	0.458	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-67.3	135.1	171.8	-178	170.7	-164.1	0	0	108.7	H599 I608 S609 P614	H599-E612 IonicContact CE1-OE1 2.7Å; H599-E612 IonicContact NE2-OE1 3.42Å; H599-E612 PolarHBondContact NE2-OE1 3.14Å; I608-E612 HydrophobicContact CG2-CB 3.86Å; I608-E612 HydrophobicContact CG2-CG 3.68Å; S609-E612 WeakPolarHBondContact O-CA 3.11Å; S609-E612 PolarHBondContact O-N 2.82Å; E612-P614 VanDerWaalsContact O-CD 3.31Å; E612-P614 WeakPolarHBondContact O-CD 3.2Å
613	W	96.9	Very high	86.1	Confident	1 Å²	1	74.3 Å²	74.3	0%	0.004	42%	0.42	C	S	.	.			trans	-72.8	114.8	179.5	-161.3	-38.2	0	0	0	108.3	L394 F532 L533 Y534 M590 W591 P600 S601 L630 L632	L394-W613 HydrophobicContact CD1-CH2 3.52Å; L394-W613 HydrophobicContact CD1-CZ2 3.36Å; L394-W613 HydrophobicContact CD1-CZ3 4.39Å; F532-W613 HydrophobicContact CB-CG 4.5Å; F532-W613 HydrophobicContact CB-CZ2 4.48Å; F532-W613 HydrophobicContact CD1-CB 4.19Å; F532-W613 AromaticContact CD1-CD1 3.76Å; F532-W613 AromaticContact CD1-CG 3.97Å; F532-W613 HydrophobicContact CD1-CG 3.97Å; F532-W613 WeakPolarHBondContact CE1-O 2.83Å; L533-W613 PolarHBondContact O-NE1 3.1Å; Y534-W613 HydrophobicContact CD1-CH2 4.2Å; Y534-W613 HydrophobicContact CD1-CZ2 4.11Å; Y534-W613 HydrophobicContact CG-CH2 4.36Å; Y534-W613 HydrophobicContact CG-CZ2 4.26Å; M590-W613 HydrophobicContact CB-CZ3 4Å; M590-W613 HydrophobicContact CG-CE3 4.43Å; M590-W613 HydrophobicContact CG-CZ3 4.22Å; M590-W613 HydrophobicContact SD-CE3 4.07Å; M590-W613 HydrophobicContact SD-CZ3 3.73Å; W591-W613 HydrophobicContact CZ3-CH2 4.23Å; W591-W613 HydrophobicContact CZ3-CZ3 4.45Å; P600-W613 HydrophobicContact CB-CD2 4.11Å; P600-W613 HydrophobicContact CB-CE3 3.46Å; P600-W613 VanDerWaalsContact CB-CE3 3.46Å; P600-W613 HydrophobicContact CB-CZ3 3.83Å; P600-W613 HydrophobicContact CG-CB 3.81Å; P600-W613 HydrophobicContact CG-CD2 3.5Å; P600-W613 VanDerWaalsContact CG-CD2 3.5Å; P600-W613 HydrophobicContact CG-CE3 3.41Å; P600-W613 VanDerWaalsContact CG-CE3 3.41Å; P600-W613 HydrophobicContact CG-CG 3.72Å; P600-W613 HydrophobicContact CG-CZ3 4.13Å; S601-W613 VanDerWaalsContact OG-CB 3.26Å; S601-W613 WeakPolarHBondContact OG-CB 3.35Å; S601-W613 PolarHBondContact OG-N 2.76Å; W613-L630 HydrophobicContact CB-CD2 4.3Å; W613-L630 HydrophobicContact CD2-CB 3.85Å; W613-L630 HydrophobicContact CD2-CD2 3.46Å; W613-L630 VanDerWaalsContact CD2-CD2 3.46Å; W613-L630 HydrophobicContact CD2-CG 4.3Å; W613-L630 HydrophobicContact CE3-CB 4.46Å; W613-L630 HydrophobicContact CE3-CD2 3.34Å; W613-L630 HydrophobicContact CG-CB 4.05Å; W613-L630 HydrophobicContact CG-CD2 3.89Å; W613-L630 HydrophobicContact CG-CG 4.5Å; W613-L630 HydrophobicContact CH2-CD2 4.48Å; W613-L630 HydrophobicContact CZ2-CB 4.22Å; W613-L630 HydrophobicContact CZ3-CD2 3.88Å; W613-L632 HydrophobicContact CH2-CD1 4.22Å; W613-L632 HydrophobicContact CH2-CD2 4.47Å; W613-L632 HydrophobicContact CZ3-CD2 4.41Å
614	P	96.2	Very high	85	Confident	24 Å²	24	75.6 Å²	75.6	16%	0.156	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-68	152.1	-175.9	28.8	-35.7	0	0	0	111	E612 P627 L638	E612-P614 VanDerWaalsContact O-CD 3.31Å; E612-P614 WeakPolarHBondContact O-CD 3.2Å; P614-P627 WeakPolarHBondContact CB-O 3.14Å; P614-P627 HydrophobicContact CG-CB 4.24Å; P614-L638 HydrophobicContact CG-CD2 4.1Å
615	L	95.7	Very high	84.7	Confident	65 Å²	65	76.6 Å²	76.6	34%	0.34	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-69	132.3	166	-73.5	172	0	0	0	109.4	K530 F532 H617	K530-L615 HydrophobicContact CB-CD2 4.07Å; K530-L615 HydrophobicContact CG-CD2 4.32Å; F532-L615 HydrophobicContact CD1-CD2 4.44Å; F532-L615 HydrophobicContact CE1-CD2 3.78Å; F532-L615 HydrophobicContact CE1-CG 4.39Å; F532-L615 HydrophobicContact CE2-CD2 4.06Å; F532-L615 HydrophobicContact CZ-CD2 3.56Å; L615-H617 PolarHBondContact O-CD2 3.3Å
616	F	95.6	Very high	84.6	Confident	21 Å²	21	77.6 Å²	77.6	9%	0.092	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-77.5	129.5	168	177.5	-99	0	0	0	109.1	A520 A524 V531 L533 D628	A520-F616 HydrophobicContact CB-CD1 4.27Å; A520-F616 HydrophobicContact CB-CE1 3.96Å; A524-F616 HydrophobicContact CB-CD1 3.96Å; A524-F616 HydrophobicContact CB-CE1 4.1Å; V531-F616 HydrophobicContact CB-CB 4.13Å; V531-F616 HydrophobicContact CB-CD1 4.2Å; V531-F616 HydrophobicContact CG1-CB 4.04Å; V531-F616 HydrophobicContact CG1-CD1 3.86Å; V531-F616 HydrophobicContact CG1-CG 4.32Å; V531-F616 WeakPolarHBondContact O-CB 3.45Å; V531-F616 PolarHBondContact O-N 3.41Å; L533-F616 HydrophobicContact CB-CB 4.06Å; L533-F616 HydrophobicContact CB-CD2 4.08Å; L533-F616 HydrophobicContact CB-CG 4.19Å; L533-F616 HydrophobicContact CD2-CD2 3.63Å; L533-F616 HydrophobicContact CD2-CE2 3.74Å; L533-F616 HydrophobicContact CD2-CG 4.42Å; F616-D628 HydrophobicContact CD2-CB 4.16Å
617	H	88.3	Confident	84.7	Confident	127 Å²	127	78.4 Å²	78.4	59%	0.588	44%	0.438	S	S	*	.			trans	-116.6	142	178.2	-65.2	-66.9	0	0	0	110	L615 T619	L615-H617 PolarHBondContact O-CD2 3.3Å; H617-T619 PolarHBondContact O-N 2.95Å
618	S	84.4	Confident	84.6	Confident	24 Å²	24	72.2 Å²	72.2	17%	0.168	41%	0.412	C	S	.	.			trans	-55.9	125.4	170.2	177.7	0	0	0	0	109.3	R525 D620	R525-S618 WeakPolarHBondContact CG-OG 3.37Å; R525-S618 PolarHBondContact NE-OG 2.97Å; S618-D620 PolarHBondContact O-N 2.91Å; S618-D620 PolarHBondContact OG-OD1 3.4Å
619	T	74.3	Confident	84.8	Confident	28 Å²	28	69.3 Å²	69.3	17%	0.172	40%	0.396	C	S	.	.			trans	-84.4	93.6	167.4	52.4	0	0	0	0	106.5	H617 G621 F622	H617-T619 PolarHBondContact O-N 2.95Å; T619-G621 PolarHBondContact O-N 2.92Å; T619-F622 WeakPolarHBondContact CB-O 3.44Å
620	D	68.8	Low	85	Confident	108 Å²	108	67.4 Å²	67.4	58%	0.578	38%	0.383	S	S	*	.	S	Bend	trans	-70.7	53.5	175.4	-64.5	-26.5	0	0	0	110.8	R525 S618 F622	R525-D620 IonicContact NE-OD1 3.75Å; S618-D620 PolarHBondContact O-N 2.91Å; S618-D620 PolarHBondContact OG-OD1 3.4Å; D620-F622 VanDerWaalsContact C-N 3.27Å; D620-F622 WeakPolarHBondContact O-CD2 3.45Å; D620-F622 PolarHBondContact O-N 3.33Å
621	G	58.9	Low	85.4	Confident	76 Å²	76	62.2 Å²	62.2	78%	0.784	35%	0.349	S	S	*	.	S	Bend	trans	79.2	-5.4	-171.3	0	0	0	0	0	115.3	T619	T619-G621 PolarHBondContact O-N 2.92Å
622	F	64.6	Low	85.6	Confident	166 Å²	166	60.2 Å²	60.2	73%	0.728	34%	0.336	S	S	*	.			trans	-92.3	126.9	-178.3	-66.6	-79.3	0	0	0	112.7	T619 D620 S624	T619-F622 WeakPolarHBondContact CB-O 3.44Å; D620-F622 VanDerWaalsContact C-N 3.27Å; D620-F622 WeakPolarHBondContact O-CD2 3.45Å; D620-F622 PolarHBondContact O-N 3.33Å; F622-S624 PolarHBondContact O-N 3.04Å
623	V	66	Low	85.6	Confident	111 Å²	111	57.1 Å²	57.1	67%	0.673	32%	0.322	S	S	*	.			trans	-75.5	105.5	172.5	-179.1	0	0	0	0	108.9
624	S	70.5	Confident	85.4	Confident	46 Å²	46	61.4 Å²	61.4	32%	0.322	35%	0.345	S	S	.	.			trans	-90.1	134.5	163.5	-178.9	0	0	0	0	109.6	F622 N626 R644	F622-S624 PolarHBondContact O-N 3.04Å; S624-N626 WeakPolarHBondContact OG-CB 3.34Å; S624-N626 PolarHBondContact OG-N 3.41Å; S624-N626 VanDerWaalsContact OG-N 3.14Å; S624-R644 PolarHBondContact O-NH1 2.8Å; S624-R644 VanDerWaalsContact O-NH1 3.13Å
625	N	78.3	Confident	85.3	Confident	136 Å²	136	67 Å²	67	73%	0.727	37%	0.369	S	S	*	.			trans	-90	-4.4	169.5	-70.9	-15	0	0	0	112.2
626	N	88.4	Confident	85.1	Confident	116 Å²	116	65 Å²	65	62%	0.62	36%	0.359	S	S	*	.	S	Bend	trans	-69.8	145.6	176.7	-64.2	-26.2	0	0	0	109.9	S624 D628 S640	S624-N626 WeakPolarHBondContact OG-CB 3.34Å; S624-N626 PolarHBondContact OG-N 3.41Å; S624-N626 VanDerWaalsContact OG-N 3.14Å; N626-D628 PolarHBondContact O-N 3.36Å; N626-S640 WeakPolarHBondContact O-CB 3.47Å
627	P	91.8	Very high	85.1	Confident	55 Å²	55	68.7 Å²	68.7	36%	0.357	38%	0.375	S	S	.	.			trans	-57.1	130.8	173.1	-26.4	35.7	0	0	0	112.6	P614 L638 G639	P614-P627 WeakPolarHBondContact CB-O 3.14Å; P614-P627 HydrophobicContact CG-CB 4.24Å; P627-L638 HydrophobicContact CB-CB 3.85Å; P627-L638 HydrophobicContact CB-CD1 4.33Å; P627-L638 HydrophobicContact CB-CD2 4.18Å; P627-L638 HydrophobicContact CB-CG 4.35Å; P627-L638 HydrophobicContact CG-CB 3.94Å; P627-L638 HydrophobicContact CG-CD1 4.08Å; P627-L638 HydrophobicContact CG-CG 4.49Å; P627-G639 CarbonylContact C-O 3.34Å; P627-G639 WeakPolarHBondContact CA-O 3.27Å
628	D	93.9	Very high	85.5	Confident	12 Å²	12	66.7 Å²	66.7	6%	0.064	37%	0.368	C	S	.	.			trans	-128.1	-0.1	-179.6	58.5	4.3	0	0	0	112.7	F616 N626 G639 S640 G641 R644	F616-D628 HydrophobicContact CD2-CB 4.16Å; N626-D628 PolarHBondContact O-N 3.36Å; D628-G639 PolarHBondContact N-O 2.86Å; D628-S640 VanDerWaalsContact OD1-CA 3.24Å; D628-S640 WeakPolarHBondContact OD1-CA 3.48Å; D628-G641 PolarHBondContact OD1-N 3.32Å; D628-G641 PolarHBondContact OD2-N 3.46Å; D628-R644 IonicContact OD2-NH2 2.71Å; D628-R644 PolarHBondContact OD2-NH2 2.74Å
629	Y	96.8	Very high	86	Confident	23 Å²	23	65.9 Å²	65.9	9%	0.09	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	171.4	172.1	73.4	-85.5	0	0	0	113	L533 H535 I631 G639 S640 L642	L533-Y629 VanDerWaalsContact O-CA 3.28Å; L533-Y629 WeakPolarHBondContact O-CA 3.23Å; L533-Y629 VanDerWaalsContact O-CB 3.24Å; L533-Y629 WeakPolarHBondContact O-CB 3.25Å; H535-Y629 HydrophobicContact CB-CD2 3.93Å; H535-Y629 HydrophobicContact CB-CE2 3.69Å; Y629-I631 HydrophobicContact CD2-CG1 4.19Å; Y629-I631 HydrophobicContact CE2-CD1 4.23Å; Y629-I631 HydrophobicContact CE2-CG1 3.45Å; Y629-I631 VanDerWaalsContact CE2-CG1 3.45Å; Y629-G639 VanDerWaalsContact CD1-C 3.45Å; Y629-G639 WeakPolarHBondContact CD1-O 3.48Å; Y629-G639 PolarHBondContact N-O 3.14Å; Y629-G639 PolarHBondContact O-N 3.13Å; Y629-S640 VanDerWaalsContact CE1-C 3.47Å; Y629-L642 HydrophobicContact CD1-CB 3.74Å; Y629-L642 HydrophobicContact CD2-CB 4.43Å; Y629-L642 HydrophobicContact CD2-CD2 4.33Å; Y629-L642 HydrophobicContact CE1-CB 3.57Å; Y629-L642 HydrophobicContact CE2-CB 4.27Å; Y629-L642 HydrophobicContact CE2-CD1 4.01Å; Y629-L642 HydrophobicContact CE2-CD2 4.45Å; Y629-L642 HydrophobicContact CE2-CG 4.49Å; Y629-L642 HydrophobicContact CG-CB 4.18Å
630	L	97.2	Very high	86.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.8	177.4	-157.9	68.5	0	0	0	111.1	L533 Y534 H535 M590 P611 W613 L632 T636 K637 L638	L533-L630 PolarHBondContact O-N 3.41Å; Y534-L630 CarbonylContact C-O 3.58Å; Y534-L630 WeakPolarHBondContact CA-O 3.3Å; H535-L630 PolarHBondContact N-O 3.1Å; M590-L630 HydrophobicContact CE-CD2 4.06Å; M590-L630 HydrophobicContact SD-CD2 4.29Å; P611-L630 HydrophobicContact CG-CD1 4.08Å; W613-L630 HydrophobicContact CB-CD2 4.3Å; W613-L630 HydrophobicContact CD2-CB 3.85Å; W613-L630 HydrophobicContact CD2-CD2 3.46Å; W613-L630 VanDerWaalsContact CD2-CD2 3.46Å; W613-L630 HydrophobicContact CD2-CG 4.3Å; W613-L630 HydrophobicContact CE3-CB 4.46Å; W613-L630 HydrophobicContact CE3-CD2 3.34Å; W613-L630 HydrophobicContact CG-CB 4.05Å; W613-L630 HydrophobicContact CG-CD2 3.89Å; W613-L630 HydrophobicContact CG-CG 4.5Å; W613-L630 HydrophobicContact CH2-CD2 4.48Å; W613-L630 HydrophobicContact CZ2-CB 4.22Å; W613-L630 HydrophobicContact CZ3-CD2 3.88Å; L630-L632 HydrophobicContact CD2-CD2 3.74Å; L630-L632 HydrophobicContact CG-CD2 4.09Å; L630-T636 HydrophobicContact CD1-CG2 3.41Å; L630-T636 VanDerWaalsContact CD1-CG2 3.41Å; L630-T636 HydrophobicContact CD2-CG2 3.47Å; L630-T636 VanDerWaalsContact CD2-CG2 3.47Å; L630-T636 HydrophobicContact CG-CG2 3.37Å; L630-K637 WeakPolarHBondContact CD1-O 3.44Å; L630-L638 HydrophobicContact CD1-CD2 4Å
631	I	98	Very high	87.9	Confident	28 Å²	28	63.1 Å²	63.1	14%	0.144	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.8	171	-56.7	161.7	0	0	0	107.7	H535 N537 Y629 E633 T636 K637	H535-I631 CarbonylContact O-C 3.58Å; H535-I631 WeakPolarHBondContact O-CA 3.38Å; N537-I631 HydrophobicContact CB-CG2 4.23Å; Y629-I631 HydrophobicContact CD2-CG1 4.19Å; Y629-I631 HydrophobicContact CE2-CD1 4.23Å; Y629-I631 HydrophobicContact CE2-CG1 3.45Å; Y629-I631 VanDerWaalsContact CE2-CG1 3.45Å; I631-E633 HydrophobicContact CG2-CG 4.17Å; I631-T636 WeakPolarHBondContact O-CA 3.36Å; I631-K637 HydrophobicContact CB-CB 4.24Å; I631-K637 HydrophobicContact CD1-CB 4.26Å; I631-K637 PolarHBondContact N-O 2.96Å; I631-K637 PolarHBondContact O-N 3.17Å; I631-K637 VanDerWaalsContact O-N 3.13Å
632	L	98	Very high	89.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	91.1	-179	-56.3	177.5	0	0	0	109.5	Y534 H535 F536 N537 F583 I587 M590 W591 W613 L630	Y534-L632 HydrophobicContact CD2-CD1 3.79Å; Y534-L632 HydrophobicContact CG-CD1 3.75Å; H535-L632 PolarHBondContact O-N 2.92Å; F536-L632 HydrophobicContact CD2-CB 3.9Å; F536-L632 HydrophobicContact CD2-CD1 4.22Å; N537-L632 CarbonylContact C-O 3.59Å; N537-L632 PolarHBondContact N-O 3.48Å; F583-L632 HydrophobicContact CZ-CB 4.49Å; I587-L632 HydrophobicContact CD1-CB 4.25Å; I587-L632 HydrophobicContact CD1-CD1 4.04Å; I587-L632 HydrophobicContact CD1-CD2 4.09Å; I587-L632 HydrophobicContact CD1-CG 4.36Å; M590-L632 HydrophobicContact SD-CD2 4.04Å; W591-L632 HydrophobicContact CH2-CD1 3.67Å; W591-L632 HydrophobicContact CZ3-CD1 3.83Å; W613-L632 HydrophobicContact CH2-CD1 4.22Å; W613-L632 HydrophobicContact CH2-CD2 4.47Å; W613-L632 HydrophobicContact CZ3-CD2 4.41Å; L630-L632 HydrophobicContact CD2-CD2 3.74Å; L630-L632 HydrophobicContact CG-CD2 4.09Å
633	E	95.8	Very high	91	Very high	33 Å²	33	53.6 Å²	53.6	15%	0.154	30%	0.295	C	S	.	.	S	Bend	trans	-134.3	-173.6	172.3	62.9	-173.3	-149.7	0	0	109	N537 F583 R586 I631 E635 K637	N537-E633 HydrophobicContact CB-CB 4.31Å; N537-E633 PolarHBondContact ND2-OE2 2.99Å; N537-E633 WeakPolarHBondContact O-CB 3.46Å; F583-E633 WeakPolarHBondContact CE2-O 3.46Å; R586-E633 PolarHBondContact NH2-O 2.87Å; I631-E633 HydrophobicContact CG2-CG 4.17Å; E633-E635 WeakPolarHBondContact CG-O 3.37Å; E633-E635 CarbonylContact O-C 3.49Å; E633-E635 PolarHBondContact O-N 3.29Å; E633-E635 VanDerWaalsContact O-N 3.09Å; E633-K637 VanDerWaalsContact OE1-CD 3.25Å; E633-K637 WeakPolarHBondContact OE1-CD 3.48Å; E633-K637 WeakPolarHBondContact OE1-CE 3.43Å; E633-K637 IonicContact OE1-NZ 3.72Å; E633-K637 PolarHBondContact OE1-NZ 3.36Å
634	D	92.9	Very high	92.2	Very high	90 Å²	90	50.9 Å²	50.9	48%	0.481	27%	0.273	S	S	.	.	S	Bend	trans	-45.6	-47.6	-175.5	-71.2	-40.3	0	0	0	113.1	K538 R586	K538-D634 WeakPolarHBondContact CD-OD1 3.23Å; K538-D634 VanDerWaalsContact CE-OD1 3.28Å; K538-D634 WeakPolarHBondContact CE-OD1 3.31Å; K538-D634 IonicContact NZ-OD1 2.83Å; K538-D634 PolarHBondContact NZ-OD1 3.21Å; K538-D634 IonicContact NZ-OD2 2.63Å; K538-D634 PolarHBondContact NZ-OD2 3.26Å; R586-D634 PolarHBondContact NH1-O 2.56Å; R586-D634 PolarHBondContact NH2-O 3.07Å
635	E	92.4	Very high	93.1	Very high	143 Å²	143	53.9 Å²	53.9	67%	0.668	29%	0.285	S	S	*	.	S	Bend	trans	-106.4	120	166.1	-66.6	-175.6	172.5	0	0	110	E633 K637	E633-E635 WeakPolarHBondContact CG-O 3.37Å; E633-E635 CarbonylContact O-C 3.49Å; E633-E635 PolarHBondContact O-N 3.29Å; E633-E635 VanDerWaalsContact O-N 3.09Å; E635-K637 PolarHBondContact O-N 3.47Å
636	T	93.1	Very high	93.9	Very high	21 Å²	21	50 Å²	50	13%	0.129	26%	0.26	C	S	.	.			trans	-64.6	127.2	178.1	-61.5	0	0	0	0	111.1	R586 M590 P611 L630 I631	R586-T636 VanDerWaalsContact CZ-OG1 3.25Å; R586-T636 PolarHBondContact NE-OG1 2.59Å; R586-T636 PolarHBondContact NH2-OG1 2.85Å; M590-T636 HydrophobicContact CE-CG2 4.37Å; P611-T636 HydrophobicContact CG-CG2 3.93Å; L630-T636 HydrophobicContact CD1-CG2 3.41Å; L630-T636 VanDerWaalsContact CD1-CG2 3.41Å; L630-T636 HydrophobicContact CD2-CG2 3.47Å; L630-T636 VanDerWaalsContact CD2-CG2 3.47Å; L630-T636 HydrophobicContact CG-CG2 3.37Å; I631-T636 WeakPolarHBondContact O-CA 3.36Å
637	K	95.3	Very high	94.2	Very high	100 Å²	100	44.9 Å²	44.9	44%	0.435	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152	-178.6	-66.8	170.9	-171.7	165.9	0	111.8	L630 I631 E633 E635	L630-K637 WeakPolarHBondContact CD1-O 3.44Å; I631-K637 HydrophobicContact CB-CB 4.24Å; I631-K637 HydrophobicContact CD1-CB 4.26Å; I631-K637 PolarHBondContact N-O 2.96Å; I631-K637 PolarHBondContact O-N 3.17Å; I631-K637 VanDerWaalsContact O-N 3.13Å; E633-K637 VanDerWaalsContact OE1-CD 3.25Å; E633-K637 WeakPolarHBondContact OE1-CD 3.48Å; E633-K637 WeakPolarHBondContact OE1-CE 3.43Å; E633-K637 IonicContact OE1-NZ 3.72Å; E633-K637 PolarHBondContact OE1-NZ 3.36Å; E635-K637 PolarHBondContact O-N 3.47Å
638	L	96.3	Very high	94.2	Very high	84 Å²	84	43.8 Å²	43.8	44%	0.44	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	138	170.3	-69.7	176.7	0	0	0	109.8	P611 P614 P627 L630	P611-L638 HydrophobicContact CB-CD1 4.39Å; P611-L638 HydrophobicContact CB-CD2 4.16Å; P611-L638 HydrophobicContact CB-CG 4.08Å; P614-L638 HydrophobicContact CG-CD2 4.1Å; P627-L638 HydrophobicContact CB-CB 3.85Å; P627-L638 HydrophobicContact CB-CD1 4.33Å; P627-L638 HydrophobicContact CB-CD2 4.18Å; P627-L638 HydrophobicContact CB-CG 4.35Å; P627-L638 HydrophobicContact CG-CB 3.94Å; P627-L638 HydrophobicContact CG-CD1 4.08Å; P627-L638 HydrophobicContact CG-CG 4.49Å; L630-L638 HydrophobicContact CD1-CD2 4Å
639	G	94.4	Very high	94.2	Very high	8 Å²	8	43.3 Å²	43.3	8%	0.082	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.8	175	0	0	0	0	0	111.9	P627 D628 Y629	P627-G639 CarbonylContact C-O 3.34Å; P627-G639 WeakPolarHBondContact CA-O 3.27Å; D628-G639 PolarHBondContact N-O 2.86Å; Y629-G639 VanDerWaalsContact CD1-C 3.45Å; Y629-G639 WeakPolarHBondContact CD1-O 3.48Å; Y629-G639 PolarHBondContact N-O 3.14Å; Y629-G639 PolarHBondContact O-N 3.13Å
640	S	93.3	Very high	94	Very high	58 Å²	58	43.3 Å²	43.3	41%	0.406	23%	0.226	S	C	.	.	S	Bend	trans	-127.5	137.6	174.4	55.2	0	0	0	0	111.6	N626 D628 Y629	N626-S640 WeakPolarHBondContact O-CB 3.47Å; D628-S640 VanDerWaalsContact OD1-CA 3.24Å; D628-S640 WeakPolarHBondContact OD1-CA 3.48Å; Y629-S640 VanDerWaalsContact CE1-C 3.47Å
641	G	91	Very high	93.7	Very high	19 Å²	19	45.8 Å²	45.8	20%	0.196	24%	0.239	C	C	.	.	S	Bend	trans	65.1	47.8	171.5	0	0	0	0	0	115.7	D628 H643 R644	D628-G641 PolarHBondContact OD1-N 3.32Å; D628-G641 PolarHBondContact OD2-N 3.46Å; G641-H643 PolarHBondContact O-N 3.13Å; G641-R644 PolarHBondContact O-N 3.03Å; G641-R644 VanDerWaalsContact O-N 3.14Å
642	L	94.4	Very high	93.3	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.073	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	114.2	178.9	-174.8	59.6	0	0	0	111.3	V397 L517 L533 H535 Y629 R644	V397-L642 HydrophobicContact CG2-CD2 3.81Å; L517-L642 HydrophobicContact CD1-CG 4.46Å; L517-L642 WeakPolarHBondContact CD1-O 3.28Å; L517-L642 HydrophobicContact CD2-CD2 4.18Å; L533-L642 HydrophobicContact CD1-CD2 4.38Å; L533-L642 HydrophobicContact CD2-CB 4.24Å; L533-L642 HydrophobicContact CD2-CD2 4.22Å; L533-L642 HydrophobicContact CG-CD2 4.27Å; H535-L642 HydrophobicContact CB-CD1 3.83Å; H535-L642 HydrophobicContact CB-CD2 3.83Å; Y629-L642 HydrophobicContact CD1-CB 3.74Å; Y629-L642 HydrophobicContact CD2-CB 4.43Å; Y629-L642 HydrophobicContact CD2-CD2 4.33Å; Y629-L642 HydrophobicContact CE1-CB 3.57Å; Y629-L642 HydrophobicContact CE2-CB 4.27Å; Y629-L642 HydrophobicContact CE2-CD1 4.01Å; Y629-L642 HydrophobicContact CE2-CD2 4.45Å; Y629-L642 HydrophobicContact CE2-CG 4.49Å; Y629-L642 HydrophobicContact CG-CB 4.18Å; L642-R644 PolarHBondContact O-N 3.41Å
643	H	93.5	Very high	93	Very high	29 Å²	29	50.8 Å²	50.8	13%	0.134	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	18.2	178.7	-56.3	-176.2	0	0	0	114.9	D509 L517 G641 D645 R646 C647	D509-H643 IonicContact OD1-CE1 3.04Å; D509-H643 IonicContact OD1-CG 3.96Å; D509-H643 IonicContact OD1-ND1 2.93Å; D509-H643 PolarHBondContact OD1-ND1 3.32Å; D509-H643 VanDerWaalsContact OD1-ND1 3.08Å; L517-H643 HydrophobicContact CD1-CB 3.87Å; G641-H643 PolarHBondContact O-N 3.13Å; H643-D645 PolarHBondContact O-N 3.2Å; H643-R646 PolarHBondContact CD2-NH2 3.41Å; H643-R646 PolarHBondContact CE1-NH2 3.12Å; H643-R646 VanDerWaalsContact CG-NH2 3.3Å; H643-R646 PolarHBondContact ND1-NH2 3.12Å; H643-R646 VanDerWaalsContact ND1-NH2 3.18Å; H643-R646 PolarHBondContact NE2-NH2 3.08Å; H643-R646 PolarHBondContact O-N 3.17Å; H643-C647 PolarHBondContact O-N 3.01Å; H643-C647 PolarHBondContact O-SG 3.05Å
644	R	90.8	Very high	92.7	Very high	53 Å²	53	49.2 Å²	49.2	20%	0.2	26%	0.255	C	S	.	.	H	α-helix	trans	-50.1	-52.9	-170.9	-171.8	179.7	-69	158.6	-0.9	113	S624 D628 G641 L642 R646 C647 A648	S624-R644 PolarHBondContact O-NH1 2.8Å; S624-R644 VanDerWaalsContact O-NH1 3.13Å; D628-R644 IonicContact OD2-NH2 2.71Å; D628-R644 PolarHBondContact OD2-NH2 2.74Å; G641-R644 PolarHBondContact O-N 3.03Å; G641-R644 VanDerWaalsContact O-N 3.14Å; L642-R644 PolarHBondContact O-N 3.41Å; R644-R646 PolarHBondContact O-N 3.46Å; R644-C647 PolarHBondContact O-N 3.39Å; R644-A648 WeakPolarHBondContact O-CB 3.34Å; R644-A648 PolarHBondContact O-N 3.08Å
645	D	90.6	Very high	92.4	Very high	109 Å²	109	48.5 Å²	48.5	58%	0.583	25%	0.248	S	C	*	.	H	α-helix	trans	-66.4	-37.3	-178.9	-60.9	-20	0	0	0	112.4	Y473 H643 F649	Y473-D645 PolarHBondContact OH-O 3.22Å; H643-D645 PolarHBondContact O-N 3.2Å; D645-F649 PolarHBondContact O-N 2.97Å; D645-F649 VanDerWaalsContact O-N 3.08Å
646	R	93.6	Very high	92.2	Very high	54 Å²	54	45.5 Å²	45.5	20%	0.204	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-33.9	-178.9	-51.9	-161.9	-52	-125.9	9.1	111.6	Y473 D509 H643 R644 F649 W650	Y473-R646 HydrophobicContact CE1-CB 4.21Å; Y473-R646 HydrophobicContact CE1-CG 4Å; Y473-R646 VanDerWaalsContact OH-CA 3.27Å; Y473-R646 WeakPolarHBondContact OH-CA 3.45Å; Y473-R646 PolarHBondContact OH-N 2.91Å; D509-R646 IonicContact OD1-CZ 3.6Å; D509-R646 IonicContact OD1-NE 2.97Å; D509-R646 PolarHBondContact OD1-NE 3.02Å; D509-R646 IonicContact OD1-NH2 3.55Å; D509-R646 PolarHBondContact OD1-NH2 3.25Å; D509-R646 WeakPolarHBondContact OD2-CB 3.48Å; D509-R646 VanDerWaalsContact OD2-CD 3.31Å; D509-R646 WeakPolarHBondContact OD2-CD 3.39Å; D509-R646 IonicContact OD2-CZ 2.98Å; D509-R646 IonicContact OD2-NE 3.22Å; D509-R646 PolarHBondContact OD2-NE 3.13Å; D509-R646 IonicContact OD2-NH2 3.55Å; D509-R646 PolarHBondContact OD2-NH2 2.86Å; H643-R646 PolarHBondContact CD2-NH2 3.41Å; H643-R646 PolarHBondContact CE1-NH2 3.12Å; H643-R646 VanDerWaalsContact CG-NH2 3.3Å; H643-R646 PolarHBondContact ND1-NH2 3.12Å; H643-R646 VanDerWaalsContact ND1-NH2 3.18Å; H643-R646 PolarHBondContact NE2-NH2 3.08Å; H643-R646 PolarHBondContact O-N 3.17Å; R644-R646 PolarHBondContact O-N 3.46Å; R646-F649 WeakPolarHBondContact O-CB 3.48Å; R646-W650 PolarHBondContact O-N 3.35Å
647	C	94.9	Very high	91.9	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-78.8	-33.1	174.7	-60.4	0	0	0	0	112.7	C514 H643 R644 F649 W650 L651	C514-C647 WeakPolarHBondContact CA-SG 3.06Å; C514-C647 HydrophobicContact CB-CB 3.66Å; C514-C647 WeakPolarHBondContact CB-SG 2.9Å; C514-C647 WeakPolarHBondContact SG-CA 3.3Å; C514-C647 WeakPolarHBondContact SG-CB 3.36Å; C514-C647 CovalentContact SG-SG 2.06Å; C514-C647 PolarHBondContact SG-SG 3.35Å; H643-C647 PolarHBondContact O-N 3.01Å; H643-C647 PolarHBondContact O-SG 3.05Å; R644-C647 PolarHBondContact O-N 3.39Å; C647-F649 VanDerWaalsContact C-N 3.27Å; C647-F649 PolarHBondContact O-N 3.15Å; C647-W650 PolarHBondContact O-N 3.46Å; C647-L651 HydrophobicContact CB-CD1 4.21Å; C647-L651 VanDerWaalsContact O-CB 3.26Å; C647-L651 WeakPolarHBondContact O-CB 3.34Å; C647-L651 VanDerWaalsContact O-CG 3.26Å; C647-L651 WeakPolarHBondContact O-CG 3.28Å; C647-L651 PolarHBondContact O-N 2.83Å
648	A	92.7	Very high	91.4	Very high	32 Å²	32	41.9 Å²	41.9	26%	0.264	22%	0.22	S	C	.	.	H	α-helix	trans	-59.9	-39.8	169.2	0	0	0	0	0	111.7	R644 W650 H652 E653	R644-A648 WeakPolarHBondContact O-CB 3.34Å; R644-A648 PolarHBondContact O-N 3.08Å; A648-W650 PolarHBondContact O-N 3.34Å; A648-H652 WeakPolarHBondContact O-CB 3.47Å; A648-H652 PolarHBondContact O-N 2.94Å; A648-E653 PolarHBondContact O-N 2.91Å; A648-E653 VanDerWaalsContact O-N 3.15Å
649	F	93.9	Very high	90.7	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.013	22%	0.217	C	C	.	.	I	π-helix	trans	-55.6	-49.8	173.1	169.7	-102.1	0	0	0	112	P470 Y473 Y474 D645 R646 C647 E653 M654	P470-F649 HydrophobicContact CB-CE1 4.31Å; P470-F649 HydrophobicContact CB-CZ 4.3Å; P470-F649 HydrophobicContact CG-CE1 4.26Å; P470-F649 HydrophobicContact CG-CZ 4.03Å; Y473-F649 HydrophobicContact CD1-CD1 4.03Å; Y473-F649 HydrophobicContact CD1-CE1 4.33Å; Y473-F649 HydrophobicContact CD1-CG 4.17Å; Y473-F649 HydrophobicContact CD2-CB 4.29Å; Y473-F649 HydrophobicContact CD2-CD1 4.43Å; Y473-F649 AromaticContact CD2-CD2 3.59Å; Y473-F649 HydrophobicContact CD2-CD2 3.59Å; Y473-F649 AromaticContact CD2-CE2 3.98Å; Y473-F649 HydrophobicContact CD2-CE2 3.98Å; Y473-F649 AromaticContact CD2-CG 3.84Å; Y473-F649 HydrophobicContact CD2-CG 3.84Å; Y473-F649 HydrophobicContact CE1-CB 4.22Å; Y473-F649 HydrophobicContact CE1-CD1 4.28Å; Y473-F649 HydrophobicContact CE1-CG 4.21Å; Y473-F649 HydrophobicContact CE2-CB 3.8Å; Y473-F649 AromaticContact CE2-CD2 3.92Å; Y473-F649 HydrophobicContact CE2-CD2 3.92Å; Y473-F649 AromaticContact CE2-CG 3.88Å; Y473-F649 HydrophobicContact CE2-CG 3.88Å; Y473-F649 HydrophobicContact CG-CD1 4.12Å; Y473-F649 AromaticContact CG-CD2 3.97Å; Y473-F649 HydrophobicContact CG-CD2 3.97Å; Y473-F649 HydrophobicContact CG-CE1 4.22Å; Y473-F649 HydrophobicContact CG-CE2 4.07Å; Y473-F649 AromaticContact CG-CG 4Å; Y473-F649 HydrophobicContact CG-CG 4Å; Y473-F649 HydrophobicContact CG-CZ 4.19Å; Y474-F649 HydrophobicContact CE2-CE1 4.4Å; D645-F649 PolarHBondContact O-N 2.97Å; D645-F649 VanDerWaalsContact O-N 3.08Å; R646-F649 WeakPolarHBondContact O-CB 3.48Å; C647-F649 VanDerWaalsContact C-N 3.27Å; C647-F649 PolarHBondContact O-N 3.15Å; F649-E653 HydrophobicContact CD2-CB 4.46Å; F649-E653 PolarHBondContact O-N 2.91Å; F649-M654 HydrophobicContact CD1-CG 4.17Å; F649-M654 HydrophobicContact CD2-CG 4.23Å; F649-M654 HydrophobicContact CE1-CG 3.71Å; F649-M654 HydrophobicContact CE1-SD 4.17Å; F649-M654 HydrophobicContact CE2-CG 3.78Å; F649-M654 HydrophobicContact CE2-SD 3.77Å; F649-M654 HydrophobicContact CG-CG 4.42Å; F649-M654 HydrophobicContact CZ-CG 3.49Å; F649-M654 VanDerWaalsContact CZ-CG 3.49Å; F649-M654 HydrophobicContact CZ-SD 3.43Å; F649-M654 WeakPolarHBondContact CZ-SD 3.39Å; F649-M654 WeakPolarHBondContact O-CB 3.11Å; F649-M654 WeakPolarHBondContact O-CG 3.3Å; F649-M654 PolarHBondContact O-N 2.79Å
650	W	93.1	Very high	90.1	Very high	23 Å²	23	43 Å²	43	9%	0.087	22%	0.224	C	C	.	.	I	π-helix	trans	-74	-44.9	-178.7	-71.4	118.4	0	0	0	114.3	L457 P470 Y474 F506 L510 R646 C647 A648 M654	L457-W650 HydrophobicContact CD2-CH2 3.86Å; L457-W650 HydrophobicContact CD2-CZ3 4.13Å; P470-W650 HydrophobicContact CB-CH2 3.52Å; P470-W650 HydrophobicContact CB-CZ2 4.06Å; P470-W650 HydrophobicContact CB-CZ3 4.36Å; P470-W650 HydrophobicContact CG-CH2 3.52Å; P470-W650 HydrophobicContact CG-CZ2 4.45Å; P470-W650 HydrophobicContact CG-CZ3 3.88Å; Y474-W650 AromaticContact CE2-CE2 3.97Å; Y474-W650 AromaticContact CE2-CZ2 3.76Å; Y474-W650 HydrophobicContact CE2-CZ2 3.76Å; Y474-W650 AromaticContact CE2-NE1 3.7Å; Y474-W650 AromaticContact CZ-NE1 3.71Å; Y474-W650 PolarHBondContact OH-NE1 2.72Å; F506-W650 AromaticContact CD2-CH2 3.98Å; F506-W650 HydrophobicContact CD2-CH2 3.98Å; F506-W650 AromaticContact CD2-CZ2 3.54Å; F506-W650 HydrophobicContact CD2-CZ2 3.54Å; F506-W650 AromaticContact CE2-CH2 3.41Å; F506-W650 HydrophobicContact CE2-CH2 3.41Å; F506-W650 VanDerWaalsContact CE2-CH2 3.41Å; F506-W650 AromaticContact CE2-CZ2 3.49Å; F506-W650 HydrophobicContact CE2-CZ2 3.49Å; F506-W650 VanDerWaalsContact CE2-CZ2 3.49Å; F506-W650 HydrophobicContact CG-CZ2 4.45Å; F506-W650 HydrophobicContact CZ-CH2 4.05Å; F506-W650 HydrophobicContact CZ-CZ2 4.36Å; L510-W650 HydrophobicContact CB-CZ2 4.2Å; L510-W650 HydrophobicContact CD1-CD2 3.94Å; L510-W650 HydrophobicContact CD1-CE3 3.72Å; L510-W650 HydrophobicContact CD1-CH2 4.22Å; L510-W650 HydrophobicContact CD1-CZ2 4.44Å; L510-W650 HydrophobicContact CD1-CZ3 3.87Å; L510-W650 HydrophobicContact CD2-CH2 4.3Å; R646-W650 PolarHBondContact O-N 3.35Å; C647-W650 PolarHBondContact O-N 3.46Å; A648-W650 PolarHBondContact O-N 3.34Å; W650-M654 HydrophobicContact CE3-CB 4.43Å; W650-M654 HydrophobicContact CE3-CG 3.93Å; W650-M654 HydrophobicContact CZ3-CE 4.32Å; W650-M654 HydrophobicContact CZ3-CG 4.18Å
651	L	90.1	Very high	89.2	Confident	51 Å²	51	45.3 Å²	45.3	27%	0.267	22%	0.224	S	C	.	.	I	π-helix	trans	-82.4	-22.3	-170.9	-62	172.7	0	0	0	113.3	N518 C647	N518-L651 HydrophobicContact CB-CD1 3.83Å; N518-L651 HydrophobicContact CB-CD2 4.15Å; C647-L651 HydrophobicContact CB-CD1 4.21Å; C647-L651 VanDerWaalsContact O-CB 3.26Å; C647-L651 WeakPolarHBondContact O-CB 3.34Å; C647-L651 VanDerWaalsContact O-CG 3.26Å; C647-L651 WeakPolarHBondContact O-CG 3.28Å; C647-L651 PolarHBondContact O-N 2.83Å
652	H	89.2	Confident	88.3	Confident	105 Å²	105	48.1 Å²	48.1	49%	0.486	23%	0.231	S	C	.	.	I	π-helix	trans	-125.1	-62.8	-176.4	-53.1	-48.7	0	0	0	111.6	A648 M654 Q655 D656	A648-H652 WeakPolarHBondContact O-CB 3.47Å; A648-H652 PolarHBondContact O-N 2.94Å; H652-M654 PolarHBondContact O-N 3.05Å; H652-Q655 PolarHBondContact O-N 2.9Å; H652-Q655 VanDerWaalsContact O-N 3.14Å; H652-D656 WeakPolarHBondContact O-CB 3.22Å; H652-D656 PolarHBondContact O-N 3.36Å
653	E	91	Very high	86.8	Confident	29 Å²	29	53.1 Å²	53.1	14%	0.136	26%	0.257	C	S	.	.	I	π-helix	trans	-64.8	-44.4	-169.1	-56.5	-178.2	168.9	0	0	112.6	A648 F649 Q655 M657 L681 G682	A648-E653 PolarHBondContact O-N 2.91Å; A648-E653 VanDerWaalsContact O-N 3.15Å; F649-E653 HydrophobicContact CD2-CB 4.46Å; F649-E653 PolarHBondContact O-N 2.91Å; E653-Q655 VanDerWaalsContact C-N 3.32Å; E653-Q655 PolarHBondContact O-N 3.05Å; E653-M657 WeakPolarHBondContact O-CB 3.5Å; E653-M657 WeakPolarHBondContact O-CG 3.48Å; E653-M657 PolarHBondContact O-N 3.29Å; E653-L681 HydrophobicContact CB-CD2 4.28Å; E653-L681 HydrophobicContact CG-CD2 4.2Å; E653-L681 WeakPolarHBondContact OE2-CD2 3.15Å; E653-G682 PolarHBondContact OE1-N 3.5Å
654	M	90.6	Very high	84.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-36.5	176.2	-77.1	-64.1	-62.2	0	0	112	H461 L466 M469 P470 F649 W650 H652 M657 K658	H461-M654 VanDerWaalsContact CD2-CE 3.46Å; H461-M654 WeakPolarHBondContact CD2-CE 3.24Å; L466-M654 HydrophobicContact CD1-CE 3.52Å; L466-M654 HydrophobicContact CD1-SD 4.05Å; L466-M654 HydrophobicContact CG-CE 3.97Å; M469-M654 HydrophobicContact CB-SD 4.13Å; P470-M654 HydrophobicContact CG-CE 3.85Å; P470-M654 HydrophobicContact CG-SD 4.13Å; F649-M654 HydrophobicContact CD1-CG 4.17Å; F649-M654 HydrophobicContact CD2-CG 4.23Å; F649-M654 HydrophobicContact CE1-CG 3.71Å; F649-M654 HydrophobicContact CE1-SD 4.17Å; F649-M654 HydrophobicContact CE2-CG 3.78Å; F649-M654 HydrophobicContact CE2-SD 3.77Å; F649-M654 HydrophobicContact CG-CG 4.42Å; F649-M654 HydrophobicContact CZ-CG 3.49Å; F649-M654 VanDerWaalsContact CZ-CG 3.49Å; F649-M654 HydrophobicContact CZ-SD 3.43Å; F649-M654 WeakPolarHBondContact CZ-SD 3.39Å; F649-M654 WeakPolarHBondContact O-CB 3.11Å; F649-M654 WeakPolarHBondContact O-CG 3.3Å; F649-M654 PolarHBondContact O-N 2.79Å; W650-M654 HydrophobicContact CE3-CB 4.43Å; W650-M654 HydrophobicContact CE3-CG 3.93Å; W650-M654 HydrophobicContact CZ3-CE 4.32Å; W650-M654 HydrophobicContact CZ3-CG 4.18Å; H652-M654 PolarHBondContact O-N 3.05Å; M654-M657 HydrophobicContact CG-CE 4.49Å; M654-M657 HydrophobicContact SD-CE 3.47Å; M654-M657 WeakPolarHBondContact SD-CE 3.23Å; M654-K658 VanDerWaalsContact O-CG 3.28Å; M654-K658 WeakPolarHBondContact O-CG 3.2Å; M654-K658 PolarHBondContact O-N 3.41Å
655	Q	86.6	Confident	82.8	Confident	74 Å²	74	58.8 Å²	58.8	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-71.4	-45.3	178.5	-173	56.5	32.8	0	0	111.6	H652 E653 M657 K658 D659	H652-Q655 PolarHBondContact O-N 2.9Å; H652-Q655 VanDerWaalsContact O-N 3.14Å; E653-Q655 VanDerWaalsContact C-N 3.32Å; E653-Q655 PolarHBondContact O-N 3.05Å; Q655-M657 VanDerWaalsContact C-N 3.27Å; Q655-M657 PolarHBondContact O-N 2.88Å; Q655-K658 WeakPolarHBondContact O-CB 3.42Å; Q655-K658 PolarHBondContact O-N 3.37Å; Q655-K658 VanDerWaalsContact O-N 3.08Å; Q655-D659 PolarHBondContact NE2-OD1 3.35Å; Q655-D659 VanDerWaalsContact NE2-OD1 3.14Å; Q655-D659 PolarHBondContact O-N 3.33Å
656	D	87.5	Confident	80.4	Confident	81 Å²	81	57.1 Å²	57.1	43%	0.433	28%	0.279	S	S	.	.	H	α-helix	trans	-57.6	-42.6	173.7	-73.3	-15.1	0	0	0	111.1	H652 D659 I660	H652-D656 WeakPolarHBondContact O-CB 3.22Å; H652-D656 PolarHBondContact O-N 3.36Å; D656-D659 PolarHBondContact O-N 3.21Å; D656-I660 WeakPolarHBondContact O-CB 3.4Å; D656-I660 WeakPolarHBondContact O-CD1 3.16Å; D656-I660 VanDerWaalsContact O-CG1 3.22Å; D656-I660 WeakPolarHBondContact O-CG1 3.43Å; D656-I660 PolarHBondContact O-N 3.44Å
657	M	86.6	Confident	77.9	Confident	19 Å²	19	60.7 Å²	60.7	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-43.7	174.9	-77.1	-161.2	-66.3	0	0	112	L466 M469 E653 M654 Q655 D659 I660 W661	L466-M657 HydrophobicContact CD1-CB 3.86Å; L466-M657 HydrophobicContact CD1-CE 4.02Å; M469-M657 HydrophobicContact CB-CE 4.07Å; M469-M657 HydrophobicContact CE-CE 3.69Å; M469-M657 HydrophobicContact CE-SD 3.64Å; M469-M657 HydrophobicContact CG-CE 3.88Å; M469-M657 HydrophobicContact CG-SD 4.23Å; E653-M657 WeakPolarHBondContact O-CB 3.5Å; E653-M657 WeakPolarHBondContact O-CG 3.48Å; E653-M657 PolarHBondContact O-N 3.29Å; M654-M657 HydrophobicContact CG-CE 4.49Å; M654-M657 HydrophobicContact SD-CE 3.47Å; M654-M657 WeakPolarHBondContact SD-CE 3.23Å; Q655-M657 VanDerWaalsContact C-N 3.27Å; Q655-M657 PolarHBondContact O-N 2.88Å; M657-D659 VanDerWaalsContact C-N 3.33Å; M657-D659 PolarHBondContact O-N 3.16Å; M657-I660 PolarHBondContact O-N 2.96Å; M657-W661 WeakPolarHBondContact O-CB 3.45Å; M657-W661 PolarHBondContact O-N 3.37Å
658	K	84.5	Confident	75.6	Confident	26 Å²	26	65 Å²	65	11%	0.113	34%	0.34	C	S	.	.	H	α-helix	trans	-55.5	-52	174.1	-75.4	163.6	72.8	179.8	0	110.1	S460 L466 M654 Q655 I660 W661 F662	S460-K658 WeakPolarHBondContact OG-CE 3.2Å; S460-K658 PolarHBondContact OG-NZ 2.88Å; L466-K658 HydrophobicContact CD1-CG 4.48Å; L466-K658 HydrophobicContact CD2-CG 3.54Å; M654-K658 VanDerWaalsContact O-CG 3.28Å; M654-K658 WeakPolarHBondContact O-CG 3.2Å; M654-K658 PolarHBondContact O-N 3.41Å; Q655-K658 WeakPolarHBondContact O-CB 3.42Å; Q655-K658 PolarHBondContact O-N 3.37Å; Q655-K658 VanDerWaalsContact O-N 3.08Å; K658-I660 VanDerWaalsContact C-N 3.31Å; K658-I660 PolarHBondContact O-N 2.93Å; K658-W661 PolarHBondContact O-N 3.43Å; K658-F662 HydrophobicContact CB-CD2 3.99Å; K658-F662 HydrophobicContact CB-CE2 4.03Å; K658-F662 HydrophobicContact CG-CE2 4.22Å; K658-F662 WeakPolarHBondContact O-CB 3.17Å; K658-F662 WeakPolarHBondContact O-CD2 2.85Å; K658-F662 PolarHBondContact O-N 3.03Å
659	D	83.1	Confident	73.3	Confident	71 Å²	71	66 Å²	66	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-60.2	-41.7	-177.6	-67.9	-14	0	0	0	111.7	Q655 D656 M657 N663	Q655-D659 PolarHBondContact NE2-OD1 3.35Å; Q655-D659 VanDerWaalsContact NE2-OD1 3.14Å; Q655-D659 PolarHBondContact O-N 3.33Å; D656-D659 PolarHBondContact O-N 3.21Å; M657-D659 VanDerWaalsContact C-N 3.33Å; M657-D659 PolarHBondContact O-N 3.16Å; D659-N663 WeakPolarHBondContact O-CB 3.29Å; D659-N663 PolarHBondContact O-N 3.47Å; D659-N663 PolarHBondContact O-ND2 2.94Å
660	I	81.6	Confident	70.5	Confident	45 Å²	45	69.6 Å²	69.6	23%	0.231	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-45.4	174.1	-68.7	165	0	0	0	111.2	D656 M657 K658 R664 L679	D656-I660 WeakPolarHBondContact O-CB 3.4Å; D656-I660 WeakPolarHBondContact O-CD1 3.16Å; D656-I660 VanDerWaalsContact O-CG1 3.22Å; D656-I660 WeakPolarHBondContact O-CG1 3.43Å; D656-I660 PolarHBondContact O-N 3.44Å; M657-I660 PolarHBondContact O-N 2.96Å; K658-I660 VanDerWaalsContact C-N 3.31Å; K658-I660 PolarHBondContact O-N 2.93Å; I660-R664 VanDerWaalsContact O-CB 3.29Å; I660-R664 WeakPolarHBondContact O-CB 3.38Å; I660-R664 WeakPolarHBondContact O-CG 3.1Å; I660-R664 PolarHBondContact O-N 3.05Å; I660-R664 VanDerWaalsContact O-N 3.14Å; I660-L679 HydrophobicContact CD1-CD1 3.7Å
661	W	73.8	Confident	67.8	Low	106 Å²	106	75 Å²	75	40%	0.402	41%	0.412	S	S	.	.	H	α-helix	trans	-70.2	-38.8	-177.8	-87.8	89.4	0	0	0	112.8	M657 K658 C665	M657-W661 WeakPolarHBondContact O-CB 3.45Å; M657-W661 PolarHBondContact O-N 3.37Å; K658-W661 PolarHBondContact O-N 3.43Å; W661-C665 PolarHBondContact O-SG 3.14Å
662	F	71.5	Confident	65.1	Low	78 Å²	78	81.1 Å²	81.1	34%	0.342	44%	0.436	S	S	.	.	H	α-helix	trans	-76	-42.6	179	-73.7	-72.6	0	0	0	111.7	R463 K658 R664 C665	R463-F662 VanDerWaalsContact NE-CE1 3.3Å; K658-F662 HydrophobicContact CB-CD2 3.99Å; K658-F662 HydrophobicContact CB-CE2 4.03Å; K658-F662 HydrophobicContact CG-CE2 4.22Å; K658-F662 WeakPolarHBondContact O-CB 3.17Å; K658-F662 WeakPolarHBondContact O-CD2 2.85Å; K658-F662 PolarHBondContact O-N 3.03Å; F662-R664 PolarHBondContact O-N 2.66Å; F662-C665 PolarHBondContact O-N 3.46Å
663	N	64.3	Low	62.6	Low	118 Å²	118	80.4 Å²	80.4	63%	0.631	44%	0.441	S	S	*	.	H	α-helix	trans	-69.6	-29.7	178.8	-69.9	-34	0	0	0	113.1	D659 C665	D659-N663 WeakPolarHBondContact O-CB 3.29Å; D659-N663 PolarHBondContact O-N 3.47Å; D659-N663 PolarHBondContact O-ND2 2.94Å; N663-C665 PolarHBondContact O-N 3.3Å
664	R	51.9	Low	59.8	Low	127 Å²	127	85.6 Å²	85.6	48%	0.479	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-13.1	174.9	-76.1	-178.8	-173.2	-158.4	6.1	114	I660 F662	I660-R664 VanDerWaalsContact O-CB 3.29Å; I660-R664 WeakPolarHBondContact O-CB 3.38Å; I660-R664 WeakPolarHBondContact O-CG 3.1Å; I660-R664 PolarHBondContact O-N 3.05Å; I660-R664 VanDerWaalsContact O-N 3.14Å; F662-R664 PolarHBondContact O-N 2.66Å
665	C	47.9	Very low	57	Low	75 Å²	75	87.4 Å²	87.4	51%	0.507	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	7	-176.4	-65.3	0	0	0	0	114.2	W661 F662 N663 P667	W661-C665 PolarHBondContact O-SG 3.14Å; F662-C665 PolarHBondContact O-N 3.46Å; N663-C665 PolarHBondContact O-N 3.3Å; C665-P667 WeakPolarHBondContact O-CD 3.48Å
666	D	40.6	Very low	54.4	Low	73 Å²	73	92 Å²	92	39%	0.39	52%	0.521	S	S	.	.			trans	-97.5	98.4	173.1	-174.2	6	0	0	0	111.5	S668 S669	D666-S668 PolarHBondContact O-N 3.13Å; D666-S668 VanDerWaalsContact O-N 3.16Å; D666-S668 VanDerWaalsContact OD1-CB 3.3Å; D666-S668 WeakPolarHBondContact OD1-CB 3.3Å; D666-S668 PolarHBondContact OD1-N 3.03Å; D666-S668 PolarHBondContact OD1-OG 3.05Å; D666-S668 PolarHBondContact OD2-OG 3.38Å; D666-S668 VanDerWaalsContact OD2-OG 3.09Å; D666-S669 PolarHBondContact O-N 2.88Å; D666-S669 PolarHBondContact O-OG 3.01Å
667	P	41.4	Very low	52	Low	130 Å²	130	96.3 Å²	96.3	84%	0.844	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.1	176.1	26.5	-32.4	0	0	0	113.6	C665	C665-P667 WeakPolarHBondContact O-CD 3.48Å
668	S	45.4	Very low	49.5	Very low	100 Å²	100	101.5 Å²	101.5	70%	0.699	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-11.9	179.3	75.4	0	0	0	0	114.4	D666 G670	D666-S668 PolarHBondContact O-N 3.13Å; D666-S668 VanDerWaalsContact O-N 3.16Å; D666-S668 VanDerWaalsContact OD1-CB 3.3Å; D666-S668 WeakPolarHBondContact OD1-CB 3.3Å; D666-S668 PolarHBondContact OD1-N 3.03Å; D666-S668 PolarHBondContact OD1-OG 3.05Å; D666-S668 PolarHBondContact OD2-OG 3.38Å; D666-S668 VanDerWaalsContact OD2-OG 3.09Å; S668-G670 PolarHBondContact O-N 3.42Å
669	S	44.5	Very low	47.3	Very low	53 Å²	53	102 Å²	102	37%	0.371	56%	0.563	S	S	.	*	S	Bend	trans	-77.9	-12.2	-175.6	65.5	0	0	0	0	115	D666 I671	D666-S669 PolarHBondContact O-N 2.88Å; D666-S669 PolarHBondContact O-OG 3.01Å; S669-I671 WeakPolarHBondContact O-CG1 3.3Å; S669-I671 PolarHBondContact O-N 3.17Å
670	G	34.9	Very low	45	Very low	77 Å²	77	105.4 Å²	105.4	79%	0.794	58%	0.579	S	S	*	*			trans	62.9	-0.5	175.8	0	0	0	0	0	116.3	S668	S668-G670 PolarHBondContact O-N 3.42Å
671	I	37.4	Very low	42.9	Very low	137 Å²	137	104.1 Å²	104.1	70%	0.703	57%	0.572	S	S	*	*			trans	-93.9	105.2	-177.5	-63.5	163.3	0	0	0	108.8	S669 P673	S669-I671 WeakPolarHBondContact O-CG1 3.3Å; S669-I671 PolarHBondContact O-N 3.17Å; I671-P673 WeakPolarHBondContact O-CD 3.49Å
672	K	32.6	Very low	40.9	Very low	179 Å²	179	101.1 Å²	101.1	78%	0.778	58%	0.575	S	S	*	*			trans	-68.8	124.7	164.7	-77	-175.7	178	179.6	0	108.6	T674	K672-T674 PolarHBondContact O-N 2.98Å
673	P	37.4	Very low	39.5	Very low	90 Å²	90	102.4 Å²	102.4	58%	0.584	59%	0.594	S	S	*	*			trans	-75.1	94.5	175.1	28.6	-29.5	0	0	0	109.3	I671	I671-P673 WeakPolarHBondContact O-CD 3.49Å
674	T	30.6	Very low	38.1	Very low	138 Å²	138	100.5 Å²	100.5	85%	0.847	60%	0.601	S	S	*	*			trans	-92	85.7	165.5	53.1	0	0	0	0	108.4	K672	K672-T674 PolarHBondContact O-N 2.98Å
675	G	33.8	Very low	37.3	Very low	38 Å²	38	97.2 Å²	97.2	39%	0.392	59%	0.593	S	S	.	*			trans	-175.7	118	175.9	0	0	0	0	0	112.7	Y677	G675-Y677 VanDerWaalsContact O-CD2 3.3Å; G675-Y677 WeakPolarHBondContact O-CD2 3.41Å; G675-Y677 PolarHBondContact O-N 3.26Å; G675-Y677 VanDerWaalsContact O-N 3.15Å
676	N	31.2	Very low	36.6	Very low	172 Å²	172	99.9 Å²	99.9	92%	0.92	60%	0.602	S	S	*	*			trans	-67.1	104.3	163.8	-78.6	-20.8	0	0	0	107.8
677	Y	37.2	Very low	36.5	Very low	170 Å²	170	100 Å²	100	67%	0.667	60%	0.602	S	S	*	*			trans	-89.7	114.2	169.8	-70	-84.2	0	0	0	108.7	G675	G675-Y677 VanDerWaalsContact O-CD2 3.3Å; G675-Y677 WeakPolarHBondContact O-CD2 3.41Å; G675-Y677 PolarHBondContact O-N 3.26Å; G675-Y677 VanDerWaalsContact O-N 3.15Å
678	I	33	Very low	36.1	Very low	129 Å²	129	102.3 Å²	102.3	66%	0.662	60%	0.599	S	S	*	*			trans	-88.4	107.6	164.6	-63.7	174	0	0	0	105.7	I680 L686	I678-I680 HydrophobicContact CG2-CG1 4.19Å; I678-L686 HydrophobicContact CG2-CD2 4.45Å
679	L	38.7	Very low	35.8	Very low	37 Å²	37	102.1 Å²	102.1	19%	0.194	59%	0.589	C	S	.	*			trans	-83.8	116.4	166.8	-106.1	124.3	0	0	0	107.9	I660 L681	I660-L679 HydrophobicContact CD1-CD1 3.7Å; L679-L681 HydrophobicContact CD2-CD2 4.45Å; L679-L681 PolarHBondContact O-N 3.25Å
680	I	35	Very low	35.1	Very low	142 Å²	142	102 Å²	102	73%	0.728	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	101	168.4	-57.5	176.3	0	0	0	105.6	I678	I678-I680 HydrophobicContact CG2-CG1 4.19Å
681	L	38.6	Very low	34.9	Very low	17 Å²	17	104.5 Å²	104.5	9%	0.089	59%	0.59	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.3	129.9	169.8	-64.7	166.8	0	0	0	108.1	E653 L679 S683 L685 L687	E653-L681 HydrophobicContact CB-CD2 4.28Å; E653-L681 HydrophobicContact CG-CD2 4.2Å; E653-L681 WeakPolarHBondContact OE2-CD2 3.15Å; L679-L681 HydrophobicContact CD2-CD2 4.45Å; L679-L681 PolarHBondContact O-N 3.25Å; L681-S683 PolarHBondContact O-N 3.34Å; L681-L685 HydrophobicContact CD1-CB 4.49Å; L681-L685 HydrophobicContact CD1-CD2 4.49Å; L681-L687 HydrophobicContact CD1-CB 4.18Å; L681-L687 HydrophobicContact CD1-CD1 3.71Å
682	G	31.3	Very low	34.5	Very low	44 Å²	44	108 Å²	108	45%	0.454	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.6	136.6	173.3	0	0	0	0	0	109.5	E653	E653-G682 PolarHBondContact OE1-N 3.5Å
683	S	41	Very low	34.1	Very low	105 Å²	105	109.7 Å²	109.7	73%	0.734	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.1	22	-173.4	78.5	0	0	0	0	119	L681	L681-S683 PolarHBondContact O-N 3.34Å
684	G	35	Very low	33.7	Very low	77 Å²	77	111.4 Å²	111.4	79%	0.794	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.7	15.7	160.9	0	0	0	0	0	115.8
685	L	35.7	Very low	33.9	Very low	58 Å²	58	110.1 Å²	110.1	30%	0.304	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	99.5	173.1	-143.2	83.6	0	0	0	110.4	Y472 L681 L687	Y472-L685 HydrophobicContact CE1-CD2 3.84Å; L681-L685 HydrophobicContact CD1-CB 4.49Å; L681-L685 HydrophobicContact CD1-CD2 4.49Å; L685-L687 HydrophobicContact CD2-CD1 4.08Å; L685-L687 PolarHBondContact O-N 3.15Å
686	L	34.2	Very low	33.9	Very low	132 Å²	132	113.8 Å²	113.8	69%	0.691	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.3	104.4	165.2	-84.4	160	0	0	0	108.8	I678	I678-L686 HydrophobicContact CG2-CD2 4.45Å
687	L	37.2	Very low	34	Very low	74 Å²	74	110.6 Å²	110.6	39%	0.387	62%	0.623	S	S	.	*			trans	-94.7	103.4	171.2	-114.2	157.1	0	0	0	109.5	M469 L681 L685 I689	M469-L687 HydrophobicContact CE-CD1 3.92Å; M469-L687 HydrophobicContact SD-CD1 4.47Å; L681-L687 HydrophobicContact CD1-CB 4.18Å; L681-L687 HydrophobicContact CD1-CD1 3.71Å; L685-L687 HydrophobicContact CD2-CD1 4.08Å; L685-L687 PolarHBondContact O-N 3.15Å; L687-I689 PolarHBondContact O-N 2.95Å
688	F	33.4	Very low	33.8	Very low	180 Å²	180	107.1 Å²	107.1	79%	0.789	62%	0.621	S	S	*	*			trans	-71.4	108.3	163.9	-96.5	-89.4	0	0	0	108.6	G690	F688-G690 PolarHBondContact O-N 2.94Å
689	I	38.8	Very low	33.9	Very low	96 Å²	96	105.8 Å²	105.8	49%	0.492	62%	0.618	S	S	.	*			trans	-76.6	82.9	167.3	-56.9	175.8	0	0	0	107.4	L687	L687-I689 PolarHBondContact O-N 2.95Å
690	G	30.5	Very low	33.6	Very low	49 Å²	49	110.3 Å²	110.3	51%	0.505	65%	0.647	S	S	.	*			trans	-68.2	127.1	167.5	0	0	0	0	0	110	F688 F692	F688-G690 PolarHBondContact O-N 2.94Å; G690-F692 PolarHBondContact O-N 3.23Å
691	I	29.8	Very low	33.5	Very low	131 Å²	131	108.1 Å²	108.1	67%	0.672	64%	0.641	S	S	*	*			trans	-61.6	103.5	176.2	-58.8	168.6	0	0	0	108.6	Y693	I691-Y693 HydrophobicContact CG2-CD2 3.52Å; I691-Y693 HydrophobicContact CG2-CE2 3.6Å; I691-Y693 HydrophobicContact CG2-CG 4.47Å; I691-Y693 PolarHBondContact O-N 3.02Å
692	F	29.1	Very low	33.1	Very low	209 Å²	209	115.1 Å²	115.1	92%	0.917	68%	0.683	S	S	*	*			trans	-79.1	97.5	163	-86.9	-82.6	0	0	0	108.4	G690	G690-F692 PolarHBondContact O-N 3.23Å
693	Y	23.9	Very low	33.2	Very low	215 Å²	215	121 Å²	121	84%	0.843	70%	0.702	S	S	*	*			trans	-64.6	127	157.4	-88.4	-91.9	0	0	0	108.7	I691	I691-Y693 HydrophobicContact CG2-CD2 3.52Å; I691-Y693 HydrophobicContact CG2-CE2 3.6Å; I691-Y693 HydrophobicContact CG2-CG 4.47Å; I691-Y693 PolarHBondContact O-N 3.02Å
694	G	29.9	Very low	32.5	Very low	126 Å²	126	122.5 Å²	122.5	100%	1.299	70%	0.699	S	S	*	*			trans	175.5	0	175.8	0	0	0	0	0	111.8	R341	R341-G694 PolarHBondContact NH2-O 3.47Å

Retrieved 694 of 694 residues in 148.3 ms (Link to these results)

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