A0A087YJA8_POEFO Loading...

alpha-1,2-Mannosidase

Involved in the maturation of Asn-linked oligosaccharides. Progressively trim alpha-1,2-linked mannose residues from Man(9)GlcNAc(2) to produce Man(5)GlcNAc(2).

AlphaFold DB , UniProt , Accession A0A087YJA8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 648 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	35.4	Very low	235 Å²	235	133.5 Å²	133.5	100%	1.158	82%	0.815	S	S	*	*				0	142.3	0	-73	160.2	165.6	0	0	108.2
2	T	30.7	Very low	35	Very low	125 Å²	125	142.8 Å²	142.8	77%	0.767	83%	0.825	S	S	*	*			trans	42.5	89.4	156	53	0	0	0	0	120.9
3	T	29.8	Very low	34.5	Very low	128 Å²	128	150.6 Å²	150.6	79%	0.785	83%	0.832	S	S	*	*				31.3	155	114.8	56.1	0	0	0	0	122.8
4	P	56.8	Low	35.1	Very low	128 Å²	128	151.7 Å²	151.7	83%	0.831	83%	0.834	S	S	*	*			cis	-119	-139.5	-10.3	31.7	-8.5	0	0	0	110
5	A	36.8	Very low	35.2	Very low	81 Å²	81	148.6 Å²	148.6	67%	0.669	82%	0.823	S	S	*	*			cis	-167	169.9	-7.2	0	0	0	0	0	107.3
6	L	31.2	Very low	34.7	Very low	162 Å²	162	147.6 Å²	147.6	85%	0.848	82%	0.823	S	S	*	*			cis	-162.2	174.6	-21.1	-117.6	175.1	0	0	0	109.4
7	L	29.8	Very low	34.2	Very low	155 Å²	155	148.4 Å²	148.4	81%	0.812	82%	0.824	S	S	*	*			trans	-152.8	-175.3	179.7	-92.3	173.2	0	0	0	108.7
8	P	51.7	Low	34.3	Very low	107 Å²	107	146.3 Å²	146.3	70%	0.695	82%	0.821	S	S	*	*			cis	-130.8	-134.1	7.5	31.3	-3.6	0	0	0	112.2
9	L	32.3	Very low	34.5	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	82%	0.821	S	S	*	*			cis	-164.4	143.3	1.3	-134.2	-178.1	0	0	0	111.9
10	S	32.6	Very low	34.1	Very low	121 Å²	121	142 Å²	142	85%	0.846	82%	0.821	S	S	*	*			trans	67.8	147.8	150.9	-145.3	0	0	0	0	124.4
11	G	28.3	Very low	33.7	Very low	74 Å²	74	139.7 Å²	139.7	76%	0.763	82%	0.819	S	S	*	*			trans	154.8	135.2	159.2	0	0	0	0	0	116.7
12	R	30.7	Very low	33.7	Very low	245 Å²	245	133.7 Å²	133.7	93%	0.925	80%	0.8	S	S	*	*			trans	-143.7	142.2	177.3	-108.7	-173.7	170.3	-178.2	-3.7	111.9
13	R	28.4	Very low	33.6	Very low	245 Å²	245	133.4 Å²	133.4	93%	0.925	80%	0.803	S	S	*	*			trans	139.3	160.3	142.2	-77	-175.8	-170.7	-148.7	4.3	114.3
14	I	42.7	Very low	33.6	Very low	166 Å²	166	136.3 Å²	136.3	85%	0.851	81%	0.806	S	S	*	*			trans	-127.6	132.2	177.2	-67	161.7	0	0	0	106.8
15	P	37.3	Very low	32.4	Very low	105 Å²	105	136.8 Å²	136.8	68%	0.682	81%	0.806	S	S	*	*				-159.4	175	117.6	38.6	-18.1	0	0	0	118.4
16	T	25.8	Very low	32.3	Very low	133 Å²	133	141.1 Å²	141.1	82%	0.816	81%	0.812	S	S	*	*			trans	78.9	167.8	148.1	37.1	0	0	0	0	122.5
17	L	27.5	Very low	32.6	Very low	161 Å²	161	142.5 Å²	142.5	84%	0.843	81%	0.814	S	S	*	*			trans	-100.9	166.8	-157.3	-80.9	71.4	0	0	0	116
18	S	35.3	Very low	33	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	81%	0.808	S	S	*	*			trans	-16	150.6	154	-51.1	0	0	0	0	118.5
19	P	38	Very low	33.1	Very low	126 Å²	126	143.6 Å²	143.6	82%	0.818	82%	0.816	S	S	*	*				-154	162.7	64	41.4	-21.3	0	0	0	120.2
20	G	25.8	Very low	34.3	Very low	80 Å²	80	141 Å²	141	83%	0.825	81%	0.806	S	S	*	*			trans	80.5	155	154.9	0	0	0	0	0	117.9
21	A	27.3	Very low	35.7	Very low	93 Å²	93	139.6 Å²	139.6	77%	0.769	79%	0.789	S	S	*	*			cis	-158.5	159.4	-9.9	0	0	0	0	0	112.6
22	S	28.4	Very low	38	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	78%	0.778	S	S	*	*			trans	53.2	115.1	156.7	63.6	0	0	0	0	121.8
23	S	28.8	Very low	39.5	Very low	119 Å²	119	137.3 Å²	137.3	83%	0.832	77%	0.766	S	S	*	*				-146.9	141	118.3	60.2	0	0	0	0	110.3
24	F	30.6	Very low	40.9	Very low	190 Å²	190	129 Å²	129	83%	0.833	75%	0.746	S	S	*	*			trans	-87.7	143.7	-179.7	-82.2	-105	0	0	0	111.1
25	T	30.8	Very low	42.1	Very low	137 Å²	137	124.4 Å²	124.4	84%	0.84	72%	0.721	S	S	*	*			trans	-122.4	115.9	160.4	46.4	0	0	0	0	109.5
26	H	34.7	Very low	43.7	Very low	172 Å²	172	124.3 Å²	124.3	80%	0.796	71%	0.709	S	S	*	*			trans	-71.2	132	-179.2	-72.2	-95.4	0	0	0	111.1	R28	H26-R28 PolarHBondContact O-N 3.42Å
27	H	37.5	Very low	45.8	Very low	192 Å²	192	123.9 Å²	123.9	89%	0.889	70%	0.696	S	S	*	*			trans	-64	128.7	160.2	-78.6	-37.8	0	0	0	109.9	A29	H27-A29 PolarHBondContact O-N 3.17Å; H27-A29 VanDerWaalsContact O-N 3.14Å
28	R	39	Very low	48.1	Very low	180 Å²	180	120.9 Å²	120.9	68%	0.679	68%	0.68	S	S	*	*			trans	-84.4	89.5	-169.6	-169.9	-176.7	-166.8	135.4	5.2	110.9	H26 T30	H26-R28 PolarHBondContact O-N 3.42Å; R28-T30 PolarHBondContact O-N 2.91Å
29	A	53.8	Low	50	Low	104 Å²	104	120.2 Å²	120.2	86%	0.86	67%	0.667	S	S	*	*			trans	-68.9	19.6	-177.3	0	0	0	0	0	115.9	H27	H27-A29 PolarHBondContact O-N 3.17Å; H27-A29 VanDerWaalsContact O-N 3.14Å
30	T	57.1	Low	51.8	Low	97 Å²	97	119.2 Å²	119.2	60%	0.595	66%	0.655	S	S	*	*			trans	-143.3	118.8	-177.6	47.5	0	0	0	0	112.9	R28	R28-T30 PolarHBondContact O-N 2.91Å
31	L	63	Low	54.3	Low	93 Å²	93	121.1 Å²	121.1	49%	0.487	65%	0.646	S	S	.	*			trans	-62.6	144.6	166.6	-69.4	168.4	0	0	0	111	E35 K36 L39	L31-E35 WeakPolarHBondContact CA-OE2 3.46Å; L31-E35 HydrophobicContact CB-CB 4.33Å; L31-E35 HydrophobicContact CD2-CB 4.31Å; L31-E35 WeakPolarHBondContact CD2-OE2 3.49Å; L31-K36 HydrophobicContact CB-CG 4.08Å; L31-K36 WeakPolarHBondContact O-CE 3.35Å; L31-L39 HydrophobicContact CD1-CD1 3.73Å
32	R	74.9	Confident	56.7	Low	142 Å²	142	121.7 Å²	121.7	54%	0.536	63%	0.634	S	S	.	*			trans	-68.4	158.6	174.9	-55.1	-175.4	-173.2	-156.1	2.9	110.8	S34 E35 K36	R32-S34 VanDerWaalsContact C-N 3.29Å; R32-S34 PolarHBondContact O-N 2.74Å; R32-E35 HydrophobicContact CB-CG 4.3Å; R32-E35 WeakPolarHBondContact CB-OE1 3.4Å; R32-E35 VanDerWaalsContact CD-OE1 3.23Å; R32-E35 WeakPolarHBondContact CD-OE1 3.14Å; R32-E35 VanDerWaalsContact CG-OE1 3.24Å; R32-E35 WeakPolarHBondContact CG-OE1 3.45Å; R32-E35 PolarHBondContact N-OE2 3.21Å; R32-E35 IonicContact NE-OE1 2.79Å; R32-E35 WeakPolarHBondContact O-CB 3.38Å; R32-E35 PolarHBondContact O-N 2.58Å; R32-E35 VanDerWaalsContact O-N 3.16Å; R32-K36 PolarHBondContact O-N 2.98Å; R32-K36 VanDerWaalsContact O-N 3.11Å
33	L	62.1	Low	58.8	Low	128 Å²	128	121.2 Å²	121.2	67%	0.67	62%	0.623	S	S	*	*	H	α-helix	trans	-60	-39.3	-176.7	-161.9	72.1	0	0	0	112.3	K36 F37	L33-K36 PolarHBondContact O-N 3.23Å; L33-F37 HydrophobicContact CD2-CE2 4.28Å; L33-F37 HydrophobicContact CG-CD2 4.18Å; L33-F37 HydrophobicContact CG-CE2 4.03Å; L33-F37 WeakPolarHBondContact O-CD2 3.25Å; L33-F37 PolarHBondContact O-N 3.42Å
34	S	59.5	Low	60.9	Low	72 Å²	72	118.7 Å²	118.7	50%	0.503	61%	0.605	S	S	.	*	H	α-helix	trans	-61.2	-43.5	174.8	47.2	0	0	0	0	113.2	R32 K36 F37 I38	R32-S34 VanDerWaalsContact C-N 3.29Å; R32-S34 PolarHBondContact O-N 2.74Å; S34-K36 VanDerWaalsContact C-N 3.31Å; S34-K36 PolarHBondContact O-N 2.84Å; S34-F37 PolarHBondContact O-N 3.04Å; S34-I38 WeakPolarHBondContact O-CG1 3.41Å; S34-I38 PolarHBondContact O-N 2.85Å
35	E	67.7	Low	63	Low	69 Å²	69	112.5 Å²	112.5	32%	0.322	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-38.6	177.7	-66	149.5	-156.4	0	0	110.8	L31 R32 I38 L39	L31-E35 WeakPolarHBondContact CA-OE2 3.46Å; L31-E35 HydrophobicContact CB-CB 4.33Å; L31-E35 HydrophobicContact CD2-CB 4.31Å; L31-E35 WeakPolarHBondContact CD2-OE2 3.49Å; R32-E35 HydrophobicContact CB-CG 4.3Å; R32-E35 WeakPolarHBondContact CB-OE1 3.4Å; R32-E35 VanDerWaalsContact CD-OE1 3.23Å; R32-E35 WeakPolarHBondContact CD-OE1 3.14Å; R32-E35 VanDerWaalsContact CG-OE1 3.24Å; R32-E35 WeakPolarHBondContact CG-OE1 3.45Å; R32-E35 PolarHBondContact N-OE2 3.21Å; R32-E35 IonicContact NE-OE1 2.79Å; R32-E35 WeakPolarHBondContact O-CB 3.38Å; R32-E35 PolarHBondContact O-N 2.58Å; R32-E35 VanDerWaalsContact O-N 3.16Å; E35-I38 PolarHBondContact O-N 3.46Å; E35-L39 WeakPolarHBondContact O-CG 3.39Å; E35-L39 PolarHBondContact O-N 3.48Å
36	K	70.1	Confident	64.8	Low	102 Å²	102	112.4 Å²	112.4	44%	0.443	58%	0.577	S	S	.	*	H	α-helix	trans	-65.7	-39.6	173.8	-66.1	179.1	-179.9	-178.5	0	112.8	L31 R32 L33 S34 L39 L40	L31-K36 HydrophobicContact CB-CG 4.08Å; L31-K36 WeakPolarHBondContact O-CE 3.35Å; R32-K36 PolarHBondContact O-N 2.98Å; R32-K36 VanDerWaalsContact O-N 3.11Å; L33-K36 PolarHBondContact O-N 3.23Å; S34-K36 VanDerWaalsContact C-N 3.31Å; S34-K36 PolarHBondContact O-N 2.84Å; K36-L39 PolarHBondContact O-N 2.87Å; K36-L40 WeakPolarHBondContact O-CB 3.47Å; K36-L40 PolarHBondContact O-N 3.29Å
37	F	70.4	Confident	66.6	Low	124 Å²	124	108.1 Å²	108.1	54%	0.544	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-39.2	174.8	-89.9	-71	0	0	0	112.6	L33 S34 L40 L41	L33-F37 HydrophobicContact CD2-CE2 4.28Å; L33-F37 HydrophobicContact CG-CD2 4.18Å; L33-F37 HydrophobicContact CG-CE2 4.03Å; L33-F37 WeakPolarHBondContact O-CD2 3.25Å; L33-F37 PolarHBondContact O-N 3.42Å; S34-F37 PolarHBondContact O-N 3.04Å; F37-L40 PolarHBondContact O-N 3.22Å; F37-L41 WeakPolarHBondContact O-CG 3.31Å; F37-L41 PolarHBondContact O-N 3.45Å
38	I	76.3	Confident	68.2	Low	99 Å²	99	103.4 Å²	103.4	51%	0.508	54%	0.544	S	S	.	.	H	α-helix	trans	-64	-44.9	175.1	-68.3	165.2	0	0	0	110.6	S34 E35 L40 L41 I42	S34-I38 WeakPolarHBondContact O-CG1 3.41Å; S34-I38 PolarHBondContact O-N 2.85Å; E35-I38 PolarHBondContact O-N 3.46Å; I38-L40 PolarHBondContact O-N 2.95Å; I38-L41 PolarHBondContact O-N 3.15Å; I38-I42 HydrophobicContact CG2-CD1 3.84Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 2.91Å
39	L	73.4	Confident	69.6	Low	96 Å²	96	101.2 Å²	101.2	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-62.6	-38.9	175.1	-75.7	165.6	0	0	0	112.7	L31 E35 K36 I42 L43	L31-L39 HydrophobicContact CD1-CD1 3.73Å; E35-L39 WeakPolarHBondContact O-CG 3.39Å; E35-L39 PolarHBondContact O-N 3.48Å; K36-L39 PolarHBondContact O-N 2.87Å; L39-I42 PolarHBondContact O-N 3.38Å; L39-L43 VanDerWaalsContact O-CB 3.29Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 PolarHBondContact O-N 3.19Å
40	L	76.2	Confident	70.1	Confident	105 Å²	105	99.2 Å²	99.2	55%	0.55	52%	0.524	S	S	.	.	H	α-helix	trans	-64.7	-39.3	173.9	-91.4	161.7	0	0	0	112.7	K36 F37 I38 S44	K36-L40 WeakPolarHBondContact O-CB 3.47Å; K36-L40 PolarHBondContact O-N 3.29Å; F37-L40 PolarHBondContact O-N 3.22Å; I38-L40 PolarHBondContact O-N 2.95Å; L40-S44 WeakPolarHBondContact O-CB 3.3Å; L40-S44 PolarHBondContact O-N 2.93Å
41	L	79	Confident	70.3	Confident	121 Å²	121	100.7 Å²	100.7	63%	0.634	52%	0.523	S	S	*	.	H	α-helix	trans	-66.5	-42.5	175	-78.9	164.7	0	0	0	112	F37 I38 S44 A45	F37-L41 WeakPolarHBondContact O-CG 3.31Å; F37-L41 PolarHBondContact O-N 3.45Å; I38-L41 PolarHBondContact O-N 3.15Å; L41-S44 PolarHBondContact O-N 3.15Å; L41-A45 WeakPolarHBondContact O-CB 3.4Å; L41-A45 PolarHBondContact O-N 2.87Å
42	I	77.9	Confident	69.5	Low	104 Å²	104	97.8 Å²	97.8	53%	0.533	52%	0.515	S	S	.	.	H	α-helix	trans	-63.9	-44.8	175.6	-67.7	166.3	0	0	0	110.7	I38 L39 A45 F46	I38-I42 HydrophobicContact CG2-CD1 3.84Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 2.91Å; L39-I42 PolarHBondContact O-N 3.38Å; I42-A45 PolarHBondContact O-N 3.45Å; I42-F46 WeakPolarHBondContact O-CB 3.46Å; I42-F46 PolarHBondContact O-N 3Å
43	L	72.8	Confident	68.5	Low	100 Å²	100	94.2 Å²	94.2	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-40.7	177.7	-170.2	70.3	0	0	0	111.8	L39 F46 I47	L39-L43 VanDerWaalsContact O-CB 3.29Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 PolarHBondContact O-N 3.19Å; L43-F46 PolarHBondContact O-N 3.28Å; L43-I47 HydrophobicContact CG-CD1 4.01Å; L43-I47 WeakPolarHBondContact O-CB 3.38Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.48Å; L43-I47 PolarHBondContact O-N 2.84Å
44	S	72.8	Confident	68	Low	65 Å²	65	95.7 Å²	95.7	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-62.6	-44.9	174.8	-177.3	0	0	0	0	111.9	L40 L41 F46 I47 T48	L40-S44 WeakPolarHBondContact O-CB 3.3Å; L40-S44 PolarHBondContact O-N 2.93Å; L41-S44 PolarHBondContact O-N 3.15Å; S44-F46 PolarHBondContact O-N 3.14Å; S44-I47 PolarHBondContact O-N 2.73Å; S44-T48 WeakPolarHBondContact O-CB 3.44Å; S44-T48 PolarHBondContact O-N 3.45Å; S44-T48 PolarHBondContact O-OG1 3.49Å
45	A	73.8	Confident	67.5	Low	61 Å²	61	101 Å²	101	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-41.4	174.6	0	0	0	0	0	111.8	L41 I42 T48 L49	L41-A45 WeakPolarHBondContact O-CB 3.4Å; L41-A45 PolarHBondContact O-N 2.87Å; I42-A45 PolarHBondContact O-N 3.45Å; A45-T48 PolarHBondContact O-N 3.02Å; A45-L49 WeakPolarHBondContact O-CB 3.29Å; A45-L49 PolarHBondContact O-N 3.16Å
46	F	68.7	Low	66.2	Low	134 Å²	134	106.7 Å²	106.7	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-66	-43.9	177.6	-164.6	-98.1	0	0	0	112.2	I42 L43 S44 T48 L49 C50	I42-F46 WeakPolarHBondContact O-CB 3.46Å; I42-F46 PolarHBondContact O-N 3Å; L43-F46 PolarHBondContact O-N 3.28Å; S44-F46 PolarHBondContact O-N 3.14Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-T48 PolarHBondContact O-N 3.34Å; F46-L49 PolarHBondContact O-N 2.86Å; F46-C50 WeakPolarHBondContact O-CB 3.41Å; F46-C50 PolarHBondContact O-N 2.78Å; F46-C50 PolarHBondContact O-SG 2.62Å; F46-C50 VanDerWaalsContact O-SG 3.35Å
47	I	73.4	Confident	64.9	Low	83 Å²	83	108.2 Å²	108.2	43%	0.426	57%	0.568	S	S	.	*	H	α-helix	trans	-60.2	-45.1	172.5	-72.6	163.4	0	0	0	110.4	L43 S44 L49 C50 F51	L43-I47 HydrophobicContact CG-CD1 4.01Å; L43-I47 WeakPolarHBondContact O-CB 3.38Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.48Å; L43-I47 PolarHBondContact O-N 2.84Å; S44-I47 PolarHBondContact O-N 2.73Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 2.71Å; I47-C50 PolarHBondContact O-N 2.73Å; I47-F51 HydrophobicContact CG2-CD2 4.02Å; I47-F51 WeakPolarHBondContact O-CB 3.47Å; I47-F51 WeakPolarHBondContact O-CD2 3.4Å; I47-F51 PolarHBondContact O-N 2.87Å
48	T	70.9	Confident	63.2	Low	92 Å²	92	108 Å²	108	56%	0.564	58%	0.579	S	S	*	*	H	α-helix	trans	-64.7	-33.9	179	-53.7	0	0	0	0	111.8	S44 A45 F46 G52	S44-T48 WeakPolarHBondContact O-CB 3.44Å; S44-T48 PolarHBondContact O-N 3.45Å; S44-T48 PolarHBondContact O-OG1 3.49Å; A45-T48 PolarHBondContact O-N 3.02Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-T48 PolarHBondContact O-N 3.34Å; T48-G52 WeakPolarHBondContact O-CA 3.42Å; T48-G52 PolarHBondContact O-N 3.28Å
49	L	68.9	Low	61.3	Low	135 Å²	135	111.2 Å²	111.2	71%	0.707	60%	0.597	S	S	*	*	H	α-helix	trans	-71.8	-46.1	175	-163.4	75.5	0	0	0	112	A45 F46 I47	A45-L49 WeakPolarHBondContact O-CB 3.29Å; A45-L49 PolarHBondContact O-N 3.16Å; F46-L49 PolarHBondContact O-N 2.86Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 2.71Å
50	C	62.7	Low	59.3	Low	62 Å²	62	114 Å²	114	42%	0.419	61%	0.613	S	S	.	*	H	α-helix	trans	-71.9	-31.9	-178.2	-68.8	0	0	0	0	113.8	F46 I47	F46-C50 WeakPolarHBondContact O-CB 3.41Å; F46-C50 PolarHBondContact O-N 2.78Å; F46-C50 PolarHBondContact O-SG 2.62Å; F46-C50 VanDerWaalsContact O-SG 3.35Å; I47-C50 PolarHBondContact O-N 2.73Å
51	F	60.9	Low	57.4	Low	128 Å²	128	113.6 Å²	113.6	56%	0.561	62%	0.619	S	S	*	*	H	α-helix	trans	-107.4	-16.6	-178.2	-67	-84.6	0	0	0	114	I47 A53 F54	I47-F51 HydrophobicContact CG2-CD2 4.02Å; I47-F51 WeakPolarHBondContact O-CB 3.47Å; I47-F51 WeakPolarHBondContact O-CD2 3.4Å; I47-F51 PolarHBondContact O-N 2.87Å; F51-A53 PolarHBondContact O-N 3Å; F51-F54 WeakPolarHBondContact O-CB 3.34Å; F51-F54 PolarHBondContact O-N 2.9Å
52	G	47.3	Very low	55.1	Low	31 Å²	31	117 Å²	117	32%	0.32	63%	0.628	S	S	.	*	H	α-helix	trans	-62.2	-32.6	172.4	0	0	0	0	0	112.7	T48 F54 F55	T48-G52 WeakPolarHBondContact O-CA 3.42Å; T48-G52 PolarHBondContact O-N 3.28Å; G52-F54 PolarHBondContact O-N 3.19Å; G52-F55 PolarHBondContact O-N 2.93Å; G52-F55 VanDerWaalsContact O-N 3.11Å
53	A	52.6	Low	52.9	Low	68 Å²	68	121.4 Å²	121.4	56%	0.562	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-20.5	172.8	0	0	0	0	0	114	F51	F51-A53 PolarHBondContact O-N 3Å
54	F	52	Low	50.9	Low	159 Å²	159	126.4 Å²	126.4	70%	0.697	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-19.2	174.7	-95.9	-91	0	0	0	113.7	F51 G52	F51-F54 WeakPolarHBondContact O-CB 3.34Å; F51-F54 PolarHBondContact O-N 2.9Å; G52-F54 PolarHBondContact O-N 3.19Å
55	F	48.6	Very low	48.9	Very low	182 Å²	182	133.4 Å²	133.4	80%	0.798	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-3.4	-176.2	-86.4	-84.9	0	0	0	114.7	G52	G52-F55 PolarHBondContact O-N 2.93Å; G52-F55 VanDerWaalsContact O-N 3.11Å
56	F	42.1	Very low	46.8	Very low	189 Å²	189	140.5 Å²	140.5	83%	0.829	70%	0.7	S	S	*	*	S	Bend	trans	-118.2	19.2	180	-92.4	-80.9	0	0	0	114.3
57	L	41.7	Very low	44.9	Very low	135 Å²	135	140 Å²	140	71%	0.707	70%	0.704	S	S	*	*	S	Bend	trans	-85.1	126.6	164.9	-71.1	170.6	0	0	0	109.3
58	P	35.9	Very low	42.9	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-68.4	139.3	176.6	28.6	-34	0	0	0	110.8	N60	P58-N60 PolarHBondContact O-N 3.46Å
59	D	36.6	Very low	40.8	Very low	165 Å²	165	143.6 Å²	143.6	88%	0.882	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-60	120.1	-175.6	-122.6	-39.6	0	0	0	112.1
60	N	30.8	Very low	38.8	Very low	155 Å²	155	143.8 Å²	143.8	83%	0.829	74%	0.739	S	S	*	*			trans	-152.5	122.6	156.4	-126.5	-42.9	0	0	0	112.4	P58 K62	P58-N60 PolarHBondContact O-N 3.46Å; N60-K62 PolarHBondContact O-N 2.94Å
61	S	35.3	Very low	37.3	Very low	96 Å²	96	149 Å²	149	67%	0.671	76%	0.757	S	S	*	*			trans	-59	127.9	-163.2	59.8	0	0	0	0	116
62	K	31.5	Very low	35.8	Very low	193 Å²	193	150 Å²	150	84%	0.839	77%	0.768	S	S	*	*			trans	168.7	84.8	132.3	-91.5	156.2	-173.1	171.4	0	111.7	N60 K64	N60-K62 PolarHBondContact O-N 2.94Å; K62-K64 PolarHBondContact O-N 3.46Å
63	H	32	Very low	35.1	Very low	196 Å²	196	154.5 Å²	154.5	91%	0.907	79%	0.789	S	S	*	*			trans	-70.6	119.8	166.8	-79.8	15	0	0	0	110.7	R65	H63-R65 PolarHBondContact O-N 3.47Å
64	K	30	Very low	33.9	Very low	205 Å²	205	159.1 Å²	159.1	89%	0.891	80%	0.803	S	S	*	*			trans	-78.4	111.3	155.8	-85.4	-172	173.4	-177	0	108.1	K62 F66	K62-K64 PolarHBondContact O-N 3.46Å; K64-F66 PolarHBondContact O-N 3.46Å
65	R	30.6	Very low	32.8	Very low	212 Å²	212	158.2 Å²	158.2	80%	0.8	80%	0.804	S	S	*	*			trans	-62.2	130.6	169.2	-153.9	178.8	-164.3	170.3	4.3	108.4	H63 D67	H63-R65 PolarHBondContact O-N 3.47Å; R65-D67 PolarHBondContact O-N 2.94Å
66	F	30.4	Very low	31.9	Very low	211 Å²	211	155.1 Å²	155.1	93%	0.925	80%	0.802	S	S	*	*			trans	-67.8	123	155.3	-97.8	-100.1	0	0	0	106.4	K64	K64-F66 PolarHBondContact O-N 3.46Å
67	D	28.6	Very low	31.2	Very low	124 Å²	124	155.3 Å²	155.3	66%	0.663	81%	0.806	S	S	*	*			trans	-133.5	137.7	177.6	-133.1	-33.7	0	0	0	110.6	R65	R65-D67 PolarHBondContact O-N 2.94Å
68	L	30.5	Very low	30.5	Very low	172 Å²	172	156.4 Å²	156.4	90%	0.901	81%	0.81	S	S	*	*			trans	-93	101.4	-179.5	-84.7	156.6	0	0	0	107.5	L70	L68-L70 PolarHBondContact O-N 2.93Å
69	G	26.8	Very low	30.3	Very low	77 Å²	77	158 Å²	158	79%	0.794	81%	0.812	S	S	*	*			trans	-63.9	115.7	-168.2	0	0	0	0	0	114.4
70	L	28.7	Very low	29.9	Very low	140 Å²	140	155.6 Å²	155.6	73%	0.733	81%	0.809	S	S	*	*			trans	-151.9	129.7	151.3	-141	79.8	0	0	0	108.8	L68	L68-L70 PolarHBondContact O-N 2.93Å
71	E	29.8	Very low	30.5	Very low	171 Å²	171	154 Å²	154	80%	0.799	81%	0.806	S	S	*	*			trans	63.5	148.3	162.8	-69.3	158.4	-177.6	0	0	117
72	D	30.5	Very low	30.1	Very low	148 Å²	148	157.6 Å²	157.6	79%	0.791	81%	0.81	S	S	*	*			cis	-147	175.9	-6.4	-148.3	-17.1	0	0	0	111.7
73	V	31.3	Very low	29.9	Very low	127 Å²	127	156.4 Å²	156.4	77%	0.77	81%	0.807	S	S	*	*			trans	-80.5	127.6	179.5	176.2	0	0	0	0	112.2
74	L	28.6	Very low	29.8	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	80%	0.799	S	S	*	*			trans	-154.3	164	158.6	-111.4	159	0	0	0	113.9
75	I	29	Very low	29.7	Very low	141 Å²	141	150.6 Å²	150.6	72%	0.723	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-86.9	143	-161.9	-64.5	161.1	0	0	0	111.4
76	P	28.2	Very low	29.6	Very low	116 Å²	116	149.8 Å²	149.8	75%	0.753	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71	138.2	175.5	29.8	-35.8	0	0	0	112.5
77	H	27.5	Very low	29.5	Very low	194 Å²	194	143.1 Å²	143.1	90%	0.898	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.7	157.6	169.1	-104.1	-88.5	0	0	0	112.1
78	I	28.6	Very low	29.5	Very low	158 Å²	158	143.3 Å²	143.3	81%	0.81	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-85.3	135.6	-175.1	-71	165.6	0	0	0	111.3
79	D	30.3	Very low	29.3	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68.9	155.8	171.3	-81.6	-46.3	0	0	0	113.2
80	S	28	Very low	29.3	Very low	115 Å²	115	143.3 Å²	143.3	80%	0.804	80%	0.804	S	S	*	*			trans	-147.9	145.9	156.3	-78.9	0	0	0	0	111.5
81	P	44.1	Very low	29.3	Very low	120 Å²	120	143.8 Å²	143.8	78%	0.779	81%	0.812	S	S	*	*			trans	-109.6	174.1	-152.5	41.2	-35.7	0	0	0	114.3
82	K	27.6	Very low	29.2	Very low	173 Å²	173	141.6 Å²	141.6	75%	0.752	81%	0.805	S	S	*	*			trans	-160.3	144	146.4	-114.6	169.1	-177.1	-178.2	0	115.8
83	E	27.5	Very low	29.4	Very low	167 Å²	167	141.4 Å²	141.4	78%	0.78	80%	0.802	S	S	*	*			trans	12.4	132.5	144.2	-61.2	146.3	-151.3	0	0	118.5
84	G	28.8	Very low	29.4	Very low	71 Å²	71	144 Å²	144	73%	0.732	81%	0.805	S	S	*	*			cis	111.4	106.3	-0.1	0	0	0	0	0	114.6
85	K	27.8	Very low	29.5	Very low	208 Å²	208	139.3 Å²	139.3	90%	0.904	80%	0.796	S	S	*	*			trans	-167.5	153	160.7	-114	158.9	-172.1	172.3	0	116.1
86	H	29	Very low	29.6	Very low	195 Å²	195	142.1 Å²	142.1	90%	0.903	81%	0.807	S	S	*	*			trans	-52.3	160.8	-174.6	-63.2	-95.7	0	0	0	119.5
87	G	27.6	Very low	29.8	Very low	72 Å²	72	140.1 Å²	140.1	74%	0.742	81%	0.807	S	S	*	*			trans	-176.3	36.5	169.1	0	0	0	0	0	118.3
88	S	28.3	Very low	30.5	Very low	127 Å²	127	134.2 Å²	134.2	89%	0.888	80%	0.798	S	S	*	*			trans	9.4	127.1	151.9	55.9	0	0	0	0	121.9
89	G	27.9	Very low	31.1	Very low	84 Å²	84	135 Å²	135	87%	0.866	80%	0.798	S	S	*	*			trans	-161.5	134.7	158.6	0	0	0	0	0	111.2
90	Q	27.1	Very low	31.8	Very low	166 Å²	166	132.9 Å²	132.9	78%	0.776	79%	0.787	S	S	*	*			trans	-139.7	132.7	-165.4	-175	179.9	20.1	0	0	112.5	I92	Q90-I92 HydrophobicContact CG-CD1 4.27Å; Q90-I92 HydrophobicContact CG-CG1 4.12Å
91	V	27.6	Very low	32.7	Very low	150 Å²	150	135.4 Å²	135.4	91%	0.909	79%	0.786	S	S	*	*			trans	-142	146.3	168.5	-177	0	0	0	0	108.1
92	I	28.3	Very low	32.9	Very low	124 Å²	124	135 Å²	135	64%	0.636	78%	0.777	S	S	*	*			trans	-142.4	162.8	-169.2	-36.8	176.1	0	0	0	111	Q90	Q90-I92 HydrophobicContact CG-CD1 4.27Å; Q90-I92 HydrophobicContact CG-CG1 4.12Å
93	I	34.8	Very low	34	Very low	144 Å²	144	134.4 Å²	134.4	74%	0.738	77%	0.77	S	S	*	*			trans	87.3	130.9	169.9	-52.6	174.2	0	0	0	113.2
94	H	31.2	Very low	35.3	Very low	182 Å²	182	132.3 Å²	132.3	84%	0.843	76%	0.76	S	S	*	*			cis	-103.1	-155.1	-2.3	-125.7	-42	0	0	0	110.9
95	G	30.7	Very low	36.5	Very low	65 Å²	65	137 Å²	137	67%	0.67	76%	0.756	S	S	*	*			cis	98.2	136.2	12.3	0	0	0	0	0	112.4
96	Q	30.7	Very low	38.1	Very low	201 Å²	201	133.6 Å²	133.6	94%	0.939	74%	0.743	S	S	*	*			cis	-150.5	130.9	2.5	178.8	-178.5	13.2	0	0	109.2
97	G	33.3	Very low	39.6	Very low	73 Å²	73	129.2 Å²	129.2	75%	0.753	72%	0.723	S	S	*	*			trans	170.5	34	-177.1	0	0	0	0	0	117.6	H99	G97-H99 PolarHBondContact O-N 3.43Å; G97-H99 VanDerWaalsContact O-N 3.13Å
98	G	40.7	Very low	41.1	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	98.2	-174.6	0	0	0	0	0	114.1
99	H	41.9	Very low	43.2	Very low	175 Å²	175	130.1 Å²	130.1	81%	0.81	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.9	-26.8	155.4	-113.7	-65.7	0	0	0	115.5	G97	G97-H99 PolarHBondContact O-N 3.43Å; G97-H99 VanDerWaalsContact O-N 3.13Å
100	D	45.7	Very low	45.3	Very low	109 Å²	109	129.1 Å²	129.1	58%	0.583	67%	0.674	S	S	*	*	S	Bend	trans	-85.9	-26.7	-176.9	-76.7	-48.5	0	0	0	115.5	N102 R103 H104	D100-N102 PolarHBondContact O-N 3.45Å; D100-R103 PolarHBondContact O-N 3.44Å; D100-R103 VanDerWaalsContact O-N 3.11Å; D100-H104 PolarHBondContact O-N 2.96Å; D100-H104 VanDerWaalsContact O-N 3.09Å
101	E	47	Very low	47.3	Very low	167 Å²	167	126.3 Å²	126.3	78%	0.78	66%	0.664	S	S	*	*	H	α-helix	trans	-60	-40.8	-172.8	-70.8	-168.7	133.9	0	0	113.8	R103 H104 R105	E101-R103 VanDerWaalsContact C-N 3.33Å; E101-R103 PolarHBondContact O-N 2.87Å; E101-H104 PolarHBondContact O-N 2.85Å; E101-R105 PolarHBondContact O-N 3.23Å
102	N	47.4	Very low	49.4	Very low	112 Å²	112	126.7 Å²	126.7	60%	0.599	65%	0.649	S	S	*	*	H	α-helix	trans	-64	-39.5	177.5	-88.1	-4.4	0	0	0	111.8	D100 R105 E106	D100-N102 PolarHBondContact O-N 3.45Å; N102-R105 PolarHBondContact O-N 2.94Å; N102-E106 WeakPolarHBondContact O-CG 3.19Å; N102-E106 PolarHBondContact O-N 2.89Å
103	R	51.3	Low	51.8	Low	160 Å²	160	124.8 Å²	124.8	60%	0.604	64%	0.64	S	S	*	*	H	α-helix	trans	-66.2	-44.4	-179.5	-171.1	179	-176.5	157.9	7.3	111.2	D100 E101 R105 E106 E107	D100-R103 PolarHBondContact O-N 3.44Å; D100-R103 VanDerWaalsContact O-N 3.11Å; E101-R103 VanDerWaalsContact C-N 3.33Å; E101-R103 PolarHBondContact O-N 2.87Å; R103-R105 VanDerWaalsContact C-N 3.28Å; R103-R105 PolarHBondContact O-N 3.39Å; R103-E106 PolarHBondContact O-N 2.89Å; R103-E107 IonicContact NE-OE1 2.73Å; R103-E107 PolarHBondContact NE-OE1 2.89Å; R103-E107 WeakPolarHBondContact O-CB 3.41Å; R103-E107 WeakPolarHBondContact O-CG 3.22Å; R103-E107 PolarHBondContact O-N 3.46Å
104	H	53.4	Low	53.9	Low	123 Å²	123	124.2 Å²	124.2	57%	0.569	63%	0.632	S	S	*	*	H	α-helix	trans	-62.9	-33.7	172.8	-82.7	-50.3	0	0	0	112.9	D100 E101 E108	D100-H104 PolarHBondContact O-N 2.96Å; D100-H104 VanDerWaalsContact O-N 3.09Å; E101-H104 PolarHBondContact O-N 2.85Å; H104-E108 WeakPolarHBondContact O-CB 3.34Å; H104-E108 PolarHBondContact O-N 2.91Å
105	R	55.8	Low	56.1	Low	171 Å²	171	120.7 Å²	120.7	65%	0.645	62%	0.618	S	S	*	*	H	α-helix	trans	-70.3	-41.2	176.5	-129.2	179.6	75.5	-167.8	2.6	112.9	E101 N102 R103 E108 E109	E101-R105 PolarHBondContact O-N 3.23Å; N102-R105 PolarHBondContact O-N 2.94Å; R103-R105 VanDerWaalsContact C-N 3.28Å; R103-R105 PolarHBondContact O-N 3.39Å; R105-E108 PolarHBondContact O-N 3.45Å; R105-E109 WeakPolarHBondContact O-CB 3.44Å; R105-E109 PolarHBondContact O-N 2.84Å
106	E	60.7	Low	58.3	Low	136 Å²	136	125.4 Å²	125.4	64%	0.636	62%	0.616	S	S	*	*	H	α-helix	trans	-64.8	-40	173.6	-72.6	177.3	176.5	0	0	111.7	N102 R103 E109 S110	N102-E106 WeakPolarHBondContact O-CG 3.19Å; N102-E106 PolarHBondContact O-N 2.89Å; R103-E106 PolarHBondContact O-N 2.89Å; E106-E109 PolarHBondContact O-N 3.41Å; E106-S110 VanDerWaalsContact O-CB 3.3Å; E106-S110 WeakPolarHBondContact O-CB 3.38Å; E106-S110 PolarHBondContact O-N 3.1Å
107	E	59.7	Low	60.9	Low	103 Å²	103	117.9 Å²	117.9	48%	0.481	59%	0.588	S	S	.	*	H	α-helix	trans	-67.3	-41.5	175.3	-73.4	176.3	-168.4	0	0	112	R103 S110 L111	R103-E107 IonicContact NE-OE1 2.73Å; R103-E107 PolarHBondContact NE-OE1 2.89Å; R103-E107 WeakPolarHBondContact O-CB 3.41Å; R103-E107 WeakPolarHBondContact O-CG 3.22Å; R103-E107 PolarHBondContact O-N 3.46Å; E107-S110 PolarHBondContact O-N 3.11Å; E107-L111 WeakPolarHBondContact O-CB 3.35Å; E107-L111 PolarHBondContact O-N 2.95Å
108	E	60.5	Low	63	Low	103 Å²	103	118.1 Å²	118.1	48%	0.481	57%	0.572	S	S	.	*	H	α-helix	trans	-61	-45.2	171.7	-98.3	-140.3	-164.4	0	0	112.5	H104 R105 L111 R112	H104-E108 WeakPolarHBondContact O-CB 3.34Å; H104-E108 PolarHBondContact O-N 2.91Å; R105-E108 PolarHBondContact O-N 3.45Å; E108-L111 PolarHBondContact O-N 3.4Å; E108-R112 WeakPolarHBondContact O-CB 3.22Å; E108-R112 VanDerWaalsContact O-CG 3.24Å; E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 3.39Å; E108-R112 IonicContact OE2-CZ 2.62Å; E108-R112 IonicContact OE2-NE 3.19Å; E108-R112 PolarHBondContact OE2-NE 3.49Å; E108-R112 IonicContact OE2-NH2 3.41Å; E108-R112 PolarHBondContact OE2-NH2 2.81Å
109	E	71	Confident	64.8	Low	115 Å²	115	120.7 Å²	120.7	54%	0.537	57%	0.565	S	S	.	*	H	α-helix	trans	-68	-38.7	-179.6	-170.6	153.9	-149.9	0	0	111	R105 E106 L111 R112 N113	R105-E109 WeakPolarHBondContact O-CB 3.44Å; R105-E109 PolarHBondContact O-N 2.84Å; E106-E109 PolarHBondContact O-N 3.41Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 3.47Å; E109-R112 PolarHBondContact O-N 2.89Å; E109-N113 WeakPolarHBondContact O-CB 3.35Å; E109-N113 VanDerWaalsContact O-CG 3.28Å; E109-N113 PolarHBondContact O-N 2.87Å; E109-N113 PolarHBondContact O-ND2 3.05Å
110	S	73.4	Confident	66.6	Low	63 Å²	63	118 Å²	118	44%	0.441	55%	0.553	S	S	.	*	H	α-helix	trans	-61	-39.8	169	-177.4	0	0	0	0	112.4	E106 E107 K114	E106-S110 VanDerWaalsContact O-CB 3.3Å; E106-S110 WeakPolarHBondContact O-CB 3.38Å; E106-S110 PolarHBondContact O-N 3.1Å; E107-S110 PolarHBondContact O-N 3.11Å; S110-K114 PolarHBondContact O-N 2.96Å
111	L	69.1	Low	68.3	Low	107 Å²	107	119.1 Å²	119.1	56%	0.56	55%	0.549	S	S	*	.	H	α-helix	trans	-69.7	-43.4	179.4	-155	78.6	0	0	0	111.2	E107 E108 E109 N113 K114 I115	E107-L111 WeakPolarHBondContact O-CB 3.35Å; E107-L111 PolarHBondContact O-N 2.95Å; E108-L111 PolarHBondContact O-N 3.4Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 3.47Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 3.33Å; L111-K114 PolarHBondContact O-N 3.45Å; L111-I115 HydrophobicContact CG-CD1 4.29Å; L111-I115 WeakPolarHBondContact O-CD1 3.37Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 3.02Å
112	R	71.1	Confident	69.5	Low	158 Å²	158	113.8 Å²	113.8	60%	0.596	53%	0.533	S	S	*	.	H	α-helix	trans	-61.6	-40	175	-70.9	165.7	-173.9	-88.3	1.9	111.6	E108 E109 I115 R116	E108-R112 WeakPolarHBondContact O-CB 3.22Å; E108-R112 VanDerWaalsContact O-CG 3.24Å; E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 3.39Å; E108-R112 IonicContact OE2-CZ 2.62Å; E108-R112 IonicContact OE2-NE 3.19Å; E108-R112 PolarHBondContact OE2-NE 3.49Å; E108-R112 IonicContact OE2-NH2 3.41Å; E108-R112 PolarHBondContact OE2-NH2 2.81Å; E109-R112 PolarHBondContact O-N 2.89Å; R112-I115 PolarHBondContact O-N 3.22Å; R112-R116 PolarHBondContact O-N 2.8Å
113	N	78.7	Confident	70.7	Confident	84 Å²	84	112.4 Å²	112.4	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-69.2	-38.2	175.8	-74.4	-36.6	0	0	0	112.6	E109 L111 R116 A117	E109-N113 WeakPolarHBondContact O-CB 3.35Å; E109-N113 VanDerWaalsContact O-CG 3.28Å; E109-N113 PolarHBondContact O-N 2.87Å; E109-N113 PolarHBondContact O-ND2 3.05Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 3.33Å; N113-R116 PolarHBondContact O-N 3.09Å; N113-A117 WeakPolarHBondContact O-CB 3.43Å; N113-A117 PolarHBondContact O-N 3.19Å
114	K	79.5	Confident	71.8	Confident	132 Å²	132	110.8 Å²	110.8	57%	0.574	53%	0.525	S	S	*	.	H	α-helix	trans	-60.6	-49.3	169	-83.1	-179.9	174.8	174.2	0	112	S110 L111 R116 A117 D118	S110-K114 PolarHBondContact O-N 2.96Å; L111-K114 PolarHBondContact O-N 3.45Å; K114-R116 VanDerWaalsContact C-N 3.29Å; K114-R116 PolarHBondContact O-N 3.07Å; K114-A117 PolarHBondContact O-N 3.13Å; K114-A117 VanDerWaalsContact O-N 3.14Å; K114-D118 WeakPolarHBondContact O-CB 3.41Å; K114-D118 PolarHBondContact O-N 3.3Å
115	I	76.3	Confident	72.8	Confident	107 Å²	107	109.2 Å²	109.2	55%	0.549	52%	0.517	S	S	.	.	H	α-helix	trans	-58.3	-41.6	178.6	-69.8	162.3	0	0	0	111	L111 R112 H119	L111-I115 HydrophobicContact CG-CD1 4.29Å; L111-I115 WeakPolarHBondContact O-CD1 3.37Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 3.02Å; R112-I115 PolarHBondContact O-N 3.22Å; I115-H119 WeakPolarHBondContact O-CB 3.26Å; I115-H119 PolarHBondContact O-N 3.49Å
116	R	78	Confident	73.3	Confident	164 Å²	164	103.2 Å²	103.2	62%	0.619	50%	0.504	S	S	*	.	H	α-helix	trans	-62.9	-49.5	173.8	179.1	176.5	-78.6	157.7	-7.2	111.7	R112 N113 K114 D118 H119 E120	R112-R116 PolarHBondContact O-N 2.8Å; N113-R116 PolarHBondContact O-N 3.09Å; K114-R116 VanDerWaalsContact C-N 3.29Å; K114-R116 PolarHBondContact O-N 3.07Å; R116-D118 PolarHBondContact O-N 2.87Å; R116-H119 PolarHBondContact O-N 2.89Å; R116-E120 PolarHBondContact O-N 2.86Å
117	A	84.3	Confident	73.6	Confident	43 Å²	43	103 Å²	103	36%	0.355	50%	0.502	S	S	.	.	H	α-helix	trans	-65.5	-36	-178.2	0	0	0	0	0	113.3	N113 K114 R121	N113-A117 WeakPolarHBondContact O-CB 3.43Å; N113-A117 PolarHBondContact O-N 3.19Å; K114-A117 PolarHBondContact O-N 3.13Å; K114-A117 VanDerWaalsContact O-N 3.14Å; A117-R121 WeakPolarHBondContact O-CB 3.27Å; A117-R121 PolarHBondContact O-N 2.67Å
118	D	78	Confident	74	Confident	79 Å²	79	104.1 Å²	104.1	42%	0.422	51%	0.507	S	S	.	.	H	α-helix	trans	-74.2	-34.2	174.5	-68.4	-25	0	0	0	111.4	K114 R116 R121 A122	K114-D118 WeakPolarHBondContact O-CB 3.41Å; K114-D118 PolarHBondContact O-N 3.3Å; R116-D118 PolarHBondContact O-N 2.87Å; D118-R121 PolarHBondContact O-N 2.94Å; D118-R121 IonicContact OD1-CZ 3.11Å; D118-R121 IonicContact OD1-NH1 2.71Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-R121 IonicContact OD1-NH2 2.73Å; D118-R121 PolarHBondContact OD1-NH2 2.68Å; D118-A122 WeakPolarHBondContact O-CB 3.37Å; D118-A122 PolarHBondContact O-N 3.31Å
119	H	77.9	Confident	74	Confident	124 Å²	124	105.8 Å²	105.8	57%	0.574	51%	0.512	S	S	*	.	H	α-helix	trans	-67.3	-41.9	172.6	-170.1	73.3	0	0	0	112.1	I115 R116 A122 L123	I115-H119 WeakPolarHBondContact O-CB 3.26Å; I115-H119 PolarHBondContact O-N 3.49Å; R116-H119 PolarHBondContact O-N 2.89Å; H119-A122 PolarHBondContact O-N 2.95Å; H119-L123 WeakPolarHBondContact O-CB 3.49Å; H119-L123 PolarHBondContact O-N 3.37Å
120	E	80.3	Confident	73.4	Confident	117 Å²	117	107.5 Å²	107.5	55%	0.547	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-43.1	172.5	-74.8	-178.1	127.7	0	0	111.5	R116 A122 L123 Q124	R116-E120 PolarHBondContact O-N 2.86Å; E120-A122 PolarHBondContact O-N 2.87Å; E120-L123 CarbonylContact O-C 3.56Å; E120-L123 WeakPolarHBondContact O-CB 3.26Å; E120-L123 PolarHBondContact O-N 3.29Å; E120-L123 VanDerWaalsContact O-N 3.15Å; E120-Q124 WeakPolarHBondContact O-CB 3.49Å; E120-Q124 PolarHBondContact O-N 3.49Å
121	R	80.4	Confident	72.7	Confident	134 Å²	134	114.7 Å²	114.7	51%	0.506	54%	0.542	S	S	.	.	H	α-helix	trans	-61.7	-43.2	175.7	-157.1	-179	-48.6	117.3	24.1	111.9	A117 D118 L123 Q124 E125	A117-R121 WeakPolarHBondContact O-CB 3.27Å; A117-R121 PolarHBondContact O-N 2.67Å; D118-R121 PolarHBondContact O-N 2.94Å; D118-R121 IonicContact OD1-CZ 3.11Å; D118-R121 IonicContact OD1-NH1 2.71Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-R121 IonicContact OD1-NH2 2.73Å; D118-R121 PolarHBondContact OD1-NH2 2.68Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-L123 PolarHBondContact O-N 3.48Å; R121-Q124 PolarHBondContact O-N 2.89Å; R121-Q124 VanDerWaalsContact O-N 3.16Å; R121-E125 PolarHBondContact O-N 3.37Å
122	A	72.3	Confident	72.2	Confident	55 Å²	55	113.8 Å²	113.8	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-63.7	-37.7	173.4	0	0	0	0	0	112.4	D118 H119 E120 Q124 A126	D118-A122 WeakPolarHBondContact O-CB 3.37Å; D118-A122 PolarHBondContact O-N 3.31Å; H119-A122 PolarHBondContact O-N 2.95Å; E120-A122 PolarHBondContact O-N 2.87Å; A122-Q124 VanDerWaalsContact C-N 3.28Å; A122-Q124 PolarHBondContact O-N 2.91Å; A122-A126 VanDerWaalsContact O-CB 3.22Å; A122-A126 WeakPolarHBondContact O-CB 3.36Å; A122-A126 PolarHBondContact O-N 2.71Å
123	L	72.7	Confident	71.9	Confident	82 Å²	82	108.5 Å²	108.5	43%	0.429	52%	0.521	S	S	.	.	H	α-helix	trans	-66.1	-32.3	173.8	-143.4	90.7	0	0	0	111.9	H119 E120 R121 K127	H119-L123 WeakPolarHBondContact O-CB 3.49Å; H119-L123 PolarHBondContact O-N 3.37Å; E120-L123 CarbonylContact O-C 3.56Å; E120-L123 WeakPolarHBondContact O-CB 3.26Å; E120-L123 PolarHBondContact O-N 3.29Å; E120-L123 VanDerWaalsContact O-N 3.15Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-L123 PolarHBondContact O-N 3.48Å; L123-K127 WeakPolarHBondContact O-CB 3.41Å; L123-K127 VanDerWaalsContact O-CG 3.25Å; L123-K127 WeakPolarHBondContact O-CG 3.24Å; L123-K127 PolarHBondContact O-N 2.83Å
124	Q	74.1	Confident	71.1	Confident	126 Å²	126	115 Å²	115	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-77.6	-43.9	-180	-159.9	156.3	-21.2	0	0	111.1	E120 R121 A122 A126 K127 E128	E120-Q124 WeakPolarHBondContact O-CB 3.49Å; E120-Q124 PolarHBondContact O-N 3.49Å; R121-Q124 PolarHBondContact O-N 2.89Å; R121-Q124 VanDerWaalsContact O-N 3.16Å; A122-Q124 VanDerWaalsContact C-N 3.28Å; A122-Q124 PolarHBondContact O-N 2.91Å; Q124-A126 VanDerWaalsContact C-N 3.33Å; Q124-A126 PolarHBondContact O-N 3.29Å; Q124-K127 WeakPolarHBondContact O-CB 3.29Å; Q124-K127 PolarHBondContact O-N 3.37Å; Q124-E128 WeakPolarHBondContact O-CG 3.42Å; Q124-E128 PolarHBondContact O-N 3.45Å
125	E	74.4	Confident	70.4	Confident	90 Å²	90	117.1 Å²	117.1	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-58.9	-41.3	167.2	-77.6	-172	-144.9	0	0	112.5	R121 K127 E128 K129	R121-E125 PolarHBondContact O-N 3.37Å; E125-K127 VanDerWaalsContact C-N 3.35Å; E125-E128 PolarHBondContact O-N 3.49Å; E125-K129 WeakPolarHBondContact O-CB 3.27Å; E125-K129 WeakPolarHBondContact O-CD 3.34Å; E125-K129 VanDerWaalsContact O-CG 3.29Å; E125-K129 WeakPolarHBondContact O-CG 3.03Å; E125-K129 PolarHBondContact O-N 3.05Å; E125-K129 IonicContact OE2-NZ 2.69Å; E125-K129 PolarHBondContact OE2-NZ 3.31Å
126	A	66.3	Low	70.1	Confident	45 Å²	45	116.8 Å²	116.8	37%	0.372	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-41.3	176.3	0	0	0	0	0	111.1	A122 Q124 K129 L130	A122-A126 VanDerWaalsContact O-CB 3.22Å; A122-A126 WeakPolarHBondContact O-CB 3.36Å; A122-A126 PolarHBondContact O-N 2.71Å; Q124-A126 VanDerWaalsContact C-N 3.33Å; Q124-A126 PolarHBondContact O-N 3.29Å; A126-K129 PolarHBondContact O-N 2.88Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 WeakPolarHBondContact O-CG 3.45Å; A126-L130 PolarHBondContact O-N 2.99Å
127	K	68.5	Low	69.7	Low	133 Å²	133	111.9 Å²	111.9	58%	0.578	53%	0.533	S	S	*	.	H	α-helix	trans	-62.4	-40.1	172.1	-79	169.9	-177.8	175.2	0	112.1	L123 Q124 E125 L130 R131	L123-K127 WeakPolarHBondContact O-CB 3.41Å; L123-K127 VanDerWaalsContact O-CG 3.25Å; L123-K127 WeakPolarHBondContact O-CG 3.24Å; L123-K127 PolarHBondContact O-N 2.83Å; Q124-K127 WeakPolarHBondContact O-CB 3.29Å; Q124-K127 PolarHBondContact O-N 3.37Å; E125-K127 VanDerWaalsContact C-N 3.35Å; K127-L130 CarbonylContact O-C 3.56Å; K127-L130 PolarHBondContact O-N 3.45Å; K127-R131 VanDerWaalsContact O-CB 3.31Å; K127-R131 WeakPolarHBondContact O-CB 3.43Å; K127-R131 PolarHBondContact O-N 3.48Å
128	E	66.9	Low	69.1	Low	126 Å²	126	116.3 Å²	116.3	59%	0.589	54%	0.544	S	S	*	.	H	α-helix	trans	-69.6	-40.5	176.5	-73.3	-176.5	158.6	0	0	112.6	Q124 E125 L130 R131 K132	Q124-E128 WeakPolarHBondContact O-CG 3.42Å; Q124-E128 PolarHBondContact O-N 3.45Å; E125-E128 PolarHBondContact O-N 3.49Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 3.16Å; E128-R131 CarbonylContact O-C 3.53Å; E128-R131 WeakPolarHBondContact O-CA 3.45Å; E128-R131 WeakPolarHBondContact O-CB 3.23Å; E128-R131 PolarHBondContact O-N 2.75Å; E128-K132 PolarHBondContact O-N 2.93Å
129	K	61.2	Low	69.1	Low	137 Å²	137	114.8 Å²	114.8	60%	0.596	54%	0.542	S	S	*	.	H	α-helix	trans	-61.7	-36.6	171.7	-72.7	159.9	-177.5	157.8	0	111.6	E125 A126 R131	E125-K129 WeakPolarHBondContact O-CB 3.27Å; E125-K129 WeakPolarHBondContact O-CD 3.34Å; E125-K129 VanDerWaalsContact O-CG 3.29Å; E125-K129 WeakPolarHBondContact O-CG 3.03Å; E125-K129 PolarHBondContact O-N 3.05Å; E125-K129 IonicContact OE2-NZ 2.69Å; E125-K129 PolarHBondContact OE2-NZ 3.31Å; A126-K129 PolarHBondContact O-N 2.88Å; K129-R131 VanDerWaalsContact C-N 3.31Å
130	L	57.7	Low	69.1	Low	151 Å²	151	113.3 Å²	113.3	79%	0.791	54%	0.536	S	S	*	.	H	α-helix	trans	-74	-15.6	169.4	-79.5	163	0	0	0	114.1	A126 K127 E128	A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 WeakPolarHBondContact O-CG 3.45Å; A126-L130 PolarHBondContact O-N 2.99Å; K127-L130 CarbonylContact O-C 3.56Å; K127-L130 PolarHBondContact O-N 3.45Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 3.16Å
131	R	59.1	Low	68.9	Low	214 Å²	214	111.9 Å²	111.9	81%	0.808	53%	0.531	S	S	*	.	H	α-helix	trans	-91.7	-7	178	-148.4	175.6	-168.9	-177.9	2.5	113.2	K127 E128 K129 S133	K127-R131 VanDerWaalsContact O-CB 3.31Å; K127-R131 WeakPolarHBondContact O-CB 3.43Å; K127-R131 PolarHBondContact O-N 3.48Å; E128-R131 CarbonylContact O-C 3.53Å; E128-R131 WeakPolarHBondContact O-CA 3.45Å; E128-R131 WeakPolarHBondContact O-CB 3.23Å; E128-R131 PolarHBondContact O-N 2.75Å; K129-R131 VanDerWaalsContact C-N 3.31Å; R131-S133 PolarHBondContact O-N 3.17Å
132	K	59.1	Low	68.8	Low	88 Å²	88	112.3 Å²	112.3	38%	0.383	54%	0.538	S	S	.	.	S	Bend	trans	-47.3	123.9	162.6	-88.8	-174	160	-172.8	0	108.7	E128 V137 E140	E128-K132 PolarHBondContact O-N 2.93Å; K132-V137 HydrophobicContact CB-CG2 4.05Å; K132-E140 IonicContact NZ-OE1 2.78Å; K132-E140 PolarHBondContact NZ-OE1 3.05Å; K132-E140 IonicContact NZ-OE2 2.7Å; K132-E140 PolarHBondContact NZ-OE2 2.91Å
133	S	64.4	Low	69.3	Low	48 Å²	48	114.1 Å²	114.1	34%	0.336	54%	0.544	S	S	.	.			trans	-66.2	155	-174.6	71.1	0	0	0	0	111.2	R131 K135 E136 V137	R131-S133 PolarHBondContact O-N 3.17Å; S133-K135 PolarHBondContact O-N 3.09Å; S133-K135 PolarHBondContact OG-N 3.26Å; S133-E136 WeakPolarHBondContact CA-OE2 3.27Å; S133-E136 WeakPolarHBondContact CB-OE2 3.19Å; S133-E136 PolarHBondContact N-OE2 3.36Å; S133-E136 PolarHBondContact O-N 3Å; S133-E136 PolarHBondContact OG-N 3.49Å; S133-E136 PolarHBondContact OG-OE2 3.48Å; S133-V137 PolarHBondContact O-N 3.46Å; S133-V137 VanDerWaalsContact O-N 3.15Å
134	R	61.7	Low	69.6	Low	221 Å²	221	116.2 Å²	116.2	83%	0.834	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-6	171.8	-155.9	179.2	-174.2	-166.4	4	113.3	K138	R134-K138 WeakPolarHBondContact O-CB 3.32Å; R134-K138 WeakPolarHBondContact O-CG 3.47Å
135	K	64.3	Low	69.7	Low	175 Å²	175	116.5 Å²	116.5	76%	0.761	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-47	168.7	-70.4	-176.8	175.8	-178.2	0	111.6	S133 K138 A139	S133-K135 PolarHBondContact O-N 3.09Å; S133-K135 PolarHBondContact OG-N 3.26Å; K135-K138 CarbonylContact O-C 3.58Å; K135-K138 WeakPolarHBondContact O-CB 3.19Å; K135-K138 PolarHBondContact O-N 3.21Å; K135-A139 PolarHBondContact O-N 3.05Å
136	E	70.9	Confident	69.9	Low	100 Å²	100	114.8 Å²	114.8	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-64.2	-46.6	179.9	-71.8	152.2	120.3	0	0	111.8	S133 K138 A139 E140	S133-E136 WeakPolarHBondContact CA-OE2 3.27Å; S133-E136 WeakPolarHBondContact CB-OE2 3.19Å; S133-E136 PolarHBondContact N-OE2 3.36Å; S133-E136 PolarHBondContact O-N 3Å; S133-E136 PolarHBondContact OG-N 3.49Å; S133-E136 PolarHBondContact OG-OE2 3.48Å; E136-K138 PolarHBondContact O-N 3Å; E136-A139 WeakPolarHBondContact O-CA 3.5Å; E136-A139 WeakPolarHBondContact O-CB 3.33Å; E136-A139 PolarHBondContact O-N 3.16Å; E136-E140 PolarHBondContact O-N 3.24Å
137	V	69.9	Low	70.4	Confident	62 Å²	62	119 Å²	119	38%	0.376	56%	0.562	S	S	.	*	H	α-helix	trans	-62.4	-33.5	175.9	-178.1	0	0	0	0	111.4	K132 S133 I141	K132-V137 HydrophobicContact CB-CG2 4.05Å; S133-V137 PolarHBondContact O-N 3.46Å; S133-V137 VanDerWaalsContact O-N 3.15Å; V137-I141 HydrophobicContact CG1-CD1 3.98Å; V137-I141 WeakPolarHBondContact O-CB 3.25Å; V137-I141 WeakPolarHBondContact O-CD1 3.44Å; V137-I141 WeakPolarHBondContact O-CG1 3.42Å; V137-I141 PolarHBondContact O-N 3.48Å; V137-I141 VanDerWaalsContact O-N 3.07Å
138	K	70.9	Confident	70.5	Confident	136 Å²	136	117.2 Å²	117.2	59%	0.591	56%	0.558	S	S	*	*	H	α-helix	trans	-69.9	-36.3	172	-88.5	-171	171.3	-167.9	0	112.8	R134 K135 E136 Q142	R134-K138 WeakPolarHBondContact O-CB 3.32Å; R134-K138 WeakPolarHBondContact O-CG 3.47Å; K135-K138 CarbonylContact O-C 3.58Å; K135-K138 WeakPolarHBondContact O-CB 3.19Å; K135-K138 PolarHBondContact O-N 3.21Å; E136-K138 PolarHBondContact O-N 3Å; K138-Q142 WeakPolarHBondContact O-CB 3.43Å; K138-Q142 WeakPolarHBondContact O-CG 3.46Å; K138-Q142 PolarHBondContact O-N 3.39Å
139	A	78.8	Confident	70.9	Confident	47 Å²	47	115.7 Å²	115.7	39%	0.388	55%	0.553	S	S	.	*	H	α-helix	trans	-66.7	-47.3	176.4	0	0	0	0	0	110.5	K135 E136 I141 Q142 T143	K135-A139 PolarHBondContact O-N 3.05Å; E136-A139 WeakPolarHBondContact O-CA 3.5Å; E136-A139 WeakPolarHBondContact O-CB 3.33Å; E136-A139 PolarHBondContact O-N 3.16Å; A139-I141 PolarHBondContact O-N 3.25Å; A139-Q142 CarbonylContact O-C 3.6Å; A139-Q142 WeakPolarHBondContact O-CA 3.41Å; A139-Q142 PolarHBondContact O-N 3.26Å; A139-T143 PolarHBondContact O-N 3.13Å; A139-T143 PolarHBondContact O-OG1 3.11Å; A139-T143 VanDerWaalsContact O-OG1 3.1Å
140	E	77.5	Confident	71.3	Confident	93 Å²	93	114.3 Å²	114.3	44%	0.435	55%	0.548	S	S	.	.	H	α-helix	trans	-57.8	-48.2	175.1	-68.8	178.2	144.8	0	0	111.1	K132 E136 Q142 T143 E144	K132-E140 IonicContact NZ-OE1 2.78Å; K132-E140 PolarHBondContact NZ-OE1 3.05Å; K132-E140 IonicContact NZ-OE2 2.7Å; K132-E140 PolarHBondContact NZ-OE2 2.91Å; E136-E140 PolarHBondContact O-N 3.24Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 2.68Å; E140-T143 PolarHBondContact O-N 3.33Å; E140-E144 WeakPolarHBondContact O-CB 3.5Å; E140-E144 PolarHBondContact O-N 3.32Å
141	I	76.4	Confident	71.6	Confident	87 Å²	87	110.7 Å²	110.7	45%	0.446	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-33.6	174.6	-68.9	167.9	0	0	0	112.3	V137 A139 K145	V137-I141 HydrophobicContact CG1-CD1 3.98Å; V137-I141 WeakPolarHBondContact O-CB 3.25Å; V137-I141 WeakPolarHBondContact O-CD1 3.44Å; V137-I141 WeakPolarHBondContact O-CG1 3.42Å; V137-I141 PolarHBondContact O-N 3.48Å; V137-I141 VanDerWaalsContact O-N 3.07Å; A139-I141 PolarHBondContact O-N 3.25Å; I141-K145 HydrophobicContact CG2-CD 4.24Å; I141-K145 VanDerWaalsContact O-CB 3.27Å; I141-K145 WeakPolarHBondContact O-CB 3.28Å; I141-K145 VanDerWaalsContact O-CG 3.26Å; I141-K145 WeakPolarHBondContact O-CG 3.36Å; I141-K145 PolarHBondContact O-N 3.29Å
142	Q	78.3	Confident	71.6	Confident	142 Å²	142	104.9 Å²	104.9	66%	0.664	51%	0.514	S	S	*	.	H	α-helix	trans	-72.6	-40.6	174.4	-82.9	-169.6	-60.7	0	0	112.5	K138 A139 E140 E144 K145 A146	K138-Q142 WeakPolarHBondContact O-CB 3.43Å; K138-Q142 WeakPolarHBondContact O-CG 3.46Å; K138-Q142 PolarHBondContact O-N 3.39Å; A139-Q142 CarbonylContact O-C 3.6Å; A139-Q142 WeakPolarHBondContact O-CA 3.41Å; A139-Q142 PolarHBondContact O-N 3.26Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 2.68Å; Q142-E144 VanDerWaalsContact C-N 3.34Å; Q142-K145 PolarHBondContact O-N 3.28Å; Q142-A146 VanDerWaalsContact O-CB 3.26Å; Q142-A146 WeakPolarHBondContact O-CB 3.37Å; Q142-A146 PolarHBondContact O-N 2.89Å
143	T	82.7	Confident	71.6	Confident	93 Å²	93	107 Å²	107	57%	0.571	52%	0.523	S	S	*	.	H	α-helix	trans	-63.2	-41.7	174.8	-58.8	0	0	0	0	111.1	A139 E140 A146 K147	A139-T143 PolarHBondContact O-N 3.13Å; A139-T143 PolarHBondContact O-OG1 3.11Å; A139-T143 VanDerWaalsContact O-OG1 3.1Å; E140-T143 PolarHBondContact O-N 3.33Å; T143-A146 PolarHBondContact O-N 3.06Å; T143-K147 PolarHBondContact O-N 2.99Å
144	E	77.9	Confident	71.2	Confident	126 Å²	126	109.9 Å²	109.9	59%	0.589	53%	0.53	S	S	*	.	H	α-helix	trans	-71.7	-39.8	179.1	-161.8	140.4	-116.3	0	0	111.8	E140 Q142 A146 K147 I148	E140-E144 WeakPolarHBondContact O-CB 3.5Å; E140-E144 PolarHBondContact O-N 3.32Å; Q142-E144 VanDerWaalsContact C-N 3.34Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 2.86Å; E144-K147 WeakPolarHBondContact O-CB 3.43Å; E144-K147 PolarHBondContact O-N 3.43Å; E144-I148 HydrophobicContact CG-CD1 4.49Å; E144-I148 VanDerWaalsContact O-CG1 3.29Å; E144-I148 WeakPolarHBondContact O-CG1 3.46Å; E144-I148 PolarHBondContact O-N 2.94Å
145	K	77.7	Confident	70.8	Confident	132 Å²	132	107.6 Å²	107.6	57%	0.574	53%	0.526	S	S	*	.	H	α-helix	trans	-63.3	-36.8	168.5	-77.8	-177.2	176.6	-168.6	0	112.8	I141 Q142 I148 I149	I141-K145 HydrophobicContact CG2-CD 4.24Å; I141-K145 VanDerWaalsContact O-CB 3.27Å; I141-K145 WeakPolarHBondContact O-CB 3.28Å; I141-K145 VanDerWaalsContact O-CG 3.26Å; I141-K145 WeakPolarHBondContact O-CG 3.36Å; I141-K145 PolarHBondContact O-N 3.29Å; Q142-K145 PolarHBondContact O-N 3.28Å; K145-I148 PolarHBondContact O-N 3.11Å; K145-I149 WeakPolarHBondContact O-CB 3.38Å; K145-I149 WeakPolarHBondContact O-CD1 3.42Å; K145-I149 VanDerWaalsContact O-CG1 3.23Å; K145-I149 WeakPolarHBondContact O-CG1 3.4Å; K145-I149 PolarHBondContact O-N 3.1Å
146	A	77.9	Confident	70	Confident	55 Å²	55	106.7 Å²	106.7	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-44.6	176	0	0	0	0	0	111.1	Q142 T143 E144 I149 E150	Q142-A146 VanDerWaalsContact O-CB 3.26Å; Q142-A146 WeakPolarHBondContact O-CB 3.37Å; Q142-A146 PolarHBondContact O-N 2.89Å; T143-A146 PolarHBondContact O-N 3.06Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 2.86Å; A146-I149 PolarHBondContact O-N 3.22Å; A146-E150 WeakPolarHBondContact O-CB 3.41Å; A146-E150 PolarHBondContact O-N 2.99Å
147	K	76.1	Confident	69	Low	134 Å²	134	105.9 Å²	105.9	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-54.8	-52.1	169.6	-95.4	-174.4	171.2	-176.9	0	112.1	T143 E144 I149 E150 D151	T143-K147 PolarHBondContact O-N 2.99Å; E144-K147 WeakPolarHBondContact O-CB 3.43Å; E144-K147 PolarHBondContact O-N 3.43Å; K147-I149 VanDerWaalsContact C-N 3.28Å; K147-I149 PolarHBondContact O-N 2.9Å; K147-E150 WeakPolarHBondContact O-CB 3.22Å; K147-E150 PolarHBondContact O-N 3.42Å; K147-D151 PolarHBondContact O-N 3.32Å
148	I	72	Confident	68	Low	95 Å²	95	104.5 Å²	104.5	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-59.5	-39.5	180	-68.5	163.1	0	0	0	111.2	E144 K145 D151 L152	E144-I148 HydrophobicContact CG-CD1 4.49Å; E144-I148 VanDerWaalsContact O-CG1 3.29Å; E144-I148 WeakPolarHBondContact O-CG1 3.46Å; E144-I148 PolarHBondContact O-N 2.94Å; K145-I148 PolarHBondContact O-N 3.11Å; I148-D151 PolarHBondContact O-N 3.46Å; I148-L152 HydrophobicContact CG2-CD1 3.98Å; I148-L152 HydrophobicContact CG2-CG 4.48Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 WeakPolarHBondContact O-CD1 3.36Å; I148-L152 WeakPolarHBondContact O-CG 3.46Å; I148-L152 PolarHBondContact O-N 2.95Å
149	I	74.4	Confident	67.3	Low	93 Å²	93	103.5 Å²	103.5	48%	0.477	54%	0.541	S	S	.	.	H	α-helix	trans	-68.5	-36.9	175.3	-70.3	164.1	0	0	0	111.7	K145 A146 K147 K153	K145-I149 WeakPolarHBondContact O-CB 3.38Å; K145-I149 WeakPolarHBondContact O-CD1 3.42Å; K145-I149 VanDerWaalsContact O-CG1 3.23Å; K145-I149 WeakPolarHBondContact O-CG1 3.4Å; K145-I149 PolarHBondContact O-N 3.1Å; A146-I149 PolarHBondContact O-N 3.22Å; K147-I149 VanDerWaalsContact C-N 3.28Å; K147-I149 PolarHBondContact O-N 2.9Å; I149-K153 HydrophobicContact CG2-CD 4.46Å; I149-K153 WeakPolarHBondContact O-CB 3.22Å; I149-K153 VanDerWaalsContact O-CG 3.32Å; I149-K153 WeakPolarHBondContact O-CG 3.37Å; I149-K153 PolarHBondContact O-N 3.31Å
150	E	69.9	Low	66.4	Low	108 Å²	108	110.1 Å²	110.1	51%	0.505	56%	0.561	S	S	.	*	H	α-helix	trans	-67.1	-41.4	175.1	-158.6	-164.9	119.5	0	0	111.6	A146 K147 K153 K154	A146-E150 WeakPolarHBondContact O-CB 3.41Å; A146-E150 PolarHBondContact O-N 2.99Å; K147-E150 WeakPolarHBondContact O-CB 3.22Å; K147-E150 PolarHBondContact O-N 3.42Å; E150-K153 PolarHBondContact O-N 3.03Å; E150-K154 WeakPolarHBondContact O-CG 3.33Å; E150-K154 PolarHBondContact O-N 3.36Å; E150-K154 WeakPolarHBondContact OE1-CE 3.47Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 2.66Å
151	D	63.4	Low	65.7	Low	75 Å²	75	111.7 Å²	111.7	40%	0.401	58%	0.579	S	S	.	*	H	α-helix	trans	-74.7	-30	178.9	-65.1	-25.2	0	0	0	112.5	K147 I148 K154 K155	K147-D151 PolarHBondContact O-N 3.32Å; I148-D151 PolarHBondContact O-N 3.46Å; D151-K154 PolarHBondContact O-N 2.91Å; D151-K154 IonicContact OD1-NZ 2.87Å; D151-K154 PolarHBondContact OD1-NZ 3.15Å; D151-K155 PolarHBondContact O-N 3.06Å; D151-K155 VanDerWaalsContact O-N 3.16Å
152	L	60	Low	65.5	Low	92 Å²	92	110 Å²	110	48%	0.482	57%	0.571	S	S	.	*	H	α-helix	trans	-64.5	-45.9	165.8	-75.9	167.3	0	0	0	111	I148 K154 K155 E156	I148-L152 HydrophobicContact CG2-CD1 3.98Å; I148-L152 HydrophobicContact CG2-CG 4.48Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 WeakPolarHBondContact O-CD1 3.36Å; I148-L152 WeakPolarHBondContact O-CG 3.46Å; I148-L152 PolarHBondContact O-N 2.95Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.29Å; L152-K155 WeakPolarHBondContact O-CA 3.36Å; L152-K155 WeakPolarHBondContact O-CB 3.46Å; L152-K155 PolarHBondContact O-N 3.19Å; L152-E156 PolarHBondContact O-N 3.35Å
153	K	58.6	Low	65.2	Low	132 Å²	132	105.8 Å²	105.8	57%	0.574	56%	0.555	S	S	*	*	H	α-helix	trans	-62.1	-34.2	174.9	-76.4	177.2	177.5	-172.5	0	113.1	I149 E150 K155 E156 A157	I149-K153 HydrophobicContact CG2-CD 4.46Å; I149-K153 WeakPolarHBondContact O-CB 3.22Å; I149-K153 VanDerWaalsContact O-CG 3.32Å; I149-K153 WeakPolarHBondContact O-CG 3.37Å; I149-K153 PolarHBondContact O-N 3.31Å; E150-K153 PolarHBondContact O-N 3.03Å; K153-K155 VanDerWaalsContact C-N 3.31Å; K153-E156 PolarHBondContact O-N 3.37Å; K153-A157 WeakPolarHBondContact O-CB 3.44Å; K153-A157 PolarHBondContact O-N 3.11Å
154	K	56	Low	64.4	Low	110 Å²	110	107.6 Å²	107.6	48%	0.478	57%	0.569	S	S	.	*	H	α-helix	trans	-64.8	-33	171.7	-71	166.9	-159	155.8	0	112.3	E150 D151 L152	E150-K154 WeakPolarHBondContact O-CG 3.33Å; E150-K154 PolarHBondContact O-N 3.36Å; E150-K154 WeakPolarHBondContact OE1-CE 3.47Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 2.66Å; D151-K154 PolarHBondContact O-N 2.91Å; D151-K154 IonicContact OD1-NZ 2.87Å; D151-K154 PolarHBondContact OD1-NZ 3.15Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.29Å
155	K	52.3	Low	64	Low	172 Å²	172	103 Å²	103	75%	0.748	55%	0.549	S	S	*	.	H	α-helix	trans	-73.9	-39.8	172.5	-72.2	-178.3	175.8	-177.8	0	112.7	D151 L152 K153 A157 G158	D151-K155 PolarHBondContact O-N 3.06Å; D151-K155 VanDerWaalsContact O-N 3.16Å; L152-K155 WeakPolarHBondContact O-CA 3.36Å; L152-K155 WeakPolarHBondContact O-CB 3.46Å; L152-K155 PolarHBondContact O-N 3.19Å; K153-K155 VanDerWaalsContact C-N 3.31Å; K155-A157 VanDerWaalsContact C-N 3.32Å; K155-A157 PolarHBondContact O-N 3.12Å; K155-G158 PolarHBondContact O-N 2.92Å
156	E	47.4	Very low	63.6	Low	157 Å²	157	100.8 Å²	100.8	73%	0.734	55%	0.549	S	S	*	.	H	α-helix	trans	-67.9	-29.5	177.8	-70.2	177	150.4	0	0	113	L152 K153 G158	L152-E156 PolarHBondContact O-N 3.35Å; K153-E156 PolarHBondContact O-N 3.37Å; E156-G158 PolarHBondContact O-N 3.04Å
157	A	49.8	Very low	63.5	Low	83 Å²	83	101.7 Å²	101.7	69%	0.686	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.9	178.9	0	0	0	0	0	114.8	K153 K155	K153-A157 WeakPolarHBondContact O-CB 3.44Å; K153-A157 PolarHBondContact O-N 3.11Å; K155-A157 VanDerWaalsContact C-N 3.32Å; K155-A157 PolarHBondContact O-N 3.12Å
158	G	49.9	Very low	63.5	Low	32 Å²	32	96.1 Å²	96.1	33%	0.33	52%	0.522	S	S	.	.			trans	72.1	169.7	-169.8	0	0	0	0	0	113.3	K155 E156 K160	K155-G158 PolarHBondContact O-N 2.92Å; E156-G158 PolarHBondContact O-N 3.04Å; G158-K160 PolarHBondContact O-N 3.15Å
159	P	56.8	Low	63.4	Low	116 Å²	116	100.4 Å²	100.4	75%	0.753	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-63.1	125.7	172.2	27.4	-32.8	0	0	0	109.1
160	K	58.9	Low	63.4	Low	186 Å²	186	98.6 Å²	98.6	81%	0.809	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-59	139.4	172	-69.5	-176.1	177.6	-179.1	0	109	G158 L162	G158-K160 PolarHBondContact O-N 3.15Å; K160-L162 PolarHBondContact O-N 3.31Å
161	P	63.2	Low	64	Low	126 Å²	126	96.3 Å²	96.3	82%	0.818	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-51.6	128.2	169.9	-26.2	34.8	0	0	0	110.1
162	L	73.2	Confident	64.8	Low	51 Å²	51	93.6 Å²	93.6	27%	0.267	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-62.7	147.3	173.4	-67.4	176.4	0	0	0	109.1	K160 K294 V295 V298 T356	K160-L162 PolarHBondContact O-N 3.31Å; L162-K294 HydrophobicContact CD1-CD 4.29Å; L162-K294 HydrophobicContact CD1-CG 3.81Å; L162-V295 HydrophobicContact CD1-CG2 4.38Å; L162-V298 HydrophobicContact CD1-CG2 4.07Å; L162-V298 HydrophobicContact CD2-CG1 4.49Å; L162-T356 HydrophobicContact CD2-CG2 4.08Å
163	P	71.3	Confident	65.7	Low	53 Å²	53	90.6 Å²	90.6	34%	0.344	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-60	146	-178.8	24.6	-33.2	0	0	0	111	V165 T356	P163-V165 VanDerWaalsContact C-N 3.35Å; P163-V165 HydrophobicContact CB-CG2 4.4Å; P163-V165 HydrophobicContact CG-CG2 4.09Å; P163-V165 PolarHBondContact O-N 3.44Å; P163-T356 WeakPolarHBondContact CG-O 3.34Å
164	P	66.1	Low	66.3	Low	131 Å²	131	87.9 Å²	87.9	85%	0.851	50%	0.496	S	S	*	.			trans	-70.6	94.6	168.3	29.7	-32.7	0	0	0	108.6
165	V	68.3	Low	67	Low	30 Å²	30	89.1 Å²	89.1	18%	0.182	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-89.2	134.6	172.4	-176.4	0	0	0	0	107.6	P163 M167 Y354	P163-V165 VanDerWaalsContact C-N 3.35Å; P163-V165 HydrophobicContact CB-CG2 4.4Å; P163-V165 HydrophobicContact CG-CG2 4.09Å; P163-V165 PolarHBondContact O-N 3.44Å; V165-M167 PolarHBondContact O-N 2.67Å; V165-Y354 HydrophobicContact CG1-CD1 3.99Å; V165-Y354 HydrophobicContact CG1-CE1 3.55Å; V165-Y354 HydrophobicContact CG1-CE2 4.21Å; V165-Y354 HydrophobicContact CG1-CG 4.49Å; V165-Y354 WeakPolarHBondContact CG2-O 3.07Å
166	P	70.1	Confident	68.3	Low	86 Å²	86	81 Å²	81	56%	0.558	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-56.6	128.6	172.8	-22.9	33.6	0	0	0	109.9	Y354	P166-Y354 PolarHBondContact O-OH 2.67Å
167	M	74.9	Confident	70.2	Confident	73 Å²	73	78.5 Å²	78.5	36%	0.36	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-63	133.9	169.5	-71.1	-65	-86.7	0	0	108.6	V165 Y285 Y286	V165-M167 PolarHBondContact O-N 2.67Å; M167-Y285 HydrophobicContact CE-CD1 4.08Å; M167-Y285 HydrophobicContact CE-CE1 3.71Å; M167-Y285 HydrophobicContact CE-CE2 4.48Å; M167-Y285 HydrophobicContact SD-CD1 4.3Å; M167-Y285 HydrophobicContact SD-CE1 3.38Å; M167-Y285 WeakPolarHBondContact SD-CE1 3.38Å; M167-Y285 VanDerWaalsContact SD-CZ 3.53Å; M167-Y285 PolarHBondContact SD-OH 2.89Å; M167-Y286 HydrophobicContact CE-CD1 3.9Å; M167-Y286 HydrophobicContact SD-CD1 4.39Å
168	P	77.3	Confident	72.1	Confident	18 Å²	18	74.8 Å²	74.8	12%	0.117	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-51.7	147.8	168	-27	36.7	0	0	0	110.2	V170 Y286 Y354 P631 L633	P168-V170 VanDerWaalsContact C-N 3.27Å; P168-V170 PolarHBondContact O-N 3.16Å; P168-Y286 HydrophobicContact CG-CE1 4.13Å; P168-Y354 HydrophobicContact CG-CE1 4.05Å; P168-P631 HydrophobicContact CB-CB 3.92Å; P168-P631 HydrophobicContact CB-CG 4.05Å; P168-P631 HydrophobicContact CG-CB 4.25Å; P168-P631 HydrophobicContact CG-CG 3.82Å; P168-L633 HydrophobicContact CG-CD2 4.24Å
169	K	70.8	Confident	73.8	Confident	184 Å²	184	78.8 Å²	78.8	80%	0.8	45%	0.451	S	S	*	.			trans	-71.8	88.5	179.6	-171.4	-159.5	171.8	-165.6	0	109.4	V171	K169-V171 HydrophobicContact CD-CG2 4.34Å; K169-V171 HydrophobicContact CG-CG2 4.44Å; K169-V171 PolarHBondContact O-N 3.39Å
170	V	73.8	Confident	75.5	Confident	55 Å²	55	77.5 Å²	77.5	33%	0.333	43%	0.434	S	S	.	.			trans	-59.2	128.1	174.3	161.3	0	0	0	0	110.5	P168 V173 W621	P168-V170 VanDerWaalsContact C-N 3.27Å; P168-V170 PolarHBondContact O-N 3.16Å; V170-V173 HydrophobicContact CG1-CB 4.24Å; V170-V173 HydrophobicContact CG1-CG2 3.33Å; V170-W621 HydrophobicContact CB-CZ2 4.43Å; V170-W621 HydrophobicContact CG1-CZ2 3.94Å; V170-W621 HydrophobicContact CG2-CH2 4Å; V170-W621 HydrophobicContact CG2-CZ2 4.02Å
171	V	81.3	Confident	77.1	Confident	60 Å²	60	72.5 Å²	72.5	36%	0.364	43%	0.428	S	S	.	.			trans	-135.3	148.5	179.1	177.7	0	0	0	0	108.2	K169 W621	K169-V171 HydrophobicContact CD-CG2 4.34Å; K169-V171 HydrophobicContact CG-CG2 4.44Å; K169-V171 PolarHBondContact O-N 3.39Å; V171-W621 PolarHBondContact O-NE1 2.95Å
172	G	81.2	Confident	78.7	Confident	18 Å²	18	71 Å²	71	19%	0.186	41%	0.413	C	S	.	.	S	Bend	trans	70.4	45.7	173.1	0	0	0	0	0	114.3	D614 M616	G172-D614 WeakPolarHBondContact CA-O 3.36Å; G172-M616 PolarHBondContact O-N 3.3Å
173	V	79.7	Confident	79.7	Confident	29 Å²	29	68.6 Å²	68.6	18%	0.176	40%	0.4	C	S	.	.			trans	-110.8	-17.8	179.3	177.3	0	0	0	0	112.7	V170 Y241 L287 M616 W621	V170-V173 HydrophobicContact CG1-CB 4.24Å; V170-V173 HydrophobicContact CG1-CG2 3.33Å; V173-Y241 HydrophobicContact CG1-CD1 4.14Å; V173-Y241 HydrophobicContact CG1-CE1 3.7Å; V173-L287 HydrophobicContact CG1-CD2 3.85Å; V173-L287 HydrophobicContact CG2-CD2 3.85Å; V173-M616 HydrophobicContact CB-CE 4.45Å; V173-M616 HydrophobicContact CG1-CE 4.41Å; V173-M616 HydrophobicContact CG2-CE 3.98Å; V173-M616 HydrophobicContact CG2-SD 4.45Å; V173-W621 HydrophobicContact CG2-CZ2 3.64Å
174	S	70.8	Confident	80.9	Confident	76 Å²	76	69.5 Å²	69.5	53%	0.531	40%	0.399	S	S	.	.	S	Bend	trans	-112.7	167.8	171.6	66.9	0	0	0	0	111.4	G176	S174-G176 PolarHBondContact O-N 2.72Å; S174-G176 VanDerWaalsContact O-N 3.09Å
175	D	69.7	Low	82.4	Confident	135 Å²	135	70.4 Å²	70.4	72%	0.722	39%	0.392	S	S	*	.			trans	63.4	14.9	154.7	-48.4	-47.2	0	0	0	120.4	E177	D175-E177 PolarHBondContact O-N 3.07Å
176	G	80.1	Confident	83.9	Confident	1 Å²	1	70 Å²	70	1%	0.01	39%	0.388	C	S	.	.			trans	-67.8	33.4	174.9	0	0	0	0	0	117.1	S174 R187 S612	S174-G176 PolarHBondContact O-N 2.72Å; S174-G176 VanDerWaalsContact O-N 3.09Å; G176-R187 PolarHBondContact O-NH1 3.34Å; G176-S612 PolarHBondContact O-N 3.27Å
177	E	88.1	Confident	85.2	Confident	105 Å²	105	66.8 Å²	66.8	49%	0.491	36%	0.364	S	S	.	.			trans	-61.4	121.7	177.2	-169.6	166.6	120.2	0	0	110.9	D175 K184	D175-E177 PolarHBondContact O-N 3.07Å; E177-K184 VanDerWaalsContact CD-CE 3.48Å; E177-K184 HydrophobicContact CG-CD 4.15Å; E177-K184 WeakPolarHBondContact OE1-CE 3.3Å; E177-K184 IonicContact OE1-NZ 2.73Å; E177-K184 PolarHBondContact OE1-NZ 3.29Å; E177-K184 VanDerWaalsContact OE2-CE 3.25Å; E177-K184 WeakPolarHBondContact OE2-CE 3.38Å; E177-K184 IonicContact OE2-NZ 2.69Å; E177-K184 PolarHBondContact OE2-NZ 2.95Å
178	P	89.9	Confident	86.3	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.032	36%	0.363	C	S	.	.			trans	-68.8	144.7	179.9	32.2	-38.3	0	0	0	110.3	E180 A183 K184 F610	P178-E180 PolarHBondContact O-N 2.92Å; P178-A183 HydrophobicContact CB-CB 3.73Å; P178-A183 HydrophobicContact CG-CB 3.72Å; P178-K184 HydrophobicContact CG-CB 4.12Å; P178-F610 WeakPolarHBondContact CG-O 3.28Å
179	P	84.5	Confident	87.3	Confident	117 Å²	117	67.9 Å²	67.9	76%	0.76	37%	0.368	S	S	*	.	S	Bend	trans	-71.3	-18.3	176.6	29.9	-34	0	0	0	112.5
180	E	92.1	Very high	88.7	Confident	88 Å²	88	59.1 Å²	59.1	41%	0.411	33%	0.33	S	S	.	.	S	Bend	trans	-83	122.6	175.7	-51	85.3	-154.8	0	0	112	P178 D182 A183 K184 R557	P178-E180 PolarHBondContact O-N 2.92Å; E180-D182 VanDerWaalsContact C-N 3.27Å; E180-D182 PolarHBondContact O-N 3.08Å; E180-A183 HydrophobicContact CB-CB 4.02Å; E180-A183 PolarHBondContact O-N 3.34Å; E180-A183 VanDerWaalsContact O-N 3.09Å; E180-K184 PolarHBondContact O-N 3.28Å; E180-R557 IonicContact OE2-CZ 2.72Å; E180-R557 IonicContact OE2-NH1 3.24Å; E180-R557 PolarHBondContact OE2-NH1 3.2Å
181	A	93.6	Very high	89.9	Confident	81 Å²	81	59.7 Å²	59.7	67%	0.669	33%	0.326	S	S	*	.	H	α-helix	trans	-59.1	-34.3	177.5	0	0	0	0	0	113.7	K184 E185	A181-K184 PolarHBondContact O-N 3.44Å; A181-E185 PolarHBondContact O-N 2.88Å
182	D	95.3	Very high	90.7	Very high	94 Å²	94	60.5 Å²	60.5	50%	0.503	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-44.3	173.8	166.2	90	0	0	0	111.9	E180 K184 E185 K186	E180-D182 VanDerWaalsContact C-N 3.27Å; E180-D182 PolarHBondContact O-N 3.08Å; D182-K184 VanDerWaalsContact C-N 3.31Å; D182-K184 PolarHBondContact O-N 3.26Å; D182-E185 PolarHBondContact O-N 3.19Å; D182-K186 WeakPolarHBondContact O-CB 3.38Å; D182-K186 VanDerWaalsContact O-CG 3.22Å; D182-K186 WeakPolarHBondContact O-CG 3.39Å; D182-K186 PolarHBondContact O-N 2.92Å; D182-K186 WeakPolarHBondContact OD1-CE 3.22Å; D182-K186 IonicContact OD1-NZ 3.38Å; D182-K186 PolarHBondContact OD1-NZ 3.24Å; D182-K186 WeakPolarHBondContact OD2-CE 3.37Å; D182-K186 IonicContact OD2-NZ 3.3Å; D182-K186 PolarHBondContact OD2-NZ 2.88Å
183	A	95.9	Very high	91.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-38.1	175	0	0	0	0	0	111	P178 E180 K186 R187	P178-A183 HydrophobicContact CB-CB 3.73Å; P178-A183 HydrophobicContact CG-CB 3.72Å; E180-A183 HydrophobicContact CB-CB 4.02Å; E180-A183 PolarHBondContact O-N 3.34Å; E180-A183 VanDerWaalsContact O-N 3.09Å; A183-K186 PolarHBondContact O-N 3.21Å; A183-R187 VanDerWaalsContact O-CB 3.28Å; A183-R187 WeakPolarHBondContact O-CB 3.33Å; A183-R187 PolarHBondContact O-N 2.91Å
184	K	96.4	Very high	92.4	Very high	73 Å²	73	58.3 Å²	58.3	32%	0.317	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-49.3	174.5	-174.8	173.1	-175.4	166.9	0	112.3	E177 P178 E180 A181 D182 K186 R187 D188	E177-K184 VanDerWaalsContact CD-CE 3.48Å; E177-K184 HydrophobicContact CG-CD 4.15Å; E177-K184 WeakPolarHBondContact OE1-CE 3.3Å; E177-K184 IonicContact OE1-NZ 2.73Å; E177-K184 PolarHBondContact OE1-NZ 3.29Å; E177-K184 VanDerWaalsContact OE2-CE 3.25Å; E177-K184 WeakPolarHBondContact OE2-CE 3.38Å; E177-K184 IonicContact OE2-NZ 2.69Å; E177-K184 PolarHBondContact OE2-NZ 2.95Å; P178-K184 HydrophobicContact CG-CB 4.12Å; E180-K184 PolarHBondContact O-N 3.28Å; A181-K184 PolarHBondContact O-N 3.44Å; D182-K184 VanDerWaalsContact C-N 3.31Å; D182-K184 PolarHBondContact O-N 3.26Å; K184-K186 VanDerWaalsContact C-N 3.32Å; K184-K186 PolarHBondContact O-N 3.48Å; K184-R187 PolarHBondContact O-N 3.38Å; K184-D188 PolarHBondContact O-N 3.22Å
185	E	97.8	Very high	93.8	Very high	149 Å²	149	58.3 Å²	58.3	70%	0.696	30%	0.299	S	S	*	.	H	α-helix	trans	-59.1	-43.7	177.6	-174.3	178.6	165.2	0	0	111.4	A181 D182 D188 K189	A181-E185 PolarHBondContact O-N 2.88Å; D182-E185 PolarHBondContact O-N 3.19Å; E185-D188 PolarHBondContact O-N 3.37Å; E185-K189 PolarHBondContact O-N 2.87Å
186	K	98.6	Very high	95.2	Very high	22 Å²	22	53.7 Å²	53.7	10%	0.096	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-47.6	175.7	-69.1	172.9	-179.8	162.3	0	111.6	D182 A183 K184 K189 I190 W561 F610	D182-K186 WeakPolarHBondContact O-CB 3.38Å; D182-K186 VanDerWaalsContact O-CG 3.22Å; D182-K186 WeakPolarHBondContact O-CG 3.39Å; D182-K186 PolarHBondContact O-N 2.92Å; D182-K186 WeakPolarHBondContact OD1-CE 3.22Å; D182-K186 IonicContact OD1-NZ 3.38Å; D182-K186 PolarHBondContact OD1-NZ 3.24Å; D182-K186 WeakPolarHBondContact OD2-CE 3.37Å; D182-K186 IonicContact OD2-NZ 3.3Å; D182-K186 PolarHBondContact OD2-NZ 2.88Å; A183-K186 PolarHBondContact O-N 3.21Å; K184-K186 VanDerWaalsContact C-N 3.32Å; K184-K186 PolarHBondContact O-N 3.48Å; K186-K189 WeakPolarHBondContact O-CB 3.42Å; K186-K189 PolarHBondContact O-N 3.25Å; K186-I190 WeakPolarHBondContact O-CG1 3.48Å; K186-I190 PolarHBondContact O-N 2.64Å; K186-W561 HydrophobicContact CB-CD2 4.4Å; K186-W561 HydrophobicContact CB-CE3 3.81Å; K186-W561 HydrophobicContact CB-CH2 4.23Å; K186-W561 HydrophobicContact CB-CZ3 3.72Å; K186-W561 HydrophobicContact CD-CB 4.38Å; K186-W561 HydrophobicContact CD-CD2 3.79Å; K186-W561 HydrophobicContact CD-CE3 4.04Å; K186-W561 HydrophobicContact CD-CG 3.94Å; K186-W561 HydrophobicContact CG-CD2 3.67Å; K186-W561 HydrophobicContact CG-CE3 3.58Å; K186-W561 HydrophobicContact CG-CG 4.36Å; K186-W561 HydrophobicContact CG-CH2 3.83Å; K186-W561 HydrophobicContact CG-CZ2 3.93Å; K186-W561 HydrophobicContact CG-CZ3 3.67Å; K186-F610 HydrophobicContact CB-CB 4.4Å; K186-F610 HydrophobicContact CB-CD1 3.92Å; K186-F610 HydrophobicContact CB-CD2 3.99Å; K186-F610 HydrophobicContact CB-CE1 4.23Å; K186-F610 HydrophobicContact CB-CE2 4.3Å; K186-F610 HydrophobicContact CB-CG 3.82Å; K186-F610 HydrophobicContact CB-CZ 4.42Å; K186-F610 HydrophobicContact CD-CD1 4.1Å; K186-F610 HydrophobicContact CD-CE1 3.81Å; K186-F610 HydrophobicContact CD-CZ 4.29Å
187	R	97.9	Very high	96.1	Very high	19 Å²	19	53.7 Å²	53.7	7%	0.072	27%	0.273	C	S	.	.	H	α-helix	trans	-60.1	-45	177.2	-176	-174.9	144.2	-177.8	-13.9	112.4	G176 A183 K184 K189 I190 R191 Y607 F610 S611	G176-R187 PolarHBondContact O-NH1 3.34Å; A183-R187 VanDerWaalsContact O-CB 3.28Å; A183-R187 WeakPolarHBondContact O-CB 3.33Å; A183-R187 PolarHBondContact O-N 2.91Å; K184-R187 PolarHBondContact O-N 3.38Å; R187-K189 VanDerWaalsContact C-N 3.29Å; R187-K189 PolarHBondContact O-N 2.7Å; R187-I190 PolarHBondContact O-N 3.22Å; R187-I190 VanDerWaalsContact O-N 3.1Å; R187-R191 PolarHBondContact O-N 2.91Å; R187-Y607 HydrophobicContact CG-CD2 3.47Å; R187-Y607 VanDerWaalsContact CG-CD2 3.47Å; R187-Y607 HydrophobicContact CG-CE2 3.52Å; R187-Y607 HydrophobicContact CG-CG 4.13Å; R187-Y607 VanDerWaalsContact CZ-OH 3.31Å; R187-Y607 PolarHBondContact NE-OH 3.18Å; R187-Y607 PolarHBondContact NH2-OH 3.31Å; R187-F610 HydrophobicContact CB-CB 3.78Å; R187-S611 WeakPolarHBondContact CD-OG 3.32Å
188	D	98.1	Very high	96.6	Very high	61 Å²	61	48.7 Å²	48.7	33%	0.326	25%	0.25	S	C	.	.	H	α-helix	trans	-66.2	-31.5	177	-83.8	-37.8	0	0	0	111.9	K184 E185 R191 E192	K184-D188 PolarHBondContact O-N 3.22Å; E185-D188 PolarHBondContact O-N 3.37Å; D188-R191 WeakPolarHBondContact O-CB 3.49Å; D188-R191 PolarHBondContact O-N 3.5Å; D188-R191 IonicContact OD1-CZ 3.91Å; D188-R191 IonicContact OD1-NH1 3.74Å; D188-R191 PolarHBondContact OD1-NH1 3.41Å; D188-E192 PolarHBondContact O-N 2.93Å
189	K	98.8	Very high	97	Very high	52 Å²	52	51.2 Å²	51.2	23%	0.226	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-38	168.3	175.8	59.6	-174.8	176.9	0	112.6	E185 K186 R187 E192 M193 W561 D568	E185-K189 PolarHBondContact O-N 2.87Å; K186-K189 WeakPolarHBondContact O-CB 3.42Å; K186-K189 PolarHBondContact O-N 3.25Å; R187-K189 VanDerWaalsContact C-N 3.29Å; R187-K189 PolarHBondContact O-N 2.7Å; K189-E192 IonicContact NZ-OE2 3.75Å; K189-E192 PolarHBondContact NZ-OE2 2.96Å; K189-E192 WeakPolarHBondContact O-CB 3.32Å; K189-E192 PolarHBondContact O-N 3.28Å; K189-M193 HydrophobicContact CD-CG 4.43Å; K189-M193 HydrophobicContact CG-SD 4.37Å; K189-M193 WeakPolarHBondContact O-CG 3.37Å; K189-M193 PolarHBondContact O-N 2.96Å; K189-W561 HydrophobicContact CB-CH2 3.98Å; K189-W561 HydrophobicContact CB-CZ3 4.22Å; K189-W561 HydrophobicContact CG-CH2 3.83Å; K189-W561 HydrophobicContact CG-CZ3 4.12Å; K189-D568 VanDerWaalsContact CE-CG 3.44Å; K189-D568 WeakPolarHBondContact CE-OD2 3.44Å; K189-D568 IonicContact NZ-OD1 3.86Å; K189-D568 PolarHBondContact NZ-OD1 2.66Å; K189-D568 IonicContact NZ-OD2 3.25Å; K189-D568 PolarHBondContact NZ-OD2 2.97Å
190	I	98.8	Very high	97.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-40.3	174.3	-49.5	-47.8	0	0	0	111.1	K186 R187 E192 M193 M194 M243 W561 A564 L603 L606 F610	K186-I190 WeakPolarHBondContact O-CG1 3.48Å; K186-I190 PolarHBondContact O-N 2.64Å; R187-I190 PolarHBondContact O-N 3.22Å; R187-I190 VanDerWaalsContact O-N 3.1Å; I190-E192 VanDerWaalsContact C-N 3.31Å; I190-E192 PolarHBondContact O-N 3.39Å; I190-M193 HydrophobicContact CD1-SD 4.21Å; I190-M193 WeakPolarHBondContact O-CB 3.26Å; I190-M193 PolarHBondContact O-N 2.9Å; I190-M194 PolarHBondContact O-N 3.07Å; I190-M243 HydrophobicContact CG2-CE 4.25Å; I190-W561 HydrophobicContact CD1-CZ3 4.39Å; I190-A564 HydrophobicContact CD1-CB 3.8Å; I190-L603 HydrophobicContact CG2-CB 4.31Å; I190-L603 HydrophobicContact CG2-CD2 3.89Å; I190-L603 VanDerWaalsContact CG2-O 3.31Å; I190-L603 WeakPolarHBondContact CG2-O 3.34Å; I190-L606 HydrophobicContact CD1-CB 4Å; I190-L606 HydrophobicContact CD1-CD1 4.07Å; I190-L606 HydrophobicContact CD1-CG 4.48Å; I190-L606 HydrophobicContact CG1-CB 3.94Å; I190-L606 HydrophobicContact CG2-CB 3.73Å; I190-F610 HydrophobicContact CG1-CD2 4.09Å
191	R	98.6	Very high	98	Very high	68 Å²	68	41.9 Å²	41.9	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-59.6	-39.5	172.8	177.9	-172.6	-88.1	156.5	-17.7	111.9	R187 D188 M194 K195 M243 L245 Y607	R187-R191 PolarHBondContact O-N 2.91Å; D188-R191 WeakPolarHBondContact O-CB 3.49Å; D188-R191 PolarHBondContact O-N 3.5Å; D188-R191 IonicContact OD1-CZ 3.91Å; D188-R191 IonicContact OD1-NH1 3.74Å; D188-R191 PolarHBondContact OD1-NH1 3.41Å; R191-M194 PolarHBondContact O-N 2.93Å; R191-K195 PolarHBondContact O-N 3.09Å; R191-M243 HydrophobicContact CB-SD 4.44Å; R191-M243 VanDerWaalsContact CZ-O 3.28Å; R191-M243 PolarHBondContact NE-O 2.91Å; R191-M243 PolarHBondContact NH2-O 3.24Å; R191-L245 HydrophobicContact CG-CD2 4.46Å; R191-Y607 HydrophobicContact CB-CD2 4.49Å; R191-Y607 HydrophobicContact CB-CE2 4.28Å; R191-Y607 PolarHBondContact NH2-OH 2.76Å
192	E	98.8	Very high	98.2	Very high	77 Å²	77	43.1 Å²	43.1	36%	0.36	20%	0.198	S	C	.	.	H	α-helix	trans	-63.6	-43.5	173	-171.7	-81.5	137.8	0	0	112.2	D188 K189 I190 K195 H196 R572	D188-E192 PolarHBondContact O-N 2.93Å; K189-E192 IonicContact NZ-OE2 3.75Å; K189-E192 PolarHBondContact NZ-OE2 2.96Å; K189-E192 WeakPolarHBondContact O-CB 3.32Å; K189-E192 PolarHBondContact O-N 3.28Å; I190-E192 VanDerWaalsContact C-N 3.31Å; I190-E192 PolarHBondContact O-N 3.39Å; E192-K195 PolarHBondContact O-N 3.35Å; E192-H196 PolarHBondContact O-N 3.46Å; E192-R572 IonicContact OE1-CZ 2.67Å; E192-R572 IonicContact OE1-NH1 3.94Å; E192-R572 PolarHBondContact OE1-NH1 2.84Å; E192-R572 VanDerWaalsContact OE1-NH1 3.16Å; E192-R572 IonicContact OE1-NH2 3.33Å; E192-R572 PolarHBondContact OE1-NH2 2.88Å; E192-R572 IonicContact OE2-CZ 3.7Å; E192-R572 IonicContact OE2-NH1 2.72Å; E192-R572 PolarHBondContact OE2-NH1 2.92Å; E192-R572 IonicContact OE2-NH2 3.6Å
193	M	98.9	Very high	98.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-41.6	175.8	-67.5	168.8	64.9	0	0	111.9	K189 I190 H196 A197 I567 D568 F577 L603	K189-M193 HydrophobicContact CD-CG 4.43Å; K189-M193 HydrophobicContact CG-SD 4.37Å; K189-M193 WeakPolarHBondContact O-CG 3.37Å; K189-M193 PolarHBondContact O-N 2.96Å; I190-M193 HydrophobicContact CD1-SD 4.21Å; I190-M193 WeakPolarHBondContact O-CB 3.26Å; I190-M193 PolarHBondContact O-N 2.9Å; M193-H196 PolarHBondContact O-N 3.17Å; M193-A197 WeakPolarHBondContact O-CB 3.43Å; M193-A197 PolarHBondContact O-N 2.95Å; M193-I567 HydrophobicContact CE-CB 4.23Å; M193-I567 HydrophobicContact CE-CG2 3.79Å; M193-D568 HydrophobicContact CE-CB 4.01Å; M193-D568 HydrophobicContact SD-CB 4.1Å; M193-F577 HydrophobicContact CB-CE2 4.34Å; M193-F577 HydrophobicContact CB-CZ 3.9Å; M193-F577 HydrophobicContact CE-CE1 3.96Å; M193-F577 HydrophobicContact CE-CZ 4.05Å; M193-F577 HydrophobicContact CG-CZ 4.02Å; M193-F577 WeakPolarHBondContact O-CE2 3.3Å; M193-L603 HydrophobicContact CB-CD2 3.85Å; M193-L603 HydrophobicContact CE-CD2 4.22Å
194	M	98.9	Very high	98.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-46.5	172.5	-178.5	64.7	175.9	0	0	111.8	I190 R191 H196 A197 W198 A236 T239 L240 M243 L245 L599 L603	I190-M194 PolarHBondContact O-N 3.07Å; R191-M194 PolarHBondContact O-N 2.93Å; M194-H196 PolarHBondContact O-N 3.44Å; M194-A197 PolarHBondContact O-N 2.85Å; M194-W198 WeakPolarHBondContact O-CB 3.29Å; M194-W198 PolarHBondContact O-N 3.05Å; M194-A236 HydrophobicContact CE-CB 3.92Å; M194-T239 HydrophobicContact CE-CG2 3.6Å; M194-T239 HydrophobicContact CG-CG2 4.28Å; M194-T239 HydrophobicContact SD-CG2 3.83Å; M194-L240 HydrophobicContact CE-CD2 3.6Å; M194-L240 HydrophobicContact CE-CG 3.76Å; M194-L240 HydrophobicContact CG-CD2 4.42Å; M194-M243 HydrophobicContact CB-CE 3.98Å; M194-M243 HydrophobicContact CB-SD 3.43Å; M194-M243 WeakPolarHBondContact CB-SD 3.39Å; M194-M243 HydrophobicContact CG-CE 4.2Å; M194-M243 HydrophobicContact CG-SD 3.56Å; M194-M243 VanDerWaalsContact CG-SD 3.56Å; M194-L245 HydrophobicContact CG-CD1 4.04Å; M194-L599 HydrophobicContact CE-CB 4.02Å; M194-L599 HydrophobicContact CE-CD2 4.02Å; M194-L599 HydrophobicContact CE-CG 4.35Å; M194-L599 HydrophobicContact SD-CB 3.95Å; M194-L599 HydrophobicContact SD-CD2 4.02Å; M194-L599 HydrophobicContact SD-CG 3.95Å; M194-L603 HydrophobicContact CB-CD1 4.04Å; M194-L603 HydrophobicContact SD-CB 4.49Å; M194-L603 HydrophobicContact SD-CD1 3.87Å
195	K	98.8	Very high	98.5	Very high	75 Å²	75	44.1 Å²	44.1	33%	0.326	20%	0.199	S	C	.	.	H	α-helix	trans	-63	-40.5	178.2	-174.4	154.1	-178.2	60	0	112.3	R191 E192 A197 W198 D199 E248	R191-K195 PolarHBondContact O-N 3.09Å; E192-K195 PolarHBondContact O-N 3.35Å; K195-A197 PolarHBondContact O-N 3.31Å; K195-W198 PolarHBondContact O-N 2.62Å; K195-D199 WeakPolarHBondContact CE-OD2 3.46Å; K195-D199 VanDerWaalsContact CG-OD2 3.25Å; K195-D199 WeakPolarHBondContact CG-OD2 3.43Å; K195-D199 IonicContact NZ-OD1 3.81Å; K195-D199 PolarHBondContact NZ-OD1 3Å; K195-D199 IonicContact NZ-OD2 3.36Å; K195-D199 PolarHBondContact NZ-OD2 3.32Å; K195-D199 VanDerWaalsContact O-CB 3.27Å; K195-D199 WeakPolarHBondContact O-CB 3.03Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.49Å; K195-E248 IonicContact NZ-OE1 3.74Å; K195-E248 PolarHBondContact NZ-OE1 3.28Å
196	H	98.9	Very high	98.4	Very high	39 Å²	39	41 Å²	41	18%	0.181	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-41.4	173.3	177.1	96	0	0	0	112.8	E192 M193 M194 S200 R572 V573 G576 F577	E192-H196 PolarHBondContact O-N 3.46Å; M193-H196 PolarHBondContact O-N 3.17Å; M194-H196 PolarHBondContact O-N 3.44Å; H196-S200 WeakPolarHBondContact O-CB 3.31Å; H196-S200 PolarHBondContact O-N 2.9Å; H196-S200 PolarHBondContact O-OG 3.02Å; H196-R572 VanDerWaalsContact CB-NH2 3.31Å; H196-R572 PolarHBondContact CE1-NE 2.85Å; H196-R572 PolarHBondContact ND1-NE 3.04Å; H196-R572 PolarHBondContact ND1-NH2 2.86Å; H196-V573 PolarHBondContact CE1-O 3.18Å; H196-V573 VanDerWaalsContact CE1-O 3.25Å; H196-V573 PolarHBondContact NE2-O 3.35Å; H196-G576 PolarHBondContact NE2-O 2.73Å; H196-G576 VanDerWaalsContact NE2-O 3.12Å; H196-F577 HydrophobicContact CB-CE2 4.38Å; H196-F577 AromaticContact CD2-CD2 3.86Å; H196-F577 AromaticContact CD2-CE2 3.48Å; H196-F577 VanDerWaalsContact CD2-CE2 3.48Å; H196-F577 WeakPolarHBondContact CD2-CE2 3.36Å
197	A	98.9	Very high	98.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.4	-42.5	177.8	0	0	0	0	0	112.2	M193 M194 K195 Y201 F577 Q594 F598 L599 L603	M193-A197 WeakPolarHBondContact O-CB 3.43Å; M193-A197 PolarHBondContact O-N 2.95Å; M194-A197 PolarHBondContact O-N 2.85Å; K195-A197 PolarHBondContact O-N 3.31Å; A197-Y201 WeakPolarHBondContact O-CB 3.08Å; A197-Y201 PolarHBondContact O-N 3.13Å; A197-Y201 VanDerWaalsContact O-N 3.08Å; A197-F577 HydrophobicContact CB-CD2 3.96Å; A197-F577 HydrophobicContact CB-CE2 4.21Å; A197-Q594 PolarHBondContact O-NE2 2.8Å; A197-Q594 VanDerWaalsContact O-NE2 3.08Å; A197-F598 HydrophobicContact CB-CD1 4.45Å; A197-F598 HydrophobicContact CB-CE1 4.21Å; A197-L599 HydrophobicContact CB-CD1 4.29Å; A197-L599 HydrophobicContact CB-CD2 4.22Å; A197-L599 HydrophobicContact CB-CG 4.15Å; A197-L603 HydrophobicContact CB-CD1 4.44Å
198	W	98.8	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-72.2	-51.2	179.6	178.9	-101.9	0	0	0	113	M194 K195 S200 Y201 R202 W206 I233 A236 L240 E248 L599	M194-W198 WeakPolarHBondContact O-CB 3.29Å; M194-W198 PolarHBondContact O-N 3.05Å; K195-W198 PolarHBondContact O-N 2.62Å; W198-S200 PolarHBondContact O-N 3.22Å; W198-Y201 HydrophobicContact CE3-CD1 4.27Å; W198-Y201 HydrophobicContact CZ3-CD1 4.24Å; W198-Y201 HydrophobicContact CZ3-CE1 4.5Å; W198-Y201 CarbonylContact O-C 3.47Å; W198-Y201 WeakPolarHBondContact O-CA 3.39Å; W198-Y201 WeakPolarHBondContact O-CB 3.41Å; W198-Y201 PolarHBondContact O-N 2.99Å; W198-R202 WeakPolarHBondContact O-CB 3.31Å; W198-R202 PolarHBondContact O-N 3.02Å; W198-W206 HydrophobicContact CH2-CH2 4.02Å; W198-W206 AromaticContact CH2-CZ3 3.68Å; W198-W206 HydrophobicContact CH2-CZ3 3.68Å; W198-W206 AromaticContact CZ2-CH2 3.74Å; W198-W206 HydrophobicContact CZ2-CH2 3.74Å; W198-W206 AromaticContact CZ2-CZ3 3.53Å; W198-W206 HydrophobicContact CZ2-CZ3 3.53Å; W198-W206 HydrophobicContact CZ3-CZ3 4.47Å; W198-I233 HydrophobicContact CH2-CG1 4.26Å; W198-I233 HydrophobicContact CH2-CG2 4.4Å; W198-A236 HydrophobicContact CE3-CB 4Å; W198-A236 HydrophobicContact CZ3-CB 3.74Å; W198-L240 HydrophobicContact CD2-CD1 3.95Å; W198-L240 HydrophobicContact CD2-CD2 4.28Å; W198-L240 HydrophobicContact CE3-CD1 3.97Å; W198-L240 HydrophobicContact CG-CD2 4.21Å; W198-L240 HydrophobicContact CH2-CD1 3.75Å; W198-L240 HydrophobicContact CZ2-CD1 3.73Å; W198-L240 HydrophobicContact CZ3-CD1 3.89Å; W198-E248 VanDerWaalsContact CD1-CG 3.47Å; W198-E248 WeakPolarHBondContact CZ2-O 3.43Å; W198-L599 HydrophobicContact CB-CD2 4.46Å; W198-L599 HydrophobicContact CE3-CD2 4.21Å
199	D	98.8	Very high	98	Very high	59 Å²	59	38.7 Å²	38.7	32%	0.316	17%	0.17	S	C	.	.	H	α-helix	trans	-61.6	-34.5	-179.6	-70.8	-11.7	0	0	0	110.7	K195 Q203	K195-D199 WeakPolarHBondContact CE-OD2 3.46Å; K195-D199 VanDerWaalsContact CG-OD2 3.25Å; K195-D199 WeakPolarHBondContact CG-OD2 3.43Å; K195-D199 IonicContact NZ-OD1 3.81Å; K195-D199 PolarHBondContact NZ-OD1 3Å; K195-D199 IonicContact NZ-OD2 3.36Å; K195-D199 PolarHBondContact NZ-OD2 3.32Å; K195-D199 VanDerWaalsContact O-CB 3.27Å; K195-D199 WeakPolarHBondContact O-CB 3.03Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.49Å; D199-Q203 WeakPolarHBondContact O-CB 3.46Å; D199-Q203 PolarHBondContact O-N 2.83Å
200	S	98.7	Very high	97.9	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.063	16%	0.16	C	C	.	.	H	α-helix	trans	-66.5	-44	171.4	-63.3	0	0	0	0	112.8	H196 W198 Q203 Y204 G575 G576	H196-S200 WeakPolarHBondContact O-CB 3.31Å; H196-S200 PolarHBondContact O-N 2.9Å; H196-S200 PolarHBondContact O-OG 3.02Å; W198-S200 PolarHBondContact O-N 3.22Å; S200-Q203 PolarHBondContact O-N 3.28Å; S200-Y204 WeakPolarHBondContact O-CD2 3.38Å; S200-Y204 PolarHBondContact O-N 3.34Å; S200-G575 WeakPolarHBondContact CB-O 3.31Å; S200-G575 VanDerWaalsContact OG-C 3.28Å; S200-G576 PolarHBondContact OG-N 2.92Å
201	Y	98.6	Very high	97.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-45.6	174.3	169.2	-94.1	0	0	0	111.3	A197 W198 Q203 Y204 G205 W206 G207 H208 L211 T232 I233	A197-Y201 WeakPolarHBondContact O-CB 3.08Å; A197-Y201 PolarHBondContact O-N 3.13Å; A197-Y201 VanDerWaalsContact O-N 3.08Å; W198-Y201 HydrophobicContact CE3-CD1 4.27Å; W198-Y201 HydrophobicContact CZ3-CD1 4.24Å; W198-Y201 HydrophobicContact CZ3-CE1 4.5Å; W198-Y201 CarbonylContact O-C 3.47Å; W198-Y201 WeakPolarHBondContact O-CA 3.39Å; W198-Y201 WeakPolarHBondContact O-CB 3.41Å; W198-Y201 PolarHBondContact O-N 2.99Å; Y201-Q203 VanDerWaalsContact C-N 3.31Å; Y201-Q203 PolarHBondContact O-N 3.21Å; Y201-Y204 PolarHBondContact O-N 3.01Å; Y201-G205 WeakPolarHBondContact CE2-O 3.49Å; Y201-G205 CarbonylContact O-C 3.41Å; Y201-G205 VanDerWaalsContact O-CA 3.3Å; Y201-G205 WeakPolarHBondContact O-CA 3.46Å; Y201-G205 PolarHBondContact O-N 2.64Å; Y201-G205 PolarHBondContact OH-O 3.26Å; Y201-W206 AromaticContact CD1-CE3 3.96Å; Y201-W206 HydrophobicContact CD1-CE3 3.96Å; Y201-W206 HydrophobicContact CD1-CZ3 4.25Å; Y201-W206 AromaticContact CE1-CE3 3.5Å; Y201-W206 HydrophobicContact CE1-CE3 3.5Å; Y201-W206 AromaticContact CE1-CZ3 3.89Å; Y201-W206 HydrophobicContact CE1-CZ3 3.89Å; Y201-W206 PolarHBondContact O-N 2.98Å; Y201-G207 PolarHBondContact OH-N 3.32Å; Y201-H208 WeakPolarHBondContact CE2-O 3.41Å; Y201-H208 PolarHBondContact OH-O 3.47Å; Y201-L211 HydrophobicContact CD2-CB 4.12Å; Y201-T232 HydrophobicContact CD1-CG2 3.99Å; Y201-T232 HydrophobicContact CD2-CG2 3.58Å; Y201-T232 HydrophobicContact CE1-CG2 4.27Å; Y201-T232 HydrophobicContact CE2-CG2 3.88Å; Y201-T232 HydrophobicContact CG-CG2 3.66Å; Y201-I233 HydrophobicContact CE1-CD1 4.14Å; Y201-I233 HydrophobicContact CE1-CG1 3.51Å; Y201-I233 WeakPolarHBondContact OH-CG1 3.46Å
202	R	98.1	Very high	97.8	Very high	106 Å²	106	34.7 Å²	34.7	40%	0.4	15%	0.154	S	C	.	.	H	α-helix	trans	-59.2	-38.7	174.6	-172.7	-173.8	-178.2	156.2	15.9	112.6	W198 W206 D251	W198-R202 WeakPolarHBondContact O-CB 3.31Å; W198-R202 PolarHBondContact O-N 3.02Å; R202-W206 HydrophobicContact CB-CE3 4.12Å; R202-W206 HydrophobicContact CB-CZ3 4.4Å; R202-W206 HydrophobicContact CG-CD2 4.46Å; R202-W206 HydrophobicContact CG-CE3 4.06Å; R202-W206 HydrophobicContact CG-CZ3 4.32Å; R202-D251 VanDerWaalsContact CZ-CG 3.47Å; R202-D251 IonicContact CZ-OD1 3.72Å; R202-D251 IonicContact CZ-OD2 2.66Å; R202-D251 IonicContact NH1-OD1 2.68Å; R202-D251 IonicContact NH1-OD2 2.71Å; R202-D251 PolarHBondContact NH1-OD2 3.43Å; R202-D251 IonicContact NH2-OD1 3.43Å; R202-D251 PolarHBondContact NH2-OD1 3.28Å; R202-D251 IonicContact NH2-OD2 3.08Å; R202-D251 PolarHBondContact NH2-OD2 2.9Å; R202-D251 VanDerWaalsContact NH2-OD2 3.13Å
203	Q	98.4	Very high	97.8	Very high	132 Å²	132	31 Å²	31	62%	0.617	14%	0.137	S	C	*	.	H	α-helix	trans	-74.7	-35.8	-180	-169.5	175.4	24.5	0	0	113.5	D199 S200 Y201	D199-Q203 WeakPolarHBondContact O-CB 3.46Å; D199-Q203 PolarHBondContact O-N 2.83Å; S200-Q203 PolarHBondContact O-N 3.28Å; Y201-Q203 VanDerWaalsContact C-N 3.31Å; Y201-Q203 PolarHBondContact O-N 3.21Å
204	Y	98.3	Very high	97.8	Very high	56 Å²	56	35 Å²	35	22%	0.22	16%	0.158	C	C	.	.	H	α-helix	trans	-121.7	-15.6	-166	-57	-59.8	0	0	0	115.4	S200 Y201 K216 K217 G218	S200-Y204 WeakPolarHBondContact O-CD2 3.38Å; S200-Y204 PolarHBondContact O-N 3.34Å; Y201-Y204 PolarHBondContact O-N 3.01Å; Y204-K216 HydrophobicContact CD1-CB 3.69Å; Y204-K216 HydrophobicContact CD1-CD 4.36Å; Y204-K216 HydrophobicContact CD1-CG 4.23Å; Y204-K216 HydrophobicContact CD2-CB 4.4Å; Y204-K216 HydrophobicContact CD2-CG 4.23Å; Y204-K216 HydrophobicContact CE1-CB 3.95Å; Y204-K216 HydrophobicContact CE1-CD 3.78Å; Y204-K216 HydrophobicContact CE1-CG 4.14Å; Y204-K216 HydrophobicContact CE2-CD 4.05Å; Y204-K216 HydrophobicContact CE2-CG 4.2Å; Y204-K216 HydrophobicContact CG-CB 3.94Å; Y204-K216 HydrophobicContact CG-CG 4.28Å; Y204-K216 PolarHBondContact OH-NZ 3.11Å; Y204-K217 CarbonylContact O-C 3.48Å; Y204-K217 WeakPolarHBondContact O-CA 3.33Å; Y204-G218 PolarHBondContact O-N 2.87Å
205	G	96.4	Very high	97.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.7	8.7	-170.4	0	0	0	0	0	115.7	Y201 G207 H208	Y201-G205 WeakPolarHBondContact CE2-O 3.49Å; Y201-G205 CarbonylContact O-C 3.41Å; Y201-G205 VanDerWaalsContact O-CA 3.3Å; Y201-G205 WeakPolarHBondContact O-CA 3.46Å; Y201-G205 PolarHBondContact O-N 2.64Å; Y201-G205 PolarHBondContact OH-O 3.26Å; G205-G207 PolarHBondContact O-N 2.86Å; G205-H208 WeakPolarHBondContact O-CA 3.4Å; G205-H208 VanDerWaalsContact O-CB 3.24Å; G205-H208 WeakPolarHBondContact O-CB 3.33Å; G205-H208 PolarHBondContact O-N 3.11Å
206	W	97.6	Very high	97.7	Very high	84 Å²	84	37.1 Å²	37.1	32%	0.318	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	126.2	-175.3	-164.3	-119.1	0	0	0	113.4	W198 Y201 R202 H208 I233 D251 W255	W198-W206 HydrophobicContact CH2-CH2 4.02Å; W198-W206 AromaticContact CH2-CZ3 3.68Å; W198-W206 HydrophobicContact CH2-CZ3 3.68Å; W198-W206 AromaticContact CZ2-CH2 3.74Å; W198-W206 HydrophobicContact CZ2-CH2 3.74Å; W198-W206 AromaticContact CZ2-CZ3 3.53Å; W198-W206 HydrophobicContact CZ2-CZ3 3.53Å; W198-W206 HydrophobicContact CZ3-CZ3 4.47Å; Y201-W206 AromaticContact CD1-CE3 3.96Å; Y201-W206 HydrophobicContact CD1-CE3 3.96Å; Y201-W206 HydrophobicContact CD1-CZ3 4.25Å; Y201-W206 AromaticContact CE1-CE3 3.5Å; Y201-W206 HydrophobicContact CE1-CE3 3.5Å; Y201-W206 AromaticContact CE1-CZ3 3.89Å; Y201-W206 HydrophobicContact CE1-CZ3 3.89Å; Y201-W206 PolarHBondContact O-N 2.98Å; R202-W206 HydrophobicContact CB-CE3 4.12Å; R202-W206 HydrophobicContact CB-CZ3 4.4Å; R202-W206 HydrophobicContact CG-CD2 4.46Å; R202-W206 HydrophobicContact CG-CE3 4.06Å; R202-W206 HydrophobicContact CG-CZ3 4.32Å; W206-H208 PolarHBondContact O-N 3.21Å; W206-I233 HydrophobicContact CD2-CD1 4.09Å; W206-I233 HydrophobicContact CE3-CD1 3.95Å; W206-I233 HydrophobicContact CE3-CG1 4.19Å; W206-I233 HydrophobicContact CH2-CD1 4.04Å; W206-I233 HydrophobicContact CH2-CG1 4.22Å; W206-I233 HydrophobicContact CZ2-CD1 4.18Å; W206-I233 HydrophobicContact CZ3-CD1 3.93Å; W206-I233 HydrophobicContact CZ3-CG1 3.87Å; W206-D251 HydrophobicContact CH2-CB 3.97Å; W206-D251 HydrophobicContact CZ2-CB 4.25Å; W206-D251 WeakPolarHBondContact CZ2-O 3.28Å; W206-W255 HydrophobicContact CZ2-CB 3.84Å; W206-W255 HydrophobicContact CZ2-CG 4.29Å; W206-W255 AromaticContact NE1-CD1 3.51Å
207	G	94.9	Very high	97.6	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.031	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-15.4	-176.5	0	0	0	0	0	115.6	Y201 G205 Q228 G230	Y201-G207 PolarHBondContact OH-N 3.32Å; G205-G207 PolarHBondContact O-N 2.86Å; G207-Q228 WeakPolarHBondContact O-CB 2.9Å; G207-G230 WeakPolarHBondContact O-CA 3.27Å; G207-G230 PolarHBondContact O-N 3.02Å
208	H	95.4	Very high	97.4	Very high	51 Å²	51	41.6 Å²	41.6	24%	0.236	20%	0.199	C	C	.	.	S	Bend	trans	-74.5	161.6	167.6	-70	-104	0	0	0	111	Y201 G205 W206 E210 S220 Q228 G230	Y201-H208 WeakPolarHBondContact CE2-O 3.41Å; Y201-H208 PolarHBondContact OH-O 3.47Å; G205-H208 WeakPolarHBondContact O-CA 3.4Å; G205-H208 VanDerWaalsContact O-CB 3.24Å; G205-H208 WeakPolarHBondContact O-CB 3.33Å; G205-H208 PolarHBondContact O-N 3.11Å; W206-H208 PolarHBondContact O-N 3.21Å; H208-E210 VanDerWaalsContact C-N 3.34Å; H208-E210 PolarHBondContact O-N 2.98Å; H208-S220 PolarHBondContact ND1-OG 2.88Å; H208-Q228 PolarHBondContact CE1-NE2 3.43Å; H208-G230 WeakPolarHBondContact O-CA 3.4Å
209	N	95.1	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-69.3	-37	-175.1	-54.2	-23.2	0	0	0	111.2	H219 F224 S227 L229 G230 A231 T232	N209-H219 PolarHBondContact N-O 3.23Å; N209-F224 HydrophobicContact CB-CD2 3.91Å; N209-F224 WeakPolarHBondContact ND2-CB 3.26Å; N209-S227 PolarHBondContact ND2-O 3.48Å; N209-S227 PolarHBondContact OD1-O 2.73Å; N209-L229 PolarHBondContact OD1-N 2.68Å; N209-G230 PolarHBondContact OD1-N 2.94Å; N209-G230 VanDerWaalsContact OD1-N 3.12Å; N209-A231 HydrophobicContact CB-CB 4.03Å; N209-T232 WeakPolarHBondContact O-CB 3.21Å; N209-T232 PolarHBondContact O-N 3.11Å; N209-T232 PolarHBondContact O-OG1 3.23Å
210	E	96.1	Very high	96.1	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	179.7	-175.1	-69.8	168.1	96.4	0	0	109.9	H208 H219 T221	H208-E210 VanDerWaalsContact C-N 3.34Å; H208-E210 PolarHBondContact O-N 2.98Å; E210-H219 HydrophobicContact CB-CB 3.92Å; E210-H219 PolarHBondContact N-O 2.67Å; E210-H219 PolarHBondContact O-N 2.94Å; E210-T221 WeakPolarHBondContact OE2-CB 3.47Å; E210-T221 WeakPolarHBondContact OE2-CG2 3.42Å; E210-T221 PolarHBondContact OE2-OG1 2.84Å
211	L	97.8	Very high	94.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.1	179.4	165.2	69.7	0	0	0	111.5	Y201 P213 G575 V593 Q594	Y201-L211 HydrophobicContact CD2-CB 4.12Å; L211-P213 HydrophobicContact CD2-CB 4.24Å; L211-P213 HydrophobicContact CG-CB 4.25Å; L211-P213 WeakPolarHBondContact O-CD 3.3Å; L211-G575 VanDerWaalsContact CD2-O 3.31Å; L211-G575 WeakPolarHBondContact CD2-O 3.43Å; L211-V593 WeakPolarHBondContact O-CA 3.45Å; L211-Q594 HydrophobicContact CB-CB 4.07Å; L211-Q594 HydrophobicContact CD2-CB 4.33Å; L211-Q594 HydrophobicContact CG-CB 4.38Å; L211-Q594 PolarHBondContact O-N 2.86Å
212	K	98.1	Very high	92.9	Very high	33 Å²	33	49.7 Å²	49.7	14%	0.143	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	96.7	162.9	-63.9	-150	145.3	-74	0	109.2	A215 K216 K217 H219 D592	K212-A215 HydrophobicContact CB-CB 4.05Å; K212-K216 WeakPolarHBondContact O-CA 3.35Å; K212-K216 PolarHBondContact O-N 3.41Å; K212-K217 WeakPolarHBondContact CA-O 3.29Å; K212-K217 HydrophobicContact CB-CG 4.06Å; K212-K217 WeakPolarHBondContact CB-O 3.48Å; K212-K217 PolarHBondContact N-O 2.85Å; K212-K217 PolarHBondContact O-N 3.24Å; K212-H219 WeakPolarHBondContact CE-ND1 3.44Å; K212-H219 HydrophobicContact CG-CB 3.72Å; K212-D592 WeakPolarHBondContact CA-O 3.3Å; K212-D592 WeakPolarHBondContact CB-O 3.37Å; K212-D592 WeakPolarHBondContact CB-OD1 3.48Å; K212-D592 WeakPolarHBondContact CD-OD2 3.4Å; K212-D592 WeakPolarHBondContact CG-O 3.48Å; K212-D592 PolarHBondContact NZ-O 3.44Å; K212-D592 IonicContact NZ-OD2 2.85Å
213	P	98.3	Very high	92	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18	-163.7	33.2	-39.1	0	0	0	114.3	L211 V573 G575 F577 Q594	L211-P213 HydrophobicContact CD2-CB 4.24Å; L211-P213 HydrophobicContact CG-CB 4.25Å; L211-P213 WeakPolarHBondContact O-CD 3.3Å; P213-V573 HydrophobicContact CB-CG2 3.69Å; P213-V573 HydrophobicContact CG-CG2 4.1Å; P213-G575 WeakPolarHBondContact CA-O 3.2Å; P213-G575 WeakPolarHBondContact CB-O 3.39Å; P213-F577 WeakPolarHBondContact CG-O 3.36Å; P213-Q594 HydrophobicContact CG-CB 4.41Å
214	L	98.3	Very high	91.1	Very high	84 Å²	84	40.3 Å²	40.3	44%	0.44	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-43.5	169.3	-73.2	79.9	0	0	0	110.5	K216 V573 Y590 D592	L214-K216 PolarHBondContact O-N 3.17Å; L214-V573 HydrophobicContact CD1-CG1 4.08Å; L214-V573 HydrophobicContact CD1-CG2 4.14Å; L214-V573 HydrophobicContact CG-CG1 4.45Å; L214-Y590 HydrophobicContact CD1-CD2 4.4Å; L214-Y590 HydrophobicContact CD1-CG 3.99Å; L214-Y590 HydrophobicContact CD2-CD2 3.74Å; L214-Y590 HydrophobicContact CD2-CG 4.06Å; L214-D592 WeakPolarHBondContact CA-OD1 3.35Å; L214-D592 HydrophobicContact CB-CB 4.41Å; L214-D592 WeakPolarHBondContact CB-OD1 3.2Å; L214-D592 HydrophobicContact CD1-CB 4.41Å; L214-D592 PolarHBondContact N-OD1 2.9Å
215	A	97.9	Very high	89.8	Confident	46 Å²	46	38 Å²	38	38%	0.38	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.9	178.3	0	0	0	0	0	114	K212 K217 D592	K212-A215 HydrophobicContact CB-CB 4.05Å; A215-K217 HydrophobicContact CB-CD 4.28Å; A215-K217 HydrophobicContact CB-CG 4.13Å; A215-K217 PolarHBondContact O-N 2.92Å; A215-D592 VanDerWaalsContact CB-OD2 3.23Å; A215-D592 WeakPolarHBondContact CB-OD2 3.33Å; A215-D592 PolarHBondContact N-OD1 3.25Å
216	K	98.3	Very high	88.8	Confident	73 Å²	73	45 Å²	45	32%	0.317	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	53.6	176.8	-69.5	-171.6	166.2	-149.5	0	113.3	Y204 K212 L214 S574	Y204-K216 HydrophobicContact CD1-CB 3.69Å; Y204-K216 HydrophobicContact CD1-CD 4.36Å; Y204-K216 HydrophobicContact CD1-CG 4.23Å; Y204-K216 HydrophobicContact CD2-CB 4.4Å; Y204-K216 HydrophobicContact CD2-CG 4.23Å; Y204-K216 HydrophobicContact CE1-CB 3.95Å; Y204-K216 HydrophobicContact CE1-CD 3.78Å; Y204-K216 HydrophobicContact CE1-CG 4.14Å; Y204-K216 HydrophobicContact CE2-CD 4.05Å; Y204-K216 HydrophobicContact CE2-CG 4.2Å; Y204-K216 HydrophobicContact CG-CB 3.94Å; Y204-K216 HydrophobicContact CG-CG 4.28Å; Y204-K216 PolarHBondContact OH-NZ 3.11Å; K212-K216 WeakPolarHBondContact O-CA 3.35Å; K212-K216 PolarHBondContact O-N 3.41Å; L214-K216 PolarHBondContact O-N 3.17Å; K216-S574 VanDerWaalsContact CE-O 3.26Å; K216-S574 WeakPolarHBondContact CE-O 3.25Å; K216-S574 PolarHBondContact NZ-O 3.26Å
217	K	96.9	Very high	88.1	Confident	118 Å²	118	42 Å²	42	51%	0.513	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.8	178.9	65.4	-176.5	-177.4	-176.7	0	111.8	Y204 K212 A215	Y204-K217 CarbonylContact O-C 3.48Å; Y204-K217 WeakPolarHBondContact O-CA 3.33Å; K212-K217 WeakPolarHBondContact CA-O 3.29Å; K212-K217 HydrophobicContact CB-CG 4.06Å; K212-K217 WeakPolarHBondContact CB-O 3.48Å; K212-K217 PolarHBondContact N-O 2.85Å; K212-K217 PolarHBondContact O-N 3.24Å; A215-K217 HydrophobicContact CB-CD 4.28Å; A215-K217 HydrophobicContact CB-CG 4.13Å; A215-K217 PolarHBondContact O-N 2.92Å
218	G	94.6	Very high	87.8	Confident	15 Å²	15	47.7 Å²	47.7	16%	0.155	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	151.6	173.4	0	0	0	0	0	114.2	Y204	Y204-G218 PolarHBondContact O-N 2.87Å
219	H	91.1	Very high	87.6	Confident	44 Å²	44	45.4 Å²	45.4	20%	0.204	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.6	171.1	-162	24.9	0	0	0	110.3	N209 E210 K212	N209-H219 PolarHBondContact N-O 3.23Å; E210-H219 HydrophobicContact CB-CB 3.92Å; E210-H219 PolarHBondContact N-O 2.67Å; E210-H219 PolarHBondContact O-N 2.94Å; K212-H219 WeakPolarHBondContact CE-ND1 3.44Å; K212-H219 HydrophobicContact CG-CB 3.72Å
220	S	80.4	Confident	87.6	Confident	32 Å²	32	45.4 Å²	45.4	22%	0.224	24%	0.243	C	C	.	.			trans	-143.9	100.6	178.1	-59	0	0	0	0	106.2	H208	H208-S220 PolarHBondContact ND1-OG 2.88Å
221	T	68	Low	87.6	Confident	33 Å²	33	45.2 Å²	45.2	20%	0.202	24%	0.242	C	C	.	.			trans	-81.7	154.8	-179.6	43.3	0	0	0	0	111.8	E210 I223 F224	E210-T221 WeakPolarHBondContact OE2-CB 3.47Å; E210-T221 WeakPolarHBondContact OE2-CG2 3.42Å; E210-T221 PolarHBondContact OE2-OG1 2.84Å; T221-I223 PolarHBondContact O-N 2.9Å; T221-F224 PolarHBondContact O-N 2.8Å
222	N	61.3	Low	87.6	Confident	129 Å²	129	45.2 Å²	45.2	69%	0.69	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-60.8	-19.5	-173.1	-65.9	-14	0	0	0	114.7	F224 G225	N222-F224 VanDerWaalsContact C-N 3.29Å; N222-F224 PolarHBondContact O-N 2.99Å; N222-G225 PolarHBondContact O-N 2.89Å
223	I	78	Confident	87.6	Confident	41 Å²	41	43.7 Å²	43.7	21%	0.21	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-68.6	-26.7	-178.1	56.4	169.3	0	0	0	113.1	T221 V268 S269 E272 W329	T221-I223 PolarHBondContact O-N 2.9Å; I223-V268 CarbonylContact O-C 3.34Å; I223-V268 WeakPolarHBondContact O-CA 3.39Å; I223-S269 PolarHBondContact O-N 2.94Å; I223-E272 HydrophobicContact CB-CG 4.21Å; I223-E272 HydrophobicContact CD1-CB 4.39Å; I223-E272 HydrophobicContact CD1-CG 4.01Å; I223-W329 HydrophobicContact CG2-CH2 4.42Å
224	F	80.2	Confident	87.6	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-101.9	12.5	171.5	-50.4	-58.5	0	0	0	111.8	N209 T221 N222 L229 A231 E272 V273 F277	N209-F224 HydrophobicContact CB-CD2 3.91Å; N209-F224 WeakPolarHBondContact ND2-CB 3.26Å; T221-F224 PolarHBondContact O-N 2.8Å; N222-F224 VanDerWaalsContact C-N 3.29Å; N222-F224 PolarHBondContact O-N 2.99Å; F224-L229 HydrophobicContact CB-CD1 4.48Å; F224-A231 HydrophobicContact CD2-CB 4.38Å; F224-A231 HydrophobicContact CE2-CB 4.05Å; F224-A231 HydrophobicContact CZ-CB 4.3Å; F224-E272 HydrophobicContact CE1-CB 3.85Å; F224-E272 HydrophobicContact CZ-CB 4.38Å; F224-V273 HydrophobicContact CD1-CG2 3.84Å; F224-V273 HydrophobicContact CE1-CG2 4.22Å; F224-F277 HydrophobicContact CD1-CD2 4.45Å; F224-F277 AromaticContact CD1-CE2 3.73Å; F224-F277 HydrophobicContact CD1-CE2 3.73Å; F224-F277 HydrophobicContact CE1-CD2 4.27Å; F224-F277 AromaticContact CE1-CE2 3.76Å; F224-F277 HydrophobicContact CE1-CE2 3.76Å; F224-F277 HydrophobicContact CG-CE2 4.35Å; F224-F277 HydrophobicContact CZ-CE2 4.41Å
225	G	71.8	Confident	87.7	Confident	8 Å²	8	39.7 Å²	39.7	8%	0.082	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-168.6	-169.4	0	0	0	0	0	113.2	N222 S227 E267	N222-G225 PolarHBondContact O-N 2.89Å; G225-S227 PolarHBondContact O-N 3.12Å; G225-S227 VanDerWaalsContact O-N 3.14Å; G225-E267 WeakPolarHBondContact CA-O 3.41Å; G225-E267 PolarHBondContact N-O 3.33Å
226	N	74.9	Confident	87.7	Confident	146 Å²	146	37.5 Å²	37.5	78%	0.781	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	13.9	178.3	-63.1	-21	0	0	0	113.3
227	S	82.4	Confident	87.7	Confident	23 Å²	23	34 Å²	34	16%	0.161	18%	0.181	C	C	.	.	S	Bend	trans	-92.6	140.9	-177.9	-84.4	0	0	0	0	111.8	N209 G225 L229 V264 A266	N209-S227 PolarHBondContact ND2-O 3.48Å; N209-S227 PolarHBondContact OD1-O 2.73Å; G225-S227 PolarHBondContact O-N 3.12Å; G225-S227 VanDerWaalsContact O-N 3.14Å; S227-L229 PolarHBondContact O-N 2.8Å; S227-V264 WeakPolarHBondContact OG-CB 3.49Å; S227-A266 WeakPolarHBondContact OG-CB 3.23Å
228	Q	88.1	Confident	87.8	Confident	121 Å²	121	28.4 Å²	28.4	57%	0.565	16%	0.157	S	C	*	.			trans	-81.1	94.5	168.4	-68.9	171.9	6.7	0	0	107.7	G207 H208	G207-Q228 WeakPolarHBondContact O-CB 2.9Å; H208-Q228 PolarHBondContact CE1-NE2 3.43Å
229	L	91.9	Very high	88	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.15	C	C	.	.			trans	-102.8	-9.9	177.1	-63.3	179.7	0	0	0	111.9	N209 F224 S227 W255 L260 V264 V268 F277 L321	N209-L229 PolarHBondContact OD1-N 2.68Å; F224-L229 HydrophobicContact CB-CD1 4.48Å; S227-L229 PolarHBondContact O-N 2.8Å; L229-W255 WeakPolarHBondContact O-CH2 3.25Å; L229-L260 VanDerWaalsContact O-CD1 3.25Å; L229-L260 WeakPolarHBondContact O-CD1 3.47Å; L229-V264 HydrophobicContact CD2-CG2 4.17Å; L229-V268 HydrophobicContact CD1-CG1 4.48Å; L229-F277 HydrophobicContact CB-CE1 3.73Å; L229-F277 HydrophobicContact CB-CZ 3.55Å; L229-F277 HydrophobicContact CD1-CZ 4.48Å; L229-F277 WeakPolarHBondContact O-CE1 3.26Å; L229-L321 HydrophobicContact CD1-CD1 4.41Å
230	G	95.3	Very high	88.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.			trans	73.4	37.1	174.3	0	0	0	0	0	114.3	G207 H208 N209 T232 I233 V234	G207-G230 WeakPolarHBondContact O-CA 3.27Å; G207-G230 PolarHBondContact O-N 3.02Å; H208-G230 WeakPolarHBondContact O-CA 3.4Å; N209-G230 PolarHBondContact OD1-N 2.94Å; N209-G230 VanDerWaalsContact OD1-N 3.12Å; G230-T232 VanDerWaalsContact C-N 3.35Å; G230-T232 PolarHBondContact O-N 2.93Å; G230-I233 WeakPolarHBondContact O-CA 3.09Å; G230-I233 VanDerWaalsContact O-CB 3.3Å; G230-I233 WeakPolarHBondContact O-CB 3.35Å; G230-I233 PolarHBondContact O-N 3.04Å; G230-V234 PolarHBondContact O-N 3.35Å
231	A	96.3	Very high	89.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-46.8	-52.3	-179.5	0	0	0	0	0	112.7	N209 F224 I233 V234 D235 F277	N209-A231 HydrophobicContact CB-CB 4.03Å; F224-A231 HydrophobicContact CD2-CB 4.38Å; F224-A231 HydrophobicContact CE2-CB 4.05Å; F224-A231 HydrophobicContact CZ-CB 4.3Å; A231-I233 PolarHBondContact O-N 3.49Å; A231-V234 PolarHBondContact O-N 3.01Å; A231-D235 WeakPolarHBondContact O-CB 3.48Å; A231-D235 PolarHBondContact O-N 3.33Å; A231-F277 VanDerWaalsContact CA-CZ 3.47Å; A231-F277 HydrophobicContact CB-CE2 3.62Å; A231-F277 HydrophobicContact CB-CZ 3.57Å
232	T	98.1	Very high	90.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-21.1	176.6	-61.6	0	0	0	0	114.3	Y201 N209 G230 A236 S596 L599	Y201-T232 HydrophobicContact CD1-CG2 3.99Å; Y201-T232 HydrophobicContact CD2-CG2 3.58Å; Y201-T232 HydrophobicContact CE1-CG2 4.27Å; Y201-T232 HydrophobicContact CE2-CG2 3.88Å; Y201-T232 HydrophobicContact CG-CG2 3.66Å; N209-T232 WeakPolarHBondContact O-CB 3.21Å; N209-T232 PolarHBondContact O-N 3.11Å; N209-T232 PolarHBondContact O-OG1 3.23Å; G230-T232 VanDerWaalsContact C-N 3.35Å; G230-T232 PolarHBondContact O-N 2.93Å; T232-A236 WeakPolarHBondContact O-CB 3.49Å; T232-S596 WeakPolarHBondContact OG1-CB 3.4Å; T232-L599 HydrophobicContact CG2-CD1 4.24Å; T232-L599 HydrophobicContact CG2-CD2 4.07Å
233	I	98.6	Very high	92.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-72.5	-53.8	168.9	-65.8	170.8	0	0	0	109.8	W198 Y201 W206 G230 A231 A236 L237 W255 I256	W198-I233 HydrophobicContact CH2-CG1 4.26Å; W198-I233 HydrophobicContact CH2-CG2 4.4Å; Y201-I233 HydrophobicContact CE1-CD1 4.14Å; Y201-I233 HydrophobicContact CE1-CG1 3.51Å; Y201-I233 WeakPolarHBondContact OH-CG1 3.46Å; W206-I233 HydrophobicContact CD2-CD1 4.09Å; W206-I233 HydrophobicContact CE3-CD1 3.95Å; W206-I233 HydrophobicContact CE3-CG1 4.19Å; W206-I233 HydrophobicContact CH2-CD1 4.04Å; W206-I233 HydrophobicContact CH2-CG1 4.22Å; W206-I233 HydrophobicContact CZ2-CD1 4.18Å; W206-I233 HydrophobicContact CZ3-CD1 3.93Å; W206-I233 HydrophobicContact CZ3-CG1 3.87Å; G230-I233 WeakPolarHBondContact O-CA 3.09Å; G230-I233 VanDerWaalsContact O-CB 3.3Å; G230-I233 WeakPolarHBondContact O-CB 3.35Å; G230-I233 PolarHBondContact O-N 3.04Å; A231-I233 PolarHBondContact O-N 3.49Å; I233-A236 PolarHBondContact O-N 3.45Å; I233-L237 WeakPolarHBondContact O-CG 3.19Å; I233-L237 PolarHBondContact O-N 3.49Å; I233-W255 HydrophobicContact CB-CE3 4.36Å; I233-W255 HydrophobicContact CD1-CB 4.18Å; I233-W255 HydrophobicContact CD1-CD2 3.38Å; I233-W255 HydrophobicContact CD1-CE3 3.55Å; I233-W255 HydrophobicContact CD1-CG 3.64Å; I233-W255 HydrophobicContact CD1-CZ3 4.21Å; I233-W255 HydrophobicContact CG2-CE3 4.16Å; I233-I256 HydrophobicContact CG2-CD1 4.22Å; I233-I256 HydrophobicContact CG2-CG1 4.19Å
234	V	98.4	Very high	93.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-49.3	-175.7	-176.2	0	0	0	0	111	G230 A231 A236 L237 I256 L260 F277 L281	G230-V234 PolarHBondContact O-N 3.35Å; A231-V234 PolarHBondContact O-N 3.01Å; V234-A236 PolarHBondContact O-N 2.94Å; V234-L237 PolarHBondContact O-N 3Å; V234-I256 HydrophobicContact CG2-CD1 3.87Å; V234-I256 HydrophobicContact CG2-CG1 4.41Å; V234-L260 HydrophobicContact CG2-CD2 4.24Å; V234-F277 HydrophobicContact CB-CD1 4.3Å; V234-F277 HydrophobicContact CG1-CD1 4.39Å; V234-F277 HydrophobicContact CG2-CD1 3.85Å; V234-F277 HydrophobicContact CG2-CE1 3.92Å; V234-L281 HydrophobicContact CG1-CD2 4.14Å; V234-L281 HydrophobicContact CG1-CG 3.79Å
235	D	98.4	Very high	94	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.4	-173.6	-50.2	-3.7	0	0	0	111.9	A231 R276 S596 A600 H628	A231-D235 WeakPolarHBondContact O-CB 3.48Å; A231-D235 PolarHBondContact O-N 3.33Å; D235-R276 WeakPolarHBondContact OD1-CB 3.46Å; D235-R276 WeakPolarHBondContact OD2-CD 3.23Å; D235-S596 WeakPolarHBondContact OD2-CB 3.27Å; D235-S596 PolarHBondContact OD2-OG 2.91Å; D235-A600 HydrophobicContact CB-CB 3.91Å; D235-A600 VanDerWaalsContact O-CA 3.3Å; D235-A600 WeakPolarHBondContact O-CA 3.26Å; D235-A600 WeakPolarHBondContact O-CB 3.4Å; D235-H628 PolarHBondContact O-CE1 3.09Å
236	A	98.8	Very high	95.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-15	178.4	0	0	0	0	0	114.1	M194 W198 T232 I233 V234 D238 T239 L240 L599	M194-A236 HydrophobicContact CE-CB 3.92Å; W198-A236 HydrophobicContact CE3-CB 4Å; W198-A236 HydrophobicContact CZ3-CB 3.74Å; T232-A236 WeakPolarHBondContact O-CB 3.49Å; I233-A236 PolarHBondContact O-N 3.45Å; V234-A236 PolarHBondContact O-N 2.94Å; A236-D238 PolarHBondContact O-N 3.15Å; A236-T239 WeakPolarHBondContact O-CB 3.4Å; A236-T239 PolarHBondContact O-N 3.21Å; A236-L240 HydrophobicContact CB-CD1 4.3Å; A236-L240 HydrophobicContact CB-CG 4.48Å; A236-L240 VanDerWaalsContact O-CG 3.28Å; A236-L240 WeakPolarHBondContact O-CG 3.39Å; A236-L240 PolarHBondContact O-N 3.04Å; A236-L599 HydrophobicContact CB-CB 4.1Å; A236-L599 HydrophobicContact CB-CD2 4.18Å
237	L	98.8	Very high	96.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.5	-50.1	-170.1	-76.4	-175.2	0	0	0	113.1	I233 V234 L240 Y241 F249 I256 A284 F293	I233-L237 WeakPolarHBondContact O-CG 3.19Å; I233-L237 PolarHBondContact O-N 3.49Å; V234-L237 PolarHBondContact O-N 3Å; L237-L240 PolarHBondContact O-N 2.95Å; L237-Y241 WeakPolarHBondContact O-CB 3.27Å; L237-Y241 PolarHBondContact O-N 3.27Å; L237-F249 HydrophobicContact CB-CD2 4.1Å; L237-F249 HydrophobicContact CB-CE2 3.96Å; L237-F249 HydrophobicContact CD2-CD2 3.92Å; L237-F249 HydrophobicContact CD2-CE2 4.17Å; L237-F249 HydrophobicContact CG-CE2 4.45Å; L237-F249 VanDerWaalsContact O-CD2 3.27Å; L237-F249 WeakPolarHBondContact O-CD2 3.39Å; L237-I256 HydrophobicContact CD1-CD1 3.71Å; L237-A284 HydrophobicContact CB-CB 4.01Å; L237-A284 HydrophobicContact CD1-CB 3.61Å; L237-F293 HydrophobicContact CD1-CD1 3.89Å; L237-F293 HydrophobicContact CD1-CE1 3.39Å; L237-F293 HydrophobicContact CD1-CZ 3.89Å
238	D	98.5	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.6	-37.8	-178.7	60.9	-6.6	0	0	0	111.7	A236 L240 Y241 I242 A283 L287 K604 H628 P629	A236-D238 PolarHBondContact O-N 3.15Å; D238-L240 PolarHBondContact O-N 3.35Å; D238-Y241 PolarHBondContact O-N 3.2Å; D238-I242 VanDerWaalsContact O-CB 3.3Å; D238-I242 WeakPolarHBondContact O-CB 3.33Å; D238-I242 WeakPolarHBondContact O-CD1 3.24Å; D238-I242 WeakPolarHBondContact O-CG1 3.49Å; D238-I242 PolarHBondContact O-N 3.25Å; D238-A283 HydrophobicContact CB-CB 4Å; D238-L287 HydrophobicContact CB-CD1 3.57Å; D238-K604 VanDerWaalsContact OD1-CE 3.28Å; D238-K604 WeakPolarHBondContact OD1-CE 3.25Å; D238-K604 IonicContact OD1-NZ 2.77Å; D238-K604 PolarHBondContact OD1-NZ 3.19Å; D238-K604 IonicContact OD2-NZ 3.78Å; D238-K604 PolarHBondContact OD2-NZ 2.97Å; D238-H628 IonicContact OD1-CE1 3.1Å; D238-H628 IonicContact OD1-ND1 2.63Å; D238-H628 PolarHBondContact OD1-ND1 2.9Å; D238-H628 WeakPolarHBondContact OD2-CA 3.48Å; D238-H628 IonicContact OD2-CE1 3.8Å; D238-H628 IonicContact OD2-CG 2.81Å; D238-H628 IonicContact OD2-ND1 3.13Å; D238-H628 PolarHBondContact OD2-ND1 2.66Å; D238-P629 WeakPolarHBondContact OD2-CD 3.47Å
239	T	98.8	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.1	-48.4	169.8	-51.8	0	0	0	0	111.4	M194 A236 Y241 I242 M243 L599 A600 K604	M194-T239 HydrophobicContact CE-CG2 3.6Å; M194-T239 HydrophobicContact CG-CG2 4.28Å; M194-T239 HydrophobicContact SD-CG2 3.83Å; A236-T239 WeakPolarHBondContact O-CB 3.4Å; A236-T239 PolarHBondContact O-N 3.21Å; T239-Y241 VanDerWaalsContact C-N 3.32Å; T239-Y241 PolarHBondContact O-N 3.41Å; T239-I242 PolarHBondContact O-N 3.42Å; T239-M243 HydrophobicContact CG2-CE 3.42Å; T239-M243 VanDerWaalsContact CG2-CE 3.42Å; T239-M243 HydrophobicContact CG2-CG 4.3Å; T239-M243 HydrophobicContact CG2-SD 4.03Å; T239-M243 VanDerWaalsContact O-CB 3.3Å; T239-M243 WeakPolarHBondContact O-CB 3.41Å; T239-M243 VanDerWaalsContact O-CG 3.24Å; T239-M243 WeakPolarHBondContact O-CG 3.49Å; T239-M243 PolarHBondContact O-N 3Å; T239-L599 WeakPolarHBondContact CB-O 3.39Å; T239-L599 WeakPolarHBondContact CG2-O 3.31Å; T239-L599 PolarHBondContact OG1-O 3.43Å; T239-A600 PolarHBondContact OG1-O 3Å; T239-K604 HydrophobicContact CG2-CB 4.23Å; T239-K604 WeakPolarHBondContact OG1-CE 3.28Å
240	L	98.6	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-44.6	177.9	-68.1	169.6	0	0	0	110.9	M194 W198 A236 L237 D238 M243 G244 L245 E248 F249	M194-L240 HydrophobicContact CE-CD2 3.6Å; M194-L240 HydrophobicContact CE-CG 3.76Å; M194-L240 HydrophobicContact CG-CD2 4.42Å; W198-L240 HydrophobicContact CD2-CD1 3.95Å; W198-L240 HydrophobicContact CD2-CD2 4.28Å; W198-L240 HydrophobicContact CE3-CD1 3.97Å; W198-L240 HydrophobicContact CG-CD2 4.21Å; W198-L240 HydrophobicContact CH2-CD1 3.75Å; W198-L240 HydrophobicContact CZ2-CD1 3.73Å; W198-L240 HydrophobicContact CZ3-CD1 3.89Å; A236-L240 HydrophobicContact CB-CD1 4.3Å; A236-L240 HydrophobicContact CB-CG 4.48Å; A236-L240 VanDerWaalsContact O-CG 3.28Å; A236-L240 WeakPolarHBondContact O-CG 3.39Å; A236-L240 PolarHBondContact O-N 3.04Å; L237-L240 PolarHBondContact O-N 2.95Å; D238-L240 PolarHBondContact O-N 3.35Å; L240-M243 PolarHBondContact O-N 3.26Å; L240-G244 PolarHBondContact O-N 3.19Å; L240-L245 HydrophobicContact CB-CB 4.23Å; L240-L245 HydrophobicContact CD2-CB 3.88Å; L240-L245 HydrophobicContact CD2-CD1 3.74Å; L240-L245 HydrophobicContact CD2-CG 4.47Å; L240-L245 WeakPolarHBondContact O-CA 3.41Å; L240-L245 WeakPolarHBondContact O-CB 3.39Å; L240-L245 PolarHBondContact O-N 2.67Å; L240-E248 HydrophobicContact CD1-CB 4.07Å; L240-E248 HydrophobicContact CD2-CB 3.79Å; L240-E248 HydrophobicContact CD2-CG 4.48Å; L240-E248 HydrophobicContact CG-CB 4.42Å; L240-F249 HydrophobicContact CB-CB 4.24Å
241	Y	97.8	Very high	97.9	Very high	57 Å²	57	24.2 Å²	24.2	22%	0.224	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-49.5	177.8	-160.2	-75.8	0	0	0	112.1	V173 L237 D238 T239 M243 G244 H246 F249 L287	V173-Y241 HydrophobicContact CG1-CD1 4.14Å; V173-Y241 HydrophobicContact CG1-CE1 3.7Å; L237-Y241 WeakPolarHBondContact O-CB 3.27Å; L237-Y241 PolarHBondContact O-N 3.27Å; D238-Y241 PolarHBondContact O-N 3.2Å; T239-Y241 VanDerWaalsContact C-N 3.32Å; T239-Y241 PolarHBondContact O-N 3.41Å; Y241-M243 PolarHBondContact O-N 3.42Å; Y241-G244 PolarHBondContact O-N 2.82Å; Y241-H246 PolarHBondContact O-CE1 3.45Å; Y241-F249 HydrophobicContact CD2-CD1 4.19Å; Y241-F249 AromaticContact CD2-CD2 3.95Å; Y241-F249 HydrophobicContact CD2-CD2 3.95Å; Y241-F249 HydrophobicContact CD2-CE1 4.07Å; Y241-F249 AromaticContact CD2-CE2 3.8Å; Y241-F249 HydrophobicContact CD2-CE2 3.8Å; Y241-F249 HydrophobicContact CD2-CG 4.13Å; Y241-F249 AromaticContact CD2-CZ 3.86Å; Y241-F249 HydrophobicContact CD2-CZ 3.86Å; Y241-F249 HydrophobicContact CE2-CE1 4.43Å; Y241-F249 HydrophobicContact CE2-CZ 4.43Å; Y241-F249 HydrophobicContact CG-CE2 4.46Å; Y241-L287 HydrophobicContact CD1-CB 3.98Å; Y241-L287 HydrophobicContact CD1-CD1 4.47Å; Y241-L287 HydrophobicContact CE1-CB 4.19Å; Y241-L287 HydrophobicContact CG-CB 4.19Å; Y241-L287 PolarHBondContact OH-O 3.08Å
242	I	97.3	Very high	98	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.041	12%	0.121	C	C	.	.	H	α-helix	trans	-61.2	-33	177.3	-69.3	165.5	0	0	0	111.7	D238 T239 G244 L287 K604 Y607 L608 L615 M616 P629	D238-I242 VanDerWaalsContact O-CB 3.3Å; D238-I242 WeakPolarHBondContact O-CB 3.33Å; D238-I242 WeakPolarHBondContact O-CD1 3.24Å; D238-I242 WeakPolarHBondContact O-CG1 3.49Å; D238-I242 PolarHBondContact O-N 3.25Å; T239-I242 PolarHBondContact O-N 3.42Å; I242-G244 VanDerWaalsContact C-N 3.3Å; I242-L287 HydrophobicContact CD1-CD1 4.47Å; I242-L287 HydrophobicContact CG1-CD1 4.32Å; I242-K604 HydrophobicContact CD1-CD 4.24Å; I242-K604 HydrophobicContact CD1-CG 4.4Å; I242-Y607 HydrophobicContact CG2-CD1 3.96Å; I242-Y607 HydrophobicContact CG2-CE1 3.75Å; I242-Y607 WeakPolarHBondContact O-CE1 3.43Å; I242-Y607 PolarHBondContact O-OH 3.25Å; I242-L608 HydrophobicContact CG2-CD2 4.39Å; I242-L615 HydrophobicContact CG2-CD2 4.26Å; I242-M616 HydrophobicContact CD1-CE 3.81Å; I242-M616 HydrophobicContact CG1-CE 3.53Å; I242-P629 HydrophobicContact CD1-CG 4.33Å
243	M	97.4	Very high	98	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7	176.3	-69	-167.1	-170.8	0	0	114.2	I190 R191 M194 T239 L240 Y241 L245 L603 Y607	I190-M243 HydrophobicContact CG2-CE 4.25Å; R191-M243 HydrophobicContact CB-SD 4.44Å; R191-M243 VanDerWaalsContact CZ-O 3.28Å; R191-M243 PolarHBondContact NE-O 2.91Å; R191-M243 PolarHBondContact NH2-O 3.24Å; M194-M243 HydrophobicContact CB-CE 3.98Å; M194-M243 HydrophobicContact CB-SD 3.43Å; M194-M243 WeakPolarHBondContact CB-SD 3.39Å; M194-M243 HydrophobicContact CG-CE 4.2Å; M194-M243 HydrophobicContact CG-SD 3.56Å; M194-M243 VanDerWaalsContact CG-SD 3.56Å; T239-M243 HydrophobicContact CG2-CE 3.42Å; T239-M243 VanDerWaalsContact CG2-CE 3.42Å; T239-M243 HydrophobicContact CG2-CG 4.3Å; T239-M243 HydrophobicContact CG2-SD 4.03Å; T239-M243 VanDerWaalsContact O-CB 3.3Å; T239-M243 WeakPolarHBondContact O-CB 3.41Å; T239-M243 VanDerWaalsContact O-CG 3.24Å; T239-M243 WeakPolarHBondContact O-CG 3.49Å; T239-M243 PolarHBondContact O-N 3Å; L240-M243 PolarHBondContact O-N 3.26Å; Y241-M243 PolarHBondContact O-N 3.42Å; M243-L245 VanDerWaalsContact C-N 3.29Å; M243-L245 HydrophobicContact CB-CD1 3.93Å; M243-L245 HydrophobicContact CB-CG 3.95Å; M243-L245 HydrophobicContact SD-CD1 4.43Å; M243-L603 HydrophobicContact CE-CB 4.14Å; M243-L603 VanDerWaalsContact CE-O 3.29Å; M243-L603 WeakPolarHBondContact CE-O 3.35Å; M243-Y607 WeakPolarHBondContact CA-OH 3.43Å; M243-Y607 HydrophobicContact CB-CE2 4.27Å; M243-Y607 HydrophobicContact CE-CD2 4.07Å; M243-Y607 HydrophobicContact CE-CG 3.91Å; M243-Y607 HydrophobicContact CG-CD1 4.16Å; M243-Y607 HydrophobicContact CG-CD2 3.8Å; M243-Y607 HydrophobicContact CG-CE1 4.11Å; M243-Y607 HydrophobicContact CG-CE2 3.75Å; M243-Y607 HydrophobicContact CG-CG 3.99Å; M243-Y607 HydrophobicContact SD-CD2 4.16Å; M243-Y607 HydrophobicContact SD-CG 4.49Å
244	G	96	Very high	98	Very high	38 Å²	38	29.3 Å²	29.3	39%	0.392	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	15.2	-174.7	0	0	0	0	0	114.1	L240 Y241 I242 H246	L240-G244 PolarHBondContact O-N 3.19Å; Y241-G244 PolarHBondContact O-N 2.82Å; I242-G244 VanDerWaalsContact C-N 3.3Å; G244-H246 PolarHBondContact O-CD2 2.94Å; G244-H246 PolarHBondContact O-N 2.96Å
245	L	97.6	Very high	98	Very high	18 Å²	18	30.6 Å²	30.6	9%	0.094	15%	0.15	C	C	.	.			trans	-84.1	62.1	179.1	-60.7	174.2	0	0	0	109.3	R191 M194 L240 M243 E248 F249	R191-L245 HydrophobicContact CG-CD2 4.46Å; M194-L245 HydrophobicContact CG-CD1 4.04Å; L240-L245 HydrophobicContact CB-CB 4.23Å; L240-L245 HydrophobicContact CD2-CB 3.88Å; L240-L245 HydrophobicContact CD2-CD1 3.74Å; L240-L245 HydrophobicContact CD2-CG 4.47Å; L240-L245 WeakPolarHBondContact O-CA 3.41Å; L240-L245 WeakPolarHBondContact O-CB 3.39Å; L240-L245 PolarHBondContact O-N 2.67Å; M243-L245 VanDerWaalsContact C-N 3.29Å; M243-L245 HydrophobicContact CB-CD1 3.93Å; M243-L245 HydrophobicContact CB-CG 3.95Å; M243-L245 HydrophobicContact SD-CD1 4.43Å; L245-E248 HydrophobicContact CB-CB 4.18Å; L245-E248 HydrophobicContact CB-CG 4.42Å; L245-E248 PolarHBondContact O-N 3.02Å; L245-F249 WeakPolarHBondContact O-CB 3.29Å; L245-F249 PolarHBondContact O-N 3.3Å
246	H	96.9	Very high	98	Very high	95 Å²	95	30.6 Å²	30.6	44%	0.44	15%	0.15	S	C	.	.	H	α-helix	trans	-75.3	-25	-167.7	-62.3	-55.6	0	0	0	114.3	Y241 G244 K250	Y241-H246 PolarHBondContact O-CE1 3.45Å; G244-H246 PolarHBondContact O-CD2 2.94Å; G244-H246 PolarHBondContact O-N 2.96Å; H246-K250 WeakPolarHBondContact O-CB 3.38Å; H246-K250 PolarHBondContact O-N 3.02Å
247	E	97.8	Very high	97.9	Very high	127 Å²	127	36.2 Å²	36.2	59%	0.593	18%	0.176	S	C	*	.	H	α-helix	trans	-72.2	-43.3	171.8	-64.2	-61	148.1	0	0	110.2	F249 K250 D251	E247-F249 PolarHBondContact O-N 3.24Å; E247-K250 WeakPolarHBondContact O-CB 3.35Å; E247-K250 PolarHBondContact O-N 2.99Å; E247-K250 VanDerWaalsContact O-N 3.12Å; E247-D251 PolarHBondContact O-N 3.38Å
248	E	98.4	Very high	97.7	Very high	22 Å²	22	42.8 Å²	42.8	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-41.6	173	-68.2	85.4	168.8	0	0	112.4	K195 W198 L240 L245 K250 D251 G252	K195-E248 IonicContact NZ-OE1 3.74Å; K195-E248 PolarHBondContact NZ-OE1 3.28Å; W198-E248 VanDerWaalsContact CD1-CG 3.47Å; W198-E248 WeakPolarHBondContact CZ2-O 3.43Å; L240-E248 HydrophobicContact CD1-CB 4.07Å; L240-E248 HydrophobicContact CD2-CB 3.79Å; L240-E248 HydrophobicContact CD2-CG 4.48Å; L240-E248 HydrophobicContact CG-CB 4.42Å; L245-E248 HydrophobicContact CB-CB 4.18Å; L245-E248 HydrophobicContact CB-CG 4.42Å; L245-E248 PolarHBondContact O-N 3.02Å; E248-K250 VanDerWaalsContact C-N 3.3Å; E248-K250 PolarHBondContact O-N 3.31Å; E248-D251 PolarHBondContact O-N 3.23Å; E248-G252 PolarHBondContact O-N 3.09Å
249	F	98.4	Very high	97.6	Very high	11 Å²	11	47.1 Å²	47.1	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-44.1	171.9	174.8	-93.4	0	0	0	111.6	L237 L240 Y241 L245 E247 G252 Q253 A284 F293	L237-F249 HydrophobicContact CB-CD2 4.1Å; L237-F249 HydrophobicContact CB-CE2 3.96Å; L237-F249 HydrophobicContact CD2-CD2 3.92Å; L237-F249 HydrophobicContact CD2-CE2 4.17Å; L237-F249 HydrophobicContact CG-CE2 4.45Å; L237-F249 VanDerWaalsContact O-CD2 3.27Å; L237-F249 WeakPolarHBondContact O-CD2 3.39Å; L240-F249 HydrophobicContact CB-CB 4.24Å; Y241-F249 HydrophobicContact CD2-CD1 4.19Å; Y241-F249 AromaticContact CD2-CD2 3.95Å; Y241-F249 HydrophobicContact CD2-CD2 3.95Å; Y241-F249 HydrophobicContact CD2-CE1 4.07Å; Y241-F249 AromaticContact CD2-CE2 3.8Å; Y241-F249 HydrophobicContact CD2-CE2 3.8Å; Y241-F249 HydrophobicContact CD2-CG 4.13Å; Y241-F249 AromaticContact CD2-CZ 3.86Å; Y241-F249 HydrophobicContact CD2-CZ 3.86Å; Y241-F249 HydrophobicContact CE2-CE1 4.43Å; Y241-F249 HydrophobicContact CE2-CZ 4.43Å; Y241-F249 HydrophobicContact CG-CE2 4.46Å; L245-F249 WeakPolarHBondContact O-CB 3.29Å; L245-F249 PolarHBondContact O-N 3.3Å; E247-F249 PolarHBondContact O-N 3.24Å; F249-G252 PolarHBondContact O-N 3.43Å; F249-Q253 PolarHBondContact O-N 3.18Å; F249-A284 HydrophobicContact CE2-CB 4.37Å; F249-F293 HydrophobicContact CE1-CE2 4.21Å; F249-F293 HydrophobicContact CE1-CZ 4.18Å; F249-F293 HydrophobicContact CE2-CE2 4.46Å; F249-F293 HydrophobicContact CE2-CZ 4.34Å; F249-F293 AromaticContact CZ-CE2 3.6Å; F249-F293 HydrophobicContact CZ-CE2 3.6Å; F249-F293 AromaticContact CZ-CZ 3.7Å; F249-F293 HydrophobicContact CZ-CZ 3.7Å
250	K	98.2	Very high	97.5	Very high	95 Å²	95	47.3 Å²	47.3	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-67.5	-39.1	-179.6	-180	-173.2	162.7	-149	0	112.1	H246 E247 E248 G252 Q253 E254	H246-K250 WeakPolarHBondContact O-CB 3.38Å; H246-K250 PolarHBondContact O-N 3.02Å; E247-K250 WeakPolarHBondContact O-CB 3.35Å; E247-K250 PolarHBondContact O-N 2.99Å; E247-K250 VanDerWaalsContact O-N 3.12Å; E248-K250 VanDerWaalsContact C-N 3.3Å; E248-K250 PolarHBondContact O-N 3.31Å; K250-G252 PolarHBondContact O-N 2.79Å; K250-Q253 WeakPolarHBondContact O-CB 3.42Å; K250-Q253 PolarHBondContact O-N 2.71Å; K250-Q253 VanDerWaalsContact O-N 3.16Å; K250-E254 WeakPolarHBondContact CE-OE1 3.46Å; K250-E254 IonicContact NZ-OE1 3.99Å; K250-E254 WeakPolarHBondContact O-CG 3.27Å; K250-E254 PolarHBondContact O-N 2.88Å
251	D	96.9	Very high	97.2	Very high	36 Å²	36	51.1 Å²	51.1	19%	0.193	25%	0.252	C	S	.	.	H	α-helix	trans	-55.6	-42.3	170.5	-68.4	-59.4	0	0	0	111.3	R202 W206 E247 E248 W255	R202-D251 VanDerWaalsContact CZ-CG 3.47Å; R202-D251 IonicContact CZ-OD1 3.72Å; R202-D251 IonicContact CZ-OD2 2.66Å; R202-D251 IonicContact NH1-OD1 2.68Å; R202-D251 IonicContact NH1-OD2 2.71Å; R202-D251 PolarHBondContact NH1-OD2 3.43Å; R202-D251 IonicContact NH2-OD1 3.43Å; R202-D251 PolarHBondContact NH2-OD1 3.28Å; R202-D251 IonicContact NH2-OD2 3.08Å; R202-D251 PolarHBondContact NH2-OD2 2.9Å; R202-D251 VanDerWaalsContact NH2-OD2 3.13Å; W206-D251 HydrophobicContact CH2-CB 3.97Å; W206-D251 HydrophobicContact CZ2-CB 4.25Å; W206-D251 WeakPolarHBondContact CZ2-O 3.28Å; E247-D251 PolarHBondContact O-N 3.38Å; E248-D251 PolarHBondContact O-N 3.23Å; D251-W255 PolarHBondContact O-N 3.49Å; D251-W255 VanDerWaalsContact O-N 3.1Å
252	G	98.3	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-41.9	174.8	0	0	0	0	0	113.3	E248 F249 K250 W255 I256	E248-G252 PolarHBondContact O-N 3.09Å; F249-G252 PolarHBondContact O-N 3.43Å; K250-G252 PolarHBondContact O-N 2.79Å; G252-W255 PolarHBondContact O-N 2.81Å; G252-I256 WeakPolarHBondContact O-CG1 3.31Å; G252-I256 PolarHBondContact O-N 3.05Å
253	Q	98.2	Very high	96.7	Very high	28 Å²	28	51.2 Å²	51.2	13%	0.131	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-50.8	174.7	-175	-176.8	-39.7	0	0	111.6	F249 K250 W255 I256 E257 V292 F293	F249-Q253 PolarHBondContact O-N 3.18Å; K250-Q253 WeakPolarHBondContact O-CB 3.42Å; K250-Q253 PolarHBondContact O-N 2.71Å; K250-Q253 VanDerWaalsContact O-N 3.16Å; Q253-W255 VanDerWaalsContact C-N 3.31Å; Q253-W255 PolarHBondContact O-N 3.14Å; Q253-I256 PolarHBondContact O-N 2.88Å; Q253-E257 PolarHBondContact O-N 3.09Å; Q253-V292 HydrophobicContact CG-CG1 4.15Å; Q253-F293 HydrophobicContact CB-CE1 4.26Å; Q253-F293 HydrophobicContact CB-CZ 3.78Å; Q253-F293 HydrophobicContact CG-CE1 4.13Å; Q253-F293 HydrophobicContact CG-CE2 4.37Å; Q253-F293 HydrophobicContact CG-CZ 3.63Å
254	E	98.1	Very high	96.3	Very high	80 Å²	80	52.9 Å²	52.9	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-39.3	179.7	-72.1	-176.8	-162.4	0	0	111.3	K250 Q258	K250-E254 WeakPolarHBondContact CE-OE1 3.46Å; K250-E254 IonicContact NZ-OE1 3.99Å; K250-E254 WeakPolarHBondContact O-CG 3.27Å; K250-E254 PolarHBondContact O-N 2.88Å; E254-Q258 WeakPolarHBondContact O-CB 3.44Å; E254-Q258 VanDerWaalsContact O-CG 3.25Å; E254-Q258 WeakPolarHBondContact O-CG 3.35Å; E254-Q258 PolarHBondContact O-N 2.97Å
255	W	98.3	Very high	96.1	Very high	26 Å²	26	56.8 Å²	56.8	10%	0.098	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-45.1	174.2	-174.6	88.1	0	0	0	112.3	W206 L229 I233 D251 G252 Q253 Q258 N259 L260	W206-W255 HydrophobicContact CZ2-CB 3.84Å; W206-W255 HydrophobicContact CZ2-CG 4.29Å; W206-W255 AromaticContact NE1-CD1 3.51Å; L229-W255 WeakPolarHBondContact O-CH2 3.25Å; I233-W255 HydrophobicContact CB-CE3 4.36Å; I233-W255 HydrophobicContact CD1-CB 4.18Å; I233-W255 HydrophobicContact CD1-CD2 3.38Å; I233-W255 HydrophobicContact CD1-CE3 3.55Å; I233-W255 HydrophobicContact CD1-CG 3.64Å; I233-W255 HydrophobicContact CD1-CZ3 4.21Å; I233-W255 HydrophobicContact CG2-CE3 4.16Å; D251-W255 PolarHBondContact O-N 3.49Å; D251-W255 VanDerWaalsContact O-N 3.1Å; G252-W255 PolarHBondContact O-N 2.81Å; Q253-W255 VanDerWaalsContact C-N 3.31Å; Q253-W255 PolarHBondContact O-N 3.14Å; W255-Q258 PolarHBondContact O-N 2.89Å; W255-N259 HydrophobicContact CD2-CB 4.06Å; W255-N259 HydrophobicContact CG-CB 4.37Å; W255-N259 HydrophobicContact CH2-CB 4.5Å; W255-N259 HydrophobicContact CZ2-CB 3.85Å; W255-N259 VanDerWaalsContact O-CB 3.29Å; W255-N259 WeakPolarHBondContact O-CB 3.13Å; W255-N259 PolarHBondContact O-N 2.82Å; W255-N259 PolarHBondContact O-ND2 3.46Å; W255-L260 HydrophobicContact CH2-CD1 4.35Å; W255-L260 HydrophobicContact CZ3-CB 4.04Å; W255-L260 HydrophobicContact CZ3-CD1 4.21Å
256	I	98.3	Very high	95.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-43	-179.8	-74.7	176.1	0	0	0	111.7	I233 V234 L237 G252 Q253 Q258 L260 L281 F293 K296	I233-I256 HydrophobicContact CG2-CD1 4.22Å; I233-I256 HydrophobicContact CG2-CG1 4.19Å; V234-I256 HydrophobicContact CG2-CD1 3.87Å; V234-I256 HydrophobicContact CG2-CG1 4.41Å; L237-I256 HydrophobicContact CD1-CD1 3.71Å; G252-I256 WeakPolarHBondContact O-CG1 3.31Å; G252-I256 PolarHBondContact O-N 3.05Å; Q253-I256 PolarHBondContact O-N 2.88Å; I256-Q258 PolarHBondContact O-N 3.35Å; I256-L260 HydrophobicContact CB-CB 4.49Å; I256-L260 HydrophobicContact CG1-CD2 4.16Å; I256-L260 HydrophobicContact CG2-CB 4.29Å; I256-L260 HydrophobicContact CG2-CD2 3.95Å; I256-L260 WeakPolarHBondContact O-CB 3.31Å; I256-L260 PolarHBondContact O-N 2.82Å; I256-L281 HydrophobicContact CD1-CD2 4.09Å; I256-L281 HydrophobicContact CG2-CD2 4.37Å; I256-F293 HydrophobicContact CD1-CD1 4.32Å; I256-F293 HydrophobicContact CD1-CE1 4.11Å; I256-F293 HydrophobicContact CG2-CD1 4.39Å; I256-K296 HydrophobicContact CG2-CD 4.38Å; I256-K296 HydrophobicContact CG2-CG 3.93Å; I256-K296 WeakPolarHBondContact O-CE 3.39Å; I256-K296 PolarHBondContact O-NZ 2.84Å
257	E	96.7	Very high	95.5	Very high	118 Å²	118	54.5 Å²	54.5	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-57.9	-49.9	177.1	-174.1	166.7	-157.3	0	0	110.7	Q253 V292 K296	Q253-E257 PolarHBondContact O-N 3.09Å; E257-V292 HydrophobicContact CB-CG2 4.13Å; E257-V292 HydrophobicContact CG-CG2 4.32Å; E257-K296 PolarHBondContact O-NZ 3.08Å
258	Q	96.2	Very high	95.4	Very high	139 Å²	139	48.5 Å²	48.5	65%	0.65	25%	0.245	S	C	*	.	H	α-helix	trans	-82.5	-32.5	-171.5	-63.6	169.7	32.1	0	0	114.9	E254 W255 I256	E254-Q258 WeakPolarHBondContact O-CB 3.44Å; E254-Q258 VanDerWaalsContact O-CG 3.25Å; E254-Q258 WeakPolarHBondContact O-CG 3.35Å; E254-Q258 PolarHBondContact O-N 2.97Å; W255-Q258 PolarHBondContact O-N 2.89Å; I256-Q258 PolarHBondContact O-N 3.35Å
259	N	95.9	Very high	95.3	Very high	90 Å²	90	47.5 Å²	47.5	48%	0.481	24%	0.24	S	C	.	.	H	α-helix	trans	-122.3	-24.7	-164.3	-55.6	-89.7	0	0	0	115.3	W255 D261	W255-N259 HydrophobicContact CD2-CB 4.06Å; W255-N259 HydrophobicContact CG-CB 4.37Å; W255-N259 HydrophobicContact CH2-CB 4.5Å; W255-N259 HydrophobicContact CZ2-CB 3.85Å; W255-N259 VanDerWaalsContact O-CB 3.29Å; W255-N259 WeakPolarHBondContact O-CB 3.13Å; W255-N259 PolarHBondContact O-N 2.82Å; W255-N259 PolarHBondContact O-ND2 3.46Å; N259-D261 PolarHBondContact O-N 2.99Å; N259-D261 VanDerWaalsContact O-N 3.07Å
260	L	95.8	Very high	95.3	Very high	4 Å²	4	47 Å²	47	2%	0.021	24%	0.238	C	C	.	.			trans	-75.8	101.4	-173.7	-175.4	56.8	0	0	0	111.5	L229 V234 W255 I256 F262 F277 K296	L229-L260 VanDerWaalsContact O-CD1 3.25Å; L229-L260 WeakPolarHBondContact O-CD1 3.47Å; V234-L260 HydrophobicContact CG2-CD2 4.24Å; W255-L260 HydrophobicContact CH2-CD1 4.35Å; W255-L260 HydrophobicContact CZ3-CB 4.04Å; W255-L260 HydrophobicContact CZ3-CD1 4.21Å; I256-L260 HydrophobicContact CB-CB 4.49Å; I256-L260 HydrophobicContact CG1-CD2 4.16Å; I256-L260 HydrophobicContact CG2-CB 4.29Å; I256-L260 HydrophobicContact CG2-CD2 3.95Å; I256-L260 WeakPolarHBondContact O-CB 3.31Å; I256-L260 PolarHBondContact O-N 2.82Å; L260-F262 HydrophobicContact CD1-CD1 4.41Å; L260-F262 HydrophobicContact CD1-CE1 3.65Å; L260-F262 HydrophobicContact CD1-CZ 3.96Å; L260-F262 HydrophobicContact CD2-CE1 4.15Å; L260-F262 HydrophobicContact CD2-CE2 4.45Å; L260-F262 HydrophobicContact CD2-CZ 3.62Å; L260-F262 HydrophobicContact CG-CE1 3.86Å; L260-F262 HydrophobicContact CG-CE2 4.28Å; L260-F262 HydrophobicContact CG-CZ 3.61Å; L260-F277 HydrophobicContact CD1-CE1 4.47Å; L260-K296 HydrophobicContact CB-CD 4.42Å; L260-K296 HydrophobicContact CD2-CD 4.49Å; L260-K296 HydrophobicContact CG-CD 4.49Å; L260-K296 PolarHBondContact O-NZ 3.26Å
261	D	92.6	Very high	95.3	Very high	81 Å²	81	44 Å²	44	43%	0.433	23%	0.225	S	C	.	.			trans	-121.1	128.4	175.5	172.8	38.9	0	0	0	112.4	N259 S263	N259-D261 PolarHBondContact O-N 2.99Å; N259-D261 VanDerWaalsContact O-N 3.07Å; D261-S263 VanDerWaalsContact CG-N 3.33Å; D261-S263 WeakPolarHBondContact OD1-CB 3.38Å; D261-S263 PolarHBondContact OD1-N 3.15Å; D261-S263 PolarHBondContact OD1-OG 3.09Å; D261-S263 VanDerWaalsContact OD2-CB 3.24Å; D261-S263 WeakPolarHBondContact OD2-CB 3.47Å; D261-S263 PolarHBondContact OD2-N 3.13Å
262	F	94.1	Very high	95.4	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.022	22%	0.223	C	C	.	.	S	Bend	trans	-94.2	12	177.6	-49.4	-63.4	0	0	0	113.2	L260 V264 F277 L281 K296 Q299 L300 K303	L260-F262 HydrophobicContact CD1-CD1 4.41Å; L260-F262 HydrophobicContact CD1-CE1 3.65Å; L260-F262 HydrophobicContact CD1-CZ 3.96Å; L260-F262 HydrophobicContact CD2-CE1 4.15Å; L260-F262 HydrophobicContact CD2-CE2 4.45Å; L260-F262 HydrophobicContact CD2-CZ 3.62Å; L260-F262 HydrophobicContact CG-CE1 3.86Å; L260-F262 HydrophobicContact CG-CE2 4.28Å; L260-F262 HydrophobicContact CG-CZ 3.61Å; F262-V264 PolarHBondContact O-N 3.01Å; F262-F277 HydrophobicContact CE1-CD1 4.46Å; F262-L281 HydrophobicContact CZ-CD1 4.46Å; F262-K296 HydrophobicContact CE2-CB 4.21Å; F262-K296 HydrophobicContact CE2-CD 4.43Å; F262-K296 WeakPolarHBondContact CE2-O 3.21Å; F262-Q299 HydrophobicContact CD2-CB 4.23Å; F262-L300 HydrophobicContact CB-CD1 4.46Å; F262-L300 HydrophobicContact CD1-CD1 3.67Å; F262-L300 HydrophobicContact CD1-CG 4.47Å; F262-L300 HydrophobicContact CD2-CB 3.97Å; F262-L300 HydrophobicContact CD2-CD1 4.41Å; F262-L300 HydrophobicContact CE1-CB 4.32Å; F262-L300 HydrophobicContact CE1-CD1 3.89Å; F262-L300 HydrophobicContact CE1-CD2 3.9Å; F262-L300 HydrophobicContact CE1-CG 4.26Å; F262-L300 HydrophobicContact CE2-CB 3.75Å; F262-L300 HydrophobicContact CG-CB 4.36Å; F262-L300 HydrophobicContact CG-CD1 3.93Å; F262-L300 HydrophobicContact CZ-CB 3.91Å; F262-L300 HydrophobicContact CZ-CD1 4.35Å; F262-L300 HydrophobicContact CZ-CD2 3.92Å; F262-L300 HydrophobicContact CZ-CG 4.29Å; F262-K303 HydrophobicContact CB-CG 4.12Å; F262-K303 PolarHBondContact O-NZ 3.41Å
263	S	90.7	Very high	95.3	Very high	62 Å²	62	43.9 Å²	43.9	43%	0.434	22%	0.223	S	C	.	.			trans	-85	8.4	177.6	-46.8	0	0	0	0	113.8	D261	D261-S263 VanDerWaalsContact CG-N 3.33Å; D261-S263 WeakPolarHBondContact OD1-CB 3.38Å; D261-S263 PolarHBondContact OD1-N 3.15Å; D261-S263 PolarHBondContact OD1-OG 3.09Å; D261-S263 VanDerWaalsContact OD2-CB 3.24Å; D261-S263 WeakPolarHBondContact OD2-CB 3.47Å; D261-S263 PolarHBondContact OD2-N 3.13Å
264	V	89.4	Confident	95.3	Very high	36 Å²	36	42.5 Å²	42.5	22%	0.218	22%	0.217	C	C	.	.	S	Bend	trans	-66.1	144.7	177.6	-66	0	0	0	0	113.2	S227 L229 F262 A266 L321 K322	S227-V264 WeakPolarHBondContact OG-CB 3.49Å; L229-V264 HydrophobicContact CD2-CG2 4.17Å; F262-V264 PolarHBondContact O-N 3.01Å; V264-A266 HydrophobicContact CB-CB 4.42Å; V264-A266 HydrophobicContact CG2-CB 3.86Å; V264-A266 PolarHBondContact O-N 3.41Å; V264-L321 HydrophobicContact CG2-CD1 3.98Å; V264-K322 WeakPolarHBondContact O-CB 3.41Å
265	N	91.6	Very high	95.4	Very high	120 Å²	120	38.9 Å²	38.9	64%	0.642	20%	0.2	S	C	*	.			trans	-82.4	54.5	171.3	-171	32.1	0	0	0	111.3	N320 K322	N265-N320 PolarHBondContact OD1-ND2 2.81Å; N265-N320 PolarHBondContact OD1-OD1 3.24Å; N265-K322 HydrophobicContact CB-CB 4.43Å; N265-K322 HydrophobicContact CB-CD 3.99Å
266	A	90.4	Very high	95.4	Very high	6 Å²	6	38.3 Å²	38.3	5%	0.05	20%	0.198	C	C	.	.			trans	-106.1	146	177.3	0	0	0	0	0	109.9	S227 V264 V268 N320 L321	S227-A266 WeakPolarHBondContact OG-CB 3.23Å; V264-A266 HydrophobicContact CB-CB 4.42Å; V264-A266 HydrophobicContact CG2-CB 3.86Å; V264-A266 PolarHBondContact O-N 3.41Å; A266-V268 HydrophobicContact CB-CG1 4.31Å; A266-N320 CarbonylContact O-C 3.53Å; A266-N320 VanDerWaalsContact O-CA 3.27Å; A266-N320 WeakPolarHBondContact O-CA 3.22Å; A266-L321 PolarHBondContact O-N 3.18Å
267	E	92.2	Very high	95.4	Very high	59 Å²	59	38.3 Å²	38.3	28%	0.276	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.7	166.1	-162.7	-164	73.7	0	0	108.1	G225 M318 V319 R327	G225-E267 WeakPolarHBondContact CA-O 3.41Å; G225-E267 PolarHBondContact N-O 3.33Å; E267-M318 HydrophobicContact CB-CE 4.49Å; E267-M318 HydrophobicContact CG-CB 4.08Å; E267-M318 HydrophobicContact CG-CE 4.06Å; E267-M318 WeakPolarHBondContact OE1-CE 3.45Å; E267-V319 WeakPolarHBondContact CA-O 3.32Å; E267-R327 VanDerWaalsContact CD-NE 3.26Å; E267-R327 IonicContact OE1-CZ 3.28Å; E267-R327 IonicContact OE1-NE 3.94Å; E267-R327 PolarHBondContact OE1-NE 3.15Å; E267-R327 IonicContact OE1-NH2 3.82Å; E267-R327 PolarHBondContact OE1-NH2 3Å; E267-R327 WeakPolarHBondContact OE2-CD 3.26Å; E267-R327 IonicContact OE2-CZ 2.91Å; E267-R327 IonicContact OE2-NE 2.71Å; E267-R327 PolarHBondContact OE2-NE 2.91Å; E267-R327 IonicContact OE2-NH2 3.29Å
268	V	95.1	Very high	95.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.4	-172.6	-52.6	0	0	0	0	111.1	I223 L229 A266 V273 M318 V319 L321	I223-V268 CarbonylContact O-C 3.34Å; I223-V268 WeakPolarHBondContact O-CA 3.39Å; L229-V268 HydrophobicContact CD1-CG1 4.48Å; A266-V268 HydrophobicContact CB-CG1 4.31Å; V268-V273 HydrophobicContact CB-CG2 3.78Å; V268-V273 HydrophobicContact CG1-CG2 4.48Å; V268-V273 HydrophobicContact CG2-CB 4.32Å; V268-V273 HydrophobicContact CG2-CG2 3.77Å; V268-M318 VanDerWaalsContact C-CE 3.41Å; V268-M318 CarbonylContact O-C 3.59Å; V268-M318 VanDerWaalsContact O-CA 3.27Å; V268-M318 WeakPolarHBondContact O-CA 3.48Å; V268-V319 HydrophobicContact CG2-CG1 4.26Å; V268-V319 PolarHBondContact N-O 2.84Å; V268-V319 PolarHBondContact O-N 2.82Å; V268-L321 HydrophobicContact CG1-CD1 3.83Å; V268-L321 HydrophobicContact CG1-CG 4.16Å; V268-L321 HydrophobicContact CG2-CD1 4.19Å; V268-L321 HydrophobicContact CG2-CD2 3.82Å; V268-L321 HydrophobicContact CG2-CG 3.9Å
269	S	97.1	Very high	95.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.9	170.9	173.5	0	0	0	0	109.9	I223 F271 E272 V273 A317 M318	I223-S269 PolarHBondContact O-N 2.94Å; S269-F271 VanDerWaalsContact C-N 3.33Å; S269-E272 WeakPolarHBondContact OG-CG 3.44Å; S269-E272 PolarHBondContact OG-N 2.85Å; S269-V273 VanDerWaalsContact O-CB 3.28Å; S269-V273 WeakPolarHBondContact O-CB 3.33Å; S269-V273 WeakPolarHBondContact O-CG2 3.46Å; S269-V273 PolarHBondContact O-N 3.44Å; S269-A317 WeakPolarHBondContact CA-O 3.38Å; S269-M318 VanDerWaalsContact CA-SD 3.52Å; S269-M318 PolarHBondContact N-SD 3.27Å
270	V	98.1	Very high	95.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-37.3	-178.1	177.1	0	0	0	0	110.8	N274 L304 A307 W316 A317 V319 L345	V270-N274 WeakPolarHBondContact O-CB 3.48Å; V270-N274 PolarHBondContact O-N 3.47Å; V270-L304 HydrophobicContact CG1-CD1 4.42Å; V270-A307 HydrophobicContact CG1-CB 4.21Å; V270-A307 HydrophobicContact CG2-CB 3.61Å; V270-W316 WeakPolarHBondContact CG2-O 3.29Å; V270-A317 PolarHBondContact N-O 2.9Å; V270-V319 HydrophobicContact CG2-CB 3.92Å; V270-V319 HydrophobicContact CG2-CG1 3.65Å; V270-L345 HydrophobicContact CG1-CD1 4.47Å; V270-L345 HydrophobicContact CG1-CD2 4.42Å
271	F	98.5	Very high	95.9	Very high	30 Å²	30	21.6 Å²	21.6	13%	0.132	12%	0.117	C	C	.	.	H	α-helix	trans	-64.5	-57.9	174.8	166.3	-113.6	0	0	0	111.3	S269 V273 N274 I275 E341 T344 T625	S269-F271 VanDerWaalsContact C-N 3.33Å; F271-V273 VanDerWaalsContact C-N 3.31Å; F271-V273 PolarHBondContact O-N 3.05Å; F271-N274 WeakPolarHBondContact O-CB 3.46Å; F271-N274 PolarHBondContact O-N 3.42Å; F271-I275 HydrophobicContact CD1-CD1 4.28Å; F271-I275 HydrophobicContact CD2-CD1 4.26Å; F271-I275 HydrophobicContact CD2-CG2 3.89Å; F271-I275 HydrophobicContact CE1-CD1 3.79Å; F271-I275 HydrophobicContact CE2-CD1 3.76Å; F271-I275 HydrophobicContact CE2-CG2 3.82Å; F271-I275 HydrophobicContact CZ-CD1 3.51Å; F271-I275 WeakPolarHBondContact O-CG2 3.4Å; F271-I275 PolarHBondContact O-N 3.45Å; F271-E341 HydrophobicContact CB-CB 3.81Å; F271-E341 HydrophobicContact CB-CG 3.84Å; F271-E341 HydrophobicContact CD1-CG 4.12Å; F271-E341 HydrophobicContact CG-CB 4.22Å; F271-E341 HydrophobicContact CG-CG 4.03Å; F271-T344 HydrophobicContact CE2-CG2 3.91Å; F271-T625 HydrophobicContact CE2-CG2 4.42Å
272	E	97.6	Very high	96.2	Very high	32 Å²	32	17.8 Å²	17.8	15%	0.15	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-41.3	-177.1	-58.5	-78.9	-167.9	0	0	111.6	I223 F224 S269 R276	I223-E272 HydrophobicContact CB-CG 4.21Å; I223-E272 HydrophobicContact CD1-CB 4.39Å; I223-E272 HydrophobicContact CD1-CG 4.01Å; F224-E272 HydrophobicContact CE1-CB 3.85Å; F224-E272 HydrophobicContact CZ-CB 4.38Å; S269-E272 WeakPolarHBondContact OG-CG 3.44Å; S269-E272 PolarHBondContact OG-N 2.85Å; E272-R276 VanDerWaalsContact O-CB 3.25Å; E272-R276 WeakPolarHBondContact O-CB 3.5Å; E272-R276 VanDerWaalsContact O-CG 3.24Å; E272-R276 WeakPolarHBondContact O-CG 3.29Å; E272-R276 PolarHBondContact O-N 2.9Å; E272-R276 VanDerWaalsContact O-N 3.15Å; E272-R276 IonicContact OE1-NH2 2.63Å; E272-R276 IonicContact OE2-CZ 2.74Å; E272-R276 VanDerWaalsContact OE2-CZ 3.23Å; E272-R276 IonicContact OE2-NE 2.75Å; E272-R276 PolarHBondContact OE2-NE 3.35Å; E272-R276 IonicContact OE2-NH2 3.16Å; E272-R276 PolarHBondContact OE2-NH2 3.01Å
273	V	96.9	Very high	96.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	10%	0.096	C	C	.	.	I	π-helix	trans	-75.7	-24.4	178.6	174	0	0	0	0	112.4	F224 V268 S269 F271 F277 I278 L300 L304	F224-V273 HydrophobicContact CD1-CG2 3.84Å; F224-V273 HydrophobicContact CE1-CG2 4.22Å; V268-V273 HydrophobicContact CB-CG2 3.78Å; V268-V273 HydrophobicContact CG1-CG2 4.48Å; V268-V273 HydrophobicContact CG2-CB 4.32Å; V268-V273 HydrophobicContact CG2-CG2 3.77Å; S269-V273 VanDerWaalsContact O-CB 3.28Å; S269-V273 WeakPolarHBondContact O-CB 3.33Å; S269-V273 WeakPolarHBondContact O-CG2 3.46Å; S269-V273 PolarHBondContact O-N 3.44Å; F271-V273 VanDerWaalsContact C-N 3.31Å; F271-V273 PolarHBondContact O-N 3.05Å; V273-F277 HydrophobicContact CG1-CB 4.4Å; V273-F277 HydrophobicContact CG2-CD2 4.4Å; V273-F277 WeakPolarHBondContact O-CB 3.4Å; V273-F277 PolarHBondContact O-N 3.03Å; V273-I278 PolarHBondContact O-N 3.08Å; V273-L300 HydrophobicContact CG1-CD1 3.64Å; V273-L300 HydrophobicContact CG1-CD2 3.7Å; V273-L300 HydrophobicContact CG1-CG 3.94Å; V273-L304 HydrophobicContact CG1-CD1 4.34Å; V273-L304 HydrophobicContact CG1-CD2 4.26Å
274	N	98.8	Very high	96.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	I	π-helix	trans	-71.2	-59.1	170.1	177.5	79.4	0	0	0	111.1	V270 F271 R276 I278 G279 L304 T344 L345 E348 F349	V270-N274 WeakPolarHBondContact O-CB 3.48Å; V270-N274 PolarHBondContact O-N 3.47Å; F271-N274 WeakPolarHBondContact O-CB 3.46Å; F271-N274 PolarHBondContact O-N 3.42Å; N274-R276 PolarHBondContact O-N 2.71Å; N274-I278 WeakPolarHBondContact O-CA 3.3Å; N274-I278 VanDerWaalsContact O-CB 3.3Å; N274-I278 WeakPolarHBondContact O-CB 3.28Å; N274-I278 PolarHBondContact O-N 3.25Å; N274-I278 VanDerWaalsContact O-N 3.17Å; N274-G279 PolarHBondContact O-N 3.01Å; N274-L304 HydrophobicContact CB-CD1 4.38Å; N274-T344 PolarHBondContact ND2-O 3.29Å; N274-L345 HydrophobicContact CB-CD2 3.55Å; N274-E348 PolarHBondContact ND2-OE2 2.87Å; N274-E348 WeakPolarHBondContact OD1-CB 3.29Å; N274-F349 WeakPolarHBondContact OD1-CD2 3.21Å; N274-F349 VanDerWaalsContact OD1-CE2 3.27Å; N274-F349 WeakPolarHBondContact OD1-CE2 3.38Å
275	I	98.8	Very high	97.1	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.015	7%	0.066	C	C	.	.	I	π-helix	trans	-66.1	-39.7	-169.3	70.9	-172.1	0	0	0	111.5	F271 G279 T344 N624 T625 E626 H628	F271-I275 HydrophobicContact CD1-CD1 4.28Å; F271-I275 HydrophobicContact CD2-CD1 4.26Å; F271-I275 HydrophobicContact CD2-CG2 3.89Å; F271-I275 HydrophobicContact CE1-CD1 3.79Å; F271-I275 HydrophobicContact CE2-CD1 3.76Å; F271-I275 HydrophobicContact CE2-CG2 3.82Å; F271-I275 HydrophobicContact CZ-CD1 3.51Å; F271-I275 WeakPolarHBondContact O-CG2 3.4Å; F271-I275 PolarHBondContact O-N 3.45Å; I275-G279 WeakPolarHBondContact O-CA 3.45Å; I275-T344 HydrophobicContact CG2-CG2 4.15Å; I275-N624 PolarHBondContact O-ND2 2.93Å; I275-T625 HydrophobicContact CB-CG2 3.56Å; I275-T625 HydrophobicContact CD1-CG2 3.83Å; I275-T625 HydrophobicContact CG1-CG2 4.2Å; I275-T625 HydrophobicContact CG2-CG2 3.35Å; I275-E626 HydrophobicContact CG1-CB 4.3Å; I275-H628 PolarHBondContact O-CD2 3.42Å; I275-H628 VanDerWaalsContact O-CD2 3.28Å
276	R	98.4	Very high	97.4	Very high	14 Å²	14	7.7 Å²	7.7	5%	0.053	4%	0.036	C	C	.	.	I	π-helix	trans	-85.1	-65.1	-177.4	-53.9	-165.4	-155.9	-132.9	-0.7	112.1	D235 E272 N274 G280 S596 E626	D235-R276 WeakPolarHBondContact OD1-CB 3.46Å; D235-R276 WeakPolarHBondContact OD2-CD 3.23Å; E272-R276 VanDerWaalsContact O-CB 3.25Å; E272-R276 WeakPolarHBondContact O-CB 3.5Å; E272-R276 VanDerWaalsContact O-CG 3.24Å; E272-R276 WeakPolarHBondContact O-CG 3.29Å; E272-R276 PolarHBondContact O-N 2.9Å; E272-R276 VanDerWaalsContact O-N 3.15Å; E272-R276 IonicContact OE1-NH2 2.63Å; E272-R276 IonicContact OE2-CZ 2.74Å; E272-R276 VanDerWaalsContact OE2-CZ 3.23Å; E272-R276 IonicContact OE2-NE 2.75Å; E272-R276 PolarHBondContact OE2-NE 3.35Å; E272-R276 IonicContact OE2-NH2 3.16Å; E272-R276 PolarHBondContact OE2-NH2 3.01Å; N274-R276 PolarHBondContact O-N 2.71Å; R276-G280 WeakPolarHBondContact O-CA 3.45Å; R276-G280 PolarHBondContact O-N 2.85Å; R276-S596 PolarHBondContact NH1-OG 2.84Å; R276-S596 VanDerWaalsContact NH1-OG 3.12Å; R276-E626 WeakPolarHBondContact CD-OE1 3.46Å; R276-E626 HydrophobicContact CG-CB 4.44Å; R276-E626 HydrophobicContact CG-CG 4Å; R276-E626 WeakPolarHBondContact CG-OE1 3.26Å; R276-E626 VanDerWaalsContact CG-OE2 3.29Å; R276-E626 WeakPolarHBondContact CG-OE2 3.35Å; R276-E626 IonicContact CZ-OE1 3.6Å; R276-E626 IonicContact CZ-OE2 2.76Å; R276-E626 IonicContact NE-OE1 3.69Å; R276-E626 PolarHBondContact NE-OE1 3.25Å; R276-E626 IonicContact NE-OE2 2.81Å; R276-E626 PolarHBondContact NE-OE2 2.69Å; R276-E626 IonicContact NH1-OE1 2.8Å; R276-E626 PolarHBondContact NH1-OE1 2.91Å; R276-E626 IonicContact NH1-OE2 3.46Å; R276-E626 IonicContact NH2-OE2 3.25Å
277	F	98.3	Very high	97.6	Very high	1 Å²	1	8 Å²	8	0%	0.004	4%	0.037	C	C	.	.	I	π-helix	trans	-72.2	-47.3	-173.2	-74.7	-101.4	0	0	0	112.8	F224 L229 A231 V234 L260 F262 V273 L281 L300	F224-F277 HydrophobicContact CD1-CD2 4.45Å; F224-F277 AromaticContact CD1-CE2 3.73Å; F224-F277 HydrophobicContact CD1-CE2 3.73Å; F224-F277 HydrophobicContact CE1-CD2 4.27Å; F224-F277 AromaticContact CE1-CE2 3.76Å; F224-F277 HydrophobicContact CE1-CE2 3.76Å; F224-F277 HydrophobicContact CG-CE2 4.35Å; F224-F277 HydrophobicContact CZ-CE2 4.41Å; L229-F277 HydrophobicContact CB-CE1 3.73Å; L229-F277 HydrophobicContact CB-CZ 3.55Å; L229-F277 HydrophobicContact CD1-CZ 4.48Å; L229-F277 WeakPolarHBondContact O-CE1 3.26Å; A231-F277 VanDerWaalsContact CA-CZ 3.47Å; A231-F277 HydrophobicContact CB-CE2 3.62Å; A231-F277 HydrophobicContact CB-CZ 3.57Å; V234-F277 HydrophobicContact CB-CD1 4.3Å; V234-F277 HydrophobicContact CG1-CD1 4.39Å; V234-F277 HydrophobicContact CG2-CD1 3.85Å; V234-F277 HydrophobicContact CG2-CE1 3.92Å; L260-F277 HydrophobicContact CD1-CE1 4.47Å; F262-F277 HydrophobicContact CE1-CD1 4.46Å; V273-F277 HydrophobicContact CG1-CB 4.4Å; V273-F277 HydrophobicContact CG2-CD2 4.4Å; V273-F277 WeakPolarHBondContact O-CB 3.4Å; V273-F277 PolarHBondContact O-N 3.03Å; F277-L281 WeakPolarHBondContact O-CB 3.33Å; F277-L281 VanDerWaalsContact O-CD1 3.29Å; F277-L281 WeakPolarHBondContact O-CD1 3.42Å; F277-L281 WeakPolarHBondContact O-CG 3.26Å; F277-L281 PolarHBondContact O-N 2.96Å; F277-L281 VanDerWaalsContact O-N 3.09Å; F277-L300 HydrophobicContact CB-CD2 3.38Å; F277-L300 HydrophobicContact CG-CD2 4.24Å
278	I	98.8	Very high	97.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-72.7	-42.8	178.9	-56.1	180	0	0	0	109.8	V273 N274 L282 A297 L300 A301 L304 E348 L352	V273-I278 PolarHBondContact O-N 3.08Å; N274-I278 WeakPolarHBondContact O-CA 3.3Å; N274-I278 VanDerWaalsContact O-CB 3.3Å; N274-I278 WeakPolarHBondContact O-CB 3.28Å; N274-I278 PolarHBondContact O-N 3.25Å; N274-I278 VanDerWaalsContact O-N 3.17Å; I278-L282 HydrophobicContact CG2-CD1 3.82Å; I278-L282 HydrophobicContact CG2-CG 4.23Å; I278-L282 VanDerWaalsContact O-CB 3.32Å; I278-L282 WeakPolarHBondContact O-CB 3.42Å; I278-L282 WeakPolarHBondContact O-CG 3.3Å; I278-L282 PolarHBondContact O-N 2.86Å; I278-A297 HydrophobicContact CG2-CB 4.45Å; I278-L300 HydrophobicContact CD1-CD2 4.48Å; I278-L300 HydrophobicContact CD1-CG 4.21Å; I278-L300 HydrophobicContact CG1-CB 4.36Å; I278-L300 HydrophobicContact CG1-CD2 3.71Å; I278-L300 HydrophobicContact CG1-CG 3.94Å; I278-A301 HydrophobicContact CD1-CB 4.1Å; I278-L304 HydrophobicContact CD1-CD1 3.66Å; I278-E348 HydrophobicContact CB-CB 4.47Å; I278-E348 HydrophobicContact CG2-CB 3.9Å; I278-E348 HydrophobicContact CG2-CG 4.44Å; I278-L352 HydrophobicContact CD1-CD1 4.39Å; I278-L352 HydrophobicContact CG2-CD1 3.83Å; I278-L352 HydrophobicContact CG2-CD2 4.43Å; I278-L352 HydrophobicContact CG2-CG 4.23Å
279	G	98.8	Very high	97.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-55.9	-55.9	174	0	0	0	0	0	113.3	N274 I275 L281 L282 A283	N274-G279 PolarHBondContact O-N 3.01Å; I275-G279 WeakPolarHBondContact O-CA 3.45Å; G279-L281 PolarHBondContact O-N 3.15Å; G279-L282 PolarHBondContact O-N 2.63Å; G279-A283 PolarHBondContact O-N 3.49Å
280	G	98.8	Very high	97.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.6	-38.9	-179.6	0	0	0	0	0	113.9	R276 A284 H628	R276-G280 WeakPolarHBondContact O-CA 3.45Å; R276-G280 PolarHBondContact O-N 2.85Å; G280-A284 WeakPolarHBondContact O-CB 3.43Å; G280-A284 PolarHBondContact O-N 2.89Å; G280-H628 WeakPolarHBondContact CA-ND1 3.26Å; G280-H628 PolarHBondContact N-CD2 3.26Å; G280-H628 VanDerWaalsContact N-CD2 3.33Å
281	L	98.9	Very high	97.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.7	-35.7	173.2	-70.2	170.1	0	0	0	112.4	V234 I256 F262 F277 G279 Y285 F293 K296 A297	V234-L281 HydrophobicContact CG1-CD2 4.14Å; V234-L281 HydrophobicContact CG1-CG 3.79Å; I256-L281 HydrophobicContact CD1-CD2 4.09Å; I256-L281 HydrophobicContact CG2-CD2 4.37Å; F262-L281 HydrophobicContact CZ-CD1 4.46Å; F277-L281 WeakPolarHBondContact O-CB 3.33Å; F277-L281 VanDerWaalsContact O-CD1 3.29Å; F277-L281 WeakPolarHBondContact O-CD1 3.42Å; F277-L281 WeakPolarHBondContact O-CG 3.26Å; F277-L281 PolarHBondContact O-N 2.96Å; F277-L281 VanDerWaalsContact O-N 3.09Å; G279-L281 PolarHBondContact O-N 3.15Å; L281-Y285 WeakPolarHBondContact O-CB 3.42Å; L281-Y285 PolarHBondContact O-N 3.43Å; L281-F293 HydrophobicContact CB-CB 4.41Å; L281-F293 HydrophobicContact CD2-CB 4.09Å; L281-F293 HydrophobicContact CD2-CD1 3.88Å; L281-F293 HydrophobicContact CD2-CG 4.47Å; L281-F293 VanDerWaalsContact O-CB 3.25Å; L281-F293 WeakPolarHBondContact O-CB 3.48Å; L281-K296 HydrophobicContact CD1-CB 3.79Å; L281-K296 HydrophobicContact CD2-CB 4.23Å; L281-A297 HydrophobicContact CB-CB 3.88Å; L281-A297 HydrophobicContact CD1-CB 4.37Å
282	L	98.6	Very high	97.1	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-68.6	-46.3	174.4	-73.8	172	0	0	0	111.3	I278 G279 Y285 Y286 A297 E348 H351 L355 L630	I278-L282 HydrophobicContact CG2-CD1 3.82Å; I278-L282 HydrophobicContact CG2-CG 4.23Å; I278-L282 VanDerWaalsContact O-CB 3.32Å; I278-L282 WeakPolarHBondContact O-CB 3.42Å; I278-L282 WeakPolarHBondContact O-CG 3.3Å; I278-L282 PolarHBondContact O-N 2.86Å; G279-L282 PolarHBondContact O-N 2.63Å; L282-Y285 WeakPolarHBondContact O-CB 3.13Å; L282-Y285 PolarHBondContact O-N 3.33Å; L282-Y286 HydrophobicContact CB-CD2 4.49Å; L282-Y286 HydrophobicContact CB-CE2 4.28Å; L282-Y286 HydrophobicContact CD2-CE2 4.42Å; L282-Y286 WeakPolarHBondContact O-CD2 3.4Å; L282-Y286 PolarHBondContact O-N 2.86Å; L282-A297 HydrophobicContact CD2-CB 4.43Å; L282-A297 HydrophobicContact CG-CB 4.45Å; L282-E348 HydrophobicContact CD1-CB 4.12Å; L282-H351 HydrophobicContact CD1-CB 3.89Å; L282-H351 HydrophobicContact CD2-CB 4.4Å; L282-L355 HydrophobicContact CD2-CD1 3.55Å; L282-L630 HydrophobicContact CB-CD2 3.59Å; L282-L630 HydrophobicContact CD1-CD2 4.41Å
283	A	98.4	Very high	97.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.7	-47.5	175.8	0	0	0	0	0	111.6	D238 G279 Y285 Y286 L287 H628 P629	D238-A283 HydrophobicContact CB-CB 4Å; G279-A283 PolarHBondContact O-N 3.49Å; A283-Y285 VanDerWaalsContact C-N 3.25Å; A283-Y285 PolarHBondContact O-N 2.84Å; A283-Y286 PolarHBondContact O-N 3.32Å; A283-Y286 VanDerWaalsContact O-N 3.12Å; A283-L287 WeakPolarHBondContact O-CB 3.1Å; A283-L287 VanDerWaalsContact O-CG 3.26Å; A283-L287 WeakPolarHBondContact O-CG 3.42Å; A283-L287 PolarHBondContact O-N 2.9Å; A283-H628 HydrophobicContact CB-CB 3.95Å; A283-P629 HydrophobicContact CB-CG 4.39Å
284	A	98.3	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.5	-37.5	175	0	0	0	0	0	112.4	L237 F249 G280 S288 F293	L237-A284 HydrophobicContact CB-CB 4.01Å; L237-A284 HydrophobicContact CD1-CB 3.61Å; F249-A284 HydrophobicContact CE2-CB 4.37Å; G280-A284 WeakPolarHBondContact O-CB 3.43Å; G280-A284 PolarHBondContact O-N 2.89Å; A284-S288 VanDerWaalsContact O-CB 3.32Å; A284-S288 WeakPolarHBondContact O-CB 3.34Å; A284-S288 PolarHBondContact O-N 2.77Å; A284-S288 VanDerWaalsContact O-N 3.08Å; A284-S288 PolarHBondContact O-OG 3.45Å; A284-F293 HydrophobicContact CB-CB 4.32Å; A284-F293 HydrophobicContact CB-CD1 4.16Å; A284-F293 HydrophobicContact CB-CD2 3.77Å; A284-F293 HydrophobicContact CB-CE1 4.4Å; A284-F293 HydrophobicContact CB-CE2 4.03Å; A284-F293 HydrophobicContact CB-CG 3.83Å; A284-F293 HydrophobicContact CB-CZ 4.32Å
285	Y	97.5	Very high	96.9	Very high	5 Å²	5	17.5 Å²	17.5	2%	0.02	10%	0.1	C	C	.	.	H	α-helix	trans	-64.8	-49.8	172.1	176.4	-112.5	0	0	0	112.7	M167 L281 L282 A283 L287 S288 G289 Q290 E291 K294 L355	M167-Y285 HydrophobicContact CE-CD1 4.08Å; M167-Y285 HydrophobicContact CE-CE1 3.71Å; M167-Y285 HydrophobicContact CE-CE2 4.48Å; M167-Y285 HydrophobicContact SD-CD1 4.3Å; M167-Y285 HydrophobicContact SD-CE1 3.38Å; M167-Y285 WeakPolarHBondContact SD-CE1 3.38Å; M167-Y285 VanDerWaalsContact SD-CZ 3.53Å; M167-Y285 PolarHBondContact SD-OH 2.89Å; L281-Y285 WeakPolarHBondContact O-CB 3.42Å; L281-Y285 PolarHBondContact O-N 3.43Å; L282-Y285 WeakPolarHBondContact O-CB 3.13Å; L282-Y285 PolarHBondContact O-N 3.33Å; A283-Y285 VanDerWaalsContact C-N 3.25Å; A283-Y285 PolarHBondContact O-N 2.84Å; Y285-L287 VanDerWaalsContact C-N 3.31Å; Y285-L287 PolarHBondContact O-N 2.71Å; Y285-S288 PolarHBondContact O-N 3.34Å; Y285-G289 WeakPolarHBondContact O-CA 3.27Å; Y285-G289 PolarHBondContact O-N 2.72Å; Y285-Q290 WeakPolarHBondContact CD2-O 3.44Å; Y285-E291 HydrophobicContact CE2-CG 4.34Å; Y285-E291 VanDerWaalsContact CE2-OE1 3.26Å; Y285-E291 WeakPolarHBondContact CE2-OE1 3.27Å; Y285-E291 PolarHBondContact OH-OE1 3.38Å; Y285-K294 HydrophobicContact CD1-CB 4.05Å; Y285-K294 HydrophobicContact CD1-CD 4.26Å; Y285-K294 HydrophobicContact CD2-CB 3.59Å; Y285-K294 HydrophobicContact CD2-CD 4.28Å; Y285-K294 HydrophobicContact CE1-CB 4.25Å; Y285-K294 HydrophobicContact CE1-CD 3.64Å; Y285-K294 HydrophobicContact CE1-CG 4.48Å; Y285-K294 HydrophobicContact CE2-CB 3.83Å; Y285-K294 HydrophobicContact CE2-CD 3.67Å; Y285-K294 HydrophobicContact CE2-CG 4.44Å; Y285-K294 HydrophobicContact CG-CB 3.69Å; Y285-K294 VanDerWaalsContact OH-CD 3.29Å; Y285-K294 WeakPolarHBondContact OH-CD 3.35Å; Y285-K294 PolarHBondContact OH-NZ 3.28Å; Y285-K294 VanDerWaalsContact OH-NZ 3.09Å; Y285-L355 HydrophobicContact CD1-CD1 3.84Å; Y285-L355 HydrophobicContact CD1-CD2 4.42Å; Y285-L355 HydrophobicContact CE1-CD1 3.88Å; Y285-L355 HydrophobicContact CE1-CD2 3.7Å; Y285-L355 HydrophobicContact CE1-CG 4.45Å
286	Y	96.3	Very high	96.9	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.02	11%	0.105	C	C	.	.	H	α-helix	trans	-66.2	-31.9	-178	-71.1	-60.5	0	0	0	113.2	M167 P168 L282 A283 H351 L355 L630 P631	M167-Y286 HydrophobicContact CE-CD1 3.9Å; M167-Y286 HydrophobicContact SD-CD1 4.39Å; P168-Y286 HydrophobicContact CG-CE1 4.13Å; L282-Y286 HydrophobicContact CB-CD2 4.49Å; L282-Y286 HydrophobicContact CB-CE2 4.28Å; L282-Y286 HydrophobicContact CD2-CE2 4.42Å; L282-Y286 WeakPolarHBondContact O-CD2 3.4Å; L282-Y286 PolarHBondContact O-N 2.86Å; A283-Y286 PolarHBondContact O-N 3.32Å; A283-Y286 VanDerWaalsContact O-N 3.12Å; Y286-H351 AromaticContact CE2-ND1 3.63Å; Y286-H351 AromaticContact CZ-ND1 3.52Å; Y286-H351 PolarHBondContact OH-ND1 2.89Å; Y286-L355 HydrophobicContact CE1-CD1 4.49Å; Y286-L355 HydrophobicContact CE1-CD2 4.09Å; Y286-L355 HydrophobicContact CE2-CD1 4.46Å; Y286-L355 WeakPolarHBondContact OH-CD1 3.39Å; Y286-L355 WeakPolarHBondContact OH-CG 3.47Å; Y286-L630 HydrophobicContact CD2-CD2 4.24Å; Y286-L630 HydrophobicContact CE2-CD2 4.28Å; Y286-P631 HydrophobicContact CD1-CG 3.68Å; Y286-P631 HydrophobicContact CD2-CG 3.89Å; Y286-P631 HydrophobicContact CE1-CG 3.79Å; Y286-P631 HydrophobicContact CE2-CG 4.01Å; Y286-P631 HydrophobicContact CG-CG 3.74Å
287	L	94.9	Very high	96.9	Very high	12 Å²	12	17.9 Å²	17.9	6%	0.063	10%	0.103	C	C	.	.	H	α-helix	trans	-78.4	-39.8	177.5	-63.1	175.8	0	0	0	113.2	V173 D238 Y241 I242 A283 Y285 M616 W621	V173-L287 HydrophobicContact CG1-CD2 3.85Å; V173-L287 HydrophobicContact CG2-CD2 3.85Å; D238-L287 HydrophobicContact CB-CD1 3.57Å; Y241-L287 HydrophobicContact CD1-CB 3.98Å; Y241-L287 HydrophobicContact CD1-CD1 4.47Å; Y241-L287 HydrophobicContact CE1-CB 4.19Å; Y241-L287 HydrophobicContact CG-CB 4.19Å; Y241-L287 PolarHBondContact OH-O 3.08Å; I242-L287 HydrophobicContact CD1-CD1 4.47Å; I242-L287 HydrophobicContact CG1-CD1 4.32Å; A283-L287 WeakPolarHBondContact O-CB 3.1Å; A283-L287 VanDerWaalsContact O-CG 3.26Å; A283-L287 WeakPolarHBondContact O-CG 3.42Å; A283-L287 PolarHBondContact O-N 2.9Å; Y285-L287 VanDerWaalsContact C-N 3.31Å; Y285-L287 PolarHBondContact O-N 2.71Å; L287-M616 HydrophobicContact CD2-CE 3.47Å; L287-M616 VanDerWaalsContact CD2-CE 3.47Å; L287-M616 HydrophobicContact CD2-SD 4.46Å; L287-W621 HydrophobicContact CD2-CH2 3.67Å; L287-W621 HydrophobicContact CD2-CZ2 3.95Å; L287-W621 HydrophobicContact CD2-CZ3 4.48Å; L287-W621 HydrophobicContact CG-CH2 4.49Å
288	S	94.3	Very high	96.9	Very high	29 Å²	29	18.5 Å²	18.5	20%	0.203	11%	0.106	C	C	.	.	H	α-helix	trans	-103.7	-18.6	-171.7	71.6	0	0	0	0	115.7	A284 Y285 Q290 F293	A284-S288 VanDerWaalsContact O-CB 3.32Å; A284-S288 WeakPolarHBondContact O-CB 3.34Å; A284-S288 PolarHBondContact O-N 2.77Å; A284-S288 VanDerWaalsContact O-N 3.08Å; A284-S288 PolarHBondContact O-OG 3.45Å; Y285-S288 PolarHBondContact O-N 3.34Å; S288-Q290 PolarHBondContact O-N 3.24Å; S288-Q290 WeakPolarHBondContact OG-CB 3.28Å; S288-Q290 WeakPolarHBondContact OG-CG 3.43Å; S288-Q290 PolarHBondContact OG-N 2.85Å; S288-F293 WeakPolarHBondContact OG-CE2 3.34Å
289	G	92.5	Very high	96.8	Very high	40 Å²	40	22 Å²	22	41%	0.412	12%	0.123	S	C	.	.			trans	71.3	1.3	-170.7	0	0	0	0	0	115.3	Y285 E291	Y285-G289 WeakPolarHBondContact O-CA 3.27Å; Y285-G289 PolarHBondContact O-N 2.72Å; G289-E291 PolarHBondContact O-N 3.12Å
290	Q	94	Very high	96.7	Very high	83 Å²	83	22.1 Å²	22.1	39%	0.388	12%	0.123	S	C	.	.			trans	-76.2	105.2	-173.9	-60.3	-81.1	43.7	0	0	111.4	Y285 S288 V292 F293	Y285-Q290 WeakPolarHBondContact CD2-O 3.44Å; S288-Q290 PolarHBondContact O-N 3.24Å; S288-Q290 WeakPolarHBondContact OG-CB 3.28Å; S288-Q290 WeakPolarHBondContact OG-CG 3.43Å; S288-Q290 PolarHBondContact OG-N 2.85Å; Q290-V292 HydrophobicContact CB-CG1 4.23Å; Q290-V292 PolarHBondContact O-N 2.86Å; Q290-F293 HydrophobicContact CB-CD2 3.79Å; Q290-F293 HydrophobicContact CB-CE2 3.65Å; Q290-F293 HydrophobicContact CG-CE2 4.16Å; Q290-F293 WeakPolarHBondContact O-CD2 3.35Å; Q290-F293 PolarHBondContact O-N 2.83Å; Q290-F293 VanDerWaalsContact O-N 3.15Å
291	E	93.8	Very high	96.7	Very high	86 Å²	86	22.1 Å²	22.1	40%	0.402	12%	0.123	S	C	.	.	H	α-helix	trans	-53.4	-22.7	-176.7	-74.7	-74.8	135.5	0	0	114.7	Y285 G289 F293 K294 V295	Y285-E291 HydrophobicContact CE2-CG 4.34Å; Y285-E291 VanDerWaalsContact CE2-OE1 3.26Å; Y285-E291 WeakPolarHBondContact CE2-OE1 3.27Å; Y285-E291 PolarHBondContact OH-OE1 3.38Å; G289-E291 PolarHBondContact O-N 3.12Å; E291-F293 VanDerWaalsContact C-N 3.26Å; E291-F293 PolarHBondContact O-N 2.99Å; E291-K294 PolarHBondContact O-N 3.09Å; E291-K294 IonicContact OE1-NZ 2.7Å; E291-K294 PolarHBondContact OE1-NZ 3.21Å; E291-K294 WeakPolarHBondContact OE2-CD 3.19Å; E291-K294 VanDerWaalsContact OE2-CE 3.26Å; E291-K294 WeakPolarHBondContact OE2-CE 3.34Å; E291-K294 IonicContact OE2-NZ 3.46Å; E291-K294 PolarHBondContact OE2-NZ 3.28Å; E291-V295 WeakPolarHBondContact O-CG2 3.47Å; E291-V295 PolarHBondContact O-N 3.18Å
292	V	96.3	Very high	96.6	Very high	30 Å²	30	27.8 Å²	27.8	18%	0.182	15%	0.15	C	C	.	.	H	α-helix	trans	-54.3	-41	176.5	66.5	0	0	0	0	112.3	Q253 E257 Q290 V295 K296	Q253-V292 HydrophobicContact CG-CG1 4.15Å; E257-V292 HydrophobicContact CB-CG2 4.13Å; E257-V292 HydrophobicContact CG-CG2 4.32Å; Q290-V292 HydrophobicContact CB-CG1 4.23Å; Q290-V292 PolarHBondContact O-N 2.86Å; V292-V295 PolarHBondContact O-N 3.27Å; V292-K296 VanDerWaalsContact O-CG 3.23Å; V292-K296 WeakPolarHBondContact O-CG 3.35Å; V292-K296 PolarHBondContact O-N 3.47Å
293	F	98	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.8	-44.5	-178.2	-53	-61	0	0	0	111.5	L237 F249 Q253 I256 L281 A284 S288 Q290 E291 V295 K296 A297	L237-F293 HydrophobicContact CD1-CD1 3.89Å; L237-F293 HydrophobicContact CD1-CE1 3.39Å; L237-F293 HydrophobicContact CD1-CZ 3.89Å; F249-F293 HydrophobicContact CE1-CE2 4.21Å; F249-F293 HydrophobicContact CE1-CZ 4.18Å; F249-F293 HydrophobicContact CE2-CE2 4.46Å; F249-F293 HydrophobicContact CE2-CZ 4.34Å; F249-F293 AromaticContact CZ-CE2 3.6Å; F249-F293 HydrophobicContact CZ-CE2 3.6Å; F249-F293 AromaticContact CZ-CZ 3.7Å; F249-F293 HydrophobicContact CZ-CZ 3.7Å; Q253-F293 HydrophobicContact CB-CE1 4.26Å; Q253-F293 HydrophobicContact CB-CZ 3.78Å; Q253-F293 HydrophobicContact CG-CE1 4.13Å; Q253-F293 HydrophobicContact CG-CE2 4.37Å; Q253-F293 HydrophobicContact CG-CZ 3.63Å; I256-F293 HydrophobicContact CD1-CD1 4.32Å; I256-F293 HydrophobicContact CD1-CE1 4.11Å; I256-F293 HydrophobicContact CG2-CD1 4.39Å; L281-F293 HydrophobicContact CB-CB 4.41Å; L281-F293 HydrophobicContact CD2-CB 4.09Å; L281-F293 HydrophobicContact CD2-CD1 3.88Å; L281-F293 HydrophobicContact CD2-CG 4.47Å; L281-F293 VanDerWaalsContact O-CB 3.25Å; L281-F293 WeakPolarHBondContact O-CB 3.48Å; A284-F293 HydrophobicContact CB-CB 4.32Å; A284-F293 HydrophobicContact CB-CD1 4.16Å; A284-F293 HydrophobicContact CB-CD2 3.77Å; A284-F293 HydrophobicContact CB-CE1 4.4Å; A284-F293 HydrophobicContact CB-CE2 4.03Å; A284-F293 HydrophobicContact CB-CG 3.83Å; A284-F293 HydrophobicContact CB-CZ 4.32Å; S288-F293 WeakPolarHBondContact OG-CE2 3.34Å; Q290-F293 HydrophobicContact CB-CD2 3.79Å; Q290-F293 HydrophobicContact CB-CE2 3.65Å; Q290-F293 HydrophobicContact CG-CE2 4.16Å; Q290-F293 WeakPolarHBondContact O-CD2 3.35Å; Q290-F293 PolarHBondContact O-N 2.83Å; Q290-F293 VanDerWaalsContact O-N 3.15Å; E291-F293 VanDerWaalsContact C-N 3.26Å; E291-F293 PolarHBondContact O-N 2.99Å; F293-V295 PolarHBondContact O-N 3.13Å; F293-K296 PolarHBondContact O-N 3.02Å; F293-A297 WeakPolarHBondContact O-CB 3.43Å; F293-A297 PolarHBondContact O-N 2.85Å
294	K	95.8	Very high	96.5	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.022	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-43.9	172.6	163.6	177.7	161.3	-156.7	0	112.2	L162 Y285 E291 A297 V298 L355	L162-K294 HydrophobicContact CD1-CD 4.29Å; L162-K294 HydrophobicContact CD1-CG 3.81Å; Y285-K294 HydrophobicContact CD1-CB 4.05Å; Y285-K294 HydrophobicContact CD1-CD 4.26Å; Y285-K294 HydrophobicContact CD2-CB 3.59Å; Y285-K294 HydrophobicContact CD2-CD 4.28Å; Y285-K294 HydrophobicContact CE1-CB 4.25Å; Y285-K294 HydrophobicContact CE1-CD 3.64Å; Y285-K294 HydrophobicContact CE1-CG 4.48Å; Y285-K294 HydrophobicContact CE2-CB 3.83Å; Y285-K294 HydrophobicContact CE2-CD 3.67Å; Y285-K294 HydrophobicContact CE2-CG 4.44Å; Y285-K294 HydrophobicContact CG-CB 3.69Å; Y285-K294 VanDerWaalsContact OH-CD 3.29Å; Y285-K294 WeakPolarHBondContact OH-CD 3.35Å; Y285-K294 PolarHBondContact OH-NZ 3.28Å; Y285-K294 VanDerWaalsContact OH-NZ 3.09Å; E291-K294 PolarHBondContact O-N 3.09Å; E291-K294 IonicContact OE1-NZ 2.7Å; E291-K294 PolarHBondContact OE1-NZ 3.21Å; E291-K294 WeakPolarHBondContact OE2-CD 3.19Å; E291-K294 VanDerWaalsContact OE2-CE 3.26Å; E291-K294 WeakPolarHBondContact OE2-CE 3.34Å; E291-K294 IonicContact OE2-NZ 3.46Å; E291-K294 PolarHBondContact OE2-NZ 3.28Å; K294-A297 PolarHBondContact O-N 2.91Å; K294-V298 WeakPolarHBondContact O-CG2 3.43Å; K294-V298 PolarHBondContact O-N 3.17Å; K294-L355 HydrophobicContact CD-CB 4.5Å; K294-L355 HydrophobicContact CD-CD1 4.32Å; K294-L355 HydrophobicContact CG-CD1 4.34Å
295	V	96.4	Very high	96.5	Very high	53 Å²	53	31.9 Å²	31.9	32%	0.321	17%	0.169	S	C	.	.	H	α-helix	trans	-61.8	-45.2	176.5	169.3	0	0	0	0	111.1	L162 E291 V292 F293 V298 Q299	L162-V295 HydrophobicContact CD1-CG2 4.38Å; E291-V295 WeakPolarHBondContact O-CG2 3.47Å; E291-V295 PolarHBondContact O-N 3.18Å; V292-V295 PolarHBondContact O-N 3.27Å; F293-V295 PolarHBondContact O-N 3.13Å; V295-V298 PolarHBondContact O-N 3.08Å; V295-Q299 VanDerWaalsContact O-CG 3.27Å; V295-Q299 WeakPolarHBondContact O-CG 3.49Å; V295-Q299 PolarHBondContact O-N 3.34Å
296	K	98.1	Very high	96.6	Very high	26 Å²	26	33.1 Å²	33.1	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-40.5	176.8	-63.3	-79.3	-174	173.2	0	111.6	I256 E257 L260 F262 L281 V292 F293 V298 Q299 L300	I256-K296 HydrophobicContact CG2-CD 4.38Å; I256-K296 HydrophobicContact CG2-CG 3.93Å; I256-K296 WeakPolarHBondContact O-CE 3.39Å; I256-K296 PolarHBondContact O-NZ 2.84Å; E257-K296 PolarHBondContact O-NZ 3.08Å; L260-K296 HydrophobicContact CB-CD 4.42Å; L260-K296 HydrophobicContact CD2-CD 4.49Å; L260-K296 HydrophobicContact CG-CD 4.49Å; L260-K296 PolarHBondContact O-NZ 3.26Å; F262-K296 HydrophobicContact CE2-CB 4.21Å; F262-K296 HydrophobicContact CE2-CD 4.43Å; F262-K296 WeakPolarHBondContact CE2-O 3.21Å; L281-K296 HydrophobicContact CD1-CB 3.79Å; L281-K296 HydrophobicContact CD2-CB 4.23Å; V292-K296 VanDerWaalsContact O-CG 3.23Å; V292-K296 WeakPolarHBondContact O-CG 3.35Å; V292-K296 PolarHBondContact O-N 3.47Å; F293-K296 PolarHBondContact O-N 3.02Å; K296-V298 PolarHBondContact O-N 3.48Å; K296-Q299 PolarHBondContact O-N 2.81Å; K296-L300 WeakPolarHBondContact O-CB 3.47Å; K296-L300 PolarHBondContact O-N 2.88Å
297	A	98.3	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-44.2	177.6	0	0	0	0	0	111.9	I278 L281 L282 F293 K294 L300 A301	I278-A297 HydrophobicContact CG2-CB 4.45Å; L281-A297 HydrophobicContact CB-CB 3.88Å; L281-A297 HydrophobicContact CD1-CB 4.37Å; L282-A297 HydrophobicContact CD2-CB 4.43Å; L282-A297 HydrophobicContact CG-CB 4.45Å; F293-A297 WeakPolarHBondContact O-CB 3.43Å; F293-A297 PolarHBondContact O-N 2.85Å; K294-A297 PolarHBondContact O-N 2.91Å; A297-L300 PolarHBondContact O-N 3.46Å; A297-A301 WeakPolarHBondContact O-CB 3.42Å; A297-A301 PolarHBondContact O-N 3.36Å
298	V	97.7	Very high	96.8	Very high	13 Å²	13	32.4 Å²	32.4	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-44.5	176.8	177.8	0	0	0	0	111.4	L162 K294 V295 K296 L300 A301 E302 L352 T356	L162-V298 HydrophobicContact CD1-CG2 4.07Å; L162-V298 HydrophobicContact CD2-CG1 4.49Å; K294-V298 WeakPolarHBondContact O-CG2 3.43Å; K294-V298 PolarHBondContact O-N 3.17Å; V295-V298 PolarHBondContact O-N 3.08Å; K296-V298 PolarHBondContact O-N 3.48Å; V298-L300 PolarHBondContact O-N 3.12Å; V298-A301 PolarHBondContact O-N 3.39Å; V298-E302 WeakPolarHBondContact O-CG 3.19Å; V298-E302 PolarHBondContact O-N 2.79Å; V298-L352 HydrophobicContact CG2-CD2 3.98Å; V298-T356 HydrophobicContact CB-CG2 4.32Å; V298-T356 HydrophobicContact CG1-CG2 3.91Å; V298-T356 HydrophobicContact CG2-CG2 3.34Å
299	Q	97.3	Very high	97	Very high	75 Å²	75	36.3 Å²	36.3	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-57.1	-37.9	175.8	-75.4	173.4	-0.9	0	0	112.4	F262 V295 K296	F262-Q299 HydrophobicContact CD2-CB 4.23Å; V295-Q299 VanDerWaalsContact O-CG 3.27Å; V295-Q299 WeakPolarHBondContact O-CG 3.49Å; V295-Q299 PolarHBondContact O-N 3.34Å; K296-Q299 PolarHBondContact O-N 2.81Å
300	L	97.6	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-72.1	-45.1	176.2	-177.2	52.6	0	0	0	112.2	F262 V273 F277 I278 K296 A297 V298 E302 K303 L304 L321	F262-L300 HydrophobicContact CB-CD1 4.46Å; F262-L300 HydrophobicContact CD1-CD1 3.67Å; F262-L300 HydrophobicContact CD1-CG 4.47Å; F262-L300 HydrophobicContact CD2-CB 3.97Å; F262-L300 HydrophobicContact CD2-CD1 4.41Å; F262-L300 HydrophobicContact CE1-CB 4.32Å; F262-L300 HydrophobicContact CE1-CD1 3.89Å; F262-L300 HydrophobicContact CE1-CD2 3.9Å; F262-L300 HydrophobicContact CE1-CG 4.26Å; F262-L300 HydrophobicContact CE2-CB 3.75Å; F262-L300 HydrophobicContact CG-CB 4.36Å; F262-L300 HydrophobicContact CG-CD1 3.93Å; F262-L300 HydrophobicContact CZ-CB 3.91Å; F262-L300 HydrophobicContact CZ-CD1 4.35Å; F262-L300 HydrophobicContact CZ-CD2 3.92Å; F262-L300 HydrophobicContact CZ-CG 4.29Å; V273-L300 HydrophobicContact CG1-CD1 3.64Å; V273-L300 HydrophobicContact CG1-CD2 3.7Å; V273-L300 HydrophobicContact CG1-CG 3.94Å; F277-L300 HydrophobicContact CB-CD2 3.38Å; F277-L300 HydrophobicContact CG-CD2 4.24Å; I278-L300 HydrophobicContact CD1-CD2 4.48Å; I278-L300 HydrophobicContact CD1-CG 4.21Å; I278-L300 HydrophobicContact CG1-CB 4.36Å; I278-L300 HydrophobicContact CG1-CD2 3.71Å; I278-L300 HydrophobicContact CG1-CG 3.94Å; K296-L300 WeakPolarHBondContact O-CB 3.47Å; K296-L300 PolarHBondContact O-N 2.88Å; A297-L300 PolarHBondContact O-N 3.46Å; V298-L300 PolarHBondContact O-N 3.12Å; L300-E302 VanDerWaalsContact C-N 3.28Å; L300-E302 PolarHBondContact O-N 3.31Å; L300-K303 WeakPolarHBondContact O-CA 3.23Å; L300-K303 WeakPolarHBondContact O-CB 3.48Å; L300-K303 PolarHBondContact O-N 2.94Å; L300-L304 PolarHBondContact O-N 3.26Å; L300-L321 HydrophobicContact CD1-CD2 4.29Å
301	A	97.8	Very high	97.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.9	-41.1	177.6	0	0	0	0	0	112.2	I278 A297 V298 K303 L304 I305 L352 Y361	I278-A301 HydrophobicContact CD1-CB 4.1Å; A297-A301 WeakPolarHBondContact O-CB 3.42Å; A297-A301 PolarHBondContact O-N 3.36Å; V298-A301 PolarHBondContact O-N 3.39Å; A301-K303 PolarHBondContact O-N 2.85Å; A301-L304 PolarHBondContact O-N 2.91Å; A301-I305 PolarHBondContact O-N 3.16Å; A301-I305 VanDerWaalsContact O-N 3.13Å; A301-L352 HydrophobicContact CB-CD1 3.44Å; A301-L352 VanDerWaalsContact CB-CD1 3.44Å; A301-L352 HydrophobicContact CB-CD2 3.85Å; A301-L352 HydrophobicContact CB-CG 4.28Å; A301-Y361 HydrophobicContact CB-CD1 4.2Å; A301-Y361 HydrophobicContact CB-CE1 3.52Å
302	E	97.2	Very high	97.6	Very high	119 Å²	119	33 Å²	33	56%	0.556	18%	0.177	S	C	*	.	H	α-helix	trans	-58.6	-30.7	173.1	-72	-175.4	169.5	0	0	113	V298 L300	V298-E302 WeakPolarHBondContact O-CG 3.19Å; V298-E302 PolarHBondContact O-N 2.79Å; L300-E302 VanDerWaalsContact C-N 3.28Å; L300-E302 PolarHBondContact O-N 3.31Å
303	K	97.1	Very high	97.7	Very high	54 Å²	54	32.1 Å²	32.1	24%	0.235	17%	0.174	C	C	.	.	H	α-helix	trans	-76.5	-22.1	173.5	-56.1	-41.5	-165.7	76.1	0	113.8	F262 L300 A301 P306 L321	F262-K303 HydrophobicContact CB-CG 4.12Å; F262-K303 PolarHBondContact O-NZ 3.41Å; L300-K303 WeakPolarHBondContact O-CA 3.23Å; L300-K303 WeakPolarHBondContact O-CB 3.48Å; L300-K303 PolarHBondContact O-N 2.94Å; A301-K303 PolarHBondContact O-N 2.85Å; K303-P306 WeakPolarHBondContact O-CD 3.48Å; K303-L321 HydrophobicContact CB-CD2 3.59Å; K303-L321 HydrophobicContact CG-CD2 4.29Å; K303-L321 PolarHBondContact NZ-O 2.94Å
304	L	98.1	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-88.4	-24.9	178.7	-58.5	-171.3	0	0	0	113.1	V270 V273 N274 I278 L300 A301 P306 A307 V319 L321	V270-L304 HydrophobicContact CG1-CD1 4.42Å; V273-L304 HydrophobicContact CG1-CD1 4.34Å; V273-L304 HydrophobicContact CG1-CD2 4.26Å; N274-L304 HydrophobicContact CB-CD1 4.38Å; I278-L304 HydrophobicContact CD1-CD1 3.66Å; L300-L304 PolarHBondContact O-N 3.26Å; A301-L304 PolarHBondContact O-N 2.91Å; L304-P306 VanDerWaalsContact C-N 3.29Å; L304-P306 VanDerWaalsContact O-N 3.15Å; L304-A307 WeakPolarHBondContact O-CB 3.34Å; L304-A307 PolarHBondContact O-N 3.31Å; L304-V319 HydrophobicContact CD2-CG1 3.76Å; L304-L321 HydrophobicContact CD2-CD2 4.28Å
305	I	98.1	Very high	97.9	Very high	34 Å²	34	32 Å²	32	17%	0.174	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-48.2	-40	176.4	-68.9	-60.8	0	0	0	114.3	A301 A307 F308 F349 V360 Y361 K364	A301-I305 PolarHBondContact O-N 3.16Å; A301-I305 VanDerWaalsContact O-N 3.13Å; I305-A307 PolarHBondContact O-N 3.29Å; I305-F308 PolarHBondContact O-N 3.42Å; I305-F349 HydrophobicContact CD1-CE1 4.21Å; I305-V360 HydrophobicContact CD1-CG1 4.14Å; I305-V360 HydrophobicContact CD1-CG2 4.33Å; I305-Y361 HydrophobicContact CD1-CD1 3.8Å; I305-Y361 HydrophobicContact CD1-CE1 3.9Å; I305-Y361 HydrophobicContact CG1-CD1 4.43Å; I305-Y361 HydrophobicContact CG1-CE1 4.02Å; I305-K364 HydrophobicContact CD1-CG 4.24Å
306	P	98.3	Very high	98	Very high	30 Å²	30	30.6 Å²	30.6	20%	0.195	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-59.1	-23.9	174.9	-26.8	36.2	0	0	0	115.6	K303 L304 F308 N309 V319 G324	K303-P306 WeakPolarHBondContact O-CD 3.48Å; L304-P306 VanDerWaalsContact C-N 3.29Å; L304-P306 VanDerWaalsContact O-N 3.15Å; P306-F308 PolarHBondContact O-N 2.98Å; P306-N309 VanDerWaalsContact O-CB 3.28Å; P306-N309 WeakPolarHBondContact O-CB 3.47Å; P306-N309 PolarHBondContact O-N 2.93Å; P306-N309 VanDerWaalsContact O-N 3.08Å; P306-V319 HydrophobicContact CB-CG2 4.39Å; P306-G324 VanDerWaalsContact CB-O 3.31Å; P306-G324 WeakPolarHBondContact CB-O 3.48Å
307	A	98.4	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-60.1	-32.8	176.6	0	0	0	0	0	112.2	V270 L304 I305 N309 P315 W316 V319	V270-A307 HydrophobicContact CG1-CB 4.21Å; V270-A307 HydrophobicContact CG2-CB 3.61Å; L304-A307 WeakPolarHBondContact O-CB 3.34Å; L304-A307 PolarHBondContact O-N 3.31Å; I305-A307 PolarHBondContact O-N 3.29Å; A307-N309 PolarHBondContact O-N 3.47Å; A307-P315 HydrophobicContact CB-CB 4.13Å; A307-P315 CarbonylContact O-C 3.58Å; A307-P315 VanDerWaalsContact O-CA 3.31Å; A307-P315 WeakPolarHBondContact O-CA 3.29Å; A307-W316 PolarHBondContact O-N 3.12Å; A307-V319 HydrophobicContact CB-CB 4.22Å; A307-V319 HydrophobicContact CB-CG2 4.4Å
308	F	98.6	Very high	97.8	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.013	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-80.5	8.8	178.7	-57.9	-98.8	0	0	0	113.7	I305 P306 T310 P315 L345 F349 K364 I368	I305-F308 PolarHBondContact O-N 3.42Å; P306-F308 PolarHBondContact O-N 2.98Å; F308-T310 PolarHBondContact O-N 3.43Å; F308-T310 VanDerWaalsContact O-N 3.07Å; F308-P315 HydrophobicContact CD1-CB 3.84Å; F308-P315 HydrophobicContact CD1-CG 4.02Å; F308-P315 HydrophobicContact CD2-CB 4.39Å; F308-P315 HydrophobicContact CE1-CB 4.03Å; F308-P315 HydrophobicContact CE1-CG 3.84Å; F308-P315 HydrophobicContact CG-CB 4.05Å; F308-P315 HydrophobicContact CZ-CB 4.39Å; F308-P315 HydrophobicContact CZ-CG 4.37Å; F308-L345 HydrophobicContact CE1-CD1 4.21Å; F308-L345 HydrophobicContact CZ-CD1 3.82Å; F308-F349 AromaticContact CE2-CE1 3.56Å; F308-F349 HydrophobicContact CE2-CE1 3.56Å; F308-F349 AromaticContact CE2-CZ 3.7Å; F308-F349 HydrophobicContact CE2-CZ 3.7Å; F308-F349 HydrophobicContact CZ-CD1 4.31Å; F308-F349 AromaticContact CZ-CE1 3.55Å; F308-F349 HydrophobicContact CZ-CE1 3.55Å; F308-F349 AromaticContact CZ-CZ 3.82Å; F308-F349 HydrophobicContact CZ-CZ 3.82Å; F308-K364 HydrophobicContact CB-CD 3.63Å; F308-K364 VanDerWaalsContact CB-CE 3.48Å; F308-K364 HydrophobicContact CB-CG 4.36Å; F308-K364 HydrophobicContact CD1-CB 3.82Å; F308-K364 HydrophobicContact CD1-CD 3.91Å; F308-K364 HydrophobicContact CD1-CG 4.04Å; F308-K364 HydrophobicContact CD2-CD 4.43Å; F308-K364 HydrophobicContact CD2-CG 4.25Å; F308-K364 HydrophobicContact CE1-CB 3.72Å; F308-K364 HydrophobicContact CE1-CG 4.34Å; F308-K364 HydrophobicContact CG-CB 4.26Å; F308-K364 HydrophobicContact CG-CD 3.76Å; F308-K364 HydrophobicContact CG-CG 3.98Å; F308-K364 HydrophobicContact CZ-CB 4.1Å; F308-I368 HydrophobicContact CE1-CD1 3.9Å
309	N	97.6	Very high	97.8	Very high	111 Å²	111	29.1 Å²	29.1	59%	0.594	16%	0.156	S	C	*	.			trans	-84.9	68.1	175.5	-67.3	-19.5	0	0	0	110.2	P306 A307	P306-N309 VanDerWaalsContact O-CB 3.28Å; P306-N309 WeakPolarHBondContact O-CB 3.47Å; P306-N309 PolarHBondContact O-N 2.93Å; P306-N309 VanDerWaalsContact O-N 3.08Å; A307-N309 PolarHBondContact O-N 3.47Å
310	T	98.1	Very high	97.7	Very high	18 Å²	18	26.5 Å²	26.5	11%	0.11	15%	0.145	C	C	.	.	S	Bend	trans	-125.6	157.3	178.3	77.6	0	0	0	0	110.3	F308 T312 G313 I314 W316 P388	F308-T310 PolarHBondContact O-N 3.43Å; F308-T310 VanDerWaalsContact O-N 3.07Å; T310-T312 PolarHBondContact O-N 2.59Å; T310-T312 VanDerWaalsContact O-N 3.09Å; T310-T312 PolarHBondContact OG1-OG1 3.42Å; T310-G313 PolarHBondContact O-N 3.26Å; T310-G313 PolarHBondContact OG1-N 3.33Å; T310-I314 WeakPolarHBondContact CB-O 3.48Å; T310-I314 WeakPolarHBondContact CG2-O 3.46Å; T310-I314 PolarHBondContact OG1-N 3.15Å; T310-I314 PolarHBondContact OG1-O 2.77Å; T310-W316 HydrophobicContact CG2-CD2 3.97Å; T310-W316 HydrophobicContact CG2-CG 4.18Å; T310-W316 HydrophobicContact CG2-CH2 4.46Å; T310-W316 HydrophobicContact CG2-CZ2 3.8Å; T310-P388 WeakPolarHBondContact CB-O 3.2Å; T310-P388 HydrophobicContact CG2-CB 4.12Å; T310-P388 PolarHBondContact OG1-O 3.25Å
311	P	98.1	Very high	97.6	Very high	100 Å²	100	26.7 Å²	26.7	65%	0.649	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.9	178.2	-27.2	35.4	0	0	0	114.9	P388 R389	P311-P388 WeakPolarHBondContact CD-O 3.39Å; P311-R389 HydrophobicContact CG-CB 4.41Å
312	T	97.8	Very high	97.4	Very high	20 Å²	20	33.6 Å²	33.6	12%	0.123	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-16.7	179.9	60.4	0	0	0	0	113.9	T310 I314 H367 L371 P388 G391	T310-T312 PolarHBondContact O-N 2.59Å; T310-T312 VanDerWaalsContact O-N 3.09Å; T310-T312 PolarHBondContact OG1-OG1 3.42Å; T312-I314 PolarHBondContact O-N 3.32Å; T312-I314 WeakPolarHBondContact OG1-CB 3.4Å; T312-I314 PolarHBondContact OG1-N 3.35Å; T312-I314 VanDerWaalsContact OG1-N 3.16Å; T312-H367 PolarHBondContact O-NE2 2.85Å; T312-L371 WeakPolarHBondContact O-CD1 3.28Å; T312-P388 WeakPolarHBondContact CB-O 3.41Å; T312-P388 VanDerWaalsContact CG2-O 3.25Å; T312-P388 WeakPolarHBondContact CG2-O 3.15Å; T312-P388 PolarHBondContact N-O 2.89Å; T312-P388 VanDerWaalsContact OG1-C 3.28Å; T312-P388 VanDerWaalsContact OG1-CA 3.29Å; T312-P388 WeakPolarHBondContact OG1-CA 3.39Å; T312-P388 PolarHBondContact OG1-O 3.03Å; T312-G391 VanDerWaalsContact CG2-N 3.29Å
313	G	97.5	Very high	97.4	Very high	12 Å²	12	31.3 Å²	31.3	12%	0.124	17%	0.173	C	C	.	.	S	Bend	trans	79.8	-9.2	-167.3	0	0	0	0	0	115.1	T310	T310-G313 PolarHBondContact O-N 3.26Å; T310-G313 PolarHBondContact OG1-N 3.33Å
314	I	98.4	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-67.2	126.9	168.4	-57.6	-58.6	0	0	0	108.1	T310 T312 F342 I368 L371 L386 P388	T310-I314 WeakPolarHBondContact CB-O 3.48Å; T310-I314 WeakPolarHBondContact CG2-O 3.46Å; T310-I314 PolarHBondContact OG1-N 3.15Å; T310-I314 PolarHBondContact OG1-O 2.77Å; T312-I314 PolarHBondContact O-N 3.32Å; T312-I314 WeakPolarHBondContact OG1-CB 3.4Å; T312-I314 PolarHBondContact OG1-N 3.35Å; T312-I314 VanDerWaalsContact OG1-N 3.16Å; I314-F342 HydrophobicContact CG2-CB 4.34Å; I314-F342 HydrophobicContact CG2-CD1 3.71Å; I314-F342 HydrophobicContact CG2-CD2 4.4Å; I314-F342 HydrophobicContact CG2-CE1 4.06Å; I314-F342 HydrophobicContact CG2-CG 3.91Å; I314-I368 HydrophobicContact CD1-CB 4.35Å; I314-I368 HydrophobicContact CD1-CG1 3.98Å; I314-I368 HydrophobicContact CD1-CG2 4.16Å; I314-L371 HydrophobicContact CD1-CD1 4.21Å; I314-L371 HydrophobicContact CD1-CD2 4.28Å; I314-L371 HydrophobicContact CG1-CD1 4.12Å; I314-L386 HydrophobicContact CD1-CD2 3.86Å; I314-L386 HydrophobicContact CG1-CD2 3.79Å; I314-L386 HydrophobicContact CG1-CG 4.33Å; I314-L386 HydrophobicContact CG2-CD2 4.46Å; I314-P388 HydrophobicContact CB-CB 4.03Å; I314-P388 HydrophobicContact CG2-CB 4.23Å; I314-P388 WeakPolarHBondContact O-CB 3.03Å
315	P	98.6	Very high	97.3	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.026	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-70.1	158.8	-172.4	26.8	-34.6	0	0	0	113.9	A307 F308 S337 F342 L345 I368	A307-P315 HydrophobicContact CB-CB 4.13Å; A307-P315 CarbonylContact O-C 3.58Å; A307-P315 VanDerWaalsContact O-CA 3.31Å; A307-P315 WeakPolarHBondContact O-CA 3.29Å; F308-P315 HydrophobicContact CD1-CB 3.84Å; F308-P315 HydrophobicContact CD1-CG 4.02Å; F308-P315 HydrophobicContact CD2-CB 4.39Å; F308-P315 HydrophobicContact CE1-CB 4.03Å; F308-P315 HydrophobicContact CE1-CG 3.84Å; F308-P315 HydrophobicContact CG-CB 4.05Å; F308-P315 HydrophobicContact CZ-CB 4.39Å; F308-P315 HydrophobicContact CZ-CG 4.37Å; P315-S337 WeakPolarHBondContact O-CB 3.25Å; P315-S337 PolarHBondContact O-OG 3.48Å; P315-F342 HydrophobicContact CG-CB 3.69Å; P315-L345 HydrophobicContact CG-CD1 3.94Å; P315-I368 HydrophobicContact CG-CD1 4.39Å
316	W	98.5	Very high	97.2	Very high	23 Å²	23	33.6 Å²	33.6	9%	0.087	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-67.2	142.4	161.1	-61.9	118.2	0	0	0	110.9	V270 A307 T310 G326 N328 P388 R389	V270-W316 WeakPolarHBondContact CG2-O 3.29Å; A307-W316 PolarHBondContact O-N 3.12Å; T310-W316 HydrophobicContact CG2-CD2 3.97Å; T310-W316 HydrophobicContact CG2-CG 4.18Å; T310-W316 HydrophobicContact CG2-CH2 4.46Å; T310-W316 HydrophobicContact CG2-CZ2 3.8Å; W316-G326 VanDerWaalsContact CG-C 3.48Å; W316-N328 WeakPolarHBondContact CA-OD1 3.24Å; W316-N328 HydrophobicContact CE3-CB 4.47Å; W316-P388 HydrophobicContact CE3-CG 3.96Å; W316-P388 HydrophobicContact CH2-CG 3.92Å; W316-P388 HydrophobicContact CZ3-CG 3.44Å; W316-P388 VanDerWaalsContact CZ3-CG 3.44Å; W316-R389 HydrophobicContact CH2-CG 3.92Å; W316-R389 VanDerWaalsContact CH2-CZ 3.48Å; W316-R389 VanDerWaalsContact CH2-NH2 3.32Å
317	A	97.4	Very high	97.1	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	21%	0.209	C	C	.	.	S	Bend	trans	-62.9	-39.8	175.1	0	0	0	0	0	112.7	S269 V270 R327 N328 E341	S269-A317 WeakPolarHBondContact CA-O 3.38Å; V270-A317 PolarHBondContact N-O 2.9Å; A317-R327 PolarHBondContact N-O 3.17Å; A317-N328 PolarHBondContact N-OD1 3.04Å; A317-E341 WeakPolarHBondContact CB-OE2 3.45Å
318	M	96.5	Very high	97	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.4	-179.4	-61.4	-67.4	-65.6	0	0	110.8	E267 V268 S269 G326 R327 W329	E267-M318 HydrophobicContact CB-CE 4.49Å; E267-M318 HydrophobicContact CG-CB 4.08Å; E267-M318 HydrophobicContact CG-CE 4.06Å; E267-M318 WeakPolarHBondContact OE1-CE 3.45Å; V268-M318 VanDerWaalsContact C-CE 3.41Å; V268-M318 CarbonylContact O-C 3.59Å; V268-M318 VanDerWaalsContact O-CA 3.27Å; V268-M318 WeakPolarHBondContact O-CA 3.48Å; S269-M318 VanDerWaalsContact CA-SD 3.52Å; S269-M318 PolarHBondContact N-SD 3.27Å; M318-G326 CarbonylContact O-C 3.53Å; M318-G326 WeakPolarHBondContact O-CA 3.37Å; M318-R327 HydrophobicContact CB-CG 4.06Å; M318-R327 WeakPolarHBondContact CB-O 3.48Å; M318-R327 PolarHBondContact N-O 3.39Å; M318-R327 PolarHBondContact O-N 3.21Å; M318-W329 HydrophobicContact CE-CH2 4.41Å; M318-W329 HydrophobicContact CG-CE3 4.47Å; M318-W329 HydrophobicContact CG-CH2 4.27Å; M318-W329 HydrophobicContact CG-CZ2 4.4Å; M318-W329 HydrophobicContact CG-CZ3 4.31Å; M318-W329 HydrophobicContact SD-CH2 3.35Å; M318-W329 WeakPolarHBondContact SD-CH2 3.45Å; M318-W329 HydrophobicContact SD-CZ2 3.68Å; M318-W329 HydrophobicContact SD-CZ3 3.83Å
319	V	96.7	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.4	173	72.9	0	0	0	0	111.8	E267 V268 V270 L304 P306 A307	E267-V319 WeakPolarHBondContact CA-O 3.32Å; V268-V319 HydrophobicContact CG2-CG1 4.26Å; V268-V319 PolarHBondContact N-O 2.84Å; V268-V319 PolarHBondContact O-N 2.82Å; V270-V319 HydrophobicContact CG2-CB 3.92Å; V270-V319 HydrophobicContact CG2-CG1 3.65Å; L304-V319 HydrophobicContact CD2-CG1 3.76Å; P306-V319 HydrophobicContact CB-CG2 4.39Å; A307-V319 HydrophobicContact CB-CB 4.22Å; A307-V319 HydrophobicContact CB-CG2 4.4Å
320	N	96.4	Very high	96.6	Very high	21 Å²	21	38.7 Å²	38.7	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.7	171.7	180	-65.3	0	0	0	111.4	N265 A266 K322 S323 G324 V325	N265-N320 PolarHBondContact OD1-ND2 2.81Å; N265-N320 PolarHBondContact OD1-OD1 3.24Å; A266-N320 CarbonylContact O-C 3.53Å; A266-N320 VanDerWaalsContact O-CA 3.27Å; A266-N320 WeakPolarHBondContact O-CA 3.22Å; N320-K322 PolarHBondContact O-N 2.63Å; N320-K322 VanDerWaalsContact O-N 3.12Å; N320-K322 WeakPolarHBondContact OD1-CA 3.43Å; N320-K322 PolarHBondContact OD1-N 3.03Å; N320-S323 WeakPolarHBondContact CB-OG 3.44Å; N320-S323 PolarHBondContact O-N 3.07Å; N320-S323 PolarHBondContact OD1-N 3.15Å; N320-S323 PolarHBondContact OD1-OG 2.95Å; N320-G324 WeakPolarHBondContact O-CA 3.16Å; N320-G324 PolarHBondContact O-N 3.18Å; N320-V325 PolarHBondContact N-O 2.84Å
321	L	94.8	Very high	96.4	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.2	-172.7	-63.2	176.2	0	0	0	114.6	L229 V264 A266 V268 L300 K303 L304	L229-L321 HydrophobicContact CD1-CD1 4.41Å; V264-L321 HydrophobicContact CG2-CD1 3.98Å; A266-L321 PolarHBondContact O-N 3.18Å; V268-L321 HydrophobicContact CG1-CD1 3.83Å; V268-L321 HydrophobicContact CG1-CG 4.16Å; V268-L321 HydrophobicContact CG2-CD1 4.19Å; V268-L321 HydrophobicContact CG2-CD2 3.82Å; V268-L321 HydrophobicContact CG2-CG 3.9Å; L300-L321 HydrophobicContact CD1-CD2 4.29Å; K303-L321 HydrophobicContact CB-CD2 3.59Å; K303-L321 HydrophobicContact CG-CD2 4.29Å; K303-L321 PolarHBondContact NZ-O 2.94Å; L304-L321 HydrophobicContact CD2-CD2 4.28Å
322	K	93.9	Very high	96.2	Very high	146 Å²	146	40.4 Å²	40.4	64%	0.635	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-38.4	178.3	-171.9	169	-170.4	161.8	0	113.8	V264 N265 N320	V264-K322 WeakPolarHBondContact O-CB 3.41Å; N265-K322 HydrophobicContact CB-CB 4.43Å; N265-K322 HydrophobicContact CB-CD 3.99Å; N320-K322 PolarHBondContact O-N 2.63Å; N320-K322 VanDerWaalsContact O-N 3.12Å; N320-K322 WeakPolarHBondContact OD1-CA 3.43Å; N320-K322 PolarHBondContact OD1-N 3.03Å
323	S	95.7	Very high	95.8	Very high	71 Å²	71	40.2 Å²	40.2	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-16.1	-176.6	69.6	0	0	0	0	114.3	N320 V325	N320-S323 WeakPolarHBondContact CB-OG 3.44Å; N320-S323 PolarHBondContact O-N 3.07Å; N320-S323 PolarHBondContact OD1-N 3.15Å; N320-S323 PolarHBondContact OD1-OG 2.95Å; S323-V325 PolarHBondContact O-N 2.81Å; S323-V325 WeakPolarHBondContact OG-CG2 3.34Å; S323-V325 PolarHBondContact OG-N 2.96Å
324	G	95.9	Very high	95.4	Very high	22 Å²	22	43.4 Å²	43.4	23%	0.227	25%	0.253	C	S	.	.			trans	68.4	6.2	-174.1	0	0	0	0	0	114.3	P306 N320 G326	P306-G324 VanDerWaalsContact CB-O 3.31Å; P306-G324 WeakPolarHBondContact CB-O 3.48Å; N320-G324 WeakPolarHBondContact O-CA 3.16Å; N320-G324 PolarHBondContact O-N 3.18Å; G324-G326 PolarHBondContact O-N 2.8Å
325	V	97	Very high	95.1	Very high	96 Å²	96	45.2 Å²	45.2	58%	0.582	27%	0.272	S	S	*	.			trans	-72.3	126.6	175.5	177.4	0	0	0	0	108.8	N320 S323	N320-V325 PolarHBondContact N-O 2.84Å; S323-V325 PolarHBondContact O-N 2.81Å; S323-V325 WeakPolarHBondContact OG-CG2 3.34Å; S323-V325 PolarHBondContact OG-N 2.96Å
326	G	96.4	Very high	95.1	Very high	17 Å²	17	45 Å²	45	18%	0.175	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.9	177.2	0	0	0	0	0	113.7	W316 M318 G324	W316-G326 VanDerWaalsContact CG-C 3.48Å; M318-G326 CarbonylContact O-C 3.53Å; M318-G326 WeakPolarHBondContact O-CA 3.37Å; G324-G326 PolarHBondContact O-N 2.8Å
327	R	96.4	Very high	95.1	Very high	99 Å²	99	44 Å²	44	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	166	177.8	66.1	172.8	-172.9	82.4	1.3	111.4	E267 A317 M318	E267-R327 VanDerWaalsContact CD-NE 3.26Å; E267-R327 IonicContact OE1-CZ 3.28Å; E267-R327 IonicContact OE1-NE 3.94Å; E267-R327 PolarHBondContact OE1-NE 3.15Å; E267-R327 IonicContact OE1-NH2 3.82Å; E267-R327 PolarHBondContact OE1-NH2 3Å; E267-R327 WeakPolarHBondContact OE2-CD 3.26Å; E267-R327 IonicContact OE2-CZ 2.91Å; E267-R327 IonicContact OE2-NE 2.71Å; E267-R327 PolarHBondContact OE2-NE 2.91Å; E267-R327 IonicContact OE2-NH2 3.29Å; A317-R327 PolarHBondContact N-O 3.17Å; M318-R327 HydrophobicContact CB-CG 4.06Å; M318-R327 WeakPolarHBondContact CB-O 3.48Å; M318-R327 PolarHBondContact N-O 3.39Å; M318-R327 PolarHBondContact O-N 3.21Å
328	N	97.4	Very high	95.1	Very high	16 Å²	16	44 Å²	44	9%	0.086	27%	0.266	C	S	.	.			trans	-94.8	171.3	168.2	-73.4	-16.8	0	0	0	112.1	W316 A317 G335 S336 S337 P388	W316-N328 WeakPolarHBondContact CA-OD1 3.24Å; W316-N328 HydrophobicContact CE3-CB 4.47Å; A317-N328 PolarHBondContact N-OD1 3.04Å; N328-G335 PolarHBondContact ND2-O 3.17Å; N328-S336 PolarHBondContact ND2-O 3.44Å; N328-S337 PolarHBondContact ND2-N 3.36Å; N328-S337 VanDerWaalsContact ND2-N 3.11Å; N328-S337 PolarHBondContact ND2-OG 3.29Å; N328-S337 PolarHBondContact OD1-OG 3.43Å; N328-P388 WeakPolarHBondContact ND2-CG 3.46Å
329	W	94.5	Very high	95.3	Very high	51 Å²	51	43.8 Å²	43.8	19%	0.193	27%	0.265	C	S	.	.			trans	-61.9	136.9	173	-57.7	109.7	0	0	0	111.6	I223 M318 W331 A332 E341	I223-W329 HydrophobicContact CG2-CH2 4.42Å; M318-W329 HydrophobicContact CE-CH2 4.41Å; M318-W329 HydrophobicContact CG-CE3 4.47Å; M318-W329 HydrophobicContact CG-CH2 4.27Å; M318-W329 HydrophobicContact CG-CZ2 4.4Å; M318-W329 HydrophobicContact CG-CZ3 4.31Å; M318-W329 HydrophobicContact SD-CH2 3.35Å; M318-W329 WeakPolarHBondContact SD-CH2 3.45Å; M318-W329 HydrophobicContact SD-CZ2 3.68Å; M318-W329 HydrophobicContact SD-CZ3 3.83Å; W329-W331 HydrophobicContact CB-CD2 4.05Å; W329-W331 HydrophobicContact CB-CG 4.28Å; W329-W331 HydrophobicContact CB-CZ2 3.88Å; W329-W331 AromaticContact CD1-CZ2 3.7Å; W329-W331 HydrophobicContact CD2-CZ2 4.21Å; W329-W331 AromaticContact CG-CE2 3.81Å; W329-W331 HydrophobicContact CG-CH2 4.48Å; W329-W331 AromaticContact CG-CZ2 3.67Å; W329-W331 HydrophobicContact CG-CZ2 3.67Å; W329-W331 AromaticContact CG-NE1 3.9Å; W329-W331 PolarHBondContact O-N 3.3Å; W329-W331 VanDerWaalsContact O-N 3.15Å; W329-A332 HydrophobicContact CB-CB 4.07Å; W329-A332 PolarHBondContact O-N 3.23Å; W329-A332 VanDerWaalsContact O-N 3.08Å; W329-E341 PolarHBondContact NE1-OE1 3.4Å
330	G	93.4	Very high	95.3	Very high	85 Å²	85	44 Å²	44	88%	0.876	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.6	-179.4	0	0	0	0	0	114.7
331	W	93.3	Very high	95.4	Very high	149 Å²	149	44.1 Å²	44.1	56%	0.564	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-11.8	175.4	57.3	-103.2	0	0	0	113.6	W329 I338 Y385 L403	W329-W331 HydrophobicContact CB-CD2 4.05Å; W329-W331 HydrophobicContact CB-CG 4.28Å; W329-W331 HydrophobicContact CB-CZ2 3.88Å; W329-W331 AromaticContact CD1-CZ2 3.7Å; W329-W331 HydrophobicContact CD2-CZ2 4.21Å; W329-W331 AromaticContact CG-CE2 3.81Å; W329-W331 HydrophobicContact CG-CH2 4.48Å; W329-W331 AromaticContact CG-CZ2 3.67Å; W329-W331 HydrophobicContact CG-CZ2 3.67Å; W329-W331 AromaticContact CG-NE1 3.9Å; W329-W331 PolarHBondContact O-N 3.3Å; W329-W331 VanDerWaalsContact O-N 3.15Å; W331-I338 HydrophobicContact CH2-CD1 4.03Å; W331-I338 HydrophobicContact CH2-CG1 4.4Å; W331-I338 HydrophobicContact CZ3-CD1 4.19Å; W331-Y385 HydrophobicContact CZ3-CE1 4.18Å; W331-L403 HydrophobicContact CH2-CD2 3.95Å; W331-L403 HydrophobicContact CZ3-CD1 4.5Å
332	A	94.1	Very high	95.6	Very high	6 Å²	6	44 Å²	44	5%	0.05	27%	0.266	C	S	.	.	S	Bend	trans	-69.4	139.5	-173.4	0	0	0	0	0	112	W329 A334 G335 S336 I338 Y385	W329-A332 HydrophobicContact CB-CB 4.07Å; W329-A332 PolarHBondContact O-N 3.23Å; W329-A332 VanDerWaalsContact O-N 3.08Å; A332-A334 PolarHBondContact O-N 2.93Å; A332-A334 VanDerWaalsContact O-N 3.17Å; A332-G335 PolarHBondContact O-N 3.09Å; A332-S336 VanDerWaalsContact CB-O 3.27Å; A332-S336 WeakPolarHBondContact CB-O 3.32Å; A332-I338 HydrophobicContact CB-CD1 4.24Å; A332-Y385 HydrophobicContact CB-CE1 4.47Å
333	S	89.1	Confident	95.8	Very high	15 Å²	15	37.6 Å²	37.6	11%	0.105	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-53.6	118.8	-171.9	-156.9	0	0	0	0	112.1	G335 S336 Q395	S333-G335 PolarHBondContact O-N 3.28Å; S333-G335 VanDerWaalsContact O-N 3.11Å; S333-S336 WeakPolarHBondContact O-CB 3.42Å; S333-S336 PolarHBondContact O-N 3.27Å; S333-S336 PolarHBondContact O-OG 3.44Å; S333-Q395 WeakPolarHBondContact OG-CB 3.17Å; S333-Q395 WeakPolarHBondContact OG-CG 3.42Å; S333-Q395 PolarHBondContact OG-N 2.7Å; S333-Q395 PolarHBondContact OG-OE1 3.41Å
334	A	89.1	Confident	96	Very high	80 Å²	80	34.2 Å²	34.2	66%	0.661	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	51.4	29.2	-175.7	0	0	0	0	0	115.2	A332 S336 N387	A332-A334 PolarHBondContact O-N 2.93Å; A332-A334 VanDerWaalsContact O-N 3.17Å; A334-S336 VanDerWaalsContact C-N 3.3Å; A334-S336 PolarHBondContact O-N 2.76Å; A334-N387 PolarHBondContact O-ND2 2.94Å
335	G	92.9	Very high	96.1	Very high	38 Å²	38	33.2 Å²	33.2	39%	0.392	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	69.1	25.4	-176.5	0	0	0	0	0	114	N328 A332 S333	N328-G335 PolarHBondContact ND2-O 3.17Å; A332-G335 PolarHBondContact O-N 3.09Å; S333-G335 PolarHBondContact O-N 3.28Å; S333-G335 VanDerWaalsContact O-N 3.11Å
336	S	97.8	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-73.5	158.8	-179.3	-60.9	0	0	0	0	113.8	N328 A332 S333 A334 L386 N387	N328-S336 PolarHBondContact ND2-O 3.44Å; A332-S336 VanDerWaalsContact CB-O 3.27Å; A332-S336 WeakPolarHBondContact CB-O 3.32Å; S333-S336 WeakPolarHBondContact O-CB 3.42Å; S333-S336 PolarHBondContact O-N 3.27Å; S333-S336 PolarHBondContact O-OG 3.44Å; A334-S336 VanDerWaalsContact C-N 3.3Å; A334-S336 PolarHBondContact O-N 2.76Å; S336-L386 WeakPolarHBondContact CA-O 3.47Å; S336-L386 VanDerWaalsContact CB-C 3.49Å; S336-L386 WeakPolarHBondContact CB-O 3.43Å; S336-N387 PolarHBondContact OG-N 2.72Å
337	S	98.3	Very high	96.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	155.2	165.7	-50.1	0	0	0	0	108.8	P315 N328 L386 P388	P315-S337 WeakPolarHBondContact O-CB 3.25Å; P315-S337 PolarHBondContact O-OG 3.48Å; N328-S337 PolarHBondContact ND2-N 3.36Å; N328-S337 VanDerWaalsContact ND2-N 3.11Å; N328-S337 PolarHBondContact ND2-OG 3.29Å; N328-S337 PolarHBondContact OD1-OG 3.43Å; S337-L386 PolarHBondContact N-O 3.33Å; S337-L386 PolarHBondContact O-N 3.18Å; S337-P388 WeakPolarHBondContact OG-CG 3.18Å
338	I	98.6	Very high	96.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.6	-174.5	-54.8	-55.1	0	0	0	111.3	W331 A332 A340 E341 F342 N384 Y385 L403	W331-I338 HydrophobicContact CH2-CD1 4.03Å; W331-I338 HydrophobicContact CH2-CG1 4.4Å; W331-I338 HydrophobicContact CZ3-CD1 4.19Å; A332-I338 HydrophobicContact CB-CD1 4.24Å; I338-A340 PolarHBondContact O-N 3.07Å; I338-E341 HydrophobicContact CB-CB 4.02Å; I338-E341 VanDerWaalsContact CB-CD 3.46Å; I338-E341 HydrophobicContact CB-CG 3.73Å; I338-E341 WeakPolarHBondContact CB-OE2 3.17Å; I338-E341 HydrophobicContact CG1-CG 4.32Å; I338-E341 WeakPolarHBondContact CG1-OE2 3.39Å; I338-E341 HydrophobicContact CG2-CG 4.21Å; I338-E341 PolarHBondContact O-N 3.18Å; I338-E341 VanDerWaalsContact O-N 3.09Å; I338-F342 VanDerWaalsContact C-CE1 3.45Å; I338-F342 WeakPolarHBondContact O-CD1 3.42Å; I338-F342 VanDerWaalsContact O-CE1 3.26Å; I338-F342 WeakPolarHBondContact O-CE1 3.39Å; I338-F342 PolarHBondContact O-N 3.05Å; I338-F342 VanDerWaalsContact O-N 3.13Å; I338-N384 WeakPolarHBondContact CA-O 2.95Å; I338-Y385 HydrophobicContact CD1-CD1 3.62Å; I338-Y385 HydrophobicContact CD1-CE1 3.49Å; I338-Y385 VanDerWaalsContact CD1-CE1 3.49Å; I338-L403 HydrophobicContact CD1-CD2 4.32Å; I338-L403 HydrophobicContact CG1-CD2 4.28Å; I338-L403 HydrophobicContact CG2-CB 3.61Å; I338-L403 HydrophobicContact CG2-CD2 3.69Å; I338-L403 HydrophobicContact CG2-CG 4.24Å; I338-L403 WeakPolarHBondContact CG2-O 3.37Å
339	L	98.6	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.2	-49	-174.7	178.1	65.5	0	0	0	113.3	F342 G343 N384 F407	L339-F342 HydrophobicContact CB-CZ 4.38Å; L339-F342 HydrophobicContact CD1-CE2 3.91Å; L339-F342 HydrophobicContact CD1-CZ 3.91Å; L339-G343 WeakPolarHBondContact O-CA 3.46Å; L339-G343 PolarHBondContact O-N 3.14Å; L339-N384 PolarHBondContact N-O 3.29Å; L339-F407 HydrophobicContact CD1-CB 4.39Å; L339-F407 HydrophobicContact CD1-CD1 3.86Å; L339-F407 HydrophobicContact CD1-CD2 4.02Å; L339-F407 HydrophobicContact CD1-CE1 4.11Å; L339-F407 HydrophobicContact CD1-CE2 4.26Å; L339-F407 HydrophobicContact CD1-CG 3.81Å; L339-F407 HydrophobicContact CD1-CZ 4.3Å; L339-F407 HydrophobicContact CD2-CD1 3.79Å; L339-F407 HydrophobicContact CD2-CE1 4.3Å; L339-F407 HydrophobicContact CD2-CG 4.3Å; L339-F407 HydrophobicContact CG-CB 3.94Å; L339-F407 HydrophobicContact CG-CD1 3.82Å; L339-F407 HydrophobicContact CG-CD2 4.49Å; L339-F407 HydrophobicContact CG-CE1 4.47Å; L339-F407 HydrophobicContact CG-CG 3.81Å
340	A	98.6	Very high	96.6	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.033	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-49.9	172.9	0	0	0	0	0	111.4	I338 F342 G343 T344 L403 D405	I338-A340 PolarHBondContact O-N 3.07Å; A340-F342 VanDerWaalsContact C-N 3.3Å; A340-F342 PolarHBondContact O-N 3.05Å; A340-F342 VanDerWaalsContact O-N 3.15Å; A340-G343 PolarHBondContact O-N 3.26Å; A340-G343 VanDerWaalsContact O-N 3.14Å; A340-T344 VanDerWaalsContact O-CB 3.26Å; A340-T344 WeakPolarHBondContact O-CB 3.45Å; A340-T344 PolarHBondContact O-N 2.82Å; A340-T344 PolarHBondContact O-OG1 2.88Å; A340-L403 PolarHBondContact N-O 2.83Å; A340-D405 WeakPolarHBondContact CB-OD1 3.5Å
341	E	98.7	Very high	96.8	Very high	24 Å²	24	16.5 Å²	16.5	11%	0.112	10%	0.102	C	C	.	.	H	α-helix	trans	-57	-36.7	-175.2	-68.1	172.7	178.3	0	0	114.7	F271 A317 W329 I338 L345	F271-E341 HydrophobicContact CB-CB 3.81Å; F271-E341 HydrophobicContact CB-CG 3.84Å; F271-E341 HydrophobicContact CD1-CG 4.12Å; F271-E341 HydrophobicContact CG-CB 4.22Å; F271-E341 HydrophobicContact CG-CG 4.03Å; A317-E341 WeakPolarHBondContact CB-OE2 3.45Å; W329-E341 PolarHBondContact NE1-OE1 3.4Å; I338-E341 HydrophobicContact CB-CB 4.02Å; I338-E341 VanDerWaalsContact CB-CD 3.46Å; I338-E341 HydrophobicContact CB-CG 3.73Å; I338-E341 WeakPolarHBondContact CB-OE2 3.17Å; I338-E341 HydrophobicContact CG1-CG 4.32Å; I338-E341 WeakPolarHBondContact CG1-OE2 3.39Å; I338-E341 HydrophobicContact CG2-CG 4.21Å; I338-E341 PolarHBondContact O-N 3.18Å; I338-E341 VanDerWaalsContact O-N 3.09Å; E341-L345 WeakPolarHBondContact O-CG 3.46Å
342	F	98.5	Very high	96.9	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-96.8	-19.5	176.1	65.5	-108.5	0	0	0	114.2	I314 P315 I338 L339 A340 I368 L372 L386	I314-F342 HydrophobicContact CG2-CB 4.34Å; I314-F342 HydrophobicContact CG2-CD1 3.71Å; I314-F342 HydrophobicContact CG2-CD2 4.4Å; I314-F342 HydrophobicContact CG2-CE1 4.06Å; I314-F342 HydrophobicContact CG2-CG 3.91Å; P315-F342 HydrophobicContact CG-CB 3.69Å; I338-F342 VanDerWaalsContact C-CE1 3.45Å; I338-F342 WeakPolarHBondContact O-CD1 3.42Å; I338-F342 VanDerWaalsContact O-CE1 3.26Å; I338-F342 WeakPolarHBondContact O-CE1 3.39Å; I338-F342 PolarHBondContact O-N 3.05Å; I338-F342 VanDerWaalsContact O-N 3.13Å; L339-F342 HydrophobicContact CB-CZ 4.38Å; L339-F342 HydrophobicContact CD1-CE2 3.91Å; L339-F342 HydrophobicContact CD1-CZ 3.91Å; A340-F342 VanDerWaalsContact C-N 3.3Å; A340-F342 PolarHBondContact O-N 3.05Å; A340-F342 VanDerWaalsContact O-N 3.15Å; F342-I368 HydrophobicContact CB-CD1 4.49Å; F342-I368 HydrophobicContact CD2-CG2 3.84Å; F342-I368 HydrophobicContact CE2-CG2 4.36Å; F342-I368 WeakPolarHBondContact O-CD1 3.12Å; F342-L372 HydrophobicContact CE2-CD1 4.25Å; F342-L372 HydrophobicContact CE2-CD2 4.25Å; F342-L386 HydrophobicContact CE1-CB 3.68Å; F342-L386 HydrophobicContact CE1-CD2 4.34Å; F342-L386 HydrophobicContact CE2-CD2 4.09Å; F342-L386 HydrophobicContact CZ-CB 3.57Å; F342-L386 HydrophobicContact CZ-CD2 3.65Å; F342-L386 HydrophobicContact CZ-CG 4.22Å
343	G	98.4	Very high	97	Very high	12 Å²	12	9.1 Å²	9.1	12%	0.124	7%	0.073	C	C	.	.	H	α-helix	trans	-71.1	-42.8	173	0	0	0	0	0	112.1	L339 A340 L345	L339-G343 WeakPolarHBondContact O-CA 3.46Å; L339-G343 PolarHBondContact O-N 3.14Å; A340-G343 PolarHBondContact O-N 3.26Å; A340-G343 VanDerWaalsContact O-N 3.14Å; G343-L345 PolarHBondContact O-N 3.35Å
344	T	98.8	Very high	97.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	46.9	-168.9	-42.7	0	0	0	0	112.1	F271 N274 I275 A340 S406 F407 Y410 T625	F271-T344 HydrophobicContact CE2-CG2 3.91Å; N274-T344 PolarHBondContact ND2-O 3.29Å; I275-T344 HydrophobicContact CG2-CG2 4.15Å; A340-T344 VanDerWaalsContact O-CB 3.26Å; A340-T344 WeakPolarHBondContact O-CB 3.45Å; A340-T344 PolarHBondContact O-N 2.82Å; A340-T344 PolarHBondContact O-OG1 2.88Å; T344-S406 WeakPolarHBondContact CG2-OG 3.47Å; T344-S406 WeakPolarHBondContact OG1-CB 3.47Å; T344-S406 PolarHBondContact OG1-O 3.42Å; T344-S406 PolarHBondContact OG1-OG 3.28Å; T344-F407 PolarHBondContact OG1-N 3.24Å; T344-Y410 HydrophobicContact CG2-CD1 3.69Å; T344-Y410 HydrophobicContact CG2-CD2 3.81Å; T344-Y410 HydrophobicContact CG2-CE1 3.48Å; T344-Y410 VanDerWaalsContact CG2-CE1 3.48Å; T344-Y410 HydrophobicContact CG2-CE2 3.59Å; T344-Y410 HydrophobicContact CG2-CG 3.84Å; T344-Y410 VanDerWaalsContact CG2-CZ 3.41Å; T344-T625 HydrophobicContact CG2-CG2 3.43Å; T344-T625 VanDerWaalsContact CG2-CG2 3.43Å
345	L	98.8	Very high	97.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-5.8	173.7	-56.5	176.8	0	0	0	112.1	V270 N274 F308 P315 E341 G343 F349 V365	V270-L345 HydrophobicContact CG1-CD1 4.47Å; V270-L345 HydrophobicContact CG1-CD2 4.42Å; N274-L345 HydrophobicContact CB-CD2 3.55Å; F308-L345 HydrophobicContact CE1-CD1 4.21Å; F308-L345 HydrophobicContact CZ-CD1 3.82Å; P315-L345 HydrophobicContact CG-CD1 3.94Å; E341-L345 WeakPolarHBondContact O-CG 3.46Å; G343-L345 PolarHBondContact O-N 3.35Å; L345-F349 HydrophobicContact CB-CD2 4.45Å; L345-F349 WeakPolarHBondContact O-CB 3.08Å; L345-F349 VanDerWaalsContact O-CD2 3.3Å; L345-F349 WeakPolarHBondContact O-CD2 3.23Å; L345-F349 PolarHBondContact O-N 3.49Å; L345-V365 HydrophobicContact CB-CG1 4.03Å
346	H	98.6	Very high	97.3	Very high	7 Å²	7	4.9 Å²	4.9	3%	0.032	3%	0.028	C	C	.	.	H	α-helix	trans	-71.7	-47	-160.7	-164.8	92.8	0	0	0	113.6	V350 R369 Y410	H346-V350 VanDerWaalsContact O-CG2 3.23Å; H346-V350 WeakPolarHBondContact O-CG2 3.33Å; H346-V350 PolarHBondContact O-N 2.87Å; H346-R369 PolarHBondContact CE1-NH1 2.84Å; H346-R369 PolarHBondContact NE2-NH1 3.4Å; H346-Y410 HydrophobicContact CB-CD2 4.09Å
347	M	98.4	Very high	97	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.1	-49.4	-173.3	-65.6	177.9	67.5	0	0	111.3	F349 V350 H351 Y410 K413 M417 V622 L630	M347-F349 PolarHBondContact O-N 3.26Å; M347-V350 PolarHBondContact O-N 2.9Å; M347-H351 PolarHBondContact O-CD2 3.44Å; M347-H351 VanDerWaalsContact O-CD2 3.28Å; M347-H351 PolarHBondContact O-N 2.73Å; M347-Y410 HydrophobicContact CB-CD2 4.44Å; M347-Y410 HydrophobicContact CB-CE2 3.95Å; M347-Y410 HydrophobicContact CG-CD2 3.93Å; M347-Y410 HydrophobicContact CG-CE2 3.82Å; M347-Y410 HydrophobicContact CG-CG 4.38Å; M347-Y410 HydrophobicContact SD-CD1 4.09Å; M347-Y410 HydrophobicContact SD-CD2 4.34Å; M347-Y410 HydrophobicContact SD-CE1 3.78Å; M347-Y410 HydrophobicContact SD-CE2 4.07Å; M347-Y410 HydrophobicContact SD-CG 4.37Å; M347-K413 HydrophobicContact CE-CB 4.35Å; M347-K413 HydrophobicContact SD-CB 3.7Å; M347-K413 HydrophobicContact SD-CD 4.32Å; M347-M417 HydrophobicContact CB-SD 3.67Å; M347-M417 HydrophobicContact CE-CB 4.45Å; M347-M417 HydrophobicContact CE-CG 4.49Å; M347-M417 HydrophobicContact CE-SD 4.03Å; M347-M417 HydrophobicContact CG-CE 4.4Å; M347-M417 HydrophobicContact CG-SD 3.72Å; M347-V622 HydrophobicContact CE-CB 3.82Å; M347-V622 HydrophobicContact CE-CG1 3.62Å; M347-L630 HydrophobicContact CB-CD1 4.07Å; M347-L630 HydrophobicContact CE-CD1 4.36Å
348	E	98.8	Very high	96.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.8	-42.4	-178	-55.7	76.7	-168.5	0	0	110.7	N274 I278 L282 V350 H351 L352 Y410 N624	N274-E348 PolarHBondContact ND2-OE2 2.87Å; N274-E348 WeakPolarHBondContact OD1-CB 3.29Å; I278-E348 HydrophobicContact CB-CB 4.47Å; I278-E348 HydrophobicContact CG2-CB 3.9Å; I278-E348 HydrophobicContact CG2-CG 4.44Å; L282-E348 HydrophobicContact CD1-CB 4.12Å; E348-V350 PolarHBondContact O-N 3.49Å; E348-H351 PolarHBondContact O-N 3.38Å; E348-L352 WeakPolarHBondContact O-CB 3.24Å; E348-L352 WeakPolarHBondContact O-CD1 3.35Å; E348-L352 VanDerWaalsContact O-CG 3.23Å; E348-L352 WeakPolarHBondContact O-CG 3.25Å; E348-L352 PolarHBondContact O-N 3.43Å; E348-Y410 PolarHBondContact OE1-OH 2.89Å; E348-Y410 WeakPolarHBondContact OE2-CE2 3.19Å; E348-N624 PolarHBondContact OE1-ND2 3.3Å
349	F	98.6	Very high	96.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-69	-31.7	178	-83.4	-125.1	0	0	0	112.8	N274 I305 F308 L345 M347 L352 T353 Y361 K364 V365	N274-F349 WeakPolarHBondContact OD1-CD2 3.21Å; N274-F349 VanDerWaalsContact OD1-CE2 3.27Å; N274-F349 WeakPolarHBondContact OD1-CE2 3.38Å; I305-F349 HydrophobicContact CD1-CE1 4.21Å; F308-F349 AromaticContact CE2-CE1 3.56Å; F308-F349 HydrophobicContact CE2-CE1 3.56Å; F308-F349 AromaticContact CE2-CZ 3.7Å; F308-F349 HydrophobicContact CE2-CZ 3.7Å; F308-F349 HydrophobicContact CZ-CD1 4.31Å; F308-F349 AromaticContact CZ-CE1 3.55Å; F308-F349 HydrophobicContact CZ-CE1 3.55Å; F308-F349 AromaticContact CZ-CZ 3.82Å; F308-F349 HydrophobicContact CZ-CZ 3.82Å; L345-F349 HydrophobicContact CB-CD2 4.45Å; L345-F349 WeakPolarHBondContact O-CB 3.08Å; L345-F349 VanDerWaalsContact O-CD2 3.3Å; L345-F349 WeakPolarHBondContact O-CD2 3.23Å; L345-F349 PolarHBondContact O-N 3.49Å; M347-F349 PolarHBondContact O-N 3.26Å; F349-L352 HydrophobicContact CD2-CD1 4.23Å; F349-T353 PolarHBondContact O-N 2.86Å; F349-T353 VanDerWaalsContact O-N 3.07Å; F349-Y361 HydrophobicContact CD1-CD1 4.13Å; F349-Y361 HydrophobicContact CD1-CG 4.47Å; F349-Y361 WeakPolarHBondContact CD1-O 3.3Å; F349-Y361 HydrophobicContact CE1-CD1 4.14Å; F349-Y361 WeakPolarHBondContact O-CB 3.31Å; F349-K364 HydrophobicContact CD1-CB 4.44Å; F349-V365 HydrophobicContact CB-CB 4.47Å; F349-V365 HydrophobicContact CB-CG1 3.64Å; F349-V365 HydrophobicContact CB-CG2 3.98Å; F349-V365 HydrophobicContact CD1-CG1 3.93Å; F349-V365 HydrophobicContact CG-CG1 3.82Å
350	V	97	Very high	96.4	Very high	6 Å²	6	13.2 Å²	13.2	4%	0.036	8%	0.084	C	C	.	.	H	α-helix	trans	-65.1	-49.5	169.8	170.1	0	0	0	0	110.6	H346 M347 E348 L352 T353 Y354 Y362 M417 L633 L640	H346-V350 VanDerWaalsContact O-CG2 3.23Å; H346-V350 WeakPolarHBondContact O-CG2 3.33Å; H346-V350 PolarHBondContact O-N 2.87Å; M347-V350 PolarHBondContact O-N 2.9Å; E348-V350 PolarHBondContact O-N 3.49Å; V350-L352 VanDerWaalsContact C-N 3.3Å; V350-L352 PolarHBondContact O-N 3.33Å; V350-T353 PolarHBondContact O-N 3.27Å; V350-T353 VanDerWaalsContact O-N 3.17Å; V350-Y354 PolarHBondContact O-N 3.15Å; V350-Y362 HydrophobicContact CG2-CD2 3.87Å; V350-Y362 HydrophobicContact CG2-CE2 4.26Å; V350-M417 HydrophobicContact CB-CE 3.73Å; V350-M417 HydrophobicContact CG1-CE 3.65Å; V350-M417 HydrophobicContact CG2-CE 3.96Å; V350-L633 HydrophobicContact CG1-CD1 3.73Å; V350-L640 HydrophobicContact CG1-CD1 3.95Å
351	H	97.1	Very high	96.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-33.6	177.8	-81.5	-77.8	0	0	0	112.9	L282 Y286 M347 E348 Y354 L355 M417 P631	L282-H351 HydrophobicContact CD1-CB 3.89Å; L282-H351 HydrophobicContact CD2-CB 4.4Å; Y286-H351 AromaticContact CE2-ND1 3.63Å; Y286-H351 AromaticContact CZ-ND1 3.52Å; Y286-H351 PolarHBondContact OH-ND1 2.89Å; M347-H351 PolarHBondContact O-CD2 3.44Å; M347-H351 VanDerWaalsContact O-CD2 3.28Å; M347-H351 PolarHBondContact O-N 2.73Å; E348-H351 PolarHBondContact O-N 3.38Å; H351-Y354 PolarHBondContact O-N 3.13Å; H351-L355 WeakPolarHBondContact O-CB 3.4Å; H351-L355 WeakPolarHBondContact O-CG 3.25Å; H351-L355 PolarHBondContact O-N 3.31Å; H351-M417 PolarHBondContact NE2-SD 3.2Å; H351-M417 VanDerWaalsContact NE2-SD 3.43Å; H351-P631 PolarHBondContact CE1-O 2.74Å
352	L	97.1	Very high	96.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-45.3	171.4	-76.1	162.5	0	0	0	111.8	I278 V298 A301 E348 F349 V350 Y354 T356 Y361	I278-L352 HydrophobicContact CD1-CD1 4.39Å; I278-L352 HydrophobicContact CG2-CD1 3.83Å; I278-L352 HydrophobicContact CG2-CD2 4.43Å; I278-L352 HydrophobicContact CG2-CG 4.23Å; V298-L352 HydrophobicContact CG2-CD2 3.98Å; A301-L352 HydrophobicContact CB-CD1 3.44Å; A301-L352 VanDerWaalsContact CB-CD1 3.44Å; A301-L352 HydrophobicContact CB-CD2 3.85Å; A301-L352 HydrophobicContact CB-CG 4.28Å; E348-L352 WeakPolarHBondContact O-CB 3.24Å; E348-L352 WeakPolarHBondContact O-CD1 3.35Å; E348-L352 VanDerWaalsContact O-CG 3.23Å; E348-L352 WeakPolarHBondContact O-CG 3.25Å; E348-L352 PolarHBondContact O-N 3.43Å; F349-L352 HydrophobicContact CD2-CD1 4.23Å; V350-L352 VanDerWaalsContact C-N 3.3Å; V350-L352 PolarHBondContact O-N 3.33Å; L352-Y354 VanDerWaalsContact C-N 3.33Å; L352-Y354 PolarHBondContact O-N 3.07Å; L352-T356 WeakPolarHBondContact O-CB 3.39Å; L352-T356 VanDerWaalsContact O-CG2 3.3Å; L352-T356 WeakPolarHBondContact O-CG2 3.44Å; L352-T356 PolarHBondContact O-N 3.28Å; L352-T356 PolarHBondContact O-OG1 2.88Å; L352-Y361 HydrophobicContact CB-CD1 4.36Å; L352-Y361 HydrophobicContact CB-CD2 3.7Å; L352-Y361 HydrophobicContact CB-CE2 4.17Å; L352-Y361 HydrophobicContact CB-CG 3.8Å; L352-Y361 HydrophobicContact CD1-CD1 4.26Å; L352-Y361 HydrophobicContact CD1-CG 4.46Å
353	T	95.6	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-39.5	173.1	-77.2	0	0	0	0	111.7	F349 V350 G357 N358 Y361 Y362 L640	F349-T353 PolarHBondContact O-N 2.86Å; F349-T353 VanDerWaalsContact O-N 3.07Å; V350-T353 PolarHBondContact O-N 3.27Å; V350-T353 VanDerWaalsContact O-N 3.17Å; T353-G357 VanDerWaalsContact O-CA 3.3Å; T353-G357 WeakPolarHBondContact O-CA 3.31Å; T353-G357 PolarHBondContact O-N 3.27Å; T353-N358 WeakPolarHBondContact CA-O 3.4Å; T353-N358 WeakPolarHBondContact CB-O 3.24Å; T353-N358 WeakPolarHBondContact CG2-O 3.32Å; T353-N358 PolarHBondContact OG1-O 2.98Å; T353-Y361 WeakPolarHBondContact OG1-CB 3.37Å; T353-Y362 WeakPolarHBondContact OG1-CB 3.29Å; T353-Y362 PolarHBondContact OG1-N 3.4Å; T353-L640 HydrophobicContact CG2-CB 4.49Å; T353-L640 HydrophobicContact CG2-CD2 4.42Å
354	Y	92.9	Very high	96.1	Very high	24 Å²	24	20 Å²	20	9%	0.094	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-54.1	175.6	-179.5	-100.8	0	0	0	111.9	V165 P166 P168 V350 H351 L352 T356 L633 L635 L640	V165-Y354 HydrophobicContact CG1-CD1 3.99Å; V165-Y354 HydrophobicContact CG1-CE1 3.55Å; V165-Y354 HydrophobicContact CG1-CE2 4.21Å; V165-Y354 HydrophobicContact CG1-CG 4.49Å; V165-Y354 WeakPolarHBondContact CG2-O 3.07Å; P166-Y354 PolarHBondContact O-OH 2.67Å; P168-Y354 HydrophobicContact CG-CE1 4.05Å; V350-Y354 PolarHBondContact O-N 3.15Å; H351-Y354 PolarHBondContact O-N 3.13Å; L352-Y354 VanDerWaalsContact C-N 3.33Å; L352-Y354 PolarHBondContact O-N 3.07Å; Y354-T356 PolarHBondContact O-N 2.57Å; Y354-L633 HydrophobicContact CD1-CD2 3.99Å; Y354-L633 HydrophobicContact CD2-CD1 4.41Å; Y354-L633 HydrophobicContact CD2-CD2 4.09Å; Y354-L633 HydrophobicContact CE1-CD2 4.01Å; Y354-L633 HydrophobicContact CE2-CD2 4.1Å; Y354-L633 HydrophobicContact CG-CD1 4.31Å; Y354-L633 HydrophobicContact CG-CD2 4.03Å; Y354-L635 HydrophobicContact CD2-CD2 4.35Å; Y354-L635 HydrophobicContact CE2-CD2 4.48Å; Y354-L640 HydrophobicContact CD2-CD2 4.11Å
355	L	92.4	Very high	96.1	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-73.9	-20.7	-175.5	-68.4	-179.8	0	0	0	115.2	L282 Y285 Y286 K294 H351	L282-L355 HydrophobicContact CD2-CD1 3.55Å; Y285-L355 HydrophobicContact CD1-CD1 3.84Å; Y285-L355 HydrophobicContact CD1-CD2 4.42Å; Y285-L355 HydrophobicContact CE1-CD1 3.88Å; Y285-L355 HydrophobicContact CE1-CD2 3.7Å; Y285-L355 HydrophobicContact CE1-CG 4.45Å; Y286-L355 HydrophobicContact CE1-CD1 4.49Å; Y286-L355 HydrophobicContact CE1-CD2 4.09Å; Y286-L355 HydrophobicContact CE2-CD1 4.46Å; Y286-L355 WeakPolarHBondContact OH-CD1 3.39Å; Y286-L355 WeakPolarHBondContact OH-CG 3.47Å; K294-L355 HydrophobicContact CD-CB 4.5Å; K294-L355 HydrophobicContact CD-CD1 4.32Å; K294-L355 HydrophobicContact CG-CD1 4.34Å; H351-L355 WeakPolarHBondContact O-CB 3.4Å; H351-L355 WeakPolarHBondContact O-CG 3.25Å; H351-L355 PolarHBondContact O-N 3.31Å
356	T	92.3	Very high	95.9	Very high	18 Å²	18	21 Å²	21	11%	0.11	12%	0.115	C	C	.	.	H	α-helix	trans	-106.5	-17.6	-178.5	62.8	0	0	0	0	114.1	L162 P163 V298 L352 Y354 N358 Y361	L162-T356 HydrophobicContact CD2-CG2 4.08Å; P163-T356 WeakPolarHBondContact CG-O 3.34Å; V298-T356 HydrophobicContact CB-CG2 4.32Å; V298-T356 HydrophobicContact CG1-CG2 3.91Å; V298-T356 HydrophobicContact CG2-CG2 3.34Å; L352-T356 WeakPolarHBondContact O-CB 3.39Å; L352-T356 VanDerWaalsContact O-CG2 3.3Å; L352-T356 WeakPolarHBondContact O-CG2 3.44Å; L352-T356 PolarHBondContact O-N 3.28Å; L352-T356 PolarHBondContact O-OG1 2.88Å; Y354-T356 PolarHBondContact O-N 2.57Å; T356-N358 PolarHBondContact O-N 3.04Å; T356-N358 VanDerWaalsContact OG1-CB 3.26Å; T356-N358 WeakPolarHBondContact OG1-CB 3.17Å; T356-N358 PolarHBondContact OG1-N 3.41Å; T356-Y361 HydrophobicContact CG2-CE2 4.34Å
357	G	90.3	Very high	95.9	Very high	35 Å²	35	24.9 Å²	24.9	36%	0.361	13%	0.133	S	C	.	.			trans	64.8	5	-165.2	0	0	0	0	0	114.4	T353 P359 P641	T353-G357 VanDerWaalsContact O-CA 3.3Å; T353-G357 WeakPolarHBondContact O-CA 3.31Å; T353-G357 PolarHBondContact O-N 3.27Å; G357-P359 WeakPolarHBondContact O-CD 3.42Å; G357-P641 WeakPolarHBondContact O-CB 3.12Å; G357-P641 WeakPolarHBondContact O-CG 3.2Å
358	N	92.3	Very high	95.9	Very high	60 Å²	60	25.1 Å²	25.1	32%	0.321	13%	0.134	S	C	.	.			trans	-84.8	115.4	-177.9	-174.2	-9.8	0	0	0	110	T353 T356 V360 Y361	T353-N358 WeakPolarHBondContact CA-O 3.4Å; T353-N358 WeakPolarHBondContact CB-O 3.24Å; T353-N358 WeakPolarHBondContact CG2-O 3.32Å; T353-N358 PolarHBondContact OG1-O 2.98Å; T356-N358 PolarHBondContact O-N 3.04Å; T356-N358 VanDerWaalsContact OG1-CB 3.26Å; T356-N358 WeakPolarHBondContact OG1-CB 3.17Å; T356-N358 PolarHBondContact OG1-N 3.41Å; N358-V360 WeakPolarHBondContact ND2-CG1 3.27Å; N358-V360 PolarHBondContact O-N 3.46Å; N358-V360 VanDerWaalsContact O-N 3.15Å; N358-V360 WeakPolarHBondContact OD1-CB 3.31Å; N358-V360 WeakPolarHBondContact OD1-CG1 3.41Å; N358-V360 PolarHBondContact OD1-N 3.42Å; N358-V360 VanDerWaalsContact OD1-N 3.12Å; N358-Y361 HydrophobicContact CB-CD2 4.3Å; N358-Y361 HydrophobicContact CB-CE2 4.01Å
359	P	94	Very high	95.7	Very high	43 Å²	43	26 Å²	26	28%	0.279	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.2	-177.3	29.3	-38	0	0	0	113.8	G357 Y361 Q363 P641	G357-P359 WeakPolarHBondContact O-CD 3.42Å; P359-Y361 VanDerWaalsContact C-N 3.32Å; P359-Y361 PolarHBondContact O-N 3.45Å; P359-Q363 HydrophobicContact CB-CG 4.47Å; P359-Q363 WeakPolarHBondContact O-CB 3.5Å; P359-Q363 VanDerWaalsContact O-CG 3.22Å; P359-Q363 WeakPolarHBondContact O-CG 3.41Å; P359-Q363 PolarHBondContact O-N 3.17Å; P359-P641 WeakPolarHBondContact CA-O 3.17Å; P359-P641 HydrophobicContact CB-CB 4.03Å; P359-P641 VanDerWaalsContact CB-O 3.22Å; P359-P641 WeakPolarHBondContact CB-O 3.32Å
360	V	96.7	Very high	95.6	Very high	39 Å²	39	30.5 Å²	30.5	24%	0.236	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-38.3	-169.8	77	0	0	0	0	113	I305 N358 Q363 K364	I305-V360 HydrophobicContact CD1-CG1 4.14Å; I305-V360 HydrophobicContact CD1-CG2 4.33Å; N358-V360 WeakPolarHBondContact ND2-CG1 3.27Å; N358-V360 PolarHBondContact O-N 3.46Å; N358-V360 VanDerWaalsContact O-N 3.15Å; N358-V360 WeakPolarHBondContact OD1-CB 3.31Å; N358-V360 WeakPolarHBondContact OD1-CG1 3.41Å; N358-V360 PolarHBondContact OD1-N 3.42Å; N358-V360 VanDerWaalsContact OD1-N 3.12Å; V360-Q363 PolarHBondContact O-N 2.86Å; V360-K364 WeakPolarHBondContact O-CG 3.45Å; V360-K364 PolarHBondContact O-N 2.78Å
361	Y	97.4	Very high	95.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-67.4	-55.4	-176.4	-52.2	-70.3	0	0	0	110.4	A301 I305 F349 L352 T353 T356 N358 P359 Q363 K364 V365	A301-Y361 HydrophobicContact CB-CD1 4.2Å; A301-Y361 HydrophobicContact CB-CE1 3.52Å; I305-Y361 HydrophobicContact CD1-CD1 3.8Å; I305-Y361 HydrophobicContact CD1-CE1 3.9Å; I305-Y361 HydrophobicContact CG1-CD1 4.43Å; I305-Y361 HydrophobicContact CG1-CE1 4.02Å; F349-Y361 HydrophobicContact CD1-CD1 4.13Å; F349-Y361 HydrophobicContact CD1-CG 4.47Å; F349-Y361 WeakPolarHBondContact CD1-O 3.3Å; F349-Y361 HydrophobicContact CE1-CD1 4.14Å; F349-Y361 WeakPolarHBondContact O-CB 3.31Å; L352-Y361 HydrophobicContact CB-CD1 4.36Å; L352-Y361 HydrophobicContact CB-CD2 3.7Å; L352-Y361 HydrophobicContact CB-CE2 4.17Å; L352-Y361 HydrophobicContact CB-CG 3.8Å; L352-Y361 HydrophobicContact CD1-CD1 4.26Å; L352-Y361 HydrophobicContact CD1-CG 4.46Å; T353-Y361 WeakPolarHBondContact OG1-CB 3.37Å; T356-Y361 HydrophobicContact CG2-CE2 4.34Å; N358-Y361 HydrophobicContact CB-CD2 4.3Å; N358-Y361 HydrophobicContact CB-CE2 4.01Å; P359-Y361 VanDerWaalsContact C-N 3.32Å; P359-Y361 PolarHBondContact O-N 3.45Å; Y361-Q363 VanDerWaalsContact C-N 3.3Å; Y361-Q363 PolarHBondContact O-N 3.03Å; Y361-K364 PolarHBondContact O-N 2.93Å; Y361-K364 VanDerWaalsContact O-N 3.11Å; Y361-V365 PolarHBondContact O-N 3.15Å
362	Y	95.9	Very high	95.5	Very high	36 Å²	36	32.1 Å²	32.1	14%	0.141	17%	0.165	C	C	.	.	H	α-helix	trans	-53.5	-44.4	172.9	-177.5	-112.7	0	0	0	112.8	V350 T353 K364 V365 M366 L640	V350-Y362 HydrophobicContact CG2-CD2 3.87Å; V350-Y362 HydrophobicContact CG2-CE2 4.26Å; T353-Y362 WeakPolarHBondContact OG1-CB 3.29Å; T353-Y362 PolarHBondContact OG1-N 3.4Å; Y362-K364 VanDerWaalsContact C-N 3.33Å; Y362-K364 PolarHBondContact O-N 3.32Å; Y362-V365 WeakPolarHBondContact O-CG2 3.41Å; Y362-V365 PolarHBondContact O-N 2.92Å; Y362-M366 HydrophobicContact CD1-CG 4.14Å; Y362-M366 HydrophobicContact CD2-CG 3.88Å; Y362-M366 HydrophobicContact CE1-CG 3.71Å; Y362-M366 HydrophobicContact CE2-CG 3.45Å; Y362-M366 VanDerWaalsContact CE2-CG 3.45Å; Y362-M366 HydrophobicContact CE2-SD 3.86Å; Y362-M366 HydrophobicContact CG-CG 4.21Å; Y362-M366 WeakPolarHBondContact O-CB 3.37Å; Y362-M366 WeakPolarHBondContact O-CG 3.24Å; Y362-M366 PolarHBondContact O-N 3.35Å; Y362-L640 HydrophobicContact CD2-CD1 4.33Å; Y362-L640 HydrophobicContact CE2-CD1 4.3Å
363	Q	97.2	Very high	95.3	Very high	100 Å²	100	35.2 Å²	35.2	47%	0.467	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-37.3	177.9	-76.3	175.9	-7.8	0	0	113.1	P359 V360 Y361 H367	P359-Q363 HydrophobicContact CB-CG 4.47Å; P359-Q363 WeakPolarHBondContact O-CB 3.5Å; P359-Q363 VanDerWaalsContact O-CG 3.22Å; P359-Q363 WeakPolarHBondContact O-CG 3.41Å; P359-Q363 PolarHBondContact O-N 3.17Å; V360-Q363 PolarHBondContact O-N 2.86Å; Y361-Q363 VanDerWaalsContact C-N 3.3Å; Y361-Q363 PolarHBondContact O-N 3.03Å; Q363-H367 VanDerWaalsContact O-CB 3.22Å; Q363-H367 WeakPolarHBondContact O-CB 3.21Å; Q363-H367 PolarHBondContact O-N 2.67Å
364	K	98.1	Very high	95.3	Very high	46 Å²	46	43.7 Å²	43.7	20%	0.2	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-46.3	176.3	-72.6	-55	-167.4	171.8	0	112.1	I305 F308 F349 V360 Y361 Y362 H367 I368	I305-K364 HydrophobicContact CD1-CG 4.24Å; F308-K364 HydrophobicContact CB-CD 3.63Å; F308-K364 VanDerWaalsContact CB-CE 3.48Å; F308-K364 HydrophobicContact CB-CG 4.36Å; F308-K364 HydrophobicContact CD1-CB 3.82Å; F308-K364 HydrophobicContact CD1-CD 3.91Å; F308-K364 HydrophobicContact CD1-CG 4.04Å; F308-K364 HydrophobicContact CD2-CD 4.43Å; F308-K364 HydrophobicContact CD2-CG 4.25Å; F308-K364 HydrophobicContact CE1-CB 3.72Å; F308-K364 HydrophobicContact CE1-CG 4.34Å; F308-K364 HydrophobicContact CG-CB 4.26Å; F308-K364 HydrophobicContact CG-CD 3.76Å; F308-K364 HydrophobicContact CG-CG 3.98Å; F308-K364 HydrophobicContact CZ-CB 4.1Å; F349-K364 HydrophobicContact CD1-CB 4.44Å; V360-K364 WeakPolarHBondContact O-CG 3.45Å; V360-K364 PolarHBondContact O-N 2.78Å; Y361-K364 PolarHBondContact O-N 2.93Å; Y361-K364 VanDerWaalsContact O-N 3.11Å; Y362-K364 VanDerWaalsContact C-N 3.33Å; Y362-K364 PolarHBondContact O-N 3.32Å; K364-H367 PolarHBondContact O-N 2.78Å; K364-I368 PolarHBondContact O-N 2.92Å
365	V	97.8	Very high	95.3	Very high	4 Å²	4	44 Å²	44	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-78.9	-30.4	-176.6	-63	0	0	0	0	113.5	L345 F349 Y361 Y362 I368 R369	L345-V365 HydrophobicContact CB-CG1 4.03Å; F349-V365 HydrophobicContact CB-CB 4.47Å; F349-V365 HydrophobicContact CB-CG1 3.64Å; F349-V365 HydrophobicContact CB-CG2 3.98Å; F349-V365 HydrophobicContact CD1-CG1 3.93Å; F349-V365 HydrophobicContact CG-CG1 3.82Å; Y361-V365 PolarHBondContact O-N 3.15Å; Y362-V365 WeakPolarHBondContact O-CG2 3.41Å; Y362-V365 PolarHBondContact O-N 2.92Å; V365-I368 PolarHBondContact O-N 2.96Å; V365-R369 PolarHBondContact O-N 3.32Å
366	M	96.6	Very high	95.3	Very high	19 Å²	19	51 Å²	51	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-69.8	-31.4	168.9	-71.3	-56	-69.5	0	0	112.7	Y362 I368 R369 K370	Y362-M366 HydrophobicContact CD1-CG 4.14Å; Y362-M366 HydrophobicContact CD2-CG 3.88Å; Y362-M366 HydrophobicContact CE1-CG 3.71Å; Y362-M366 HydrophobicContact CE2-CG 3.45Å; Y362-M366 VanDerWaalsContact CE2-CG 3.45Å; Y362-M366 HydrophobicContact CE2-SD 3.86Å; Y362-M366 HydrophobicContact CG-CG 4.21Å; Y362-M366 WeakPolarHBondContact O-CB 3.37Å; Y362-M366 WeakPolarHBondContact O-CG 3.24Å; Y362-M366 PolarHBondContact O-N 3.35Å; M366-I368 VanDerWaalsContact C-N 3.34Å; M366-R369 PolarHBondContact O-N 2.79Å; M366-K370 WeakPolarHBondContact O-CB 3.47Å; M366-K370 WeakPolarHBondContact O-CG 3.37Å; M366-K370 PolarHBondContact O-N 3.12Å
367	H	97.6	Very high	95.4	Very high	88 Å²	88	53.8 Å²	53.8	41%	0.407	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-38.4	174.4	180	83.1	0	0	0	112.1	T312 Q363 K364 K370 L371	T312-H367 PolarHBondContact O-NE2 2.85Å; Q363-H367 VanDerWaalsContact O-CB 3.22Å; Q363-H367 WeakPolarHBondContact O-CB 3.21Å; Q363-H367 PolarHBondContact O-N 2.67Å; K364-H367 PolarHBondContact O-N 2.78Å; H367-K370 PolarHBondContact O-N 2.92Å; H367-L371 WeakPolarHBondContact O-CB 3.34Å; H367-L371 PolarHBondContact O-N 3.49Å
368	I	98.1	Very high	95.4	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-57.8	-50.8	173.3	-68.9	163.3	0	0	0	110.5	F308 I314 P315 F342 K364 V365 M366 L371 L372	F308-I368 HydrophobicContact CE1-CD1 3.9Å; I314-I368 HydrophobicContact CD1-CB 4.35Å; I314-I368 HydrophobicContact CD1-CG1 3.98Å; I314-I368 HydrophobicContact CD1-CG2 4.16Å; P315-I368 HydrophobicContact CG-CD1 4.39Å; F342-I368 HydrophobicContact CB-CD1 4.49Å; F342-I368 HydrophobicContact CD2-CG2 3.84Å; F342-I368 HydrophobicContact CE2-CG2 4.36Å; F342-I368 WeakPolarHBondContact O-CD1 3.12Å; K364-I368 PolarHBondContact O-N 2.92Å; V365-I368 PolarHBondContact O-N 2.96Å; M366-I368 VanDerWaalsContact C-N 3.34Å; I368-L371 PolarHBondContact O-N 3.05Å; I368-L372 HydrophobicContact CG2-CD1 3.94Å; I368-L372 HydrophobicContact CG2-CG 4.41Å; I368-L372 WeakPolarHBondContact O-CG 3.31Å; I368-L372 PolarHBondContact O-N 2.94Å
369	R	95.3	Very high	95.4	Very high	19 Å²	19	55.2 Å²	55.2	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-47.9	177.1	-71.8	-173.6	178	166.2	-2.3	112.9	H346 V365 M366 L371 L372 A373 Y410 D422	H346-R369 PolarHBondContact CE1-NH1 2.84Å; H346-R369 PolarHBondContact NE2-NH1 3.4Å; V365-R369 PolarHBondContact O-N 3.32Å; M366-R369 PolarHBondContact O-N 2.79Å; R369-L371 PolarHBondContact O-N 3.37Å; R369-L371 VanDerWaalsContact O-N 3.1Å; R369-L372 PolarHBondContact O-N 3.13Å; R369-L372 VanDerWaalsContact O-N 3.11Å; R369-A373 WeakPolarHBondContact O-CB 3.39Å; R369-A373 PolarHBondContact O-N 2.96Å; R369-Y410 PolarHBondContact NH2-O 3.19Å; R369-D422 IonicContact CZ-OD2 3.2Å; R369-D422 IonicContact NH1-OD1 2.67Å; R369-D422 IonicContact NH1-OD2 2.68Å; R369-D422 PolarHBondContact NH1-OD2 2.9Å
370	K	95.7	Very high	95.4	Very high	95 Å²	95	54.1 Å²	54.1	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-15	177.4	-72.1	-177.6	177.6	-172.9	0	113.8	M366 H367 K374 E644	M366-K370 WeakPolarHBondContact O-CB 3.47Å; M366-K370 WeakPolarHBondContact O-CG 3.37Å; M366-K370 PolarHBondContact O-N 3.12Å; H367-K370 PolarHBondContact O-N 2.92Å; K370-K374 VanDerWaalsContact O-CD 3.27Å; K370-K374 WeakPolarHBondContact O-CD 3.41Å; K370-K374 WeakPolarHBondContact O-CE 3.41Å; K370-E644 IonicContact NZ-OE2 3.82Å
371	L	96.4	Very high	95.4	Very high	32 Å²	32	52.4 Å²	52.4	17%	0.168	26%	0.264	C	S	.	.	H	α-helix	trans	-86.7	-53.6	167.9	-171.8	156.1	0	0	0	110.7	T312 I314 H367 I368 R369 A373 K374 M375 L386	T312-L371 WeakPolarHBondContact O-CD1 3.28Å; I314-L371 HydrophobicContact CD1-CD1 4.21Å; I314-L371 HydrophobicContact CD1-CD2 4.28Å; I314-L371 HydrophobicContact CG1-CD1 4.12Å; H367-L371 WeakPolarHBondContact O-CB 3.34Å; H367-L371 PolarHBondContact O-N 3.49Å; I368-L371 PolarHBondContact O-N 3.05Å; R369-L371 PolarHBondContact O-N 3.37Å; R369-L371 VanDerWaalsContact O-N 3.1Å; L371-A373 VanDerWaalsContact C-N 3.31Å; L371-A373 PolarHBondContact O-N 3.2Å; L371-K374 PolarHBondContact O-N 3.46Å; L371-M375 HydrophobicContact CD2-CG 4.04Å; L371-M375 HydrophobicContact CD2-SD 3.59Å; L371-M375 VanDerWaalsContact CD2-SD 3.59Å; L371-L386 HydrophobicContact CD2-CD2 4.19Å
372	L	96.3	Very high	95.4	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-40.6	-179.7	-70.6	175.5	0	0	0	113	F342 I368 R369 K374 M375 L386 W393 F407	F342-L372 HydrophobicContact CE2-CD1 4.25Å; F342-L372 HydrophobicContact CE2-CD2 4.25Å; I368-L372 HydrophobicContact CG2-CD1 3.94Å; I368-L372 HydrophobicContact CG2-CG 4.41Å; I368-L372 WeakPolarHBondContact O-CG 3.31Å; I368-L372 PolarHBondContact O-N 2.94Å; R369-L372 PolarHBondContact O-N 3.13Å; R369-L372 VanDerWaalsContact O-N 3.11Å; L372-K374 PolarHBondContact O-N 3.47Å; L372-K374 VanDerWaalsContact O-N 3.11Å; L372-M375 HydrophobicContact CD2-SD 4.4Å; L372-M375 PolarHBondContact O-N 3.14Å; L372-L386 HydrophobicContact CD2-CD2 3.9Å; L372-W393 HydrophobicContact CD2-CH2 3.67Å; L372-W393 HydrophobicContact CD2-CZ2 4.4Å; L372-W393 HydrophobicContact CD2-CZ3 4.42Å; L372-F407 HydrophobicContact CD1-CE2 3.68Å; L372-F407 HydrophobicContact CD1-CZ 4.15Å
373	A	93.4	Very high	95.4	Very high	67 Å²	67	50.8 Å²	50.8	55%	0.554	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.7	177.5	0	0	0	0	0	114.1	R369 L371	R369-A373 WeakPolarHBondContact O-CB 3.39Å; R369-A373 PolarHBondContact O-N 2.96Å; L371-A373 VanDerWaalsContact C-N 3.31Å; L371-A373 PolarHBondContact O-N 3.2Å
374	K	93.8	Very high	95.5	Very high	177 Å²	177	46 Å²	46	77%	0.77	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	1.4	176.3	-60.7	175.1	-173.3	167	0	113.1	K370 L371 L372	K370-K374 VanDerWaalsContact O-CD 3.27Å; K370-K374 WeakPolarHBondContact O-CD 3.41Å; K370-K374 WeakPolarHBondContact O-CE 3.41Å; L371-K374 PolarHBondContact O-N 3.46Å; L372-K374 PolarHBondContact O-N 3.47Å; L372-K374 VanDerWaalsContact O-N 3.11Å
375	M	94.2	Very high	95.4	Very high	32 Å²	32	44.8 Å²	44.8	16%	0.158	23%	0.23	C	C	.	.	S	Bend	trans	-94	140.2	179.3	-65.9	-166	71.6	0	0	111.4	L371 L372 R377 L386 G391 W393	L371-M375 HydrophobicContact CD2-CG 4.04Å; L371-M375 HydrophobicContact CD2-SD 3.59Å; L371-M375 VanDerWaalsContact CD2-SD 3.59Å; L372-M375 HydrophobicContact CD2-SD 4.4Å; L372-M375 PolarHBondContact O-N 3.14Å; M375-R377 PolarHBondContact O-N 3.47Å; M375-L386 HydrophobicContact CE-CD1 3.61Å; M375-L386 HydrophobicContact SD-CD1 3.68Å; M375-L386 HydrophobicContact SD-CD2 4.11Å; M375-G391 VanDerWaalsContact CE-O 3.28Å; M375-G391 WeakPolarHBondContact CE-O 3.33Å; M375-W393 HydrophobicContact CB-CZ2 4.08Å; M375-W393 HydrophobicContact CE-CD2 3.78Å; M375-W393 HydrophobicContact CE-CE3 4.45Å; M375-W393 HydrophobicContact CE-CG 4Å; M375-W393 HydrophobicContact CE-CZ2 4.04Å; M375-W393 HydrophobicContact SD-CH2 4.27Å; M375-W393 HydrophobicContact SD-CZ2 3.89Å
376	D	92.8	Very high	95.5	Very high	147 Å²	147	44.6 Å²	44.6	79%	0.786	23%	0.228	S	C	*	.			trans	-61.3	126.5	168.4	-65.4	-50.3	0	0	0	110.2	P378 W393	D376-P378 WeakPolarHBondContact O-CD 3.42Å; D376-W393 PolarHBondContact O-NE1 3.28Å
377	R	92.7	Very high	95.5	Very high	77 Å²	77	44.9 Å²	44.9	29%	0.291	23%	0.23	S	C	.	.			trans	-99.1	105	178.3	-61	-175.4	-64.2	-169.4	-1.3	109.5	M375 N379 G380 Y382 D431	M375-R377 PolarHBondContact O-N 3.47Å; R377-N379 PolarHBondContact O-N 2.86Å; R377-N379 VanDerWaalsContact O-N 3.09Å; R377-G380 PolarHBondContact O-N 2.86Å; R377-Y382 WeakPolarHBondContact CD-OH 3.33Å; R377-Y382 HydrophobicContact CG-CE1 4.39Å; R377-Y382 PolarHBondContact NH1-OH 3.26Å; R377-D431 IonicContact CZ-OD2 3.23Å; R377-D431 IonicContact NH1-OD2 3.1Å; R377-D431 PolarHBondContact NH1-OD2 2.85Å; R377-D431 IonicContact NH2-OD2 2.94Å; R377-D431 PolarHBondContact NH2-OD2 2.98Å
378	P	91.3	Very high	95.5	Very high	32 Å²	32	40.7 Å²	40.7	21%	0.208	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.7	113.4	-177	24	-33.7	0	0	0	111.5	D376 G380 L381 P383	D376-P378 WeakPolarHBondContact O-CD 3.42Å; P378-G380 PolarHBondContact O-N 2.61Å; P378-L381 WeakPolarHBondContact CD-O 3.37Å; P378-L381 WeakPolarHBondContact O-CB 3.32Å; P378-L381 PolarHBondContact O-N 3.23Å; P378-P383 HydrophobicContact CG-CG 3.71Å
379	N	91.6	Very high	95.4	Very high	93 Å²	93	48 Å²	48	50%	0.497	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	61.8	23.9	-170.6	-41.1	-78.5	0	0	0	114.3	R377 L381	R377-N379 PolarHBondContact O-N 2.86Å; R377-N379 VanDerWaalsContact O-N 3.09Å; N379-L381 PolarHBondContact O-N 3.08Å
380	G	94.4	Very high	95.4	Very high	21 Å²	21	51.1 Å²	51.1	22%	0.216	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	79	-9.9	-172.7	0	0	0	0	0	114.4	R377 P378	R377-G380 PolarHBondContact O-N 2.86Å; P378-G380 PolarHBondContact O-N 2.61Å
381	L	96.7	Very high	95.4	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-80.1	152.1	-179.8	-59.3	174.8	0	0	0	112.1	P378 N379 T398 A435 I436 H439 L440 W454	P378-L381 WeakPolarHBondContact CD-O 3.37Å; P378-L381 WeakPolarHBondContact O-CB 3.32Å; P378-L381 PolarHBondContact O-N 3.23Å; N379-L381 PolarHBondContact O-N 3.08Å; L381-T398 HydrophobicContact CB-CG2 4.17Å; L381-T398 HydrophobicContact CD2-CG2 4.37Å; L381-A435 HydrophobicContact CD2-CB 3.89Å; L381-I436 HydrophobicContact CD2-CG1 4.4Å; L381-H439 HydrophobicContact CD1-CB 3.95Å; L381-H439 HydrophobicContact CD2-CB 4.36Å; L381-L440 HydrophobicContact CD1-CD1 3.77Å; L381-L440 HydrophobicContact CD2-CD1 3.7Å; L381-L440 HydrophobicContact CG-CD1 4.42Å; L381-W454 HydrophobicContact CD1-CB 4.16Å; L381-W454 HydrophobicContact CD1-CD2 4.07Å; L381-W454 HydrophobicContact CD1-CG 3.71Å
382	Y	97.3	Very high	95.3	Very high	4 Å²	4	55 Å²	55	2%	0.016	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-97.2	120.5	172.3	-67.4	-102	0	0	0	109.9	R377 W393 T398 F407 Y408 T428 A432	R377-Y382 WeakPolarHBondContact CD-OH 3.33Å; R377-Y382 HydrophobicContact CG-CE1 4.39Å; R377-Y382 PolarHBondContact NH1-OH 3.26Å; Y382-W393 HydrophobicContact CD1-CH2 4.12Å; Y382-W393 HydrophobicContact CD1-CZ2 4.43Å; Y382-T398 WeakPolarHBondContact O-CB 3.43Å; Y382-T398 VanDerWaalsContact O-CG2 3.29Å; Y382-T398 WeakPolarHBondContact O-CG2 3.33Å; Y382-T398 PolarHBondContact O-OG1 2.61Å; Y382-F407 AromaticContact CD1-CE1 3.8Å; Y382-F407 HydrophobicContact CD1-CE1 3.8Å; Y382-F407 AromaticContact CD1-CZ 3.79Å; Y382-F407 HydrophobicContact CD1-CZ 3.79Å; Y382-F407 AromaticContact CD2-CE1 3.91Å; Y382-F407 HydrophobicContact CD2-CE1 3.91Å; Y382-F407 HydrophobicContact CD2-CZ 4.48Å; Y382-F407 HydrophobicContact CE1-CE1 4.09Å; Y382-F407 AromaticContact CE1-CZ 3.73Å; Y382-F407 HydrophobicContact CE1-CZ 3.73Å; Y382-F407 HydrophobicContact CE2-CE1 4.2Å; Y382-F407 HydrophobicContact CE2-CZ 4.43Å; Y382-F407 AromaticContact CG-CE1 3.71Å; Y382-F407 HydrophobicContact CG-CE1 3.71Å; Y382-F407 HydrophobicContact CG-CZ 4.18Å; Y382-Y408 HydrophobicContact CD2-CE1 4.07Å; Y382-T428 VanDerWaalsContact OH-CG2 3.25Å; Y382-T428 WeakPolarHBondContact OH-CG2 3.18Å; Y382-A432 HydrophobicContact CD2-CB 4.43Å; Y382-A432 HydrophobicContact CE2-CB 4.01Å
383	P	96.9	Very high	95.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-67.6	139.2	171.1	-23.6	35.8	0	0	0	112.3	P378 Y385 W393 H397	P378-P383 HydrophobicContact CG-CG 3.71Å; P383-Y385 PolarHBondContact O-N 2.82Å; P383-W393 HydrophobicContact CB-CB 4.28Å; P383-W393 HydrophobicContact CB-CD2 4.03Å; P383-W393 HydrophobicContact CB-CE3 3.83Å; P383-W393 HydrophobicContact CB-CG 4.24Å; P383-W393 HydrophobicContact CB-CZ3 4.46Å; P383-W393 HydrophobicContact CG-CB 4.12Å; P383-W393 HydrophobicContact CG-CD2 3.7Å; P383-W393 HydrophobicContact CG-CE3 4Å; P383-W393 HydrophobicContact CG-CG 3.75Å; P383-W393 VanDerWaalsContact O-CZ3 3.29Å; P383-W393 WeakPolarHBondContact O-CZ3 3.38Å; P383-H397 WeakPolarHBondContact CA-O 3.43Å
384	N	97.6	Very high	95.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-69.5	0.6	-175.7	-69.3	13.5	0	0	0	114.5	I338 L339 H397 T398 S399 L403	I338-N384 WeakPolarHBondContact CA-O 2.95Å; L339-N384 PolarHBondContact N-O 3.29Å; N384-H397 WeakPolarHBondContact CB-O 3.45Å; N384-H397 PolarHBondContact N-O 2.67Å; N384-H397 PolarHBondContact OD1-O 3.29Å; N384-T398 WeakPolarHBondContact OD1-CA 3.29Å; N384-S399 WeakPolarHBondContact ND2-CB 3.11Å; N384-S399 PolarHBondContact ND2-N 2.81Å; N384-S399 PolarHBondContact OD1-N 3.04Å; N384-L403 HydrophobicContact CB-CB 4.01Å; N384-L403 WeakPolarHBondContact CB-O 3.32Å
385	Y	97.9	Very high	95.2	Very high	21 Å²	21	51.3 Å²	51.3	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	116.2	-174.2	-61.9	-79.3	0	0	0	111.5	W331 A332 I338 P383 W393 G394 Q395 H397 L403	W331-Y385 HydrophobicContact CZ3-CE1 4.18Å; A332-Y385 HydrophobicContact CB-CE1 4.47Å; I338-Y385 HydrophobicContact CD1-CD1 3.62Å; I338-Y385 HydrophobicContact CD1-CE1 3.49Å; I338-Y385 VanDerWaalsContact CD1-CE1 3.49Å; P383-Y385 PolarHBondContact O-N 2.82Å; Y385-W393 CarbonylContact O-C 3.47Å; Y385-W393 WeakPolarHBondContact O-CA 3.37Å; Y385-G394 PolarHBondContact O-N 2.69Å; Y385-Q395 HydrophobicContact CD2-CB 4.4Å; Y385-H397 HydrophobicContact CE2-CB 4.43Å; Y385-L403 WeakPolarHBondContact OH-CD1 3.29Å
386	L	98	Very high	95.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.6	175.2	-179.4	53.5	0	0	0	111.4	I314 S336 S337 F342 L371 L372 M375 P388 W393	I314-L386 HydrophobicContact CD1-CD2 3.86Å; I314-L386 HydrophobicContact CG1-CD2 3.79Å; I314-L386 HydrophobicContact CG1-CG 4.33Å; I314-L386 HydrophobicContact CG2-CD2 4.46Å; S336-L386 WeakPolarHBondContact CA-O 3.47Å; S336-L386 VanDerWaalsContact CB-C 3.49Å; S336-L386 WeakPolarHBondContact CB-O 3.43Å; S337-L386 PolarHBondContact N-O 3.33Å; S337-L386 PolarHBondContact O-N 3.18Å; F342-L386 HydrophobicContact CE1-CB 3.68Å; F342-L386 HydrophobicContact CE1-CD2 4.34Å; F342-L386 HydrophobicContact CE2-CD2 4.09Å; F342-L386 HydrophobicContact CZ-CB 3.57Å; F342-L386 HydrophobicContact CZ-CD2 3.65Å; F342-L386 HydrophobicContact CZ-CG 4.22Å; L371-L386 HydrophobicContact CD2-CD2 4.19Å; L372-L386 HydrophobicContact CD2-CD2 3.9Å; M375-L386 HydrophobicContact CE-CD1 3.61Å; M375-L386 HydrophobicContact SD-CD1 3.68Å; M375-L386 HydrophobicContact SD-CD2 4.11Å; L386-P388 VanDerWaalsContact O-CD 3.31Å; L386-P388 WeakPolarHBondContact O-CD 3.5Å; L386-W393 HydrophobicContact CB-CE3 4.1Å; L386-W393 HydrophobicContact CB-CZ3 3.99Å; L386-W393 HydrophobicContact CD1-CE3 4.08Å; L386-W393 HydrophobicContact CD1-CZ3 4.32Å; L386-W393 HydrophobicContact CD2-CZ3 4.37Å; L386-W393 HydrophobicContact CG-CZ3 4.46Å
387	N	97.6	Very high	95.3	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.134	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	114.7	-178	-175	-70.8	0	0	0	111.7	A334 S336 R389 T390 G391 R392	A334-N387 PolarHBondContact O-ND2 2.94Å; S336-N387 PolarHBondContact OG-N 2.72Å; N387-R389 PolarHBondContact O-N 3.3Å; N387-R389 VanDerWaalsContact O-N 3.15Å; N387-R389 WeakPolarHBondContact OD1-CA 3.41Å; N387-R389 WeakPolarHBondContact OD1-CB 3.49Å; N387-R389 PolarHBondContact OD1-N 3.28Å; N387-T390 WeakPolarHBondContact CB-OG1 3.43Å; N387-T390 PolarHBondContact O-N 3.43Å; N387-T390 PolarHBondContact OD1-N 3.44Å; N387-T390 PolarHBondContact OD1-OG1 3.41Å; N387-G391 PolarHBondContact O-N 2.79Å; N387-R392 WeakPolarHBondContact CB-O 3.04Å; N387-R392 PolarHBondContact N-O 3.26Å
388	P	97.5	Very high	95.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-3.6	-172.7	33.6	-39.9	0	0	0	114.1	T310 P311 T312 I314 W316 N328 S337 L386	T310-P388 WeakPolarHBondContact CB-O 3.2Å; T310-P388 HydrophobicContact CG2-CB 4.12Å; T310-P388 PolarHBondContact OG1-O 3.25Å; P311-P388 WeakPolarHBondContact CD-O 3.39Å; T312-P388 WeakPolarHBondContact CB-O 3.41Å; T312-P388 VanDerWaalsContact CG2-O 3.25Å; T312-P388 WeakPolarHBondContact CG2-O 3.15Å; T312-P388 PolarHBondContact N-O 2.89Å; T312-P388 VanDerWaalsContact OG1-C 3.28Å; T312-P388 VanDerWaalsContact OG1-CA 3.29Å; T312-P388 WeakPolarHBondContact OG1-CA 3.39Å; T312-P388 PolarHBondContact OG1-O 3.03Å; I314-P388 HydrophobicContact CB-CB 4.03Å; I314-P388 HydrophobicContact CG2-CB 4.23Å; I314-P388 WeakPolarHBondContact O-CB 3.03Å; W316-P388 HydrophobicContact CE3-CG 3.96Å; W316-P388 HydrophobicContact CH2-CG 3.92Å; W316-P388 HydrophobicContact CZ3-CG 3.44Å; W316-P388 VanDerWaalsContact CZ3-CG 3.44Å; N328-P388 WeakPolarHBondContact ND2-CG 3.46Å; S337-P388 WeakPolarHBondContact OG-CG 3.18Å; L386-P388 VanDerWaalsContact O-CD 3.31Å; L386-P388 WeakPolarHBondContact O-CD 3.5Å
389	R	96.4	Very high	95.7	Very high	157 Å²	157	43.6 Å²	43.6	59%	0.592	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-28	174.2	-59.2	-175.3	-176.8	-85	-5.5	113	P311 W316 N387	P311-R389 HydrophobicContact CG-CB 4.41Å; W316-R389 HydrophobicContact CH2-CG 3.92Å; W316-R389 VanDerWaalsContact CH2-CZ 3.48Å; W316-R389 VanDerWaalsContact CH2-NH2 3.32Å; N387-R389 PolarHBondContact O-N 3.3Å; N387-R389 VanDerWaalsContact O-N 3.15Å; N387-R389 WeakPolarHBondContact OD1-CA 3.41Å; N387-R389 WeakPolarHBondContact OD1-CB 3.49Å; N387-R389 PolarHBondContact OD1-N 3.28Å
390	T	95.6	Very high	95.8	Very high	85 Å²	85	39.2 Å²	39.2	52%	0.521	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-14.3	-172.5	63.7	0	0	0	0	114.7	N387 R392	N387-T390 WeakPolarHBondContact CB-OG1 3.43Å; N387-T390 PolarHBondContact O-N 3.43Å; N387-T390 PolarHBondContact OD1-N 3.44Å; N387-T390 PolarHBondContact OD1-OG1 3.41Å; T390-R392 VanDerWaalsContact C-N 3.3Å; T390-R392 PolarHBondContact O-N 3.33Å
391	G	94.9	Very high	95.8	Very high	23 Å²	23	38.4 Å²	38.4	24%	0.237	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	30.1	-179.1	0	0	0	0	0	112.9	T312 M375 N387	T312-G391 VanDerWaalsContact CG2-N 3.29Å; M375-G391 VanDerWaalsContact CE-O 3.28Å; M375-G391 WeakPolarHBondContact CE-O 3.33Å; N387-G391 PolarHBondContact O-N 2.79Å
392	R	94.9	Very high	95.6	Very high	184 Å²	184	39.7 Å²	39.7	69%	0.694	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	145	-179.6	-63.2	-176.2	-179.3	-169.8	-1.8	110.8	N387 T390	N387-R392 WeakPolarHBondContact CB-O 3.04Å; N387-R392 PolarHBondContact N-O 3.26Å; T390-R392 VanDerWaalsContact C-N 3.3Å; T390-R392 PolarHBondContact O-N 3.33Å
393	W	95.5	Very high	95.5	Very high	40 Å²	40	41.7 Å²	41.7	15%	0.152	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	145.6	169.3	-59.9	126.4	0	0	0	111.4	L372 M375 D376 Y382 P383 Y385 L386	L372-W393 HydrophobicContact CD2-CH2 3.67Å; L372-W393 HydrophobicContact CD2-CZ2 4.4Å; L372-W393 HydrophobicContact CD2-CZ3 4.42Å; M375-W393 HydrophobicContact CB-CZ2 4.08Å; M375-W393 HydrophobicContact CE-CD2 3.78Å; M375-W393 HydrophobicContact CE-CE3 4.45Å; M375-W393 HydrophobicContact CE-CG 4Å; M375-W393 HydrophobicContact CE-CZ2 4.04Å; M375-W393 HydrophobicContact SD-CH2 4.27Å; M375-W393 HydrophobicContact SD-CZ2 3.89Å; D376-W393 PolarHBondContact O-NE1 3.28Å; Y382-W393 HydrophobicContact CD1-CH2 4.12Å; Y382-W393 HydrophobicContact CD1-CZ2 4.43Å; P383-W393 HydrophobicContact CB-CB 4.28Å; P383-W393 HydrophobicContact CB-CD2 4.03Å; P383-W393 HydrophobicContact CB-CE3 3.83Å; P383-W393 HydrophobicContact CB-CG 4.24Å; P383-W393 HydrophobicContact CB-CZ3 4.46Å; P383-W393 HydrophobicContact CG-CB 4.12Å; P383-W393 HydrophobicContact CG-CD2 3.7Å; P383-W393 HydrophobicContact CG-CE3 4Å; P383-W393 HydrophobicContact CG-CG 3.75Å; P383-W393 VanDerWaalsContact O-CZ3 3.29Å; P383-W393 WeakPolarHBondContact O-CZ3 3.38Å; Y385-W393 CarbonylContact O-C 3.47Å; Y385-W393 WeakPolarHBondContact O-CA 3.37Å; L386-W393 HydrophobicContact CB-CE3 4.1Å; L386-W393 HydrophobicContact CB-CZ3 3.99Å; L386-W393 HydrophobicContact CD1-CE3 4.08Å; L386-W393 HydrophobicContact CD1-CZ3 4.32Å; L386-W393 HydrophobicContact CD2-CZ3 4.37Å; L386-W393 HydrophobicContact CG-CZ3 4.46Å
394	G	93.6	Very high	95.5	Very high	21 Å²	21	41.7 Å²	41.7	22%	0.216	21%	0.207	C	C	.	.			trans	-83.8	-133.9	167.9	0	0	0	0	0	111.1	Y385	Y385-G394 PolarHBondContact O-N 2.69Å
395	Q	92.6	Very high	95.5	Very high	114 Å²	114	42.4 Å²	42.4	53%	0.533	21%	0.211	S	C	.	.	S	Bend	trans	-61.7	137.6	171.3	-80.7	160	-14.6	0	0	111.8	S333 Y385 H397	S333-Q395 WeakPolarHBondContact OG-CB 3.17Å; S333-Q395 WeakPolarHBondContact OG-CG 3.42Å; S333-Q395 PolarHBondContact OG-N 2.7Å; S333-Q395 PolarHBondContact OG-OE1 3.41Å; Y385-Q395 HydrophobicContact CD2-CB 4.4Å; Q395-H397 PolarHBondContact O-N 2.94Å
396	H	92.9	Very high	95.5	Very high	86 Å²	86	41.6 Å²	41.6	40%	0.398	21%	0.208	S	C	.	.			trans	-78.8	66.9	175.3	-63.7	177.7	0	0	0	110.7	N456	H396-N456 PolarHBondContact O-N 3.44Å
397	H	95	Very high	95.6	Very high	28 Å²	28	41.9 Å²	41.9	13%	0.13	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.2	167.5	173.4	-161	0	0	0	108	P383 N384 Y385 Q395 E453 W454 K455	P383-H397 WeakPolarHBondContact CA-O 3.43Å; N384-H397 WeakPolarHBondContact CB-O 3.45Å; N384-H397 PolarHBondContact N-O 2.67Å; N384-H397 PolarHBondContact OD1-O 3.29Å; Y385-H397 HydrophobicContact CE2-CB 4.43Å; Q395-H397 PolarHBondContact O-N 2.94Å; H397-E453 IonicContact CD2-OE2 3.75Å; H397-E453 IonicContact CE1-OE2 3.85Å; H397-E453 PolarHBondContact CE1-OE2 3.29Å; H397-E453 IonicContact NE2-OE2 3.89Å; H397-E453 PolarHBondContact NE2-OE2 3.12Å; H397-W454 CarbonylContact C-O 3.59Å; H397-W454 VanDerWaalsContact CA-O 3.28Å; H397-W454 WeakPolarHBondContact CA-O 3.37Å; H397-K455 HydrophobicContact CB-CG 4.31Å; H397-K455 WeakPolarHBondContact NE2-CE 3.46Å
398	T	96.9	Very high	95.6	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.8	171.9	-60.1	0	0	0	0	108.9	L381 Y382 N384 Y408 L440 W454	L381-T398 HydrophobicContact CB-CG2 4.17Å; L381-T398 HydrophobicContact CD2-CG2 4.37Å; Y382-T398 WeakPolarHBondContact O-CB 3.43Å; Y382-T398 VanDerWaalsContact O-CG2 3.29Å; Y382-T398 WeakPolarHBondContact O-CG2 3.33Å; Y382-T398 PolarHBondContact O-OG1 2.61Å; N384-T398 WeakPolarHBondContact OD1-CA 3.29Å; T398-Y408 WeakPolarHBondContact CG2-OH 3.28Å; T398-L440 HydrophobicContact CG2-CD2 4.33Å; T398-W454 PolarHBondContact N-O 3.46Å; T398-W454 PolarHBondContact O-N 3.26Å
399	S	95.8	Very high	95.7	Very high	9 Å²	9	41 Å²	41	6%	0.063	21%	0.205	C	C	.	.			trans	-138.1	149.6	176.9	-171.5	0	0	0	0	109.7	N384 G401	N384-S399 WeakPolarHBondContact ND2-CB 3.11Å; N384-S399 PolarHBondContact ND2-N 2.81Å; N384-S399 PolarHBondContact OD1-N 3.04Å; S399-G401 PolarHBondContact OG-N 3.2Å; S399-G401 PolarHBondContact OG-O 2.96Å
400	L	94.8	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-101.9	7.8	164.7	-139	76.6	0	0	0	112.9	Y408 I436 I451 A467 F469 A470 M473 F474	L400-Y408 HydrophobicContact CD1-CD1 4.46Å; L400-Y408 HydrophobicContact CD1-CD2 3.4Å; L400-Y408 VanDerWaalsContact CD1-CD2 3.4Å; L400-Y408 HydrophobicContact CD1-CE2 3.62Å; L400-Y408 HydrophobicContact CD1-CG 3.87Å; L400-Y408 HydrophobicContact CG-CD2 4.47Å; L400-I436 HydrophobicContact CD1-CD1 3.35Å; L400-I436 HydrophobicContact CD1-CG1 3.99Å; L400-I436 HydrophobicContact CD1-CG2 4.25Å; L400-I436 HydrophobicContact CD2-CG2 4.03Å; L400-I451 HydrophobicContact CB-CG2 3.77Å; L400-I451 HydrophobicContact CD2-CD1 3.64Å; L400-I451 HydrophobicContact CD2-CG2 4.24Å; L400-A467 WeakPolarHBondContact O-CA 3.25Å; L400-A467 WeakPolarHBondContact O-CB 3.4Å; L400-F469 HydrophobicContact CG-CE1 4.41Å; L400-F469 WeakPolarHBondContact O-CE1 3.36Å; L400-A470 HydrophobicContact CD2-CB 3.7Å; L400-M473 HydrophobicContact CD2-CE 4.26Å; L400-F474 HydrophobicContact CD2-CZ 4.1Å
401	G	93.4	Very high	95.9	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	-108.3	-150.6	155.1	0	0	0	0	0	109.4	S399 G404 D405	S399-G401 PolarHBondContact OG-N 3.2Å; S399-G401 PolarHBondContact OG-O 2.96Å; G401-G404 PolarHBondContact O-N 3.21Å; G401-D405 VanDerWaalsContact C-CG 3.48Å; G401-D405 PolarHBondContact O-N 2.89Å
402	G	91.7	Very high	96.1	Very high	29 Å²	29	28.8 Å²	28.8	30%	0.299	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.1	137.8	-170.6	0	0	0	0	0	115.9	G404 D405	G402-G404 VanDerWaalsContact C-N 3.29Å; G402-D405 WeakPolarHBondContact CA-OD2 3.48Å; G402-D405 PolarHBondContact N-OD2 2.99Å
403	L	96.1	Very high	96.3	Very high	47 Å²	47	20.2 Å²	20.2	25%	0.246	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-2.6	-176.5	-45.8	176.4	0	0	0	115.1	W331 I338 A340 N384 Y385	W331-L403 HydrophobicContact CH2-CD2 3.95Å; W331-L403 HydrophobicContact CZ3-CD1 4.5Å; I338-L403 HydrophobicContact CD1-CD2 4.32Å; I338-L403 HydrophobicContact CG1-CD2 4.28Å; I338-L403 HydrophobicContact CG2-CB 3.61Å; I338-L403 HydrophobicContact CG2-CD2 3.69Å; I338-L403 HydrophobicContact CG2-CG 4.24Å; I338-L403 WeakPolarHBondContact CG2-O 3.37Å; A340-L403 PolarHBondContact N-O 2.83Å; N384-L403 HydrophobicContact CB-CB 4.01Å; N384-L403 WeakPolarHBondContact CB-O 3.32Å; Y385-L403 WeakPolarHBondContact OH-CD1 3.29Å
404	G	96.9	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.5	-44.7	-177.6	0	0	0	0	0	114.9	G401 G402 S406 F407 Y408	G401-G404 PolarHBondContact O-N 3.21Å; G402-G404 VanDerWaalsContact C-N 3.29Å; G404-S406 PolarHBondContact O-N 3.37Å; G404-F407 WeakPolarHBondContact O-CB 3.4Å; G404-F407 PolarHBondContact O-N 2.95Å; G404-Y408 WeakPolarHBondContact O-CD2 3.38Å; G404-Y408 WeakPolarHBondContact O-CE2 3.41Å
405	D	97.8	Very high	96.6	Very high	15 Å²	15	18.1 Å²	18.1	8%	0.08	10%	0.095	C	C	.	.	H	α-helix	trans	-12.8	-82.5	169.3	39.6	29.5	0	0	0	117.3	A340 G401 G402 F407 Y408 F469	A340-D405 WeakPolarHBondContact CB-OD1 3.5Å; G401-D405 VanDerWaalsContact C-CG 3.48Å; G401-D405 PolarHBondContact O-N 2.89Å; G402-D405 WeakPolarHBondContact CA-OD2 3.48Å; G402-D405 PolarHBondContact N-OD2 2.99Å; D405-F407 PolarHBondContact O-N 3.12Å; D405-F407 VanDerWaalsContact O-N 3.15Å; D405-Y408 WeakPolarHBondContact O-CD2 3.49Å; D405-Y408 PolarHBondContact O-N 3.43Å; D405-Y408 VanDerWaalsContact O-N 3.12Å; D405-F469 HydrophobicContact CB-CD1 4.1Å; D405-F469 HydrophobicContact CB-CE1 3.65Å; D405-F469 HydrophobicContact CB-CZ 4.33Å; D405-F469 WeakPolarHBondContact O-CZ 3.29Å
406	S	98.4	Very high	96.8	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-75.6	-7.4	-164.3	56.6	0	0	0	0	114.6	T344 G404 E409 Y410 T625	T344-S406 WeakPolarHBondContact CG2-OG 3.47Å; T344-S406 WeakPolarHBondContact OG1-CB 3.47Å; T344-S406 PolarHBondContact OG1-O 3.42Å; T344-S406 PolarHBondContact OG1-OG 3.28Å; G404-S406 PolarHBondContact O-N 3.37Å; S406-E409 WeakPolarHBondContact CB-OE2 3.45Å; S406-E409 WeakPolarHBondContact O-CB 2.98Å; S406-Y410 WeakPolarHBondContact O-CB 3.49Å; S406-Y410 PolarHBondContact O-N 3.2Å; S406-T625 WeakPolarHBondContact CB-OG1 3.43Å
407	F	98.7	Very high	96.9	Very high	7 Å²	7	9.9 Å²	9.9	3%	0.031	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-43.2	167.2	159.7	-103.8	0	0	0	111.2	L339 T344 L372 Y382 G404 D405 E409 Y410 L411	L339-F407 HydrophobicContact CD1-CB 4.39Å; L339-F407 HydrophobicContact CD1-CD1 3.86Å; L339-F407 HydrophobicContact CD1-CD2 4.02Å; L339-F407 HydrophobicContact CD1-CE1 4.11Å; L339-F407 HydrophobicContact CD1-CE2 4.26Å; L339-F407 HydrophobicContact CD1-CG 3.81Å; L339-F407 HydrophobicContact CD1-CZ 4.3Å; L339-F407 HydrophobicContact CD2-CD1 3.79Å; L339-F407 HydrophobicContact CD2-CE1 4.3Å; L339-F407 HydrophobicContact CD2-CG 4.3Å; L339-F407 HydrophobicContact CG-CB 3.94Å; L339-F407 HydrophobicContact CG-CD1 3.82Å; L339-F407 HydrophobicContact CG-CD2 4.49Å; L339-F407 HydrophobicContact CG-CE1 4.47Å; L339-F407 HydrophobicContact CG-CG 3.81Å; T344-F407 PolarHBondContact OG1-N 3.24Å; L372-F407 HydrophobicContact CD1-CE2 3.68Å; L372-F407 HydrophobicContact CD1-CZ 4.15Å; Y382-F407 AromaticContact CD1-CE1 3.8Å; Y382-F407 HydrophobicContact CD1-CE1 3.8Å; Y382-F407 AromaticContact CD1-CZ 3.79Å; Y382-F407 HydrophobicContact CD1-CZ 3.79Å; Y382-F407 AromaticContact CD2-CE1 3.91Å; Y382-F407 HydrophobicContact CD2-CE1 3.91Å; Y382-F407 HydrophobicContact CD2-CZ 4.48Å; Y382-F407 HydrophobicContact CE1-CE1 4.09Å; Y382-F407 AromaticContact CE1-CZ 3.73Å; Y382-F407 HydrophobicContact CE1-CZ 3.73Å; Y382-F407 HydrophobicContact CE2-CE1 4.2Å; Y382-F407 HydrophobicContact CE2-CZ 4.43Å; Y382-F407 AromaticContact CG-CE1 3.71Å; Y382-F407 HydrophobicContact CG-CE1 3.71Å; Y382-F407 HydrophobicContact CG-CZ 4.18Å; G404-F407 WeakPolarHBondContact O-CB 3.4Å; G404-F407 PolarHBondContact O-N 2.95Å; D405-F407 PolarHBondContact O-N 3.12Å; D405-F407 VanDerWaalsContact O-N 3.15Å; F407-E409 VanDerWaalsContact C-N 3.35Å; F407-Y410 PolarHBondContact O-N 3.02Å; F407-L411 HydrophobicContact CE1-CD1 4.03Å; F407-L411 HydrophobicContact CE2-CD1 4.27Å; F407-L411 HydrophobicContact CE2-CD2 4.31Å; F407-L411 HydrophobicContact CE2-CG 4.37Å; F407-L411 HydrophobicContact CZ-CD1 3.82Å; F407-L411 HydrophobicContact CZ-CG 4.41Å; F407-L411 WeakPolarHBondContact O-CG 3.37Å; F407-L411 PolarHBondContact O-N 3.44Å
408	Y	98.7	Very high	96.9	Very high	1 Å²	1	9.1 Å²	9.1	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-69.1	-38.9	179.5	-55.9	-78.8	0	0	0	110.9	Y382 T398 L400 G404 D405 L411 L412 A432 I436	Y382-Y408 HydrophobicContact CD2-CE1 4.07Å; T398-Y408 WeakPolarHBondContact CG2-OH 3.28Å; L400-Y408 HydrophobicContact CD1-CD1 4.46Å; L400-Y408 HydrophobicContact CD1-CD2 3.4Å; L400-Y408 VanDerWaalsContact CD1-CD2 3.4Å; L400-Y408 HydrophobicContact CD1-CE2 3.62Å; L400-Y408 HydrophobicContact CD1-CG 3.87Å; L400-Y408 HydrophobicContact CG-CD2 4.47Å; G404-Y408 WeakPolarHBondContact O-CD2 3.38Å; G404-Y408 WeakPolarHBondContact O-CE2 3.41Å; D405-Y408 WeakPolarHBondContact O-CD2 3.49Å; D405-Y408 PolarHBondContact O-N 3.43Å; D405-Y408 VanDerWaalsContact O-N 3.12Å; Y408-L411 WeakPolarHBondContact O-CB 3.48Å; Y408-L411 PolarHBondContact O-N 2.94Å; Y408-L412 PolarHBondContact O-N 3.35Å; Y408-A432 HydrophobicContact CD1-CB 3.89Å; Y408-A432 HydrophobicContact CE1-CB 4Å; Y408-I436 HydrophobicContact CD1-CD1 3.77Å; Y408-I436 HydrophobicContact CE1-CD1 3.76Å; Y408-I436 HydrophobicContact CG-CD1 4.25Å
409	E	98.9	Very high	96.7	Very high	5 Å²	5	12.5 Å²	12.5	2%	0.023	7%	0.074	C	C	.	.	H	α-helix	trans	-55.1	-49.6	172.3	-164.4	-155.8	131.7	0	0	112	S406 F407 L411 L412 K413 F469 M473 T625	S406-E409 WeakPolarHBondContact CB-OE2 3.45Å; S406-E409 WeakPolarHBondContact O-CB 2.98Å; F407-E409 VanDerWaalsContact C-N 3.35Å; E409-L411 VanDerWaalsContact C-N 3.25Å; E409-L411 PolarHBondContact O-N 2.94Å; E409-L412 PolarHBondContact O-N 3.4Å; E409-L412 VanDerWaalsContact O-N 3.17Å; E409-K413 HydrophobicContact CG-CD 3.75Å; E409-K413 HydrophobicContact CG-CG 4.28Å; E409-K413 WeakPolarHBondContact O-CB 3.48Å; E409-K413 WeakPolarHBondContact O-CG 3.17Å; E409-K413 PolarHBondContact O-N 3.04Å; E409-K413 VanDerWaalsContact OE1-CD 3.31Å; E409-K413 WeakPolarHBondContact OE1-CD 3.22Å; E409-K413 VanDerWaalsContact OE1-CE 3.24Å; E409-K413 WeakPolarHBondContact OE1-CE 3.33Å; E409-K413 IonicContact OE1-NZ 2.79Å; E409-K413 PolarHBondContact OE1-NZ 3.37Å; E409-F469 HydrophobicContact CB-CD2 4.43Å; E409-F469 HydrophobicContact CB-CE2 3.64Å; E409-F469 HydrophobicContact CB-CZ 4.32Å; E409-F469 HydrophobicContact CG-CD2 4.19Å; E409-F469 HydrophobicContact CG-CE2 3.84Å; E409-M473 HydrophobicContact CB-SD 4.42Å; E409-T625 WeakPolarHBondContact OE1-CA 3.32Å; E409-T625 PolarHBondContact OE2-OG1 2.88Å
410	Y	98.8	Very high	96.6	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-77	-3.8	-178.2	-88	40.9	0	0	0	114.3	T344 H346 M347 E348 R369 S406 F407 A414 N624 T625	T344-Y410 HydrophobicContact CG2-CD1 3.69Å; T344-Y410 HydrophobicContact CG2-CD2 3.81Å; T344-Y410 HydrophobicContact CG2-CE1 3.48Å; T344-Y410 VanDerWaalsContact CG2-CE1 3.48Å; T344-Y410 HydrophobicContact CG2-CE2 3.59Å; T344-Y410 HydrophobicContact CG2-CG 3.84Å; T344-Y410 VanDerWaalsContact CG2-CZ 3.41Å; H346-Y410 HydrophobicContact CB-CD2 4.09Å; M347-Y410 HydrophobicContact CB-CD2 4.44Å; M347-Y410 HydrophobicContact CB-CE2 3.95Å; M347-Y410 HydrophobicContact CG-CD2 3.93Å; M347-Y410 HydrophobicContact CG-CE2 3.82Å; M347-Y410 HydrophobicContact CG-CG 4.38Å; M347-Y410 HydrophobicContact SD-CD1 4.09Å; M347-Y410 HydrophobicContact SD-CD2 4.34Å; M347-Y410 HydrophobicContact SD-CE1 3.78Å; M347-Y410 HydrophobicContact SD-CE2 4.07Å; M347-Y410 HydrophobicContact SD-CG 4.37Å; E348-Y410 PolarHBondContact OE1-OH 2.89Å; E348-Y410 WeakPolarHBondContact OE2-CE2 3.19Å; R369-Y410 PolarHBondContact NH2-O 3.19Å; S406-Y410 WeakPolarHBondContact O-CB 3.49Å; S406-Y410 PolarHBondContact O-N 3.2Å; F407-Y410 PolarHBondContact O-N 3.02Å; Y410-A414 WeakPolarHBondContact O-CB 3.31Å; Y410-N624 VanDerWaalsContact OH-CB 3.24Å; Y410-N624 WeakPolarHBondContact OH-CB 3.32Å; Y410-T625 HydrophobicContact CE1-CG2 4.25Å; Y410-T625 PolarHBondContact OH-N 2.95Å
411	L	98.6	Very high	96.6	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-76.8	-50.6	162.1	-64.3	171.7	0	0	0	110	F407 Y408 E409 W415 A425 T428	F407-L411 HydrophobicContact CE1-CD1 4.03Å; F407-L411 HydrophobicContact CE2-CD1 4.27Å; F407-L411 HydrophobicContact CE2-CD2 4.31Å; F407-L411 HydrophobicContact CE2-CG 4.37Å; F407-L411 HydrophobicContact CZ-CD1 3.82Å; F407-L411 HydrophobicContact CZ-CG 4.41Å; F407-L411 WeakPolarHBondContact O-CG 3.37Å; F407-L411 PolarHBondContact O-N 3.44Å; Y408-L411 WeakPolarHBondContact O-CB 3.48Å; Y408-L411 PolarHBondContact O-N 2.94Å; E409-L411 VanDerWaalsContact C-N 3.25Å; E409-L411 PolarHBondContact O-N 2.94Å; L411-W415 PolarHBondContact O-N 2.91Å; L411-A425 WeakPolarHBondContact O-CB 3.37Å; L411-T428 HydrophobicContact CD1-CG2 3.78Å; L411-T428 HydrophobicContact CD2-CG2 3.91Å; L411-T428 HydrophobicContact CG-CG2 4.49Å
412	L	98.6	Very high	96.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-52.4	176.6	174.4	65.3	0	0	0	112.3	Y408 E409 A414 W415 L416 Y429 M473 L476	Y408-L412 PolarHBondContact O-N 3.35Å; E409-L412 PolarHBondContact O-N 3.4Å; E409-L412 VanDerWaalsContact O-N 3.17Å; L412-A414 VanDerWaalsContact C-N 3.3Å; L412-A414 PolarHBondContact O-N 3.42Å; L412-W415 HydrophobicContact CD1-CE3 3.91Å; L412-W415 HydrophobicContact CD1-CZ3 4.18Å; L412-W415 WeakPolarHBondContact O-CB 3.27Å; L412-W415 PolarHBondContact O-N 3.2Å; L412-W415 VanDerWaalsContact O-N 3.12Å; L412-L416 HydrophobicContact CD1-CD1 4.27Å; L412-L416 HydrophobicContact CD1-CG 4.45Å; L412-L416 HydrophobicContact CG-CD1 4.13Å; L412-L416 PolarHBondContact O-N 3.3Å; L412-L416 VanDerWaalsContact O-N 3.08Å; L412-Y429 HydrophobicContact CB-CD2 3.68Å; L412-Y429 HydrophobicContact CB-CE2 3.73Å; L412-Y429 HydrophobicContact CB-CG 4.08Å; L412-Y429 HydrophobicContact CD1-CD1 4.47Å; L412-Y429 HydrophobicContact CD1-CE1 4.29Å; L412-Y429 HydrophobicContact CD2-CE2 4.14Å; L412-Y429 HydrophobicContact CG-CE2 4.42Å; L412-M473 HydrophobicContact CD2-CG 3.95Å; L412-M473 VanDerWaalsContact CD2-O 3.3Å; L412-M473 WeakPolarHBondContact CD2-O 3.49Å; L412-L476 HydrophobicContact CD2-CB 4.11Å; L412-L476 HydrophobicContact CD2-CD2 4.13Å; L412-L476 HydrophobicContact CD2-CG 4.01Å
413	K	98.6	Very high	96.8	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-31.5	-174.3	-71.5	-171.4	176.6	176.6	0	112.5	M347 E409 L416 M417 L476 E542 V622 F623	M347-K413 HydrophobicContact CE-CB 4.35Å; M347-K413 HydrophobicContact SD-CB 3.7Å; M347-K413 HydrophobicContact SD-CD 4.32Å; E409-K413 HydrophobicContact CG-CD 3.75Å; E409-K413 HydrophobicContact CG-CG 4.28Å; E409-K413 WeakPolarHBondContact O-CB 3.48Å; E409-K413 WeakPolarHBondContact O-CG 3.17Å; E409-K413 PolarHBondContact O-N 3.04Å; E409-K413 VanDerWaalsContact OE1-CD 3.31Å; E409-K413 WeakPolarHBondContact OE1-CD 3.22Å; E409-K413 VanDerWaalsContact OE1-CE 3.24Å; E409-K413 WeakPolarHBondContact OE1-CE 3.33Å; E409-K413 IonicContact OE1-NZ 2.79Å; E409-K413 PolarHBondContact OE1-NZ 3.37Å; K413-L416 PolarHBondContact O-N 2.88Å; K413-M417 WeakPolarHBondContact O-CB 3.26Å; K413-M417 PolarHBondContact O-N 3.43Å; K413-L476 HydrophobicContact CG-CD2 4.37Å; K413-E542 IonicContact NZ-OE1 3.73Å; K413-V622 HydrophobicContact CB-CG1 3.64Å; K413-V622 HydrophobicContact CD-CG1 4.11Å; K413-V622 HydrophobicContact CG-CG1 3.8Å; K413-F623 WeakPolarHBondContact CD-O 3.46Å; K413-F623 WeakPolarHBondContact CE-O 3.47Å; K413-F623 PolarHBondContact NZ-O 3.02Å
414	A	97.9	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68	-39.9	172.2	0	0	0	0	0	113	Y410 L412 M417 S418 A425	Y410-A414 WeakPolarHBondContact O-CB 3.31Å; L412-A414 VanDerWaalsContact C-N 3.3Å; L412-A414 PolarHBondContact O-N 3.42Å; A414-M417 PolarHBondContact O-N 3.05Å; A414-S418 VanDerWaalsContact O-CB 3.27Å; A414-S418 WeakPolarHBondContact O-CB 3.46Å; A414-S418 PolarHBondContact O-N 2.92Å; A414-S418 PolarHBondContact O-OG 3.31Å; A414-A425 HydrophobicContact CB-CB 4.49Å
415	W	97.4	Very high	96.6	Very high	17 Å²	17	26.6 Å²	26.6	6%	0.064	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-49.1	172.8	169.6	67.6	0	0	0	110.8	L411 L412 S418 K420 A425 R426	L411-W415 PolarHBondContact O-N 2.91Å; L412-W415 HydrophobicContact CD1-CE3 3.91Å; L412-W415 HydrophobicContact CD1-CZ3 4.18Å; L412-W415 WeakPolarHBondContact O-CB 3.27Å; L412-W415 PolarHBondContact O-N 3.2Å; L412-W415 VanDerWaalsContact O-N 3.12Å; W415-S418 PolarHBondContact O-N 2.82Å; W415-S418 PolarHBondContact O-OG 3.17Å; W415-K420 HydrophobicContact CD2-CB 4.45Å; W415-K420 HydrophobicContact CD2-CG 4.19Å; W415-K420 HydrophobicContact CH2-CD 3.82Å; W415-K420 HydrophobicContact CH2-CG 4.02Å; W415-K420 HydrophobicContact CZ2-CB 3.85Å; W415-K420 HydrophobicContact CZ2-CD 3.64Å; W415-K420 HydrophobicContact CZ2-CG 3.6Å; W415-K420 HydrophobicContact CZ3-CG 4.46Å; W415-K420 PolarHBondContact NE1-O 2.86Å; W415-K420 WeakPolarHBondContact O-CA 3.45Å; W415-K420 PolarHBondContact O-N 2.97Å; W415-A425 HydrophobicContact CB-CB 4.38Å; W415-R426 HydrophobicContact CB-CB 4.23Å; W415-R426 HydrophobicContact CD2-CB 4.01Å; W415-R426 HydrophobicContact CD2-CG 4.16Å; W415-R426 HydrophobicContact CG-CB 3.72Å; W415-R426 HydrophobicContact CG-CG 4.4Å; W415-R426 HydrophobicContact CZ2-CG 4.45Å
416	L	96.8	Very high	96.6	Very high	25 Å²	25	26.6 Å²	26.6	13%	0.131	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-50.3	176.4	-65	171.7	0	0	0	112.3	L412 K413 S418 D419 L476 V622	L412-L416 HydrophobicContact CD1-CD1 4.27Å; L412-L416 HydrophobicContact CD1-CG 4.45Å; L412-L416 HydrophobicContact CG-CD1 4.13Å; L412-L416 PolarHBondContact O-N 3.3Å; L412-L416 VanDerWaalsContact O-N 3.08Å; K413-L416 PolarHBondContact O-N 2.88Å; L416-S418 PolarHBondContact O-N 3.4Å; L416-D419 PolarHBondContact O-N 3.42Å; L416-D419 VanDerWaalsContact O-N 3.09Å; L416-L476 HydrophobicContact CD1-CD1 3.75Å; L416-L476 HydrophobicContact CD1-CD2 3.88Å; L416-L476 HydrophobicContact CD1-CG 3.65Å; L416-V622 HydrophobicContact CB-CG2 3.85Å
417	M	96.1	Very high	96.5	Very high	3 Å²	3	33 Å²	33	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-28.5	180	-179	-162.3	72.1	0	0	112.5	M347 V350 H351 K413 A414 D419 V622 L633	M347-M417 HydrophobicContact CB-SD 3.67Å; M347-M417 HydrophobicContact CE-CB 4.45Å; M347-M417 HydrophobicContact CE-CG 4.49Å; M347-M417 HydrophobicContact CE-SD 4.03Å; M347-M417 HydrophobicContact CG-CE 4.4Å; M347-M417 HydrophobicContact CG-SD 3.72Å; V350-M417 HydrophobicContact CB-CE 3.73Å; V350-M417 HydrophobicContact CG1-CE 3.65Å; V350-M417 HydrophobicContact CG2-CE 3.96Å; H351-M417 PolarHBondContact NE2-SD 3.2Å; H351-M417 VanDerWaalsContact NE2-SD 3.43Å; K413-M417 WeakPolarHBondContact O-CB 3.26Å; K413-M417 PolarHBondContact O-N 3.43Å; A414-M417 PolarHBondContact O-N 3.05Å; M417-D419 PolarHBondContact O-N 3.44Å; M417-V622 HydrophobicContact CB-CB 4.36Å; M417-V622 HydrophobicContact CB-CG2 4.12Å; M417-L633 PolarHBondContact O-N 2.81Å
418	S	94.1	Very high	96.4	Very high	12 Å²	12	33.9 Å²	33.9	8%	0.084	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	14.2	176.2	75.2	0	0	0	0	114.9	A414 W415 L416 K420 T421 D422	A414-S418 VanDerWaalsContact O-CB 3.27Å; A414-S418 WeakPolarHBondContact O-CB 3.46Å; A414-S418 PolarHBondContact O-N 2.92Å; A414-S418 PolarHBondContact O-OG 3.31Å; W415-S418 PolarHBondContact O-N 2.82Å; W415-S418 PolarHBondContact O-OG 3.17Å; L416-S418 PolarHBondContact O-N 3.4Å; S418-K420 VanDerWaalsContact C-N 3.26Å; S418-K420 PolarHBondContact O-N 2.84Å; S418-T421 WeakPolarHBondContact O-CB 3.37Å; S418-T421 WeakPolarHBondContact O-CG2 3.36Å; S418-T421 PolarHBondContact O-N 3.22Å; S418-T421 PolarHBondContact O-OG1 3.46Å; S418-T421 PolarHBondContact OG-N 3.13Å; S418-D422 VanDerWaalsContact OG-CB 3.28Å; S418-D422 WeakPolarHBondContact OG-CB 3.45Å; S418-D422 PolarHBondContact OG-N 3.1Å
419	D	93.6	Very high	96.3	Very high	74 Å²	74	33.9 Å²	33.9	40%	0.396	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	42.6	-170.3	-162.7	19.6	0	0	0	111.6	L416 M417 T421 V632 H634	L416-D419 PolarHBondContact O-N 3.42Å; L416-D419 VanDerWaalsContact O-N 3.09Å; M417-D419 PolarHBondContact O-N 3.44Å; D419-T421 PolarHBondContact O-N 2.86Å; D419-T421 VanDerWaalsContact O-N 3.08Å; D419-V632 HydrophobicContact CB-CG1 3.93Å; D419-H634 IonicContact OD1-CE1 2.76Å; D419-H634 IonicContact OD1-ND1 3.84Å; D419-H634 PolarHBondContact OD1-ND1 2.87Å; D419-H634 IonicContact OD2-CE1 2.81Å; D419-H634 IonicContact OD2-CG 3.8Å; D419-H634 IonicContact OD2-ND1 2.8Å; D419-H634 PolarHBondContact OD2-ND1 2.87Å
420	K	93.9	Very high	96.2	Very high	91 Å²	91	34.5 Å²	34.5	40%	0.396	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	14.6	-176.5	-62.1	-179.8	176.3	174.1	0	115.6	W415 S418 D479	W415-K420 HydrophobicContact CD2-CB 4.45Å; W415-K420 HydrophobicContact CD2-CG 4.19Å; W415-K420 HydrophobicContact CH2-CD 3.82Å; W415-K420 HydrophobicContact CH2-CG 4.02Å; W415-K420 HydrophobicContact CZ2-CB 3.85Å; W415-K420 HydrophobicContact CZ2-CD 3.64Å; W415-K420 HydrophobicContact CZ2-CG 3.6Å; W415-K420 HydrophobicContact CZ3-CG 4.46Å; W415-K420 PolarHBondContact NE1-O 2.86Å; W415-K420 WeakPolarHBondContact O-CA 3.45Å; W415-K420 PolarHBondContact O-N 2.97Å; S418-K420 VanDerWaalsContact C-N 3.26Å; S418-K420 PolarHBondContact O-N 2.84Å; K420-D479 IonicContact NZ-OD2 3.91Å; K420-D479 PolarHBondContact NZ-OD2 3.47Å
421	T	93.5	Very high	96.1	Very high	91 Å²	91	37.2 Å²	37.2	56%	0.558	19%	0.192	S	C	*	.			trans	-82.5	-24.7	-177.9	64.6	0	0	0	0	115	S418 D419 T423	S418-T421 WeakPolarHBondContact O-CB 3.37Å; S418-T421 WeakPolarHBondContact O-CG2 3.36Å; S418-T421 PolarHBondContact O-N 3.22Å; S418-T421 PolarHBondContact O-OG1 3.46Å; S418-T421 PolarHBondContact OG-N 3.13Å; D419-T421 PolarHBondContact O-N 2.86Å; D419-T421 VanDerWaalsContact O-N 3.08Å; T421-T423 VanDerWaalsContact C-N 3.29Å; T421-T423 PolarHBondContact O-N 3.37Å
422	D	94.6	Very high	96.1	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.139	19%	0.192	C	C	.	.			trans	-78.7	74.3	177.7	-172.1	-8.3	0	0	0	111.5	R369 S418 E424 A425 R426	R369-D422 IonicContact CZ-OD2 3.2Å; R369-D422 IonicContact NH1-OD1 2.67Å; R369-D422 IonicContact NH1-OD2 2.68Å; R369-D422 PolarHBondContact NH1-OD2 2.9Å; S418-D422 VanDerWaalsContact OG-CB 3.28Å; S418-D422 WeakPolarHBondContact OG-CB 3.45Å; S418-D422 PolarHBondContact OG-N 3.1Å; D422-E424 PolarHBondContact O-N 2.84Å; D422-E424 PolarHBondContact OD1-N 3.43Å; D422-A425 HydrophobicContact CB-CB 4.22Å; D422-A425 VanDerWaalsContact CG-CB 3.42Å; D422-A425 PolarHBondContact O-N 3.04Å; D422-A425 WeakPolarHBondContact OD1-CB 3.38Å; D422-A425 PolarHBondContact OD1-N 3.18Å; D422-A425 WeakPolarHBondContact OD2-CB 3.48Å; D422-R426 PolarHBondContact O-N 3.34Å
423	T	94.3	Very high	96	Very high	100 Å²	100	37 Å²	37	61%	0.613	19%	0.191	S	C	*	.	H	α-helix	trans	-69.7	-19	180	56.7	0	0	0	0	113.3	T421 K427	T421-T423 VanDerWaalsContact C-N 3.29Å; T421-T423 PolarHBondContact O-N 3.37Å; T423-K427 WeakPolarHBondContact O-CB 3.43Å; T423-K427 PolarHBondContact O-N 3Å
424	E	94.4	Very high	95.9	Very high	76 Å²	76	40.3 Å²	40.3	36%	0.355	21%	0.206	S	C	.	.	H	α-helix	trans	-67	-44.3	171.2	-170.8	-177.9	149.6	0	0	109.8	D422 T428	D422-E424 PolarHBondContact O-N 2.84Å; D422-E424 PolarHBondContact OD1-N 3.43Å; E424-T428 VanDerWaalsContact O-CB 3.31Å; E424-T428 WeakPolarHBondContact O-CB 3.13Å; E424-T428 PolarHBondContact O-N 2.8Å; E424-T428 PolarHBondContact O-OG1 2.76Å
425	A	96.2	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-46.4	174.8	0	0	0	0	0	112.6	L411 A414 W415 D422 K427 T428 Y429	L411-A425 WeakPolarHBondContact O-CB 3.37Å; A414-A425 HydrophobicContact CB-CB 4.49Å; W415-A425 HydrophobicContact CB-CB 4.38Å; D422-A425 HydrophobicContact CB-CB 4.22Å; D422-A425 VanDerWaalsContact CG-CB 3.42Å; D422-A425 PolarHBondContact O-N 3.04Å; D422-A425 WeakPolarHBondContact OD1-CB 3.38Å; D422-A425 PolarHBondContact OD1-N 3.18Å; D422-A425 WeakPolarHBondContact OD2-CB 3.48Å; A425-K427 PolarHBondContact O-N 3.21Å; A425-T428 PolarHBondContact O-N 2.74Å; A425-Y429 PolarHBondContact O-N 3.48Å
426	R	96.3	Very high	95.9	Very high	15 Å²	15	39.8 Å²	39.8	6%	0.057	21%	0.206	C	C	.	.	H	α-helix	trans	-55.9	-53.1	175.6	-178.2	68.8	-144.7	-156.6	12.9	111.7	W415 D422 T428 Y429 D430 G477 D479	W415-R426 HydrophobicContact CB-CB 4.23Å; W415-R426 HydrophobicContact CD2-CB 4.01Å; W415-R426 HydrophobicContact CD2-CG 4.16Å; W415-R426 HydrophobicContact CG-CB 3.72Å; W415-R426 HydrophobicContact CG-CG 4.4Å; W415-R426 HydrophobicContact CZ2-CG 4.45Å; D422-R426 PolarHBondContact O-N 3.34Å; R426-T428 VanDerWaalsContact C-N 3.3Å; R426-T428 PolarHBondContact O-N 3.23Å; R426-Y429 WeakPolarHBondContact O-CB 3.31Å; R426-Y429 PolarHBondContact O-N 2.79Å; R426-Y429 VanDerWaalsContact O-N 3.15Å; R426-D430 WeakPolarHBondContact CG-OD2 3.15Å; R426-D430 IonicContact CZ-OD1 3.79Å; R426-D430 IonicContact CZ-OD2 3.48Å; R426-D430 IonicContact NE-OD1 2.82Å; R426-D430 PolarHBondContact NE-OD1 3.24Å; R426-D430 IonicContact NE-OD2 2.67Å; R426-D430 PolarHBondContact NE-OD2 3.28Å; R426-D430 IonicContact NH2-OD1 3.72Å; R426-D430 PolarHBondContact NH2-OD1 2.84Å; R426-D430 IonicContact NH2-OD2 3.42Å; R426-D430 PolarHBondContact O-N 3.39Å; R426-G477 PolarHBondContact NH1-O 2.95Å; R426-G477 VanDerWaalsContact NH1-O 3.12Å; R426-G477 PolarHBondContact NH2-O 3.16Å; R426-D479 PolarHBondContact NH1-O 3.04Å
427	K	95.9	Very high	95.9	Very high	137 Å²	137	40.7 Å²	40.7	60%	0.596	21%	0.209	S	C	*	.	H	α-helix	trans	-60.2	-41.3	179.2	-178.2	178.8	177	-177.6	0	111.9	T423 A425 Y429 D430 D431	T423-K427 WeakPolarHBondContact O-CB 3.43Å; T423-K427 PolarHBondContact O-N 3Å; A425-K427 PolarHBondContact O-N 3.21Å; K427-Y429 VanDerWaalsContact C-N 3.29Å; K427-Y429 PolarHBondContact O-N 3.4Å; K427-D430 PolarHBondContact O-N 2.83Å; K427-D431 VanDerWaalsContact O-CB 3.29Å; K427-D431 WeakPolarHBondContact O-CB 3.4Å; K427-D431 PolarHBondContact O-N 2.81Å
428	T	96.4	Very high	96	Very high	27 Å²	27	47.8 Å²	47.8	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-33.6	179.9	-53.2	0	0	0	0	111.6	Y382 L411 E424 A425 R426 A432	Y382-T428 VanDerWaalsContact OH-CG2 3.25Å; Y382-T428 WeakPolarHBondContact OH-CG2 3.18Å; L411-T428 HydrophobicContact CD1-CG2 3.78Å; L411-T428 HydrophobicContact CD2-CG2 3.91Å; L411-T428 HydrophobicContact CG-CG2 4.49Å; E424-T428 VanDerWaalsContact O-CB 3.31Å; E424-T428 WeakPolarHBondContact O-CB 3.13Å; E424-T428 PolarHBondContact O-N 2.8Å; E424-T428 PolarHBondContact O-OG1 2.76Å; A425-T428 PolarHBondContact O-N 2.74Å; R426-T428 VanDerWaalsContact C-N 3.3Å; R426-T428 PolarHBondContact O-N 3.23Å; T428-A432 VanDerWaalsContact O-CB 3.31Å; T428-A432 WeakPolarHBondContact O-CB 3.47Å; T428-A432 PolarHBondContact O-N 2.88Å
429	Y	98	Very high	96.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-55.5	169.4	170.4	-97.2	0	0	0	111.1	L412 A425 R426 K427 D431 A432 I433 M473	L412-Y429 HydrophobicContact CB-CD2 3.68Å; L412-Y429 HydrophobicContact CB-CE2 3.73Å; L412-Y429 HydrophobicContact CB-CG 4.08Å; L412-Y429 HydrophobicContact CD1-CD1 4.47Å; L412-Y429 HydrophobicContact CD1-CE1 4.29Å; L412-Y429 HydrophobicContact CD2-CE2 4.14Å; L412-Y429 HydrophobicContact CG-CE2 4.42Å; A425-Y429 PolarHBondContact O-N 3.48Å; R426-Y429 WeakPolarHBondContact O-CB 3.31Å; R426-Y429 PolarHBondContact O-N 2.79Å; R426-Y429 VanDerWaalsContact O-N 3.15Å; K427-Y429 VanDerWaalsContact C-N 3.29Å; K427-Y429 PolarHBondContact O-N 3.4Å; Y429-D431 PolarHBondContact O-N 3.48Å; Y429-A432 WeakPolarHBondContact O-CA 3.04Å; Y429-A432 WeakPolarHBondContact O-CB 3.28Å; Y429-A432 PolarHBondContact O-N 2.91Å; Y429-I433 HydrophobicContact CD1-CG1 4.18Å; Y429-I433 HydrophobicContact CD2-CD1 4.09Å; Y429-I433 HydrophobicContact CD2-CG1 3.9Å; Y429-I433 HydrophobicContact CE1-CG1 3.87Å; Y429-I433 HydrophobicContact CE2-CD1 3.77Å; Y429-I433 HydrophobicContact CE2-CG1 3.59Å; Y429-I433 HydrophobicContact CG-CG1 4.2Å; Y429-I433 WeakPolarHBondContact O-CG1 3.38Å; Y429-I433 PolarHBondContact O-N 3.42Å; Y429-M473 HydrophobicContact CE2-CE 4.21Å; Y429-M473 HydrophobicContact CE2-CG 3.97Å; Y429-M473 HydrophobicContact CE2-SD 3.84Å; Y429-M473 PolarHBondContact OH-O 2.95Å
430	D	97.4	Very high	96.3	Very high	18 Å²	18	45.2 Å²	45.2	10%	0.096	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-46.8	-176.8	-65.4	-46.5	0	0	0	112.1	R426 K427 A432 I433 E434 P482	R426-D430 WeakPolarHBondContact CG-OD2 3.15Å; R426-D430 IonicContact CZ-OD1 3.79Å; R426-D430 IonicContact CZ-OD2 3.48Å; R426-D430 IonicContact NE-OD1 2.82Å; R426-D430 PolarHBondContact NE-OD1 3.24Å; R426-D430 IonicContact NE-OD2 2.67Å; R426-D430 PolarHBondContact NE-OD2 3.28Å; R426-D430 IonicContact NH2-OD1 3.72Å; R426-D430 PolarHBondContact NH2-OD1 2.84Å; R426-D430 IonicContact NH2-OD2 3.42Å; R426-D430 PolarHBondContact O-N 3.39Å; K427-D430 PolarHBondContact O-N 2.83Å; D430-A432 PolarHBondContact O-N 3.41Å; D430-I433 PolarHBondContact O-N 2.67Å; D430-E434 PolarHBondContact O-N 3.43Å; D430-P482 HydrophobicContact CB-CG 4.38Å
431	D	96.4	Very high	96.5	Very high	61 Å²	61	41.7 Å²	41.7	33%	0.326	21%	0.206	S	C	.	.	H	α-helix	trans	-51.3	-41.9	171.9	-92.3	26.6	0	0	0	112.1	R377 K427 Y429	R377-D431 IonicContact CZ-OD2 3.23Å; R377-D431 IonicContact NH1-OD2 3.1Å; R377-D431 PolarHBondContact NH1-OD2 2.85Å; R377-D431 IonicContact NH2-OD2 2.94Å; R377-D431 PolarHBondContact NH2-OD2 2.98Å; K427-D431 VanDerWaalsContact O-CB 3.29Å; K427-D431 WeakPolarHBondContact O-CB 3.4Å; K427-D431 PolarHBondContact O-N 2.81Å; Y429-D431 PolarHBondContact O-N 3.48Å
432	A	97.5	Very high	96.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-75	-44.5	-178.4	0	0	0	0	0	111.5	Y382 Y408 T428 Y429 D430 E434 A435 I436	Y382-A432 HydrophobicContact CD2-CB 4.43Å; Y382-A432 HydrophobicContact CE2-CB 4.01Å; Y408-A432 HydrophobicContact CD1-CB 3.89Å; Y408-A432 HydrophobicContact CE1-CB 4Å; T428-A432 VanDerWaalsContact O-CB 3.31Å; T428-A432 WeakPolarHBondContact O-CB 3.47Å; T428-A432 PolarHBondContact O-N 2.88Å; Y429-A432 WeakPolarHBondContact O-CA 3.04Å; Y429-A432 WeakPolarHBondContact O-CB 3.28Å; Y429-A432 PolarHBondContact O-N 2.91Å; D430-A432 PolarHBondContact O-N 3.41Å; A432-E434 PolarHBondContact O-N 3Å; A432-A435 WeakPolarHBondContact O-CB 3.46Å; A432-A435 PolarHBondContact O-N 3.37Å; A432-A435 VanDerWaalsContact O-N 3.13Å; A432-I436 HydrophobicContact CB-CD1 4.46Å; A432-I436 WeakPolarHBondContact O-CD1 3.35Å; A432-I436 VanDerWaalsContact O-CG1 3.29Å; A432-I436 WeakPolarHBondContact O-CG1 3.35Å; A432-I436 PolarHBondContact O-N 2.81Å
433	I	97.3	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-41.6	-179.7	-60.7	-36.7	0	0	0	110.6	Y429 D430 A435 I436 E437 M473 F474 Y489	Y429-I433 HydrophobicContact CD1-CG1 4.18Å; Y429-I433 HydrophobicContact CD2-CD1 4.09Å; Y429-I433 HydrophobicContact CD2-CG1 3.9Å; Y429-I433 HydrophobicContact CE1-CG1 3.87Å; Y429-I433 HydrophobicContact CE2-CD1 3.77Å; Y429-I433 HydrophobicContact CE2-CG1 3.59Å; Y429-I433 HydrophobicContact CG-CG1 4.2Å; Y429-I433 WeakPolarHBondContact O-CG1 3.38Å; Y429-I433 PolarHBondContact O-N 3.42Å; D430-I433 PolarHBondContact O-N 2.67Å; I433-A435 VanDerWaalsContact C-N 3.26Å; I433-A435 PolarHBondContact O-N 3.31Å; I433-I436 HydrophobicContact CD1-CD1 3.72Å; I433-I436 WeakPolarHBondContact O-CB 3.3Å; I433-I436 PolarHBondContact O-N 2.82Å; I433-I436 VanDerWaalsContact O-N 3.08Å; I433-E437 HydrophobicContact CG2-CG 4.27Å; I433-E437 WeakPolarHBondContact O-CG 3.49Å; I433-E437 PolarHBondContact O-N 2.81Å; I433-M473 HydrophobicContact CD1-CE 3.92Å; I433-F474 HydrophobicContact CD1-CE1 4.01Å; I433-F474 HydrophobicContact CG1-CE1 4.3Å; I433-F474 HydrophobicContact CG2-CD1 4.23Å; I433-F474 HydrophobicContact CG2-CE1 3.74Å; I433-Y489 HydrophobicContact CG2-CD1 4.43Å; I433-Y489 HydrophobicContact CG2-CE1 3.59Å
434	E	96.6	Very high	96.8	Very high	72 Å²	72	41.1 Å²	41.1	34%	0.336	18%	0.184	S	C	.	.	H	α-helix	trans	-59.8	-35.1	174.6	-72.8	-156.7	171.6	0	0	113.2	D430 A432 R438 K485	D430-E434 PolarHBondContact O-N 3.43Å; A432-E434 PolarHBondContact O-N 3Å; E434-R438 VanDerWaalsContact O-CB 3.23Å; E434-R438 WeakPolarHBondContact O-CB 3.34Å; E434-R438 PolarHBondContact O-N 3.48Å; E434-R438 IonicContact OE2-NH2 3.02Å; E434-K485 IonicContact OE1-NZ 2.8Å; E434-K485 PolarHBondContact OE1-NZ 3.07Å
435	A	97.1	Very high	96.7	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-71.9	-38.7	174.3	0	0	0	0	0	111.8	L381 A432 I433 R438 H439	L381-A435 HydrophobicContact CD2-CB 3.89Å; A432-A435 WeakPolarHBondContact O-CB 3.46Å; A432-A435 PolarHBondContact O-N 3.37Å; A432-A435 VanDerWaalsContact O-N 3.13Å; I433-A435 VanDerWaalsContact C-N 3.26Å; I433-A435 PolarHBondContact O-N 3.31Å; A435-R438 PolarHBondContact O-N 3.19Å; A435-H439 WeakPolarHBondContact O-CB 3.45Å; A435-H439 PolarHBondContact O-CD2 2.65Å; A435-H439 VanDerWaalsContact O-CD2 3.31Å; A435-H439 PolarHBondContact O-N 3.12Å
436	I	97.8	Very high	96.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-47.5	176.5	-71.4	155.3	0	0	0	111	L381 L400 Y408 A432 I433 R438 H439 L440 I441 I451	L381-I436 HydrophobicContact CD2-CG1 4.4Å; L400-I436 HydrophobicContact CD1-CD1 3.35Å; L400-I436 HydrophobicContact CD1-CG1 3.99Å; L400-I436 HydrophobicContact CD1-CG2 4.25Å; L400-I436 HydrophobicContact CD2-CG2 4.03Å; Y408-I436 HydrophobicContact CD1-CD1 3.77Å; Y408-I436 HydrophobicContact CE1-CD1 3.76Å; Y408-I436 HydrophobicContact CG-CD1 4.25Å; A432-I436 HydrophobicContact CB-CD1 4.46Å; A432-I436 WeakPolarHBondContact O-CD1 3.35Å; A432-I436 VanDerWaalsContact O-CG1 3.29Å; A432-I436 WeakPolarHBondContact O-CG1 3.35Å; A432-I436 PolarHBondContact O-N 2.81Å; I433-I436 HydrophobicContact CD1-CD1 3.72Å; I433-I436 WeakPolarHBondContact O-CB 3.3Å; I433-I436 PolarHBondContact O-N 2.82Å; I433-I436 VanDerWaalsContact O-N 3.08Å; I436-R438 VanDerWaalsContact C-N 3.34Å; I436-R438 PolarHBondContact O-N 3.07Å; I436-H439 PolarHBondContact O-N 3.46Å; I436-L440 HydrophobicContact CG2-CB 4.37Å; I436-L440 WeakPolarHBondContact O-CA 3.41Å; I436-L440 WeakPolarHBondContact O-CB 3.42Å; I436-L440 PolarHBondContact O-N 2.75Å; I436-I441 HydrophobicContact CG2-CD1 4.29Å; I436-I441 HydrophobicContact CG2-CG1 4.15Å; I436-I441 PolarHBondContact O-N 2.76Å; I436-I441 VanDerWaalsContact O-N 3.15Å; I436-I451 HydrophobicContact CG2-CG2 4.49Å
437	E	97.3	Very high	96.5	Very high	44 Å²	44	47.8 Å²	47.8	21%	0.206	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-48.9	174.1	-70.6	-153.9	-108.1	0	0	111.2	I433 H439 I441 R442 H488 Y489 L492	I433-E437 HydrophobicContact CG2-CG 4.27Å; I433-E437 WeakPolarHBondContact O-CG 3.49Å; I433-E437 PolarHBondContact O-N 2.81Å; E437-H439 PolarHBondContact O-N 3.44Å; E437-I441 HydrophobicContact CG-CD1 4.14Å; E437-R442 PolarHBondContact O-NH1 2.87Å; E437-H488 IonicContact OE1-CD2 2.75Å; E437-H488 IonicContact OE1-CE1 3.68Å; E437-H488 IonicContact OE1-NE2 2.65Å; E437-H488 PolarHBondContact OE1-NE2 2.88Å; E437-H488 IonicContact OE2-CE1 2.71Å; E437-H488 PolarHBondContact OE2-CE1 3.49Å; E437-H488 IonicContact OE2-NE2 2.9Å; E437-H488 PolarHBondContact OE2-NE2 3.42Å; E437-Y489 VanDerWaalsContact OE1-CE1 3.31Å; E437-Y489 WeakPolarHBondContact OE1-CE1 3.35Å; E437-L492 HydrophobicContact CG-CD2 4.24Å
438	R	96.8	Very high	96.6	Very high	152 Å²	152	41.8 Å²	41.8	57%	0.574	22%	0.221	S	C	*	.	H	α-helix	trans	-62.7	-39.5	-178.1	-170.9	179.1	-56.2	161	9.1	112.9	E434 A435 I436 R442	E434-R438 VanDerWaalsContact O-CB 3.23Å; E434-R438 WeakPolarHBondContact O-CB 3.34Å; E434-R438 PolarHBondContact O-N 3.48Å; E434-R438 IonicContact OE2-NH2 3.02Å; A435-R438 PolarHBondContact O-N 3.19Å; I436-R438 VanDerWaalsContact C-N 3.34Å; I436-R438 PolarHBondContact O-N 3.07Å; R438-R442 PolarHBondContact O-NH1 3.25Å; R438-R442 PolarHBondContact O-NH2 2.91Å
439	H	96.7	Very high	96.7	Very high	33 Å²	33	40.7 Å²	40.7	15%	0.153	22%	0.215	C	C	.	.	H	α-helix	trans	-107.9	-35.4	-170	-69.9	-80.1	0	0	0	115.4	L381 A435 I436 E437 W454	L381-H439 HydrophobicContact CD1-CB 3.95Å; L381-H439 HydrophobicContact CD2-CB 4.36Å; A435-H439 WeakPolarHBondContact O-CB 3.45Å; A435-H439 PolarHBondContact O-CD2 2.65Å; A435-H439 VanDerWaalsContact O-CD2 3.31Å; A435-H439 PolarHBondContact O-N 3.12Å; I436-H439 PolarHBondContact O-N 3.46Å; E437-H439 PolarHBondContact O-N 3.44Å; H439-W454 HydrophobicContact CB-CD2 4.43Å; H439-W454 HydrophobicContact CB-CE3 3.97Å; H439-W454 HydrophobicContact CB-CZ3 4.03Å; H439-W454 AromaticContact ND1-CH2 3.57Å; H439-W454 AromaticContact ND1-CZ2 3.96Å; H439-W454 AromaticContact ND1-CZ3 3.86Å
440	L	97.9	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-37	-171.3	-77.6	65.5	0	0	0	113.5	L381 T398 I436 I451 G452 W454	L381-L440 HydrophobicContact CD1-CD1 3.77Å; L381-L440 HydrophobicContact CD2-CD1 3.7Å; L381-L440 HydrophobicContact CG-CD1 4.42Å; T398-L440 HydrophobicContact CG2-CD2 4.33Å; I436-L440 HydrophobicContact CG2-CB 4.37Å; I436-L440 WeakPolarHBondContact O-CA 3.41Å; I436-L440 WeakPolarHBondContact O-CB 3.42Å; I436-L440 PolarHBondContact O-N 2.75Å; L440-I451 HydrophobicContact CB-CG2 3.94Å; L440-I451 HydrophobicContact CD2-CG2 4.38Å; L440-G452 WeakPolarHBondContact CB-O 3.47Å; L440-G452 WeakPolarHBondContact CD2-O 3.36Å; L440-G452 VanDerWaalsContact CG-O 3.28Å; L440-G452 WeakPolarHBondContact CG-O 3.43Å; L440-G452 PolarHBondContact O-N 2.8Å; L440-W454 HydrophobicContact CD1-CB 3.72Å; L440-W454 HydrophobicContact CD1-CG 4.38Å; L440-W454 HydrophobicContact CG-CB 4.15Å
441	I	98.2	Very high	96.8	Very high	17 Å²	17	40 Å²	40	9%	0.087	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.3	-174.4	-54.7	-166.2	0	0	0	111.3	I436 E437 T449 F450 I451 F474 L492	I436-I441 HydrophobicContact CG2-CD1 4.29Å; I436-I441 HydrophobicContact CG2-CG1 4.15Å; I436-I441 PolarHBondContact O-N 2.76Å; I436-I441 VanDerWaalsContact O-N 3.15Å; E437-I441 HydrophobicContact CG-CD1 4.14Å; I441-T449 HydrophobicContact CG2-CG2 3.5Å; I441-F450 WeakPolarHBondContact CA-O 3.26Å; I441-I451 HydrophobicContact CD1-CD1 4.5Å; I441-I451 HydrophobicContact CD1-CG1 4.36Å; I441-I451 HydrophobicContact CG1-CG1 4.19Å; I441-I451 HydrophobicContact CG1-CG2 4.25Å; I441-F474 HydrophobicContact CD1-CE2 4.14Å; I441-F474 HydrophobicContact CD1-CZ 4.03Å; I441-L492 HydrophobicContact CD1-CD1 4.05Å; I441-L492 HydrophobicContact CD1-CD2 3.95Å; I441-L492 HydrophobicContact CD1-CG 4.49Å; I441-L492 HydrophobicContact CG2-CD1 4.28Å
442	R	97.3	Very high	96.8	Very high	91 Å²	91	37.2 Å²	37.2	34%	0.343	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	163.2	178	-61.7	-65	177.2	-105.5	6	110.6	E437 R438 T449 F450 L459	E437-R442 PolarHBondContact O-NH1 2.87Å; R438-R442 PolarHBondContact O-NH1 3.25Å; R438-R442 PolarHBondContact O-NH2 2.91Å; R442-T449 WeakPolarHBondContact O-CA 3.35Å; R442-F450 HydrophobicContact CB-CE1 3.86Å; R442-F450 HydrophobicContact CB-CE2 4.41Å; R442-F450 HydrophobicContact CB-CZ 3.74Å; R442-F450 PolarHBondContact N-O 2.79Å; R442-F450 WeakPolarHBondContact O-CD1 3.5Å; R442-F450 PolarHBondContact O-N 2.81Å; R442-L459 HydrophobicContact CG-CD2 3.42Å; R442-L459 VanDerWaalsContact CG-CD2 3.42Å
443	K	96.6	Very high	96.7	Very high	104 Å²	104	38.2 Å²	38.2	45%	0.452	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	151.6	168.2	-56.7	-153.4	176.3	-142.4	0	112.2	L448 T449 R461 E495	K443-L448 CarbonylContact C-O 3.57Å; K443-L448 VanDerWaalsContact CA-O 3.29Å; K443-L448 WeakPolarHBondContact CA-O 3.31Å; K443-T449 WeakPolarHBondContact CE-OG1 3.41Å; K443-T449 PolarHBondContact NZ-OG1 3.03Å; K443-T449 VanDerWaalsContact NZ-OG1 3.12Å; K443-R461 PolarHBondContact O-NH2 3.04Å; K443-E495 WeakPolarHBondContact CE-OE2 3.28Å; K443-E495 IonicContact NZ-OE1 3.45Å; K443-E495 PolarHBondContact NZ-OE1 2.84Å; K443-E495 IonicContact NZ-OE2 3.72Å; K443-E495 PolarHBondContact NZ-OE2 3.16Å
444	S	95.6	Very high	96.7	Very high	10 Å²	10	39.9 Å²	39.9	7%	0.07	21%	0.208	C	C	.	.			trans	-78.3	176.7	170.6	82.9	0	0	0	0	111.1	G446 G447 L448 E523	S444-G446 VanDerWaalsContact C-N 3.33Å; S444-G446 PolarHBondContact OG-N 2.74Å; S444-G447 PolarHBondContact O-N 3.35Å; S444-G447 PolarHBondContact OG-N 3Å; S444-G447 VanDerWaalsContact OG-N 3.08Å; S444-L448 PolarHBondContact N-O 3.21Å; S444-L448 WeakPolarHBondContact OG-CB 3.39Å; S444-L448 PolarHBondContact OG-N 3.1Å; S444-E523 VanDerWaalsContact CB-OE1 3.28Å; S444-E523 WeakPolarHBondContact CB-OE1 3.14Å; S444-E523 VanDerWaalsContact CB-OE2 3.24Å; S444-E523 WeakPolarHBondContact CB-OE2 3.3Å; S444-E523 PolarHBondContact OG-OE1 2.92Å; S444-E523 PolarHBondContact OG-OE2 3.41Å
445	N	91.6	Very high	96.5	Very high	131 Å²	131	39.3 Å²	39.3	70%	0.701	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-31	175.2	-63.4	-10.2	0	0	0	110.8	G447 E523	N445-G447 VanDerWaalsContact C-N 3.26Å; N445-E523 WeakPolarHBondContact CA-OE1 3.27Å; N445-E523 WeakPolarHBondContact CB-OE1 3.28Å; N445-E523 PolarHBondContact N-OE1 2.61Å
446	G	92.8	Very high	95.8	Very high	60 Å²	60	44.7 Å²	44.7	62%	0.619	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	2.8	167.8	0	0	0	0	0	115.1	S444 E523	S444-G446 VanDerWaalsContact C-N 3.33Å; S444-G446 PolarHBondContact OG-N 2.74Å; G446-E523 WeakPolarHBondContact CA-OE2 3.49Å; G446-E523 PolarHBondContact N-OE1 2.85Å; G446-E523 PolarHBondContact N-OE2 3.48Å
447	G	95.6	Very high	95.3	Very high	40 Å²	40	46.6 Å²	46.6	41%	0.412	25%	0.251	S	S	.	.			trans	88.6	2.2	174.3	0	0	0	0	0	116.8	S444 N445	S444-G447 PolarHBondContact O-N 3.35Å; S444-G447 PolarHBondContact OG-N 3Å; S444-G447 VanDerWaalsContact OG-N 3.08Å; N445-G447 VanDerWaalsContact C-N 3.26Å
448	L	98.1	Very high	95	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.052	27%	0.273	C	S	.	.			trans	-69.4	128.9	176.7	-62.7	-175.4	0	0	0	111.5	K443 S444 H498 T499 E502 F518 A524	K443-L448 CarbonylContact C-O 3.57Å; K443-L448 VanDerWaalsContact CA-O 3.29Å; K443-L448 WeakPolarHBondContact CA-O 3.31Å; S444-L448 PolarHBondContact N-O 3.21Å; S444-L448 WeakPolarHBondContact OG-CB 3.39Å; S444-L448 PolarHBondContact OG-N 3.1Å; L448-H498 WeakPolarHBondContact CD2-ND1 3.49Å; L448-T499 HydrophobicContact CB-CG2 4.01Å; L448-T499 HydrophobicContact CD1-CG2 4.37Å; L448-E502 HydrophobicContact CD1-CB 4.06Å; L448-E502 HydrophobicContact CD1-CG 4.28Å; L448-E502 HydrophobicContact CD2-CG 4.01Å; L448-F518 HydrophobicContact CB-CE1 4.28Å; L448-F518 HydrophobicContact CD1-CE1 4.26Å; L448-A524 HydrophobicContact CD1-CB 4.02Å
449	T	98.6	Very high	95	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.2	177	-57.3	0	0	0	0	110	I441 R442 K443 L492 E495 I496 T499	I441-T449 HydrophobicContact CG2-CG2 3.5Å; R442-T449 WeakPolarHBondContact O-CA 3.35Å; K443-T449 WeakPolarHBondContact CE-OG1 3.41Å; K443-T449 PolarHBondContact NZ-OG1 3.03Å; K443-T449 VanDerWaalsContact NZ-OG1 3.12Å; T449-L492 HydrophobicContact CG2-CD1 4.11Å; T449-E495 WeakPolarHBondContact CB-OE2 3.48Å; T449-E495 HydrophobicContact CG2-CB 4.48Å; T449-E495 PolarHBondContact OG1-OE2 3.33Å; T449-I496 HydrophobicContact CG2-CD1 4.19Å; T449-I496 WeakPolarHBondContact O-CD1 3.3Å; T449-T499 PolarHBondContact N-OG1 2.69Å; T449-T499 VanDerWaalsContact O-CB 3.27Å; T449-T499 WeakPolarHBondContact O-CB 3.28Å; T449-T499 WeakPolarHBondContact O-CG2 3.32Å; T449-T499 PolarHBondContact O-OG1 3.5Å
450	F	98.3	Very high	94.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.9	-177.2	73	-88.8	0	0	0	111.7	I441 R442 R461 M463 T499 F518	I441-F450 WeakPolarHBondContact CA-O 3.26Å; R442-F450 HydrophobicContact CB-CE1 3.86Å; R442-F450 HydrophobicContact CB-CE2 4.41Å; R442-F450 HydrophobicContact CB-CZ 3.74Å; R442-F450 PolarHBondContact N-O 2.79Å; R442-F450 WeakPolarHBondContact O-CD1 3.5Å; R442-F450 PolarHBondContact O-N 2.81Å; F450-R461 HydrophobicContact CE2-CB 4.2Å; F450-R461 HydrophobicContact CE2-CG 4.32Å; F450-R461 HydrophobicContact CZ-CB 4.11Å; F450-R461 HydrophobicContact CZ-CG 3.96Å; F450-M463 HydrophobicContact CB-SD 4.02Å; F450-T499 HydrophobicContact CB-CG2 4.3Å; F450-F518 HydrophobicContact CB-CD1 4.23Å; F450-F518 HydrophobicContact CB-CD2 3.66Å; F450-F518 HydrophobicContact CB-CE1 3.94Å; F450-F518 HydrophobicContact CB-CE2 3.34Å; F450-F518 HydrophobicContact CB-CG 4.1Å; F450-F518 HydrophobicContact CB-CZ 3.49Å; F450-F518 VanDerWaalsContact CB-CZ 3.49Å; F450-F518 HydrophobicContact CD1-CB 3.82Å; F450-F518 AromaticContact CD1-CD1 3.83Å; F450-F518 HydrophobicContact CD1-CD1 3.83Å; F450-F518 AromaticContact CD1-CD2 3.81Å; F450-F518 HydrophobicContact CD1-CD2 3.81Å; F450-F518 HydrophobicContact CD1-CE1 4.35Å; F450-F518 HydrophobicContact CD1-CE2 4.35Å; F450-F518 AromaticContact CD1-CG 3.52Å; F450-F518 HydrophobicContact CD1-CG 3.52Å; F450-F518 HydrophobicContact CD2-CB 4.49Å; F450-F518 AromaticContact CD2-CD2 3.56Å; F450-F518 HydrophobicContact CD2-CD2 3.56Å; F450-F518 HydrophobicContact CD2-CE2 4.02Å; F450-F518 HydrophobicContact CD2-CG 4.11Å; F450-F518 HydrophobicContact CE1-CB 3.68Å; F450-F518 HydrophobicContact CE1-CD1 4.49Å; F450-F518 HydrophobicContact CE1-CD2 4.36Å; F450-F518 AromaticContact CE1-CG 3.93Å; F450-F518 HydrophobicContact CE1-CG 3.93Å; F450-F518 HydrophobicContact CE2-CB 4.38Å; F450-F518 HydrophobicContact CE2-CD2 4.17Å; F450-F518 HydrophobicContact CE2-CG 4.49Å; F450-F518 HydrophobicContact CG-CB 4.24Å; F450-F518 HydrophobicContact CG-CD1 4.11Å; F450-F518 AromaticContact CG-CD2 3.37Å; F450-F518 HydrophobicContact CG-CD2 3.37Å; F450-F518 HydrophobicContact CG-CE1 4.32Å; F450-F518 AromaticContact CG-CE2 3.65Å; F450-F518 HydrophobicContact CG-CE2 3.65Å; F450-F518 AromaticContact CG-CG 3.62Å; F450-F518 HydrophobicContact CG-CG 3.62Å; F450-F518 HydrophobicContact CG-CZ 4.12Å; F450-F518 HydrophobicContact CZ-CB 3.98Å; F450-F518 HydrophobicContact CZ-CG 4.4Å
451	I	98.3	Very high	94.8	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.4	176.3	-40.6	-176.1	0	0	0	107.9	L400 I436 L440 I441 M463 A470 F474 I496	L400-I451 HydrophobicContact CB-CG2 3.77Å; L400-I451 HydrophobicContact CD2-CD1 3.64Å; L400-I451 HydrophobicContact CD2-CG2 4.24Å; I436-I451 HydrophobicContact CG2-CG2 4.49Å; L440-I451 HydrophobicContact CB-CG2 3.94Å; L440-I451 HydrophobicContact CD2-CG2 4.38Å; I441-I451 HydrophobicContact CD1-CD1 4.5Å; I441-I451 HydrophobicContact CD1-CG1 4.36Å; I441-I451 HydrophobicContact CG1-CG1 4.19Å; I441-I451 HydrophobicContact CG1-CG2 4.25Å; I451-M463 HydrophobicContact CB-CE 4.43Å; I451-M463 HydrophobicContact CB-SD 4.29Å; I451-M463 HydrophobicContact CD1-CE 4.34Å; I451-M463 HydrophobicContact CG1-CE 4.08Å; I451-M463 HydrophobicContact CG1-SD 4.33Å; I451-M463 PolarHBondContact N-SD 3.45Å; I451-M463 VanDerWaalsContact N-SD 3.39Å; I451-M463 WeakPolarHBondContact O-CB 3.11Å; I451-M463 WeakPolarHBondContact O-CG 3.47Å; I451-A470 HydrophobicContact CD1-CB 3.66Å; I451-F474 HydrophobicContact CD1-CE2 4.02Å; I451-F474 HydrophobicContact CD1-CZ 4.33Å; I451-I496 HydrophobicContact CD1-CD1 3.99Å; I451-I496 HydrophobicContact CD1-CG1 4.37Å; I451-I496 HydrophobicContact CG1-CD1 3.64Å
452	G	97	Very high	94.7	Very high	2 Å²	2	51 Å²	51	2%	0.021	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-86.1	166.1	177.9	0	0	0	0	0	113.4	L440 E460 K462	L440-G452 WeakPolarHBondContact CB-O 3.47Å; L440-G452 WeakPolarHBondContact CD2-O 3.36Å; L440-G452 VanDerWaalsContact CG-O 3.28Å; L440-G452 WeakPolarHBondContact CG-O 3.43Å; L440-G452 PolarHBondContact O-N 2.8Å; G452-E460 WeakPolarHBondContact CA-O 3.36Å; G452-K462 WeakPolarHBondContact CA-O 3.4Å
453	E	96.1	Very high	94.7	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.1	172.9	-60.6	-174.4	-117	0	0	111.1	H397 K455 E460 K462	H397-E453 IonicContact CD2-OE2 3.75Å; H397-E453 IonicContact CE1-OE2 3.85Å; H397-E453 PolarHBondContact CE1-OE2 3.29Å; H397-E453 IonicContact NE2-OE2 3.89Å; H397-E453 PolarHBondContact NE2-OE2 3.12Å; E453-K455 IonicContact OE1-NZ 3.75Å; E453-K455 PolarHBondContact OE1-NZ 2.9Å; E453-K455 WeakPolarHBondContact OE2-CE 3.45Å; E453-K455 IonicContact OE2-NZ 2.8Å; E453-K455 PolarHBondContact OE2-NZ 3.06Å; E453-E460 HydrophobicContact CB-CB 4.41Å; E453-E460 PolarHBondContact N-O 3.29Å; E453-E460 PolarHBondContact O-N 3.25Å; E453-K462 IonicContact OE1-NZ 3.71Å
454	W	95.6	Very high	94.7	Very high	35 Å²	35	42.6 Å²	42.6	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.4	177.2	-173.6	-91.6	0	0	0	110.9	L381 H397 T398 H439 L440 G457 H458 L459	L381-W454 HydrophobicContact CD1-CB 4.16Å; L381-W454 HydrophobicContact CD1-CD2 4.07Å; L381-W454 HydrophobicContact CD1-CG 3.71Å; H397-W454 CarbonylContact C-O 3.59Å; H397-W454 VanDerWaalsContact CA-O 3.28Å; H397-W454 WeakPolarHBondContact CA-O 3.37Å; T398-W454 PolarHBondContact N-O 3.46Å; T398-W454 PolarHBondContact O-N 3.26Å; H439-W454 HydrophobicContact CB-CD2 4.43Å; H439-W454 HydrophobicContact CB-CE3 3.97Å; H439-W454 HydrophobicContact CB-CZ3 4.03Å; H439-W454 AromaticContact ND1-CH2 3.57Å; H439-W454 AromaticContact ND1-CZ2 3.96Å; H439-W454 AromaticContact ND1-CZ3 3.86Å; L440-W454 HydrophobicContact CD1-CB 3.72Å; L440-W454 HydrophobicContact CD1-CG 4.38Å; L440-W454 HydrophobicContact CG-CB 4.15Å; W454-G457 WeakPolarHBondContact CZ2-O 3.47Å; W454-H458 CarbonylContact C-O 3.56Å; W454-L459 HydrophobicContact CE3-CB 4.2Å; W454-L459 HydrophobicContact CE3-CD1 4.47Å; W454-L459 HydrophobicContact CZ3-CB 4.39Å
455	K	92.7	Very high	94.9	Very high	59 Å²	59	42.1 Å²	42.1	26%	0.257	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117	-175.4	-71.2	168.9	-174.9	162.7	0	110.5	H397 E453 G457 H458 E460	H397-K455 HydrophobicContact CB-CG 4.31Å; H397-K455 WeakPolarHBondContact NE2-CE 3.46Å; E453-K455 IonicContact OE1-NZ 3.75Å; E453-K455 PolarHBondContact OE1-NZ 2.9Å; E453-K455 WeakPolarHBondContact OE2-CE 3.45Å; E453-K455 IonicContact OE2-NZ 2.8Å; E453-K455 PolarHBondContact OE2-NZ 3.06Å; K455-G457 PolarHBondContact O-N 3.03Å; K455-G457 VanDerWaalsContact O-N 3.09Å; K455-H458 PolarHBondContact N-O 3.42Å; K455-H458 PolarHBondContact O-N 3.02Å; K455-E460 IonicContact NZ-OE2 3.94Å; K455-E460 PolarHBondContact NZ-OE2 3.03Å
456	N	84	Confident	95.2	Very high	119 Å²	119	37.8 Å²	37.8	64%	0.636	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	31.9	174	-57.6	-31.5	0	0	0	114.6	H396	H396-N456 PolarHBondContact O-N 3.44Å
457	G	86.1	Confident	95.5	Very high	40 Å²	40	35.1 Å²	35.1	41%	0.412	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	1	-178.4	0	0	0	0	0	115.6	W454 K455	W454-G457 WeakPolarHBondContact CZ2-O 3.47Å; K455-G457 PolarHBondContact O-N 3.03Å; K455-G457 VanDerWaalsContact O-N 3.09Å
458	H	92	Very high	95.6	Very high	143 Å²	143	33.2 Å²	33.2	66%	0.662	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	147	177.7	-59.2	-69.7	0	0	0	111.7	W454 K455	W454-H458 CarbonylContact C-O 3.56Å; K455-H458 PolarHBondContact N-O 3.42Å; K455-H458 PolarHBondContact O-N 3.02Å
459	L	95.3	Very high	95.7	Very high	45 Å²	45	33 Å²	33	24%	0.236	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.8	174.7	-176.4	65.4	0	0	0	110.6	R442 W454	R442-L459 HydrophobicContact CG-CD2 3.42Å; R442-L459 VanDerWaalsContact CG-CD2 3.42Å; W454-L459 HydrophobicContact CE3-CB 4.2Å; W454-L459 HydrophobicContact CE3-CD1 4.47Å; W454-L459 HydrophobicContact CZ3-CB 4.39Å
460	E	95.3	Very high	95.7	Very high	48 Å²	48	32.8 Å²	32.8	22%	0.224	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.1	167.3	-171.1	175.1	-179.6	0	0	109.2	G452 E453 K455 K462	G452-E460 WeakPolarHBondContact CA-O 3.36Å; E453-E460 HydrophobicContact CB-CB 4.41Å; E453-E460 PolarHBondContact N-O 3.29Å; E453-E460 PolarHBondContact O-N 3.25Å; K455-E460 IonicContact NZ-OE2 3.94Å; K455-E460 PolarHBondContact NZ-OE2 3.03Å; E460-K462 HydrophobicContact CG-CB 4Å; E460-K462 PolarHBondContact O-N 3.11Å
461	R	96	Very high	95.7	Very high	73 Å²	73	32.8 Å²	32.8	28%	0.275	17%	0.17	S	C	.	.	S	Bend	trans	-79.4	56.9	-179	-63.5	-178.6	61.4	98.4	-2.9	111.8	K443 F450 K517 F518	K443-R461 PolarHBondContact O-NH2 3.04Å; F450-R461 HydrophobicContact CE2-CB 4.2Å; F450-R461 HydrophobicContact CE2-CG 4.32Å; F450-R461 HydrophobicContact CZ-CB 4.11Å; F450-R461 HydrophobicContact CZ-CG 3.96Å; R461-K517 WeakPolarHBondContact O-CA 3.19Å; R461-F518 HydrophobicContact CB-CB 4.44Å; R461-F518 PolarHBondContact NE-O 3.33Å; R461-F518 PolarHBondContact NH2-O 3.26Å; R461-F518 VanDerWaalsContact NH2-O 3.1Å; R461-F518 PolarHBondContact O-N 3.46Å
462	K	95.4	Very high	95.7	Very high	29 Å²	29	32.6 Å²	32.6	13%	0.126	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.6	-179.1	179.3	-170.8	167.8	-172.7	0	108.6	G452 E453 E460 A515 F516 K517 E531	G452-K462 WeakPolarHBondContact CA-O 3.4Å; E453-K462 IonicContact OE1-NZ 3.71Å; E460-K462 HydrophobicContact CG-CB 4Å; E460-K462 PolarHBondContact O-N 3.11Å; K462-A515 HydrophobicContact CD-CB 4.44Å; K462-A515 HydrophobicContact CG-CB 4.4Å; K462-F516 WeakPolarHBondContact CA-O 3.44Å; K462-K517 HydrophobicContact CB-CG 4.22Å; K462-K517 HydrophobicContact CG-CG 4.35Å; K462-E531 WeakPolarHBondContact CE-OE1 3.44Å; K462-E531 IonicContact NZ-OE1 2.68Å; K462-E531 PolarHBondContact NZ-OE1 2.76Å
463	M	97.8	Very high	95.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.5	173.4	-172.4	167.1	172.6	0	0	108.8	F450 I451 A467 I496 A515 F516 F518	F450-M463 HydrophobicContact CB-SD 4.02Å; I451-M463 HydrophobicContact CB-CE 4.43Å; I451-M463 HydrophobicContact CB-SD 4.29Å; I451-M463 HydrophobicContact CD1-CE 4.34Å; I451-M463 HydrophobicContact CG1-CE 4.08Å; I451-M463 HydrophobicContact CG1-SD 4.33Å; I451-M463 PolarHBondContact N-SD 3.45Å; I451-M463 VanDerWaalsContact N-SD 3.39Å; I451-M463 WeakPolarHBondContact O-CB 3.11Å; I451-M463 WeakPolarHBondContact O-CG 3.47Å; M463-A467 HydrophobicContact CE-CB 3.93Å; M463-A467 WeakPolarHBondContact CE-O 3.49Å; M463-A467 HydrophobicContact CG-CB 3.89Å; M463-I496 HydrophobicContact CE-CG2 4.11Å; M463-A515 CarbonylContact O-C 3.51Å; M463-A515 WeakPolarHBondContact O-CA 3.3Å; M463-A515 WeakPolarHBondContact O-CB 3.41Å; M463-F516 HydrophobicContact CB-CD2 4.1Å; M463-F516 HydrophobicContact CB-CE2 3.68Å; M463-F516 HydrophobicContact CB-CZ 4.19Å; M463-F516 HydrophobicContact CG-CE2 3.88Å; M463-F516 HydrophobicContact CG-CZ 4.01Å; M463-F516 PolarHBondContact N-O 3.1Å; M463-F516 PolarHBondContact O-N 3.02Å; M463-F516 HydrophobicContact SD-CE2 4Å; M463-F516 HydrophobicContact SD-CZ 4.32Å; M463-F518 HydrophobicContact CB-CE2 3.88Å
464	G	97.7	Very high	95.9	Very high	18 Å²	18	31.8 Å²	31.8	19%	0.186	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	157.7	174.1	0	0	0	0	0	111.8	L466 A467 E514	G464-L466 VanDerWaalsContact C-N 3.27Å; G464-L466 PolarHBondContact O-N 3.08Å; G464-A467 WeakPolarHBondContact O-CB 3.25Å; G464-A467 PolarHBondContact O-N 3.37Å; G464-E514 CarbonylContact C-O 3.39Å; G464-E514 WeakPolarHBondContact CA-O 3.13Å
465	H	98.8	Very high	96.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-55.4	-44.2	171.8	-163.8	-67.9	0	0	0	111.2	A467 C468 Y504 E514 Y534 E539	H465-A467 PolarHBondContact O-N 3.4Å; H465-A467 VanDerWaalsContact O-N 3.16Å; H465-C468 WeakPolarHBondContact O-CB 3.04Å; H465-C468 PolarHBondContact O-N 3.46Å; H465-Y504 AromaticContact NE2-CE2 3.39Å; H465-Y504 WeakPolarHBondContact NE2-CE2 3.5Å; H465-Y504 AromaticContact NE2-CZ 3.68Å; H465-Y504 PolarHBondContact NE2-OH 3.03Å; H465-E514 PolarHBondContact N-O 3.44Å; H465-Y534 AromaticContact NE2-CD2 3.78Å; H465-Y534 AromaticContact NE2-CE2 3.65Å; H465-E539 IonicContact CE1-OE2 2.67Å; H465-E539 PolarHBondContact CE1-OE2 3.31Å; H465-E539 IonicContact CG-OE2 3.72Å; H465-E539 IonicContact ND1-OE2 3.47Å; H465-E539 PolarHBondContact ND1-OE2 3.16Å
466	L	98.4	Very high	96.3	Very high	41 Å²	41	28 Å²	28	22%	0.215	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-45.2	-44.9	169.8	-78.5	162.6	0	0	0	113	G464 C468 F469 R537 E539	G464-L466 VanDerWaalsContact C-N 3.27Å; G464-L466 PolarHBondContact O-N 3.08Å; L466-C468 PolarHBondContact O-N 3.12Å; L466-F469 WeakPolarHBondContact O-CD1 3.35Å; L466-F469 PolarHBondContact O-N 2.55Å; L466-R537 VanDerWaalsContact CD2-NH1 3.34Å; L466-E539 WeakPolarHBondContact CD2-OE1 3.3Å
467	A	98.6	Very high	96.9	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.025	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-69	-5.5	-176.6	0	0	0	0	0	114	L400 M463 G464 H465 F469 A470	L400-A467 WeakPolarHBondContact O-CA 3.25Å; L400-A467 WeakPolarHBondContact O-CB 3.4Å; M463-A467 HydrophobicContact CE-CB 3.93Å; M463-A467 WeakPolarHBondContact CE-O 3.49Å; M463-A467 HydrophobicContact CG-CB 3.89Å; G464-A467 WeakPolarHBondContact O-CB 3.25Å; G464-A467 PolarHBondContact O-N 3.37Å; H465-A467 PolarHBondContact O-N 3.4Å; H465-A467 VanDerWaalsContact O-N 3.16Å; A467-F469 VanDerWaalsContact C-N 3.3Å; A467-A470 WeakPolarHBondContact O-CB 3.46Å; A467-A470 PolarHBondContact O-N 2.75Å
468	C	98.9	Very high	97.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-72.9	-19.3	173	-69.4	0	0	0	0	113.7	H465 L466 A470 G471 C500 E539 V540 T543	H465-C468 WeakPolarHBondContact O-CB 3.04Å; H465-C468 PolarHBondContact O-N 3.46Å; L466-C468 PolarHBondContact O-N 3.12Å; C468-A470 PolarHBondContact O-N 2.92Å; C468-A470 VanDerWaalsContact O-N 3.1Å; C468-G471 PolarHBondContact O-N 3.18Å; C468-C500 VanDerWaalsContact CA-SG 3.5Å; C468-C500 HydrophobicContact CB-CB 3.84Å; C468-C500 WeakPolarHBondContact CB-SG 3.19Å; C468-C500 WeakPolarHBondContact SG-CB 3.03Å; C468-C500 CovalentContact SG-SG 2.03Å; C468-C500 PolarHBondContact SG-SG 3.17Å; C468-E539 CarbonylContact C-O 3.6Å; C468-V540 HydrophobicContact CB-CB 4.47Å; C468-V540 HydrophobicContact CB-CG2 3.51Å; C468-T543 PolarHBondContact O-OG1 3.26Å
469	F	98.8	Very high	97.2	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-53.7	-31	171.4	97.7	-81.8	0	0	0	111.6	L400 D405 E409 L466 A467 G471 G472 M473 E539 T543	L400-F469 HydrophobicContact CG-CE1 4.41Å; L400-F469 WeakPolarHBondContact O-CE1 3.36Å; D405-F469 HydrophobicContact CB-CD1 4.1Å; D405-F469 HydrophobicContact CB-CE1 3.65Å; D405-F469 HydrophobicContact CB-CZ 4.33Å; D405-F469 WeakPolarHBondContact O-CZ 3.29Å; E409-F469 HydrophobicContact CB-CD2 4.43Å; E409-F469 HydrophobicContact CB-CE2 3.64Å; E409-F469 HydrophobicContact CB-CZ 4.32Å; E409-F469 HydrophobicContact CG-CD2 4.19Å; E409-F469 HydrophobicContact CG-CE2 3.84Å; L466-F469 WeakPolarHBondContact O-CD1 3.35Å; L466-F469 PolarHBondContact O-N 2.55Å; A467-F469 VanDerWaalsContact C-N 3.3Å; F469-G471 PolarHBondContact O-N 3.49Å; F469-G471 VanDerWaalsContact O-N 3.13Å; F469-G472 PolarHBondContact O-N 3.41Å; F469-M473 HydrophobicContact CD2-CB 4.16Å; F469-M473 HydrophobicContact CE2-CB 3.82Å; F469-M473 HydrophobicContact CE2-CE 4.26Å; F469-M473 HydrophobicContact CE2-CG 4.04Å; F469-M473 HydrophobicContact CE2-SD 3.45Å; F469-M473 WeakPolarHBondContact CE2-SD 3.24Å; F469-M473 HydrophobicContact CZ-CE 4.03Å; F469-M473 HydrophobicContact CZ-SD 3.64Å; F469-M473 PolarHBondContact O-N 3.48Å; F469-E539 HydrophobicContact CB-CB 3.95Å; F469-E539 HydrophobicContact CB-CG 4.43Å; F469-T543 PolarHBondContact O-OG1 2.74Å
470	A	98.8	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-25.6	-175.1	0	0	0	0	0	113.1	L400 I451 A467 C468 M473 F474	L400-A470 HydrophobicContact CD2-CB 3.7Å; I451-A470 HydrophobicContact CD1-CB 3.66Å; A467-A470 WeakPolarHBondContact O-CB 3.46Å; A467-A470 PolarHBondContact O-N 2.75Å; C468-A470 PolarHBondContact O-N 2.92Å; C468-A470 VanDerWaalsContact O-N 3.1Å; A470-M473 HydrophobicContact CB-CE 4.31Å; A470-M473 PolarHBondContact O-N 3.21Å; A470-F474 HydrophobicContact CB-CD2 4.45Å; A470-F474 HydrophobicContact CB-CE2 3.94Å; A470-F474 HydrophobicContact CB-CZ 4.25Å; A470-F474 WeakPolarHBondContact O-CB 3.5Å; A470-F474 WeakPolarHBondContact O-CD2 3.47Å; A470-F474 WeakPolarHBondContact O-CG 3.33Å; A470-F474 PolarHBondContact O-N 3.48Å
471	G	98.8	Very high	96.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-50.1	175.7	0	0	0	0	0	112	C468 F469 F474 A475 G493	C468-G471 PolarHBondContact O-N 3.18Å; F469-G471 PolarHBondContact O-N 3.49Å; F469-G471 VanDerWaalsContact O-N 3.13Å; G471-F474 PolarHBondContact O-N 2.94Å; G471-A475 PolarHBondContact O-N 3.43Å; G471-G493 VanDerWaalsContact O-CA 3.32Å; G471-G493 WeakPolarHBondContact O-CA 3.19Å
472	G	98.8	Very high	95.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.9	-40.5	172.6	0	0	0	0	0	112.3	F469 F474 A475 L476 T543	F469-G472 PolarHBondContact O-N 3.41Å; G472-F474 PolarHBondContact O-N 3.25Å; G472-A475 PolarHBondContact O-N 3.05Å; G472-L476 WeakPolarHBondContact O-CB 3.43Å; G472-L476 PolarHBondContact O-N 3.32Å; G472-T543 PolarHBondContact N-OG1 2.9Å
473	M	98.7	Very high	95	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.034	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-41.2	175.3	-172.1	-170.4	61.8	0	0	112.7	L400 E409 L412 Y429 I433 F469 A470 G477	L400-M473 HydrophobicContact CD2-CE 4.26Å; E409-M473 HydrophobicContact CB-SD 4.42Å; L412-M473 HydrophobicContact CD2-CG 3.95Å; L412-M473 VanDerWaalsContact CD2-O 3.3Å; L412-M473 WeakPolarHBondContact CD2-O 3.49Å; Y429-M473 HydrophobicContact CE2-CE 4.21Å; Y429-M473 HydrophobicContact CE2-CG 3.97Å; Y429-M473 HydrophobicContact CE2-SD 3.84Å; Y429-M473 PolarHBondContact OH-O 2.95Å; I433-M473 HydrophobicContact CD1-CE 3.92Å; F469-M473 HydrophobicContact CD2-CB 4.16Å; F469-M473 HydrophobicContact CE2-CB 3.82Å; F469-M473 HydrophobicContact CE2-CE 4.26Å; F469-M473 HydrophobicContact CE2-CG 4.04Å; F469-M473 HydrophobicContact CE2-SD 3.45Å; F469-M473 WeakPolarHBondContact CE2-SD 3.24Å; F469-M473 HydrophobicContact CZ-CE 4.03Å; F469-M473 HydrophobicContact CZ-SD 3.64Å; F469-M473 PolarHBondContact O-N 3.48Å; A470-M473 HydrophobicContact CB-CE 4.31Å; A470-M473 PolarHBondContact O-N 3.21Å; M473-G477 PolarHBondContact O-N 3.07Å
474	F	98.6	Very high	94.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-70.1	-40	177.5	-63.7	-42.9	0	0	0	112	L400 I433 I441 I451 A470 G471 G472 G477 A478 L492 I496	L400-F474 HydrophobicContact CD2-CZ 4.1Å; I433-F474 HydrophobicContact CD1-CE1 4.01Å; I433-F474 HydrophobicContact CG1-CE1 4.3Å; I433-F474 HydrophobicContact CG2-CD1 4.23Å; I433-F474 HydrophobicContact CG2-CE1 3.74Å; I441-F474 HydrophobicContact CD1-CE2 4.14Å; I441-F474 HydrophobicContact CD1-CZ 4.03Å; I451-F474 HydrophobicContact CD1-CE2 4.02Å; I451-F474 HydrophobicContact CD1-CZ 4.33Å; A470-F474 HydrophobicContact CB-CD2 4.45Å; A470-F474 HydrophobicContact CB-CE2 3.94Å; A470-F474 HydrophobicContact CB-CZ 4.25Å; A470-F474 WeakPolarHBondContact O-CB 3.5Å; A470-F474 WeakPolarHBondContact O-CD2 3.47Å; A470-F474 WeakPolarHBondContact O-CG 3.33Å; A470-F474 PolarHBondContact O-N 3.48Å; G471-F474 PolarHBondContact O-N 2.94Å; G472-F474 PolarHBondContact O-N 3.25Å; F474-G477 PolarHBondContact O-N 2.8Å; F474-A478 PolarHBondContact O-N 2.81Å; F474-L492 HydrophobicContact CD1-CD2 4.25Å; F474-L492 HydrophobicContact CD2-CD2 3.73Å; F474-L492 HydrophobicContact CD2-CG 3.71Å; F474-L492 HydrophobicContact CE1-CD2 4.3Å; F474-L492 HydrophobicContact CE2-CD2 3.77Å; F474-L492 HydrophobicContact CE2-CG 3.99Å; F474-L492 HydrophobicContact CG-CD2 3.99Å; F474-L492 HydrophobicContact CG-CG 4.27Å; F474-L492 HydrophobicContact CZ-CD2 4.08Å; F474-I496 HydrophobicContact CD2-CG1 4.28Å; F474-I496 HydrophobicContact CE2-CG1 4.15Å
475	A	98.4	Very high	94	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-44.2	174.8	0	0	0	0	0	112.2	G471 G472 G477 A478 L490 M547 F550	G471-A475 PolarHBondContact O-N 3.43Å; G472-A475 PolarHBondContact O-N 3.05Å; A475-G477 VanDerWaalsContact C-N 3.3Å; A475-G477 PolarHBondContact O-N 3.05Å; A475-A478 VanDerWaalsContact O-CB 3.28Å; A475-A478 WeakPolarHBondContact O-CB 3.32Å; A475-A478 PolarHBondContact O-N 2.74Å; A475-L490 HydrophobicContact CB-CD1 3.88Å; A475-M547 HydrophobicContact CB-SD 3.59Å; A475-M547 VanDerWaalsContact CB-SD 3.59Å; A475-F550 HydrophobicContact CB-CD2 3.8Å; A475-F550 HydrophobicContact CB-CE2 4.38Å
476	L	97.9	Very high	93.8	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-32.5	175.3	-176.9	64.3	0	0	0	112.5	L412 K413 L416 G472 Y546 F550	L412-L476 HydrophobicContact CD2-CB 4.11Å; L412-L476 HydrophobicContact CD2-CD2 4.13Å; L412-L476 HydrophobicContact CD2-CG 4.01Å; K413-L476 HydrophobicContact CG-CD2 4.37Å; L416-L476 HydrophobicContact CD1-CD1 3.75Å; L416-L476 HydrophobicContact CD1-CD2 3.88Å; L416-L476 HydrophobicContact CD1-CG 3.65Å; G472-L476 WeakPolarHBondContact O-CB 3.43Å; G472-L476 PolarHBondContact O-N 3.32Å; L476-Y546 HydrophobicContact CB-CD1 4.28Å; L476-Y546 HydrophobicContact CB-CE1 4.4Å; L476-Y546 HydrophobicContact CD1-CD1 4.32Å; L476-Y546 HydrophobicContact CD1-CE1 4.02Å; L476-Y546 HydrophobicContact CD2-CD1 4.49Å; L476-Y546 HydrophobicContact CD2-CE1 3.8Å; L476-Y546 HydrophobicContact CG-CE1 4.29Å; L476-F550 HydrophobicContact CB-CE2 4.13Å; L476-F550 HydrophobicContact CD1-CE2 4.16Å; L476-F550 HydrophobicContact CD1-CZ 3.87Å
477	G	96.6	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-85.3	-5.8	177.4	0	0	0	0	0	115.2	R426 M473 F474 A475	R426-G477 PolarHBondContact NH1-O 2.95Å; R426-G477 VanDerWaalsContact NH1-O 3.12Å; R426-G477 PolarHBondContact NH2-O 3.16Å; M473-G477 PolarHBondContact O-N 3.07Å; F474-G477 PolarHBondContact O-N 2.8Å; A475-G477 VanDerWaalsContact C-N 3.3Å; A475-G477 PolarHBondContact O-N 3.05Å
478	A	96.1	Very high	93.6	Very high	8 Å²	8	35.1 Å²	35.1	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-43.4	-177.9	0	0	0	0	0	112.2	F474 A475 S481 A486 L490	F474-A478 PolarHBondContact O-N 2.81Å; A475-A478 VanDerWaalsContact O-CB 3.28Å; A475-A478 WeakPolarHBondContact O-CB 3.32Å; A475-A478 PolarHBondContact O-N 2.74Å; A478-S481 VanDerWaalsContact O-CB 3.31Å; A478-S481 WeakPolarHBondContact O-CB 3.15Å; A478-S481 PolarHBondContact O-N 3.02Å; A478-S481 PolarHBondContact O-OG 3.23Å; A478-A486 WeakPolarHBondContact CB-O 3.21Å; A478-A486 WeakPolarHBondContact O-CA 3.33Å; A478-A486 VanDerWaalsContact O-CB 3.27Å; A478-A486 WeakPolarHBondContact O-CB 3.29Å; A478-L490 HydrophobicContact CB-CB 4.37Å
479	D	88.4	Confident	93.6	Very high	93 Å²	93	35.1 Å²	35.1	50%	0.497	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	139.9	172.1	177.8	42.1	0	0	0	111.2	K420 R426 S481	K420-D479 IonicContact NZ-OD2 3.91Å; K420-D479 PolarHBondContact NZ-OD2 3.47Å; R426-D479 PolarHBondContact NH1-O 3.04Å; D479-S481 PolarHBondContact O-N 3.09Å
480	G	82.5	Confident	93.6	Very high	42 Å²	42	37.4 Å²	37.4	43%	0.433	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	17.2	-173.3	0	0	0	0	0	115.3
481	S	85.3	Confident	93.5	Very high	17 Å²	17	42.5 Å²	42.5	12%	0.119	25%	0.251	C	S	.	.			trans	-72	147.9	172	58.6	0	0	0	0	112.5	A478 D479 A486	A478-S481 VanDerWaalsContact O-CB 3.31Å; A478-S481 WeakPolarHBondContact O-CB 3.15Å; A478-S481 PolarHBondContact O-N 3.02Å; A478-S481 PolarHBondContact O-OG 3.23Å; D479-S481 PolarHBondContact O-N 3.09Å; S481-A486 WeakPolarHBondContact OG-CA 3.07Å; S481-A486 PolarHBondContact OG-N 2.77Å; S481-A486 VanDerWaalsContact OG-N 3.07Å
482	P	83	Confident	93.5	Very high	47 Å²	47	43 Å²	43	31%	0.305	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-69	160.4	178.8	28.3	-34.9	0	0	0	112.4	D430 D484 K485	D430-P482 HydrophobicContact CB-CG 4.38Å; P482-D484 PolarHBondContact O-N 3.27Å; P482-D484 VanDerWaalsContact O-N 3.15Å; P482-K485 VanDerWaalsContact O-CB 3.32Å; P482-K485 WeakPolarHBondContact O-CB 3.39Å; P482-K485 WeakPolarHBondContact O-CD 3.38Å; P482-K485 VanDerWaalsContact O-CG 3.24Å; P482-K485 WeakPolarHBondContact O-CG 3.28Å; P482-K485 PolarHBondContact O-N 2.89Å; P482-K485 VanDerWaalsContact O-N 3.13Å
483	D	83.9	Confident	93.5	Very high	134 Å²	134	43 Å²	43	72%	0.717	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	54	30.6	172	-44.9	-42.9	0	0	0	115.8	K485	D483-K485 HydrophobicContact CB-CD 4.48Å; D483-K485 HydrophobicContact CB-CG 4.4Å; D483-K485 PolarHBondContact O-N 3.29Å; D483-K485 IonicContact OD2-NZ 2.64Å; D483-K485 PolarHBondContact OD2-NZ 3.34Å
484	D	83.1	Confident	93.5	Very high	151 Å²	151	43.5 Å²	43.5	81%	0.807	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	59.3	27.2	-177.5	-157.7	25.5	0	0	0	114	P482 A486	P482-D484 PolarHBondContact O-N 3.27Å; P482-D484 VanDerWaalsContact O-N 3.15Å; D484-A486 PolarHBondContact O-N 2.9Å
485	K	92.4	Very high	93.5	Very high	43 Å²	43	45.8 Å²	45.8	19%	0.187	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	5.9	179.5	-68.8	168.8	-176.1	150.9	0	114.3	E434 P482 D483 G487 H488 Y489	E434-K485 IonicContact OE1-NZ 2.8Å; E434-K485 PolarHBondContact OE1-NZ 3.07Å; P482-K485 VanDerWaalsContact O-CB 3.32Å; P482-K485 WeakPolarHBondContact O-CB 3.39Å; P482-K485 WeakPolarHBondContact O-CD 3.38Å; P482-K485 VanDerWaalsContact O-CG 3.24Å; P482-K485 WeakPolarHBondContact O-CG 3.28Å; P482-K485 PolarHBondContact O-N 2.89Å; P482-K485 VanDerWaalsContact O-N 3.13Å; D483-K485 HydrophobicContact CB-CD 4.48Å; D483-K485 HydrophobicContact CB-CG 4.4Å; D483-K485 PolarHBondContact O-N 3.29Å; D483-K485 IonicContact OD2-NZ 2.64Å; D483-K485 PolarHBondContact OD2-NZ 3.34Å; K485-G487 PolarHBondContact O-N 3.04Å; K485-H488 WeakPolarHBondContact O-CA 3.4Å; K485-H488 WeakPolarHBondContact O-CB 3.43Å; K485-H488 PolarHBondContact O-N 3.16Å; K485-Y489 HydrophobicContact CB-CD2 3.83Å; K485-Y489 HydrophobicContact CB-CE2 3.61Å; K485-Y489 HydrophobicContact CD-CE2 4.16Å; K485-Y489 HydrophobicContact CG-CE2 4.49Å; K485-Y489 WeakPolarHBondContact O-CD2 3.44Å; K485-Y489 PolarHBondContact O-N 2.91Å
486	A	94.1	Very high	93.6	Very high	34 Å²	34	45.7 Å²	45.7	28%	0.281	27%	0.269	S	S	.	.	H	α-helix	trans	-58.3	-46.4	-176.6	0	0	0	0	0	112.3	A478 S481 D484 H488 Y489 L490	A478-A486 WeakPolarHBondContact CB-O 3.21Å; A478-A486 WeakPolarHBondContact O-CA 3.33Å; A478-A486 VanDerWaalsContact O-CB 3.27Å; A478-A486 WeakPolarHBondContact O-CB 3.29Å; S481-A486 WeakPolarHBondContact OG-CA 3.07Å; S481-A486 PolarHBondContact OG-N 2.77Å; S481-A486 VanDerWaalsContact OG-N 3.07Å; D484-A486 PolarHBondContact O-N 2.9Å; A486-H488 VanDerWaalsContact C-N 3.3Å; A486-H488 PolarHBondContact O-N 3.48Å; A486-Y489 PolarHBondContact O-N 3.39Å; A486-L490 WeakPolarHBondContact O-CB 3.29Å; A486-L490 PolarHBondContact O-N 3.1Å
487	G	96.3	Very high	93.6	Very high	55 Å²	55	45 Å²	45	57%	0.567	27%	0.266	S	S	*	.	H	α-helix	trans	-64.8	-32.1	175.7	0	0	0	0	0	113.5	K485 Q491	K485-G487 PolarHBondContact O-N 3.04Å; G487-Q491 VanDerWaalsContact O-CB 3.29Å; G487-Q491 WeakPolarHBondContact O-CB 3.44Å; G487-Q491 PolarHBondContact O-N 3.42Å; G487-Q491 VanDerWaalsContact O-N 3.1Å
488	H	97.1	Very high	93.7	Very high	86 Å²	86	48.7 Å²	48.7	40%	0.398	28%	0.282	S	S	.	.	H	α-helix	trans	-69.2	-48.3	175.6	166.8	79.4	0	0	0	111.5	E437 K485 A486 Q491 L492	E437-H488 IonicContact OE1-CD2 2.75Å; E437-H488 IonicContact OE1-CE1 3.68Å; E437-H488 IonicContact OE1-NE2 2.65Å; E437-H488 PolarHBondContact OE1-NE2 2.88Å; E437-H488 IonicContact OE2-CE1 2.71Å; E437-H488 PolarHBondContact OE2-CE1 3.49Å; E437-H488 IonicContact OE2-NE2 2.9Å; E437-H488 PolarHBondContact OE2-NE2 3.42Å; K485-H488 WeakPolarHBondContact O-CA 3.4Å; K485-H488 WeakPolarHBondContact O-CB 3.43Å; K485-H488 PolarHBondContact O-N 3.16Å; A486-H488 VanDerWaalsContact C-N 3.3Å; A486-H488 PolarHBondContact O-N 3.48Å; H488-Q491 PolarHBondContact O-N 2.62Å; H488-L492 WeakPolarHBondContact O-CB 2.96Å; H488-L492 PolarHBondContact O-N 3.4Å
489	Y	98.1	Very high	93.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-34.8	179.6	-70.7	-52.7	0	0	0	113.3	I433 E437 K485 A486 L492 G493	I433-Y489 HydrophobicContact CG2-CD1 4.43Å; I433-Y489 HydrophobicContact CG2-CE1 3.59Å; E437-Y489 VanDerWaalsContact OE1-CE1 3.31Å; E437-Y489 WeakPolarHBondContact OE1-CE1 3.35Å; K485-Y489 HydrophobicContact CB-CD2 3.83Å; K485-Y489 HydrophobicContact CB-CE2 3.61Å; K485-Y489 HydrophobicContact CD-CE2 4.16Å; K485-Y489 HydrophobicContact CG-CE2 4.49Å; K485-Y489 WeakPolarHBondContact O-CD2 3.44Å; K485-Y489 PolarHBondContact O-N 2.91Å; A486-Y489 PolarHBondContact O-N 3.39Å; Y489-L492 HydrophobicContact CD1-CD2 4.33Å; Y489-L492 PolarHBondContact O-N 3.44Å; Y489-G493 PolarHBondContact O-N 3.09Å
490	L	97.9	Very high	94.4	Very high	53 Å²	53	43.9 Å²	43.9	28%	0.277	26%	0.256	S	S	.	.	H	α-helix	trans	-66.7	-39.9	172.6	-173	62.2	0	0	0	111.9	A475 A478 A486 G493 A494 M547 F550 T551	A475-L490 HydrophobicContact CB-CD1 3.88Å; A478-L490 HydrophobicContact CB-CB 4.37Å; A486-L490 WeakPolarHBondContact O-CB 3.29Å; A486-L490 PolarHBondContact O-N 3.1Å; L490-G493 PolarHBondContact O-N 2.95Å; L490-A494 PolarHBondContact O-N 3.02Å; L490-M547 HydrophobicContact CD1-CE 3.99Å; L490-F550 HydrophobicContact CD1-CB 3.92Å; L490-T551 HydrophobicContact CD1-CG2 4.02Å; L490-T551 HydrophobicContact CD2-CG2 4.36Å; L490-T551 HydrophobicContact CG-CG2 4.38Å
491	Q	98.4	Very high	95.1	Very high	107 Å²	107	42.9 Å²	42.9	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-42.2	172.8	176.5	60.8	25.9	0	0	111.6	G487 H488 G493 A494 E495	G487-Q491 VanDerWaalsContact O-CB 3.29Å; G487-Q491 WeakPolarHBondContact O-CB 3.44Å; G487-Q491 PolarHBondContact O-N 3.42Å; G487-Q491 VanDerWaalsContact O-N 3.1Å; H488-Q491 PolarHBondContact O-N 2.62Å; Q491-G493 VanDerWaalsContact C-N 3.34Å; Q491-G493 PolarHBondContact O-N 3.1Å; Q491-A494 WeakPolarHBondContact O-CB 3.29Å; Q491-A494 PolarHBondContact O-N 2.03Å; Q491-E495 PolarHBondContact NE2-OE1 2.79Å; Q491-E495 WeakPolarHBondContact O-CG 3.48Å; Q491-E495 PolarHBondContact O-N 3.03Å
492	L	98.6	Very high	95.8	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.5	-179	62.6	0	0	0	111	E437 I441 T449 F474 H488 Y489 A494 E495 I496	E437-L492 HydrophobicContact CG-CD2 4.24Å; I441-L492 HydrophobicContact CD1-CD1 4.05Å; I441-L492 HydrophobicContact CD1-CD2 3.95Å; I441-L492 HydrophobicContact CD1-CG 4.49Å; I441-L492 HydrophobicContact CG2-CD1 4.28Å; T449-L492 HydrophobicContact CG2-CD1 4.11Å; F474-L492 HydrophobicContact CD1-CD2 4.25Å; F474-L492 HydrophobicContact CD2-CD2 3.73Å; F474-L492 HydrophobicContact CD2-CG 3.71Å; F474-L492 HydrophobicContact CE1-CD2 4.3Å; F474-L492 HydrophobicContact CE2-CD2 3.77Å; F474-L492 HydrophobicContact CE2-CG 3.99Å; F474-L492 HydrophobicContact CG-CD2 3.99Å; F474-L492 HydrophobicContact CG-CG 4.27Å; F474-L492 HydrophobicContact CZ-CD2 4.08Å; H488-L492 WeakPolarHBondContact O-CB 2.96Å; H488-L492 PolarHBondContact O-N 3.4Å; Y489-L492 HydrophobicContact CD1-CD2 4.33Å; Y489-L492 PolarHBondContact O-N 3.44Å; L492-A494 VanDerWaalsContact C-N 3.31Å; L492-A494 PolarHBondContact O-N 3.18Å; L492-E495 PolarHBondContact O-N 3.3Å; L492-I496 HydrophobicContact CD1-CG1 4.41Å; L492-I496 WeakPolarHBondContact O-CG1 3.46Å; L492-I496 PolarHBondContact O-N 2.99Å
493	G	98.7	Very high	96.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.3	-45.1	172.1	0	0	0	0	0	112.3	G471 Y489 L490 Q491 I496 A497 M547	G471-G493 VanDerWaalsContact O-CA 3.32Å; G471-G493 WeakPolarHBondContact O-CA 3.19Å; Y489-G493 PolarHBondContact O-N 3.09Å; L490-G493 PolarHBondContact O-N 2.95Å; Q491-G493 VanDerWaalsContact C-N 3.34Å; Q491-G493 PolarHBondContact O-N 3.1Å; G493-I496 PolarHBondContact O-N 2.92Å; G493-A497 VanDerWaalsContact O-CB 3.28Å; G493-A497 WeakPolarHBondContact O-CB 3.27Å; G493-A497 PolarHBondContact O-N 2.8Å; G493-M547 VanDerWaalsContact C-SD 3.6Å
494	A	98.9	Very high	97.2	Very high	18 Å²	18	35.8 Å²	35.8	15%	0.149	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-39.4	176.1	0	0	0	0	0	113.6	L490 Q491 L492 H498 M547	L490-A494 PolarHBondContact O-N 3.02Å; Q491-A494 WeakPolarHBondContact O-CB 3.29Å; Q491-A494 PolarHBondContact O-N 2.03Å; L492-A494 VanDerWaalsContact C-N 3.31Å; L492-A494 PolarHBondContact O-N 3.18Å; A494-H498 WeakPolarHBondContact O-CB 3.41Å; A494-H498 PolarHBondContact O-N 3.5Å; A494-M547 HydrophobicContact CB-CE 3.78Å
495	E	98.8	Very high	98	Very high	48 Å²	48	31.8 Å²	31.8	22%	0.224	18%	0.175	C	C	.	.	H	α-helix	trans	-71	-36	177.8	-68	-168.9	164.9	0	0	113.1	K443 T449 Q491 L492 T499	K443-E495 WeakPolarHBondContact CE-OE2 3.28Å; K443-E495 IonicContact NZ-OE1 3.45Å; K443-E495 PolarHBondContact NZ-OE1 2.84Å; K443-E495 IonicContact NZ-OE2 3.72Å; K443-E495 PolarHBondContact NZ-OE2 3.16Å; T449-E495 WeakPolarHBondContact CB-OE2 3.48Å; T449-E495 HydrophobicContact CG2-CB 4.48Å; T449-E495 PolarHBondContact OG1-OE2 3.33Å; Q491-E495 PolarHBondContact NE2-OE1 2.79Å; Q491-E495 WeakPolarHBondContact O-CG 3.48Å; Q491-E495 PolarHBondContact O-N 3.03Å; L492-E495 PolarHBondContact O-N 3.3Å; E495-T499 WeakPolarHBondContact O-CB 2.98Å; E495-T499 PolarHBondContact O-N 3.33Å; E495-T499 VanDerWaalsContact O-N 3.07Å; E495-T499 PolarHBondContact O-OG1 2.96Å
496	I	98.9	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-47.2	171.4	-65.5	-54.5	0	0	0	110.2	T449 I451 M463 F474 L492 G493 H498 T499 C500	T449-I496 HydrophobicContact CG2-CD1 4.19Å; T449-I496 WeakPolarHBondContact O-CD1 3.3Å; I451-I496 HydrophobicContact CD1-CD1 3.99Å; I451-I496 HydrophobicContact CD1-CG1 4.37Å; I451-I496 HydrophobicContact CG1-CD1 3.64Å; M463-I496 HydrophobicContact CE-CG2 4.11Å; F474-I496 HydrophobicContact CD2-CG1 4.28Å; F474-I496 HydrophobicContact CE2-CG1 4.15Å; L492-I496 HydrophobicContact CD1-CG1 4.41Å; L492-I496 WeakPolarHBondContact O-CG1 3.46Å; L492-I496 PolarHBondContact O-N 2.99Å; G493-I496 PolarHBondContact O-N 2.92Å; I496-H498 VanDerWaalsContact C-N 3.3Å; I496-H498 PolarHBondContact O-N 2.87Å; I496-T499 PolarHBondContact O-N 3.33Å; I496-T499 VanDerWaalsContact O-N 3.1Å; I496-C500 WeakPolarHBondContact O-CB 3.5Å; I496-C500 PolarHBondContact O-N 3.39Å; I496-C500 PolarHBondContact O-SG 3.43Å; I496-C500 VanDerWaalsContact O-SG 3.39Å
497	A	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-42.7	177.3	0	0	0	0	0	112.2	G493 C500 H501 T543 M547 Y556	G493-A497 VanDerWaalsContact O-CB 3.28Å; G493-A497 WeakPolarHBondContact O-CB 3.27Å; G493-A497 PolarHBondContact O-N 2.8Å; A497-C500 PolarHBondContact O-N 2.93Å; A497-H501 WeakPolarHBondContact O-CB 3.12Å; A497-H501 PolarHBondContact O-N 2.84Å; A497-T543 HydrophobicContact CB-CG2 3.48Å; A497-T543 VanDerWaalsContact CB-CG2 3.48Å; A497-M547 HydrophobicContact CB-CG 4.05Å; A497-Y556 HydrophobicContact CB-CE1 3.84Å
498	H	98.9	Very high	98.5	Very high	76 Å²	76	33.7 Å²	33.7	35%	0.352	17%	0.165	S	C	.	.	H	α-helix	trans	-62.8	-44.3	174.2	179.6	-90.7	0	0	0	112.3	L448 A494 I496 C500 H501 E502 W559	L448-H498 WeakPolarHBondContact CD2-ND1 3.49Å; A494-H498 WeakPolarHBondContact O-CB 3.41Å; A494-H498 PolarHBondContact O-N 3.5Å; I496-H498 VanDerWaalsContact C-N 3.3Å; I496-H498 PolarHBondContact O-N 2.87Å; H498-C500 VanDerWaalsContact C-N 3.29Å; H498-C500 PolarHBondContact O-N 3.19Å; H498-H501 WeakPolarHBondContact O-CB 3.32Å; H498-H501 PolarHBondContact O-N 3.48Å; H498-E502 IonicContact CE1-OE1 2.69Å; H498-E502 WeakPolarHBondContact O-CG 3.24Å; H498-E502 PolarHBondContact O-N 3.03Å; H498-W559 HydrophobicContact CB-CH2 4.3Å
499	T	98.8	Very high	98.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-67.1	-31	179.3	-59.6	0	0	0	0	112.6	L448 T449 F450 E495 I496 S503 F518	L448-T499 HydrophobicContact CB-CG2 4.01Å; L448-T499 HydrophobicContact CD1-CG2 4.37Å; T449-T499 PolarHBondContact N-OG1 2.69Å; T449-T499 VanDerWaalsContact O-CB 3.27Å; T449-T499 WeakPolarHBondContact O-CB 3.28Å; T449-T499 WeakPolarHBondContact O-CG2 3.32Å; T449-T499 PolarHBondContact O-OG1 3.5Å; F450-T499 HydrophobicContact CB-CG2 4.3Å; E495-T499 WeakPolarHBondContact O-CB 2.98Å; E495-T499 PolarHBondContact O-N 3.33Å; E495-T499 VanDerWaalsContact O-N 3.07Å; E495-T499 PolarHBondContact O-OG1 2.96Å; I496-T499 PolarHBondContact O-N 3.33Å; I496-T499 VanDerWaalsContact O-N 3.1Å; T499-S503 PolarHBondContact O-N 3.43Å; T499-F518 HydrophobicContact CG2-CE1 3.77Å; T499-F518 HydrophobicContact CG2-CZ 3.59Å
500	C	98.9	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-75.8	-35.4	172.2	-69.2	0	0	0	0	112.9	C468 I496 A497 H498 S503 Y504 V540	C468-C500 VanDerWaalsContact CA-SG 3.5Å; C468-C500 HydrophobicContact CB-CB 3.84Å; C468-C500 WeakPolarHBondContact CB-SG 3.19Å; C468-C500 WeakPolarHBondContact SG-CB 3.03Å; C468-C500 CovalentContact SG-SG 2.03Å; C468-C500 PolarHBondContact SG-SG 3.17Å; I496-C500 WeakPolarHBondContact O-CB 3.5Å; I496-C500 PolarHBondContact O-N 3.39Å; I496-C500 PolarHBondContact O-SG 3.43Å; I496-C500 VanDerWaalsContact O-SG 3.39Å; A497-C500 PolarHBondContact O-N 2.93Å; H498-C500 VanDerWaalsContact C-N 3.29Å; H498-C500 PolarHBondContact O-N 3.19Å; C500-S503 PolarHBondContact O-N 2.7Å; C500-S503 PolarHBondContact O-OG 2.93Å; C500-Y504 PolarHBondContact O-N 2.91Å; C500-V540 HydrophobicContact CB-CG1 4.28Å; C500-V540 HydrophobicContact CB-CG2 3.98Å
501	H	98.9	Very high	98.6	Very high	21 Å²	21	31.1 Å²	31.1	10%	0.097	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-44.5	169.1	176.5	71.1	0	0	0	111.7	A497 H498 S503 Y504 D505 Y544 W559 E562	A497-H501 WeakPolarHBondContact O-CB 3.12Å; A497-H501 PolarHBondContact O-N 2.84Å; H498-H501 WeakPolarHBondContact O-CB 3.32Å; H498-H501 PolarHBondContact O-N 3.48Å; H501-S503 PolarHBondContact O-N 2.93Å; H501-Y504 WeakPolarHBondContact O-CA 3.41Å; H501-Y504 WeakPolarHBondContact O-CB 3.16Å; H501-Y504 PolarHBondContact O-N 2.79Å; H501-D505 PolarHBondContact O-N 3.41Å; H501-Y544 VanDerWaalsContact CA-OH 3.28Å; H501-Y544 WeakPolarHBondContact CA-OH 3.34Å; H501-Y544 HydrophobicContact CB-CE1 4.29Å; H501-Y544 WeakPolarHBondContact CB-OH 3.39Å; H501-Y544 PolarHBondContact ND1-OH 2.88Å; H501-W559 HydrophobicContact CB-CD2 4.05Å; H501-W559 HydrophobicContact CB-CE3 3.92Å; H501-W559 HydrophobicContact CB-CH2 4.37Å; H501-W559 HydrophobicContact CB-CZ2 4.49Å; H501-W559 HydrophobicContact CB-CZ3 4.08Å; H501-W559 AromaticContact CD2-CE2 3.65Å; H501-W559 AromaticContact CD2-CZ2 3.93Å; H501-W559 AromaticContact CD2-NE1 3.67Å; H501-W559 AromaticContact CE1-CD1 3.15Å; H501-W559 AromaticContact CE1-CG 3.55Å; H501-W559 AromaticContact CE1-NE1 3.43Å; H501-W559 PolarHBondContact CE1-NE1 2.91Å; H501-W559 AromaticContact CG-CD2 3.62Å; H501-W559 AromaticContact CG-CE2 3.68Å; H501-W559 AromaticContact CG-CG 3.85Å; H501-W559 AromaticContact CG-NE1 3.9Å; H501-W559 AromaticContact ND1-CD1 3.42Å; H501-W559 AromaticContact ND1-CD2 3.61Å; H501-W559 AromaticContact ND1-CE2 3.9Å; H501-W559 AromaticContact ND1-CG 3.3Å; H501-W559 VanDerWaalsContact ND1-CG 3.3Å; H501-W559 AromaticContact ND1-NE1 3.76Å; H501-W559 AromaticContact NE2-CD1 3.6Å; H501-W559 AromaticContact NE2-CE2 3.86Å; H501-W559 AromaticContact NE2-NE1 3.36Å; H501-W559 PolarHBondContact NE2-NE1 3.45Å; H501-E562 IonicContact CE1-OE2 2.88Å; H501-E562 PolarHBondContact CE1-OE2 3.06Å
502	E	98.7	Very high	98.6	Very high	42 Å²	42	26 Å²	26	20%	0.196	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-30	175.4	-73.8	-77.9	155.7	0	0	112.8	L448 H498 Y504 R506 A524	L448-E502 HydrophobicContact CD1-CB 4.06Å; L448-E502 HydrophobicContact CD1-CG 4.28Å; L448-E502 HydrophobicContact CD2-CG 4.01Å; H498-E502 IonicContact CE1-OE1 2.69Å; H498-E502 WeakPolarHBondContact O-CG 3.24Å; H498-E502 PolarHBondContact O-N 3.03Å; E502-Y504 VanDerWaalsContact C-N 3.34Å; E502-R506 VanDerWaalsContact O-CB 3.31Å; E502-R506 WeakPolarHBondContact O-CB 3.46Å; E502-R506 VanDerWaalsContact O-CD 3.28Å; E502-R506 WeakPolarHBondContact O-CD 3.24Å; E502-R506 WeakPolarHBondContact O-CG 3.49Å; E502-R506 PolarHBondContact O-N 3.08Å; E502-R506 VanDerWaalsContact O-N 3.11Å; E502-R506 IonicContact OE2-CZ 2.8Å; E502-R506 IonicContact OE2-NE 2.57Å; E502-R506 PolarHBondContact OE2-NE 2.86Å; E502-R506 IonicContact OE2-NH2 3.97Å; E502-R506 PolarHBondContact OE2-NH2 3.21Å; E502-A524 HydrophobicContact CB-CB 4.25Å
503	S	98.7	Very high	98.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-74.5	-23	174.8	88.2	0	0	0	0	113.5	T499 C500 H501 T507 P513 F516 A524	T499-S503 PolarHBondContact O-N 3.43Å; C500-S503 PolarHBondContact O-N 2.7Å; C500-S503 PolarHBondContact O-OG 2.93Å; H501-S503 PolarHBondContact O-N 2.93Å; S503-T507 WeakPolarHBondContact O-CG2 3.3Å; S503-P513 WeakPolarHBondContact O-CD 3.27Å; S503-F516 WeakPolarHBondContact OG-CE1 3.4Å; S503-A524 WeakPolarHBondContact CA-O 3.45Å
504	Y	98.8	Very high	98.6	Very high	6 Å²	6	26.9 Å²	26.9	2%	0.024	13%	0.13	C	C	.	.	H	α-helix	trans	-76.7	-52.4	165.7	-85.6	-128.5	0	0	0	110.7	H465 C500 H501 E502 R506 T507 K510 L511 G512 Y534 V540 A563	H465-Y504 AromaticContact NE2-CE2 3.39Å; H465-Y504 WeakPolarHBondContact NE2-CE2 3.5Å; H465-Y504 AromaticContact NE2-CZ 3.68Å; H465-Y504 PolarHBondContact NE2-OH 3.03Å; C500-Y504 PolarHBondContact O-N 2.91Å; H501-Y504 WeakPolarHBondContact O-CA 3.41Å; H501-Y504 WeakPolarHBondContact O-CB 3.16Å; H501-Y504 PolarHBondContact O-N 2.79Å; E502-Y504 VanDerWaalsContact C-N 3.34Å; Y504-R506 VanDerWaalsContact C-N 3.32Å; Y504-R506 PolarHBondContact O-N 3.02Å; Y504-T507 WeakPolarHBondContact O-CB 3.24Å; Y504-T507 PolarHBondContact O-N 3.13Å; Y504-T507 PolarHBondContact O-OG1 3.47Å; Y504-K510 WeakPolarHBondContact CD1-O 3.4Å; Y504-K510 WeakPolarHBondContact O-CA 3.32Å; Y504-L511 HydrophobicContact CE1-CD2 4.25Å; Y504-G512 VanDerWaalsContact CE2-N 3.27Å; Y504-G512 VanDerWaalsContact CG-N 3.34Å; Y504-Y534 WeakPolarHBondContact OH-CE2 3.38Å; Y504-V540 HydrophobicContact CD2-CG1 4.16Å; Y504-V540 HydrophobicContact CD2-CG2 4.31Å; Y504-V540 HydrophobicContact CE2-CB 3.79Å; Y504-V540 HydrophobicContact CE2-CG1 3.81Å; Y504-V540 HydrophobicContact CE2-CG2 3.59Å; Y504-A563 HydrophobicContact CD1-CB 4.27Å; Y504-A563 HydrophobicContact CE1-CB 3.93Å
505	D	98.5	Very high	98.6	Very high	67 Å²	67	26.2 Å²	26.2	36%	0.358	13%	0.125	S	C	.	.	H	α-helix	trans	-63.2	-37	-170.5	-167.7	75.3	0	0	0	112.8	H501 T507 K510	H501-D505 PolarHBondContact O-N 3.41Å; D505-T507 PolarHBondContact O-N 2.63Å; D505-K510 WeakPolarHBondContact O-CD 3.39Å; D505-K510 PolarHBondContact O-NZ 3.43Å; D505-K510 IonicContact OD1-NZ 3Å; D505-K510 PolarHBondContact OD1-NZ 3.3Å; D505-K510 IonicContact OD2-NZ 2.74Å; D505-K510 PolarHBondContact OD2-NZ 3.27Å
506	R	97.9	Very high	98.5	Very high	94 Å²	94	24 Å²	24	36%	0.355	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	8.7	179.6	-65.8	168.8	-171.4	-149.3	-4.7	114.5	E502 Y504 E523 V525 Y584	E502-R506 VanDerWaalsContact O-CB 3.31Å; E502-R506 WeakPolarHBondContact O-CB 3.46Å; E502-R506 VanDerWaalsContact O-CD 3.28Å; E502-R506 WeakPolarHBondContact O-CD 3.24Å; E502-R506 WeakPolarHBondContact O-CG 3.49Å; E502-R506 PolarHBondContact O-N 3.08Å; E502-R506 VanDerWaalsContact O-N 3.11Å; E502-R506 IonicContact OE2-CZ 2.8Å; E502-R506 IonicContact OE2-NE 2.57Å; E502-R506 PolarHBondContact OE2-NE 2.86Å; E502-R506 IonicContact OE2-NH2 3.97Å; E502-R506 PolarHBondContact OE2-NH2 3.21Å; Y504-R506 VanDerWaalsContact C-N 3.32Å; Y504-R506 PolarHBondContact O-N 3.02Å; R506-E523 WeakPolarHBondContact CD-O 3.45Å; R506-E523 PolarHBondContact NH1-O 3.46Å; R506-V525 HydrophobicContact CB-CG1 3.85Å; R506-Y584 WeakPolarHBondContact O-CE1 3.46Å
507	T	98.5	Very high	98.4	Very high	8 Å²	8	25.3 Å²	25.3	5%	0.049	12%	0.121	C	C	.	.	S	Bend	trans	-109.3	159.1	-179.7	73.1	0	0	0	0	111.4	S503 Y504 D505 K510 L511 V583 Y584	S503-T507 WeakPolarHBondContact O-CG2 3.3Å; Y504-T507 WeakPolarHBondContact O-CB 3.24Å; Y504-T507 PolarHBondContact O-N 3.13Å; Y504-T507 PolarHBondContact O-OG1 3.47Å; D505-T507 PolarHBondContact O-N 2.63Å; T507-K510 WeakPolarHBondContact OG1-CA 3.35Å; T507-K510 PolarHBondContact OG1-N 2.67Å; T507-L511 WeakPolarHBondContact CG2-O 3.44Å; T507-L511 PolarHBondContact OG1-N 2.91Å; T507-L511 PolarHBondContact OG1-O 3.12Å; T507-V583 HydrophobicContact CG2-CB 4.28Å; T507-V583 HydrophobicContact CG2-CG2 3.6Å; T507-Y584 HydrophobicContact CG2-CD1 4.48Å; T507-Y584 HydrophobicContact CG2-CE1 3.79Å; T507-Y584 HydrophobicContact CG2-CE2 4.48Å
508	V	98.2	Very high	98.2	Very high	71 Å²	71	25.4 Å²	25.4	43%	0.43	12%	0.121	S	C	.	.	S	Bend	trans	-75.4	-28.9	-179.5	176	0	0	0	0	111.5	V583 Y584	V508-V583 PolarHBondContact N-O 3.04Å; V508-Y584 WeakPolarHBondContact CG2-O 3.39Å
509	L	98.3	Very high	97.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-90.4	-8.5	178.7	-57.6	-172.3	0	0	0	114.1	L511 A566 Y570 V580 V583 S585 P588	L509-L511 VanDerWaalsContact C-N 3.31Å; L509-L511 HydrophobicContact CB-CB 4.41Å; L509-L511 HydrophobicContact CB-CD1 4.23Å; L509-L511 HydrophobicContact CB-CG 4.33Å; L509-A566 WeakPolarHBondContact O-CB 3.37Å; L509-Y570 HydrophobicContact CB-CD2 4.02Å; L509-Y570 HydrophobicContact CB-CE2 4.32Å; L509-Y570 HydrophobicContact CB-CG 4.33Å; L509-Y570 HydrophobicContact CD2-CD1 3.64Å; L509-Y570 HydrophobicContact CD2-CD2 4.12Å; L509-Y570 HydrophobicContact CD2-CE1 3.68Å; L509-Y570 HydrophobicContact CD2-CE2 4.19Å; L509-Y570 HydrophobicContact CD2-CG 3.84Å; L509-Y570 VanDerWaalsContact O-CD2 3.26Å; L509-Y570 WeakPolarHBondContact O-CD2 3.3Å; L509-Y570 WeakPolarHBondContact O-CE2 3.5Å; L509-V580 HydrophobicContact CD1-CB 4.33Å; L509-V580 HydrophobicContact CD1-CG2 3.91Å; L509-V583 PolarHBondContact N-O 3Å; L509-V583 VanDerWaalsContact N-O 3.11Å; L509-S585 VanDerWaalsContact CD2-O 3.29Å; L509-S585 WeakPolarHBondContact CD2-O 3.33Å; L509-P588 HydrophobicContact CD1-CB 3.97Å
510	K	98.5	Very high	96.4	Very high	84 Å²	84	30.2 Å²	30.2	37%	0.365	16%	0.158	S	C	.	.	S	Bend	trans	57.4	41.8	-168.8	-56.6	-66.4	-179	174.8	0	112.6	Y504 D505 T507 A566	Y504-K510 WeakPolarHBondContact CD1-O 3.4Å; Y504-K510 WeakPolarHBondContact O-CA 3.32Å; D505-K510 WeakPolarHBondContact O-CD 3.39Å; D505-K510 PolarHBondContact O-NZ 3.43Å; D505-K510 IonicContact OD1-NZ 3Å; D505-K510 PolarHBondContact OD1-NZ 3.3Å; D505-K510 IonicContact OD2-NZ 2.74Å; D505-K510 PolarHBondContact OD2-NZ 3.27Å; T507-K510 WeakPolarHBondContact OG1-CA 3.35Å; T507-K510 PolarHBondContact OG1-N 2.67Å; K510-A566 HydrophobicContact CB-CB 4.19Å; K510-A566 WeakPolarHBondContact O-CB 3.26Å
511	L	98.7	Very high	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.			trans	-135.5	129.6	178.5	-64.7	173.1	0	0	0	108.9	Y504 T507 L509 Y534 A566 I567 V580 V583	Y504-L511 HydrophobicContact CE1-CD2 4.25Å; T507-L511 WeakPolarHBondContact CG2-O 3.44Å; T507-L511 PolarHBondContact OG1-N 2.91Å; T507-L511 PolarHBondContact OG1-O 3.12Å; L509-L511 VanDerWaalsContact C-N 3.31Å; L509-L511 HydrophobicContact CB-CB 4.41Å; L509-L511 HydrophobicContact CB-CD1 4.23Å; L509-L511 HydrophobicContact CB-CG 4.33Å; L511-Y534 HydrophobicContact CB-CD1 4.15Å; L511-Y534 HydrophobicContact CB-CG 4.12Å; L511-Y534 HydrophobicContact CD1-CD1 3.86Å; L511-Y534 HydrophobicContact CD1-CE1 4.1Å; L511-Y534 HydrophobicContact CD2-CD1 4.32Å; L511-Y534 HydrophobicContact CD2-CE1 3.89Å; L511-Y534 HydrophobicContact CG-CD1 4.33Å; L511-Y534 HydrophobicContact CG-CE1 4.4Å; L511-A566 HydrophobicContact CD2-CB 3.62Å; L511-A566 HydrophobicContact CG-CB 3.91Å; L511-I567 HydrophobicContact CD2-CG1 3.86Å; L511-V580 HydrophobicContact CD1-CG2 4.41Å; L511-V583 HydrophobicContact CB-CG1 4.09Å; L511-V583 VanDerWaalsContact O-CB 3.3Å; L511-V583 WeakPolarHBondContact O-CB 3.27Å; L511-V583 WeakPolarHBondContact O-CG1 3.16Å; L511-V583 WeakPolarHBondContact O-CG2 3.25Å
512	G	98.4	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.21	C	C	.	.			trans	-67.7	143.2	-175.1	0	0	0	0	0	113.6	Y504 Y534	Y504-G512 VanDerWaalsContact CE2-N 3.27Å; Y504-G512 VanDerWaalsContact CG-N 3.34Å; G512-Y534 WeakPolarHBondContact O-CB 3.45Å; G512-Y534 WeakPolarHBondContact O-CD2 3.13Å
513	P	98.6	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.			trans	-78.4	153.1	172.9	34.1	-35.6	0	0	0	111.7	S503 A515 F516 A526 E531 Y533 V583 Y584	S503-P513 WeakPolarHBondContact O-CD 3.27Å; P513-A515 PolarHBondContact O-N 3.08Å; P513-F516 HydrophobicContact CG-CB 4.3Å; P513-F516 HydrophobicContact CG-CD1 4.2Å; P513-A526 HydrophobicContact CB-CB 3.67Å; P513-A526 HydrophobicContact CG-CB 3.82Å; P513-E531 WeakPolarHBondContact CB-O 3.48Å; P513-Y533 CarbonylContact C-O 3.6Å; P513-Y533 WeakPolarHBondContact CA-O 3.37Å; P513-V583 HydrophobicContact CB-CG2 3.97Å; P513-Y584 HydrophobicContact CB-CE2 4.45Å
514	E	98.4	Very high	94.4	Very high	28 Å²	28	35.8 Å²	35.8	13%	0.131	21%	0.206	C	C	.	.	S	Bend	trans	-48.7	-34.2	176.8	-172.7	74.4	178.2	0	0	113.4	G464 H465 E531 Y533 R537	G464-E514 CarbonylContact C-O 3.39Å; G464-E514 WeakPolarHBondContact CA-O 3.13Å; H465-E514 PolarHBondContact N-O 3.44Å; E514-E531 PolarHBondContact N-O 3.32Å; E514-Y533 HydrophobicContact CB-CD1 4.45Å; E514-Y533 HydrophobicContact CB-CD2 3.89Å; E514-Y533 HydrophobicContact CB-CE1 4.18Å; E514-Y533 HydrophobicContact CB-CE2 3.6Å; E514-Y533 HydrophobicContact CB-CG 4.34Å; E514-Y533 VanDerWaalsContact CD-CE2 3.43Å; E514-Y533 HydrophobicContact CG-CD2 4.37Å; E514-Y533 HydrophobicContact CG-CE1 4.24Å; E514-Y533 HydrophobicContact CG-CE2 3.57Å; E514-Y533 WeakPolarHBondContact CG-OH 3.43Å; E514-Y533 PolarHBondContact N-O 3.37Å; E514-Y533 WeakPolarHBondContact OE2-CE2 3.5Å; E514-R537 IonicContact OE1-CZ 2.66Å; E514-R537 IonicContact OE1-NE 2.84Å; E514-R537 PolarHBondContact OE1-NE 2.85Å; E514-R537 IonicContact OE1-NH2 3.89Å; E514-R537 PolarHBondContact OE1-NH2 3.4Å; E514-R537 WeakPolarHBondContact OE2-CD 3.45Å; E514-R537 IonicContact OE2-CZ 3.89Å; E514-R537 IonicContact OE2-NE 3.75Å; E514-R537 PolarHBondContact OE2-NE 2.85Å; E514-R537 IonicContact OE2-NH2 2.87Å
515	A	97.9	Very high	94.3	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	148.4	168.1	0	0	0	0	0	114.6	K462 M463 P513 A526 E531	K462-A515 HydrophobicContact CD-CB 4.44Å; K462-A515 HydrophobicContact CG-CB 4.4Å; M463-A515 CarbonylContact O-C 3.51Å; M463-A515 WeakPolarHBondContact O-CA 3.3Å; M463-A515 WeakPolarHBondContact O-CB 3.41Å; P513-A515 PolarHBondContact O-N 3.08Å; A515-A526 WeakPolarHBondContact O-CA 3.37Å; A515-A526 WeakPolarHBondContact O-CB 3.14Å; A515-E531 HydrophobicContact CB-CB 4.44Å; A515-E531 PolarHBondContact N-O 2.81Å
516	F	97.4	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.8	-174.6	42.4	-88	0	0	0	112.2	K462 M463 S503 P513 F518 V525	K462-F516 WeakPolarHBondContact CA-O 3.44Å; M463-F516 HydrophobicContact CB-CD2 4.1Å; M463-F516 HydrophobicContact CB-CE2 3.68Å; M463-F516 HydrophobicContact CB-CZ 4.19Å; M463-F516 HydrophobicContact CG-CE2 3.88Å; M463-F516 HydrophobicContact CG-CZ 4.01Å; M463-F516 PolarHBondContact N-O 3.1Å; M463-F516 PolarHBondContact O-N 3.02Å; M463-F516 HydrophobicContact SD-CE2 4Å; M463-F516 HydrophobicContact SD-CZ 4.32Å; S503-F516 WeakPolarHBondContact OG-CE1 3.4Å; P513-F516 HydrophobicContact CG-CB 4.3Å; P513-F516 HydrophobicContact CG-CD1 4.2Å; F516-F518 AromaticContact CD2-CE2 3.63Å; F516-F518 HydrophobicContact CD2-CE2 3.63Å; F516-F518 AromaticContact CD2-CZ 3.59Å; F516-F518 HydrophobicContact CD2-CZ 3.59Å; F516-F518 AromaticContact CE2-CE2 3.96Å; F516-F518 HydrophobicContact CE2-CE2 3.96Å; F516-F518 AromaticContact CE2-CZ 3.78Å; F516-F518 HydrophobicContact CE2-CZ 3.78Å; F516-V525 WeakPolarHBondContact CA-O 3.38Å
517	K	96.4	Very high	93.9	Very high	29 Å²	29	33.2 Å²	33.2	13%	0.126	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	161	-171.5	-81.8	177.1	143.5	-72.7	0	113.5	R461 K462 D519 L522 E523 A524 V525 V527	R461-K517 WeakPolarHBondContact O-CA 3.19Å; K462-K517 HydrophobicContact CB-CG 4.22Å; K462-K517 HydrophobicContact CG-CG 4.35Å; K517-D519 WeakPolarHBondContact CD-OD2 3.23Å; K517-D519 IonicContact NZ-OD1 2.8Å; K517-D519 IonicContact NZ-OD2 3.67Å; K517-D519 PolarHBondContact NZ-OD2 3.08Å; K517-L522 CarbonylContact C-O 3.57Å; K517-E523 CarbonylContact O-C 3.5Å; K517-E523 VanDerWaalsContact O-CA 3.24Å; K517-E523 WeakPolarHBondContact O-CA 3.37Å; K517-A524 PolarHBondContact O-N 3.02Å; K517-V525 PolarHBondContact N-O 2.78Å; K517-V527 HydrophobicContact CB-CG2 4.3Å; K517-V527 HydrophobicContact CD-CB 4.14Å; K517-V527 HydrophobicContact CD-CG2 3.72Å; K517-V527 HydrophobicContact CG-CG2 4.49Å
518	F	95.4	Very high	93.7	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	44.5	-179.7	-58.7	-86.7	0	0	0	111.1	L448 F450 R461 M463 T499 F516 L522 E523 A524	L448-F518 HydrophobicContact CB-CE1 4.28Å; L448-F518 HydrophobicContact CD1-CE1 4.26Å; F450-F518 HydrophobicContact CB-CD1 4.23Å; F450-F518 HydrophobicContact CB-CD2 3.66Å; F450-F518 HydrophobicContact CB-CE1 3.94Å; F450-F518 HydrophobicContact CB-CE2 3.34Å; F450-F518 HydrophobicContact CB-CG 4.1Å; F450-F518 HydrophobicContact CB-CZ 3.49Å; F450-F518 VanDerWaalsContact CB-CZ 3.49Å; F450-F518 HydrophobicContact CD1-CB 3.82Å; F450-F518 AromaticContact CD1-CD1 3.83Å; F450-F518 HydrophobicContact CD1-CD1 3.83Å; F450-F518 AromaticContact CD1-CD2 3.81Å; F450-F518 HydrophobicContact CD1-CD2 3.81Å; F450-F518 HydrophobicContact CD1-CE1 4.35Å; F450-F518 HydrophobicContact CD1-CE2 4.35Å; F450-F518 AromaticContact CD1-CG 3.52Å; F450-F518 HydrophobicContact CD1-CG 3.52Å; F450-F518 HydrophobicContact CD2-CB 4.49Å; F450-F518 AromaticContact CD2-CD2 3.56Å; F450-F518 HydrophobicContact CD2-CD2 3.56Å; F450-F518 HydrophobicContact CD2-CE2 4.02Å; F450-F518 HydrophobicContact CD2-CG 4.11Å; F450-F518 HydrophobicContact CE1-CB 3.68Å; F450-F518 HydrophobicContact CE1-CD1 4.49Å; F450-F518 HydrophobicContact CE1-CD2 4.36Å; F450-F518 AromaticContact CE1-CG 3.93Å; F450-F518 HydrophobicContact CE1-CG 3.93Å; F450-F518 HydrophobicContact CE2-CB 4.38Å; F450-F518 HydrophobicContact CE2-CD2 4.17Å; F450-F518 HydrophobicContact CE2-CG 4.49Å; F450-F518 HydrophobicContact CG-CB 4.24Å; F450-F518 HydrophobicContact CG-CD1 4.11Å; F450-F518 AromaticContact CG-CD2 3.37Å; F450-F518 HydrophobicContact CG-CD2 3.37Å; F450-F518 HydrophobicContact CG-CE1 4.32Å; F450-F518 AromaticContact CG-CE2 3.65Å; F450-F518 HydrophobicContact CG-CE2 3.65Å; F450-F518 AromaticContact CG-CG 3.62Å; F450-F518 HydrophobicContact CG-CG 3.62Å; F450-F518 HydrophobicContact CG-CZ 4.12Å; F450-F518 HydrophobicContact CZ-CB 3.98Å; F450-F518 HydrophobicContact CZ-CG 4.4Å; R461-F518 HydrophobicContact CB-CB 4.44Å; R461-F518 PolarHBondContact NE-O 3.33Å; R461-F518 PolarHBondContact NH2-O 3.26Å; R461-F518 VanDerWaalsContact NH2-O 3.1Å; R461-F518 PolarHBondContact O-N 3.46Å; M463-F518 HydrophobicContact CB-CE2 3.88Å; T499-F518 HydrophobicContact CG2-CE1 3.77Å; T499-F518 HydrophobicContact CG2-CZ 3.59Å; F516-F518 AromaticContact CD2-CE2 3.63Å; F516-F518 HydrophobicContact CD2-CE2 3.63Å; F516-F518 AromaticContact CD2-CZ 3.59Å; F516-F518 HydrophobicContact CD2-CZ 3.59Å; F516-F518 AromaticContact CE2-CE2 3.96Å; F516-F518 HydrophobicContact CE2-CE2 3.96Å; F516-F518 AromaticContact CE2-CZ 3.78Å; F516-F518 HydrophobicContact CE2-CZ 3.78Å; F518-L522 CarbonylContact C-O 3.52Å; F518-L522 VanDerWaalsContact CA-O 3.27Å; F518-L522 WeakPolarHBondContact CA-O 3.39Å; F518-E523 HydrophobicContact CD1-CB 4.22Å; F518-A524 HydrophobicContact CE1-CB 4.07Å; F518-A524 HydrophobicContact CZ-CB 4.28Å
519	D	87.1	Confident	93.5	Very high	60 Å²	60	40.3 Å²	40.3	32%	0.321	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	174.9	-179.6	-66.6	-37.9	0	0	0	111.1	K517 G521 L522	K517-D519 WeakPolarHBondContact CD-OD2 3.23Å; K517-D519 IonicContact NZ-OD1 2.8Å; K517-D519 IonicContact NZ-OD2 3.67Å; K517-D519 PolarHBondContact NZ-OD2 3.08Å; D519-G521 PolarHBondContact O-N 3.35Å; D519-L522 PolarHBondContact N-O 2.91Å; D519-L522 PolarHBondContact O-N 2.95Å; D519-L522 VanDerWaalsContact O-O 3.08Å
520	S	72.7	Confident	93.4	Very high	118 Å²	118	45.6 Å²	45.6	83%	0.825	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	101.7	-175.5	-65.4	0	0	0	0	112.4
521	G	77.5	Confident	93.3	Very high	74 Å²	74	42.3 Å²	42.3	76%	0.763	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.8	3.2	-179.3	0	0	0	0	0	115.4	D519	D519-G521 PolarHBondContact O-N 3.35Å
522	L	85.6	Confident	93.3	Very high	80 Å²	80	44.1 Å²	44.1	42%	0.419	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	115	177.6	-66.8	174.5	0	0	0	110.1	K517 F518 D519 V525 V527	K517-L522 CarbonylContact C-O 3.57Å; F518-L522 CarbonylContact C-O 3.52Å; F518-L522 VanDerWaalsContact CA-O 3.27Å; F518-L522 WeakPolarHBondContact CA-O 3.39Å; D519-L522 PolarHBondContact N-O 2.91Å; D519-L522 PolarHBondContact O-N 2.95Å; D519-L522 VanDerWaalsContact O-O 3.08Å; L522-V525 HydrophobicContact CB-CG2 4.1Å; L522-V525 HydrophobicContact CD2-CG2 4.03Å; L522-V527 HydrophobicContact CD1-CG2 3.91Å
523	E	93.6	Very high	93.3	Very high	26 Å²	26	47.8 Å²	47.8	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.4	-176	-63.3	-171.8	178.1	0	0	111.1	S444 N445 G446 R506 K517 F518 V525	S444-E523 VanDerWaalsContact CB-OE1 3.28Å; S444-E523 WeakPolarHBondContact CB-OE1 3.14Å; S444-E523 VanDerWaalsContact CB-OE2 3.24Å; S444-E523 WeakPolarHBondContact CB-OE2 3.3Å; S444-E523 PolarHBondContact OG-OE1 2.92Å; S444-E523 PolarHBondContact OG-OE2 3.41Å; N445-E523 WeakPolarHBondContact CA-OE1 3.27Å; N445-E523 WeakPolarHBondContact CB-OE1 3.28Å; N445-E523 PolarHBondContact N-OE1 2.61Å; G446-E523 WeakPolarHBondContact CA-OE2 3.49Å; G446-E523 PolarHBondContact N-OE1 2.85Å; G446-E523 PolarHBondContact N-OE2 3.48Å; R506-E523 WeakPolarHBondContact CD-O 3.45Å; R506-E523 PolarHBondContact NH1-O 3.46Å; K517-E523 CarbonylContact O-C 3.5Å; K517-E523 VanDerWaalsContact O-CA 3.24Å; K517-E523 WeakPolarHBondContact O-CA 3.37Å; F518-E523 HydrophobicContact CD1-CB 4.22Å; E523-V525 PolarHBondContact O-N 2.64Å
524	A	96.1	Very high	93.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.6	31.1	-177.9	0	0	0	0	0	114.3	L448 E502 S503 K517 F518	L448-A524 HydrophobicContact CD1-CB 4.02Å; E502-A524 HydrophobicContact CB-CB 4.25Å; S503-A524 WeakPolarHBondContact CA-O 3.45Å; K517-A524 PolarHBondContact O-N 3.02Å; F518-A524 HydrophobicContact CE1-CB 4.07Å; F518-A524 HydrophobicContact CZ-CB 4.28Å
525	V	96.4	Very high	93.3	Very high	26 Å²	26	47.9 Å²	47.9	16%	0.158	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.7	175.9	-66.6	0	0	0	0	113.1	R506 F516 K517 L522 E523 Y584	R506-V525 HydrophobicContact CB-CG1 3.85Å; F516-V525 WeakPolarHBondContact CA-O 3.38Å; K517-V525 PolarHBondContact N-O 2.78Å; L522-V525 HydrophobicContact CB-CG2 4.1Å; L522-V525 HydrophobicContact CD2-CG2 4.03Å; E523-V525 PolarHBondContact O-N 2.64Å; V525-Y584 WeakPolarHBondContact CA-OH 3.43Å; V525-Y584 HydrophobicContact CG1-CE1 4.3Å
526	A	96.2	Very high	93.3	Very high	11 Å²	11	47.7 Å²	47.7	9%	0.091	26%	0.264	C	S	.	.			trans	-82.8	137.6	176.8	0	0	0	0	0	112.1	P513 A515 K532 Y584	P513-A526 HydrophobicContact CB-CB 3.67Å; P513-A526 HydrophobicContact CG-CB 3.82Å; A515-A526 WeakPolarHBondContact O-CA 3.37Å; A515-A526 WeakPolarHBondContact O-CB 3.14Å; A526-K532 HydrophobicContact CB-CG 3.88Å; A526-Y584 HydrophobicContact CB-CE2 3.99Å; A526-Y584 PolarHBondContact N-OH 2.84Å
527	V	91.8	Very high	93.4	Very high	77 Å²	77	49.2 Å²	49.2	47%	0.467	27%	0.27	S	S	.	.			trans	-106.1	-39.2	-177.5	-176.1	0	0	0	0	112.3	K517 L522	K517-V527 HydrophobicContact CB-CG2 4.3Å; K517-V527 HydrophobicContact CD-CB 4.14Å; K517-V527 HydrophobicContact CD-CG2 3.72Å; K517-V527 HydrophobicContact CG-CG2 4.49Å; L522-V527 HydrophobicContact CD1-CG2 3.91Å
528	R	93.9	Very high	93.5	Very high	115 Å²	115	47.9 Å²	47.9	43%	0.434	26%	0.264	S	S	.	.	S	Bend	trans	-87.1	137.8	-179.6	-55.4	-175.4	178.5	121.2	-4.4	110.7	N530 E531	R528-N530 WeakPolarHBondContact CB-OD1 3.31Å; R528-N530 PolarHBondContact O-N 2.65Å; R528-N530 VanDerWaalsContact O-N 3.12Å; R528-E531 HydrophobicContact CB-CB 4.31Å; R528-E531 HydrophobicContact CB-CG 4.03Å; R528-E531 WeakPolarHBondContact CB-OE2 3.34Å; R528-E531 WeakPolarHBondContact CD-OE2 3.26Å; R528-E531 VanDerWaalsContact CG-OE2 3.26Å; R528-E531 WeakPolarHBondContact CG-OE2 3.48Å; R528-E531 IonicContact CZ-OE1 2.83Å; R528-E531 IonicContact NH1-OE1 2.86Å; R528-E531 PolarHBondContact NH1-OE1 3.37Å; R528-E531 IonicContact NH1-OE2 3.73Å; R528-E531 PolarHBondContact O-N 2.82Å
529	Q	94	Very high	93.7	Very high	113 Å²	113	48.5 Å²	48.5	53%	0.528	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-58.7	-29.3	-178.7	-168.5	60.4	39	0	0	113.5	E531 D582	Q529-E531 VanDerWaalsContact C-N 3.31Å; Q529-D582 PolarHBondContact NE2-OD2 3.28Å
530	N	96.1	Very high	94.2	Very high	111 Å²	111	45.7 Å²	45.7	59%	0.594	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-85.8	6.4	176.9	71.8	-67.3	0	0	0	114.3	R528 Y533	R528-N530 WeakPolarHBondContact CB-OD1 3.31Å; R528-N530 PolarHBondContact O-N 2.65Å; R528-N530 VanDerWaalsContact O-N 3.12Å; N530-Y533 WeakPolarHBondContact O-CD1 3.47Å; N530-Y533 VanDerWaalsContact O-CE1 3.25Å; N530-Y533 WeakPolarHBondContact O-CE1 3.45Å
531	E	97.1	Very high	95.5	Very high	15 Å²	15	40 Å²	40	7%	0.07	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-115.3	-3	176.1	-65.3	174.1	156.4	0	0	111.9	K462 P513 E514 A515 R528 Q529	K462-E531 WeakPolarHBondContact CE-OE1 3.44Å; K462-E531 IonicContact NZ-OE1 2.68Å; K462-E531 PolarHBondContact NZ-OE1 2.76Å; P513-E531 WeakPolarHBondContact CB-O 3.48Å; E514-E531 PolarHBondContact N-O 3.32Å; A515-E531 HydrophobicContact CB-CB 4.44Å; A515-E531 PolarHBondContact N-O 2.81Å; R528-E531 HydrophobicContact CB-CB 4.31Å; R528-E531 HydrophobicContact CB-CG 4.03Å; R528-E531 WeakPolarHBondContact CB-OE2 3.34Å; R528-E531 WeakPolarHBondContact CD-OE2 3.26Å; R528-E531 VanDerWaalsContact CG-OE2 3.26Å; R528-E531 WeakPolarHBondContact CG-OE2 3.48Å; R528-E531 IonicContact CZ-OE1 2.83Å; R528-E531 IonicContact NH1-OE1 2.86Å; R528-E531 PolarHBondContact NH1-OE1 3.37Å; R528-E531 IonicContact NH1-OE2 3.73Å; R528-E531 PolarHBondContact O-N 2.82Å; Q529-E531 VanDerWaalsContact C-N 3.31Å
532	K	98.3	Very high	96.5	Very high	38 Å²	38	37 Å²	37	17%	0.165	18%	0.178	C	C	.	.			trans	-87.1	2.1	-176.5	-67	179.7	170.7	-177.7	0	115.7	A526 D582 V583 Y584	A526-K532 HydrophobicContact CB-CG 3.88Å; K532-D582 VanDerWaalsContact CD-CG 3.49Å; K532-D582 WeakPolarHBondContact CD-OD2 3.38Å; K532-D582 IonicContact NZ-OD1 2.67Å; K532-D582 IonicContact NZ-OD2 3.39Å; K532-D582 PolarHBondContact NZ-OD2 3.01Å; K532-D582 WeakPolarHBondContact O-CA 3.48Å; K532-V583 PolarHBondContact O-N 2.98Å; K532-Y584 HydrophobicContact CB-CD2 4.34Å; K532-Y584 HydrophobicContact CB-CE2 4.46Å; K532-Y584 HydrophobicContact CD-CD2 4.01Å; K532-Y584 HydrophobicContact CG-CD2 4.01Å; K532-Y584 HydrophobicContact CG-CE2 4.08Å
533	Y	98.6	Very high	97.1	Very high	77 Å²	77	33.1 Å²	33.1	30%	0.302	16%	0.158	S	C	.	.			trans	-82.3	159.5	-176.7	64	-104.8	0	0	0	111.7	P513 E514 N530 I535 V580	P513-Y533 CarbonylContact C-O 3.6Å; P513-Y533 WeakPolarHBondContact CA-O 3.37Å; E514-Y533 HydrophobicContact CB-CD1 4.45Å; E514-Y533 HydrophobicContact CB-CD2 3.89Å; E514-Y533 HydrophobicContact CB-CE1 4.18Å; E514-Y533 HydrophobicContact CB-CE2 3.6Å; E514-Y533 HydrophobicContact CB-CG 4.34Å; E514-Y533 VanDerWaalsContact CD-CE2 3.43Å; E514-Y533 HydrophobicContact CG-CD2 4.37Å; E514-Y533 HydrophobicContact CG-CE1 4.24Å; E514-Y533 HydrophobicContact CG-CE2 3.57Å; E514-Y533 WeakPolarHBondContact CG-OH 3.43Å; E514-Y533 PolarHBondContact N-O 3.37Å; E514-Y533 WeakPolarHBondContact OE2-CE2 3.5Å; N530-Y533 WeakPolarHBondContact O-CD1 3.47Å; N530-Y533 VanDerWaalsContact O-CE1 3.25Å; N530-Y533 WeakPolarHBondContact O-CE1 3.45Å; Y533-I535 HydrophobicContact CD2-CG1 4.39Å; Y533-I535 HydrophobicContact CD2-CG2 3.74Å; Y533-I535 HydrophobicContact CE2-CD1 4.11Å; Y533-I535 HydrophobicContact CE2-CG1 4.17Å; Y533-I535 HydrophobicContact CE2-CG2 4.04Å; Y533-V580 CarbonylContact C-O 3.15Å; Y533-V580 VanDerWaalsContact CA-O 3.23Å; Y533-V580 WeakPolarHBondContact CA-O 3.34Å; Y533-V580 WeakPolarHBondContact CB-O 3.49Å
534	Y	98.8	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-132	116.2	169	172.1	-102.9	0	0	0	108.5	H465 Y504 L511 G512 L536 R537 I567 G579 V580	H465-Y534 AromaticContact NE2-CD2 3.78Å; H465-Y534 AromaticContact NE2-CE2 3.65Å; Y504-Y534 WeakPolarHBondContact OH-CE2 3.38Å; L511-Y534 HydrophobicContact CB-CD1 4.15Å; L511-Y534 HydrophobicContact CB-CG 4.12Å; L511-Y534 HydrophobicContact CD1-CD1 3.86Å; L511-Y534 HydrophobicContact CD1-CE1 4.1Å; L511-Y534 HydrophobicContact CD2-CD1 4.32Å; L511-Y534 HydrophobicContact CD2-CE1 3.89Å; L511-Y534 HydrophobicContact CG-CD1 4.33Å; L511-Y534 HydrophobicContact CG-CE1 4.4Å; G512-Y534 WeakPolarHBondContact O-CB 3.45Å; G512-Y534 WeakPolarHBondContact O-CD2 3.13Å; Y534-L536 HydrophobicContact CE1-CD2 4.1Å; Y534-R537 HydrophobicContact CE2-CB 4.41Å; Y534-R537 PolarHBondContact OH-O 3.39Å; Y534-I567 HydrophobicContact CE1-CG1 4.32Å; Y534-G579 CarbonylContact O-C 3.56Å; Y534-G579 WeakPolarHBondContact O-CA 3.35Å; Y534-V580 HydrophobicContact CD1-CG2 4.43Å; Y534-V580 PolarHBondContact N-O 3.3Å; Y534-V580 PolarHBondContact O-N 2.87Å
535	I	98.4	Very high	97.5	Very high	30 Å²	30	31.9 Å²	31.9	15%	0.154	15%	0.153	C	C	.	.			trans	-104.5	40	-176.1	55.4	173	0	0	0	112.6	Y533 R537 Q595 F597	Y533-I535 HydrophobicContact CD2-CG1 4.39Å; Y533-I535 HydrophobicContact CD2-CG2 3.74Å; Y533-I535 HydrophobicContact CE2-CD1 4.11Å; Y533-I535 HydrophobicContact CE2-CG1 4.17Å; Y533-I535 HydrophobicContact CE2-CG2 4.04Å; I535-R537 VanDerWaalsContact C-N 3.35Å; I535-R537 HydrophobicContact CG1-CG 3.97Å; I535-R537 PolarHBondContact O-N 2.97Å; I535-Q595 WeakPolarHBondContact O-CG 3.49Å; I535-F597 HydrophobicContact CD1-CZ 4.31Å; I535-F597 HydrophobicContact CG1-CZ 4.35Å; I535-F597 WeakPolarHBondContact O-CE2 3.23Å
536	L	98.7	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	67.6	26.9	177.2	-45.6	177.9	0	0	0	115.2	Y534 C571 F577 F598 T602	Y534-L536 HydrophobicContact CE1-CD2 4.1Å; L536-C571 HydrophobicContact CD2-CB 3.62Å; L536-F577 HydrophobicContact CD1-CB 4.04Å; L536-F598 HydrophobicContact CB-CB 3.95Å; L536-F598 HydrophobicContact CB-CD2 3.68Å; L536-F598 HydrophobicContact CB-CG 3.99Å; L536-F598 HydrophobicContact CD1-CB 4Å; L536-F598 HydrophobicContact CD1-CD1 4.24Å; L536-F598 HydrophobicContact CD1-CD2 4.19Å; L536-F598 HydrophobicContact CD1-CG 3.86Å; L536-F598 HydrophobicContact CG-CD2 4.36Å; L536-F598 HydrophobicContact CG-CG 4.48Å; L536-T602 PolarHBondContact O-OG1 3.21Å
537	R	98.8	Very high	97.8	Very high	32 Å²	32	30.3 Å²	30.3	12%	0.121	14%	0.141	C	C	.	.			trans	-66.4	149.2	-173.7	-77.3	-169.2	173.5	-72.4	0.3	114.8	L466 E514 Y534 I535 E539 F597	L466-R537 VanDerWaalsContact CD2-NH1 3.34Å; E514-R537 IonicContact OE1-CZ 2.66Å; E514-R537 IonicContact OE1-NE 2.84Å; E514-R537 PolarHBondContact OE1-NE 2.85Å; E514-R537 IonicContact OE1-NH2 3.89Å; E514-R537 PolarHBondContact OE1-NH2 3.4Å; E514-R537 WeakPolarHBondContact OE2-CD 3.45Å; E514-R537 IonicContact OE2-CZ 3.89Å; E514-R537 IonicContact OE2-NE 3.75Å; E514-R537 PolarHBondContact OE2-NE 2.85Å; E514-R537 IonicContact OE2-NH2 2.87Å; Y534-R537 HydrophobicContact CE2-CB 4.41Å; Y534-R537 PolarHBondContact OH-O 3.39Å; I535-R537 VanDerWaalsContact C-N 3.35Å; I535-R537 HydrophobicContact CG1-CG 3.97Å; I535-R537 PolarHBondContact O-N 2.97Å; R537-E539 WeakPolarHBondContact CB-OE2 3.47Å; R537-E539 WeakPolarHBondContact CD-OE1 3.23Å; R537-E539 WeakPolarHBondContact CD-OE2 3.49Å; R537-E539 IonicContact CZ-OE1 3.85Å; R537-E539 IonicContact NE-OE1 3.26Å; R537-E539 IonicContact NH1-OE1 3.86Å; R537-E539 PolarHBondContact NH1-OE1 2.76Å; R537-F597 HydrophobicContact CG-CE2 4.31Å
538	P	98.8	Very high	98.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	12%	0.123	C	C	.	.			trans	-93.1	-22	-176.8	35.5	-36.8	0	0	0	115.9	V540 I541 E542 E601 T602 Y605	P538-V540 PolarHBondContact O-N 3.35Å; P538-I541 CarbonylContact O-C 3.56Å; P538-I541 WeakPolarHBondContact O-CA 3.37Å; P538-I541 WeakPolarHBondContact O-CB 3.31Å; P538-I541 PolarHBondContact O-N 3.24Å; P538-E542 PolarHBondContact O-N 2.63Å; P538-E601 HydrophobicContact CB-CB 3.53Å; P538-E601 HydrophobicContact CG-CB 3.7Å; P538-E601 HydrophobicContact CG-CG 4.26Å; P538-E601 WeakPolarHBondContact CG-OE1 3.44Å; P538-T602 WeakPolarHBondContact CA-OG1 3.42Å; P538-Y605 HydrophobicContact CB-CD2 4.13Å; P538-Y605 HydrophobicContact CB-CE2 4.38Å
539	E	98.9	Very high	98.3	Very high	14 Å²	14	22.9 Å²	22.9	7%	0.065	11%	0.105	C	C	.	.	H	α-helix	trans	-68.3	-19.7	-150.3	-42.9	86.5	-175.9	0	0	114.4	H465 L466 C468 F469 R537 T543	H465-E539 IonicContact CE1-OE2 2.67Å; H465-E539 PolarHBondContact CE1-OE2 3.31Å; H465-E539 IonicContact CG-OE2 3.72Å; H465-E539 IonicContact ND1-OE2 3.47Å; H465-E539 PolarHBondContact ND1-OE2 3.16Å; L466-E539 WeakPolarHBondContact CD2-OE1 3.3Å; C468-E539 CarbonylContact C-O 3.6Å; F469-E539 HydrophobicContact CB-CB 3.95Å; F469-E539 HydrophobicContact CB-CG 4.43Å; R537-E539 WeakPolarHBondContact CB-OE2 3.47Å; R537-E539 WeakPolarHBondContact CD-OE1 3.23Å; R537-E539 WeakPolarHBondContact CD-OE2 3.49Å; R537-E539 IonicContact CZ-OE1 3.85Å; R537-E539 IonicContact NE-OE1 3.26Å; R537-E539 IonicContact NH1-OE1 3.86Å; R537-E539 PolarHBondContact NH1-OE1 2.76Å; E539-T543 PolarHBondContact O-N 3.49Å; E539-T543 PolarHBondContact O-OG1 2.59Å
540	V	98.9	Very high	98.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-74.7	-39.2	170.5	174.7	0	0	0	0	111.9	C468 C500 Y504 P538 T543 Y544	C468-V540 HydrophobicContact CB-CB 4.47Å; C468-V540 HydrophobicContact CB-CG2 3.51Å; C500-V540 HydrophobicContact CB-CG1 4.28Å; C500-V540 HydrophobicContact CB-CG2 3.98Å; Y504-V540 HydrophobicContact CD2-CG1 4.16Å; Y504-V540 HydrophobicContact CD2-CG2 4.31Å; Y504-V540 HydrophobicContact CE2-CB 3.79Å; Y504-V540 HydrophobicContact CE2-CG1 3.81Å; Y504-V540 HydrophobicContact CE2-CG2 3.59Å; P538-V540 PolarHBondContact O-N 3.35Å; V540-T543 PolarHBondContact O-N 2.72Å; V540-Y544 HydrophobicContact CG1-CE1 3.81Å; V540-Y544 HydrophobicContact CG1-CE2 3.8Å; V540-Y544 VanDerWaalsContact CG1-OH 3.3Å; V540-Y544 WeakPolarHBondContact CG1-OH 3.46Å; V540-Y544 WeakPolarHBondContact O-CD1 3.17Å; V540-Y544 VanDerWaalsContact O-CG 3.31Å; V540-Y544 PolarHBondContact O-N 2.97Å
541	I	98.9	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-77	-37.4	-179.7	-64.3	173.3	0	0	0	110.8	P538 T543 Y544 W545 A563 I567 T602 L606	P538-I541 CarbonylContact O-C 3.56Å; P538-I541 WeakPolarHBondContact O-CA 3.37Å; P538-I541 WeakPolarHBondContact O-CB 3.31Å; P538-I541 PolarHBondContact O-N 3.24Å; I541-T543 VanDerWaalsContact C-N 3.29Å; I541-T543 PolarHBondContact O-N 3.34Å; I541-Y544 HydrophobicContact CG1-CD2 4.47Å; I541-Y544 PolarHBondContact O-N 2.85Å; I541-Y544 VanDerWaalsContact O-N 3.16Å; I541-W545 PolarHBondContact O-N 2.74Å; I541-A563 HydrophobicContact CD1-CB 4.09Å; I541-A563 HydrophobicContact CG1-CB 4.33Å; I541-I567 HydrophobicContact CD1-CD1 4.27Å; I541-T602 HydrophobicContact CD1-CG2 4.01Å; I541-L606 HydrophobicContact CD1-CD1 4.28Å; I541-L606 HydrophobicContact CD1-CD2 4.05Å; I541-L606 HydrophobicContact CD1-CG 4.07Å; I541-L606 HydrophobicContact CG1-CD2 4.5Å; I541-L606 HydrophobicContact CG2-CD2 3.73Å; I541-L606 HydrophobicContact CG2-CG 3.8Å
542	E	98.9	Very high	98.6	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-51.5	-52	168	179.7	-175.8	-163.7	0	0	110	K413 P538 Y544 W545 Y546 Y605	K413-E542 IonicContact NZ-OE1 3.73Å; P538-E542 PolarHBondContact O-N 2.63Å; E542-Y544 PolarHBondContact O-N 2.92Å; E542-W545 WeakPolarHBondContact O-CB 3.41Å; E542-W545 PolarHBondContact O-N 2.76Å; E542-W545 VanDerWaalsContact O-N 3.09Å; E542-Y546 HydrophobicContact CG-CD2 3.81Å; E542-Y546 HydrophobicContact CG-CE2 3.5Å; E542-Y546 VanDerWaalsContact O-CD2 3.31Å; E542-Y546 WeakPolarHBondContact O-CD2 3.44Å; E542-Y546 PolarHBondContact O-N 3.24Å; E542-Y546 WeakPolarHBondContact OE1-CE2 3.5Å; E542-Y605 HydrophobicContact CB-CD2 3.73Å; E542-Y605 HydrophobicContact CB-CE2 3.62Å; E542-Y605 HydrophobicContact CB-CG 4.28Å; E542-Y605 HydrophobicContact CG-CD2 4.23Å; E542-Y605 HydrophobicContact CG-CE1 4.17Å; E542-Y605 HydrophobicContact CG-CE2 3.71Å; E542-Y605 PolarHBondContact OE1-OH 3.09Å
543	T	98.9	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-41.5	176.4	-81.6	0	0	0	0	112.6	C468 F469 G472 A497 E539 V540 I541 W545 M547	C468-T543 PolarHBondContact O-OG1 3.26Å; F469-T543 PolarHBondContact O-OG1 2.74Å; G472-T543 PolarHBondContact N-OG1 2.9Å; A497-T543 HydrophobicContact CB-CG2 3.48Å; A497-T543 VanDerWaalsContact CB-CG2 3.48Å; E539-T543 PolarHBondContact O-N 3.49Å; E539-T543 PolarHBondContact O-OG1 2.59Å; V540-T543 PolarHBondContact O-N 2.72Å; I541-T543 VanDerWaalsContact C-N 3.29Å; I541-T543 PolarHBondContact O-N 3.34Å; T543-W545 VanDerWaalsContact C-N 3.29Å; T543-W545 PolarHBondContact O-N 3.12Å; T543-M547 HydrophobicContact CG2-CG 4.26Å; T543-M547 VanDerWaalsContact O-CB 3.29Å; T543-M547 WeakPolarHBondContact O-CB 3.46Å; T543-M547 WeakPolarHBondContact O-CG 3.43Å; T543-M547 PolarHBondContact O-N 2.59Å
544	Y	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-36.6	174	-61.3	-19.9	0	0	0	112.6	H501 V540 I541 E542 W548 Y556 W559	H501-Y544 VanDerWaalsContact CA-OH 3.28Å; H501-Y544 WeakPolarHBondContact CA-OH 3.34Å; H501-Y544 HydrophobicContact CB-CE1 4.29Å; H501-Y544 WeakPolarHBondContact CB-OH 3.39Å; H501-Y544 PolarHBondContact ND1-OH 2.88Å; V540-Y544 HydrophobicContact CG1-CE1 3.81Å; V540-Y544 HydrophobicContact CG1-CE2 3.8Å; V540-Y544 VanDerWaalsContact CG1-OH 3.3Å; V540-Y544 WeakPolarHBondContact CG1-OH 3.46Å; V540-Y544 WeakPolarHBondContact O-CD1 3.17Å; V540-Y544 VanDerWaalsContact O-CG 3.31Å; V540-Y544 PolarHBondContact O-N 2.97Å; I541-Y544 HydrophobicContact CG1-CD2 4.47Å; I541-Y544 PolarHBondContact O-N 2.85Å; I541-Y544 VanDerWaalsContact O-N 3.16Å; E542-Y544 PolarHBondContact O-N 2.92Å; Y544-W548 VanDerWaalsContact O-CB 3.25Å; Y544-W548 WeakPolarHBondContact O-CB 3.41Å; Y544-W548 PolarHBondContact O-N 2.9Å; Y544-Y556 HydrophobicContact CD1-CD1 4.09Å; Y544-W559 HydrophobicContact CD1-CE3 4.1Å; Y544-W559 HydrophobicContact CD2-CB 4.08Å; Y544-W559 HydrophobicContact CE1-CB 4.19Å; Y544-W559 HydrophobicContact CE1-CD2 4.49Å; Y544-W559 AromaticContact CE1-CE3 3.68Å; Y544-W559 HydrophobicContact CE1-CE3 3.68Å; Y544-W559 HydrophobicContact CE1-CZ3 4.44Å; Y544-W559 HydrophobicContact CE2-CB 3.62Å
545	W	98.8	Very high	98.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.3	-48.9	178	170.8	58.9	0	0	0	112.6	I541 E542 T543 M547 W548 R549 Y605 L608 L609 F618 F623	I541-W545 PolarHBondContact O-N 2.74Å; E542-W545 WeakPolarHBondContact O-CB 3.41Å; E542-W545 PolarHBondContact O-N 2.76Å; E542-W545 VanDerWaalsContact O-N 3.09Å; T543-W545 VanDerWaalsContact C-N 3.29Å; T543-W545 PolarHBondContact O-N 3.12Å; W545-M547 PolarHBondContact O-N 3.26Å; W545-W548 PolarHBondContact O-N 3.08Å; W545-R549 PolarHBondContact O-N 3.29Å; W545-Y605 HydrophobicContact CD2-CD1 4.03Å; W545-Y605 AromaticContact CE3-CD1 3.42Å; W545-Y605 HydrophobicContact CE3-CD1 3.42Å; W545-Y605 VanDerWaalsContact CE3-CD1 3.42Å; W545-Y605 AromaticContact CE3-CE1 3.57Å; W545-Y605 HydrophobicContact CE3-CE1 3.57Å; W545-Y605 HydrophobicContact CH2-CE1 4.4Å; W545-Y605 AromaticContact CZ3-CD1 3.77Å; W545-Y605 HydrophobicContact CZ3-CD1 3.77Å; W545-Y605 AromaticContact CZ3-CE1 3.48Å; W545-Y605 HydrophobicContact CZ3-CE1 3.48Å; W545-Y605 VanDerWaalsContact CZ3-CE1 3.48Å; W545-L608 HydrophobicContact CD2-CB 4.41Å; W545-L608 HydrophobicContact CG-CB 4.4Å; W545-L608 HydrophobicContact CH2-CD1 4.24Å; W545-L608 HydrophobicContact CZ2-CB 4.3Å; W545-L608 HydrophobicContact CZ2-CD1 3.86Å; W545-L609 HydrophobicContact CB-CB 4.4Å; W545-F618 HydrophobicContact CH2-CD1 4.47Å; W545-F618 AromaticContact CH2-CE1 3.51Å; W545-F618 HydrophobicContact CH2-CE1 3.51Å; W545-F618 HydrophobicContact CH2-CZ 4.22Å; W545-F618 AromaticContact CZ2-CE1 3.74Å; W545-F618 HydrophobicContact CZ2-CE1 3.74Å; W545-F618 HydrophobicContact CZ2-CZ 4.16Å; W545-F618 HydrophobicContact CZ3-CE1 4.02Å; W545-F623 HydrophobicContact CH2-CD1 4.23Å; W545-F623 AromaticContact CH2-CD2 3.78Å; W545-F623 HydrophobicContact CH2-CD2 3.78Å; W545-F623 AromaticContact CH2-CE1 3.97Å; W545-F623 HydrophobicContact CH2-CE1 3.97Å; W545-F623 AromaticContact CH2-CE2 3.51Å; W545-F623 HydrophobicContact CH2-CE2 3.51Å; W545-F623 HydrophobicContact CH2-CG 4.15Å; W545-F623 AromaticContact CH2-CZ 3.61Å; W545-F623 HydrophobicContact CH2-CZ 3.61Å; W545-F623 HydrophobicContact CZ2-CE2 4.23Å; W545-F623 HydrophobicContact CZ2-CZ 4.13Å; W545-F623 HydrophobicContact CZ3-CD1 4.37Å; W545-F623 HydrophobicContact CZ3-CD2 4.35Å; W545-F623 HydrophobicContact CZ3-CE1 4.44Å; W545-F623 HydrophobicContact CZ3-CE2 4.45Å; W545-F623 HydrophobicContact CZ3-CG 4.34Å; W545-F623 HydrophobicContact CZ3-CZ 4.49Å
546	Y	98.8	Very high	98.6	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-46.6	173.7	-74.6	-72.6	0	0	0	111.5	L476 E542 W548 R549 F550 F618	L476-Y546 HydrophobicContact CB-CD1 4.28Å; L476-Y546 HydrophobicContact CB-CE1 4.4Å; L476-Y546 HydrophobicContact CD1-CD1 4.32Å; L476-Y546 HydrophobicContact CD1-CE1 4.02Å; L476-Y546 HydrophobicContact CD2-CD1 4.49Å; L476-Y546 HydrophobicContact CD2-CE1 3.8Å; L476-Y546 HydrophobicContact CG-CE1 4.29Å; E542-Y546 HydrophobicContact CG-CD2 3.81Å; E542-Y546 HydrophobicContact CG-CE2 3.5Å; E542-Y546 VanDerWaalsContact O-CD2 3.31Å; E542-Y546 WeakPolarHBondContact O-CD2 3.44Å; E542-Y546 PolarHBondContact O-N 3.24Å; E542-Y546 WeakPolarHBondContact OE1-CE2 3.5Å; Y546-W548 VanDerWaalsContact C-N 3.34Å; Y546-W548 PolarHBondContact O-N 2.89Å; Y546-R549 PolarHBondContact O-N 2.78Å; Y546-F550 HydrophobicContact CD1-CE2 4.07Å; Y546-F550 WeakPolarHBondContact O-CD2 3.38Å; Y546-F550 PolarHBondContact O-N 3.32Å; Y546-F618 AromaticContact CD1-CE1 3.74Å; Y546-F618 HydrophobicContact CD1-CE1 3.74Å; Y546-F618 HydrophobicContact CD1-CE2 4.14Å; Y546-F618 AromaticContact CD1-CZ 3.37Å; Y546-F618 HydrophobicContact CD1-CZ 3.37Å; Y546-F618 HydrophobicContact CE1-CD1 4.3Å; Y546-F618 AromaticContact CE1-CE1 3.46Å; Y546-F618 HydrophobicContact CE1-CE1 3.46Å; Y546-F618 VanDerWaalsContact CE1-CE1 3.46Å; Y546-F618 AromaticContact CE1-CZ 3.64Å; Y546-F618 HydrophobicContact CE1-CZ 3.64Å; Y546-F618 HydrophobicContact CG-CZ 4.41Å
547	M	98.8	Very high	98.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-38.1	178.7	-70.7	-55.1	-47.8	0	0	112.4	A475 L490 G493 A494 A497 T543 W545 T551 Y556	A475-M547 HydrophobicContact CB-SD 3.59Å; A475-M547 VanDerWaalsContact CB-SD 3.59Å; L490-M547 HydrophobicContact CD1-CE 3.99Å; G493-M547 VanDerWaalsContact C-SD 3.6Å; A494-M547 HydrophobicContact CB-CE 3.78Å; A497-M547 HydrophobicContact CB-CG 4.05Å; T543-M547 HydrophobicContact CG2-CG 4.26Å; T543-M547 VanDerWaalsContact O-CB 3.29Å; T543-M547 WeakPolarHBondContact O-CB 3.46Å; T543-M547 WeakPolarHBondContact O-CG 3.43Å; T543-M547 PolarHBondContact O-N 2.59Å; W545-M547 PolarHBondContact O-N 3.26Å; M547-T551 HydrophobicContact CE-CG2 3.78Å; M547-T551 WeakPolarHBondContact O-CB 3.05Å; M547-T551 PolarHBondContact O-N 2.88Å; M547-T551 VanDerWaalsContact O-N 3.12Å; M547-T551 PolarHBondContact O-OG1 3.49Å; M547-Y556 HydrophobicContact CB-CD1 3.71Å; M547-Y556 HydrophobicContact CB-CD2 3.79Å; M547-Y556 HydrophobicContact CB-CE1 3.58Å; M547-Y556 HydrophobicContact CB-CE2 3.68Å; M547-Y556 HydrophobicContact CB-CG 3.83Å; M547-Y556 HydrophobicContact CE-CE2 4.22Å; M547-Y556 HydrophobicContact CG-CD1 4.43Å; M547-Y556 HydrophobicContact CG-CE1 3.93Å
548	W	98.6	Very high	98.6	Very high	21 Å²	21	30 Å²	30	8%	0.08	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-52.9	172	164.5	-99.8	0	0	0	110.8	Y544 W545 Y546 F550 T551 H552 R557 L609	Y544-W548 VanDerWaalsContact O-CB 3.25Å; Y544-W548 WeakPolarHBondContact O-CB 3.41Å; Y544-W548 PolarHBondContact O-N 2.9Å; W545-W548 PolarHBondContact O-N 3.08Å; Y546-W548 VanDerWaalsContact C-N 3.34Å; Y546-W548 PolarHBondContact O-N 2.89Å; W548-F550 PolarHBondContact O-N 3.42Å; W548-T551 PolarHBondContact O-N 3.5Å; W548-H552 HydrophobicContact CH2-CB 4.27Å; W548-H552 AromaticContact CZ2-CD2 3.77Å; W548-H552 VanDerWaalsContact CZ3-C 3.5Å; W548-H552 HydrophobicContact CZ3-CB 4.41Å; W548-H552 VanDerWaalsContact CZ3-O 3.31Å; W548-H552 WeakPolarHBondContact CZ3-O 3.25Å; W548-H552 VanDerWaalsContact O-CA 3.23Å; W548-H552 WeakPolarHBondContact O-CA 3.48Å; W548-H552 PolarHBondContact O-N 2.7Å; W548-H552 PolarHBondContact O-ND1 3.12Å; W548-R557 HydrophobicContact CD2-CG 3.87Å; W548-R557 HydrophobicContact CE3-CB 4.42Å; W548-R557 HydrophobicContact CE3-CG 3.81Å; W548-R557 HydrophobicContact CG-CG 4.37Å; W548-R557 HydrophobicContact CZ3-CG 4.22Å; W548-L609 HydrophobicContact CB-CD1 3.47Å; W548-L609 VanDerWaalsContact CB-CD1 3.47Å; W548-L609 HydrophobicContact CG-CD1 3.75Å
549	R	97.3	Very high	98.6	Very high	14 Å²	14	31.3 Å²	31.3	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-46.9	-177.5	-68.4	-154.1	154.9	166.9	-0.4	112.7	W545 Y546 T551 H552 S612 D613 L615 M616 F618	W545-R549 PolarHBondContact O-N 3.29Å; Y546-R549 PolarHBondContact O-N 2.78Å; R549-T551 VanDerWaalsContact C-N 3.34Å; R549-T551 PolarHBondContact O-N 2.91Å; R549-H552 PolarHBondContact O-CE1 3.4Å; R549-H552 PolarHBondContact O-ND1 3.23Å; R549-H552 VanDerWaalsContact O-ND1 3.08Å; R549-S612 PolarHBondContact NH2-O 3.34Å; R549-D613 WeakPolarHBondContact CG-OD1 3.23Å; R549-D613 WeakPolarHBondContact CG-OD2 3.45Å; R549-D613 IonicContact CZ-OD1 3.88Å; R549-D613 VanDerWaalsContact NE-CG 3.27Å; R549-D613 IonicContact NE-OD1 3.72Å; R549-D613 PolarHBondContact NE-OD1 2.89Å; R549-D613 IonicContact NE-OD2 3.82Å; R549-D613 IonicContact NH2-OD1 3.75Å; R549-L615 PolarHBondContact NH1-O 3.43Å; R549-L615 VanDerWaalsContact NH1-O 3.07Å; R549-L615 PolarHBondContact NH2-O 2.89Å; R549-M616 PolarHBondContact NH1-O 2.92Å; R549-F618 HydrophobicContact CB-CE2 3.65Å; R549-F618 HydrophobicContact CB-CZ 4.09Å; R549-F618 HydrophobicContact CG-CE2 4.19Å; R549-F618 HydrophobicContact CG-CZ 4.22Å
550	F	97.6	Very high	98.6	Very high	79 Å²	79	30.6 Å²	30.6	35%	0.346	15%	0.15	S	C	.	.	H	α-helix	trans	-73.3	-17.5	-178	-69	-59.9	0	0	0	115.2	A475 L476 L490 Y546 W548 F618	A475-F550 HydrophobicContact CB-CD2 3.8Å; A475-F550 HydrophobicContact CB-CE2 4.38Å; L476-F550 HydrophobicContact CB-CE2 4.13Å; L476-F550 HydrophobicContact CD1-CE2 4.16Å; L476-F550 HydrophobicContact CD1-CZ 3.87Å; L490-F550 HydrophobicContact CD1-CB 3.92Å; Y546-F550 HydrophobicContact CD1-CE2 4.07Å; Y546-F550 WeakPolarHBondContact O-CD2 3.38Å; Y546-F550 PolarHBondContact O-N 3.32Å; W548-F550 PolarHBondContact O-N 3.42Å; F550-F618 HydrophobicContact CD2-CE2 4.49Å; F550-F618 HydrophobicContact CE1-CD2 4.12Å; F550-F618 HydrophobicContact CE1-CE2 4.23Å; F550-F618 HydrophobicContact CE2-CD2 4.34Å; F550-F618 AromaticContact CE2-CE2 3.84Å; F550-F618 HydrophobicContact CE2-CE2 3.84Å; F550-F618 HydrophobicContact CE2-CZ 4.5Å; F550-F618 AromaticContact CZ-CD2 3.72Å; F550-F618 HydrophobicContact CZ-CD2 3.72Å; F550-F618 AromaticContact CZ-CE2 3.68Å; F550-F618 HydrophobicContact CZ-CE2 3.68Å
551	T	98	Very high	98.6	Very high	56 Å²	56	32.6 Å²	32.6	34%	0.344	16%	0.158	S	C	.	.	H	α-helix	trans	-125.4	-21.8	-175.1	69.4	0	0	0	0	115.4	L490 M547 W548 R549 D553	L490-T551 HydrophobicContact CD1-CG2 4.02Å; L490-T551 HydrophobicContact CD2-CG2 4.36Å; L490-T551 HydrophobicContact CG-CG2 4.38Å; M547-T551 HydrophobicContact CE-CG2 3.78Å; M547-T551 WeakPolarHBondContact O-CB 3.05Å; M547-T551 PolarHBondContact O-N 2.88Å; M547-T551 VanDerWaalsContact O-N 3.12Å; M547-T551 PolarHBondContact O-OG1 3.49Å; W548-T551 PolarHBondContact O-N 3.5Å; R549-T551 VanDerWaalsContact C-N 3.34Å; R549-T551 PolarHBondContact O-N 2.91Å; T551-D553 PolarHBondContact O-N 3.03Å; T551-D553 VanDerWaalsContact O-N 3.09Å; T551-D553 WeakPolarHBondContact OG1-CB 3.39Å; T551-D553 PolarHBondContact OG1-N 3.43Å
552	H	97.9	Very high	98.6	Very high	105 Å²	105	35.6 Å²	35.6	49%	0.486	17%	0.172	S	C	.	.			trans	50.4	23.6	-168	-76	56	0	0	0	114	W548 R549 P554 D613	W548-H552 HydrophobicContact CH2-CB 4.27Å; W548-H552 AromaticContact CZ2-CD2 3.77Å; W548-H552 VanDerWaalsContact CZ3-C 3.5Å; W548-H552 HydrophobicContact CZ3-CB 4.41Å; W548-H552 VanDerWaalsContact CZ3-O 3.31Å; W548-H552 WeakPolarHBondContact CZ3-O 3.25Å; W548-H552 VanDerWaalsContact O-CA 3.23Å; W548-H552 WeakPolarHBondContact O-CA 3.48Å; W548-H552 PolarHBondContact O-N 2.7Å; W548-H552 PolarHBondContact O-ND1 3.12Å; R549-H552 PolarHBondContact O-CE1 3.4Å; R549-H552 PolarHBondContact O-ND1 3.23Å; R549-H552 VanDerWaalsContact O-ND1 3.08Å; H552-P554 WeakPolarHBondContact O-CD 3.48Å; H552-D613 IonicContact CE1-OD2 2.78Å; H552-D613 PolarHBondContact CE1-OD2 3.02Å; H552-D613 VanDerWaalsContact CE1-OD2 3.26Å; H552-D613 IonicContact NE2-OD2 3.69Å
553	D	98.6	Very high	98.6	Very high	51 Å²	51	35.2 Å²	35.2	27%	0.273	17%	0.171	S	C	.	.			trans	-72.3	118.2	176.8	-177.3	-26.7	0	0	0	109.9	T551 K555 Y556	T551-D553 PolarHBondContact O-N 3.03Å; T551-D553 VanDerWaalsContact O-N 3.09Å; T551-D553 WeakPolarHBondContact OG1-CB 3.39Å; T551-D553 PolarHBondContact OG1-N 3.43Å; D553-K555 PolarHBondContact O-N 3.32Å; D553-K555 WeakPolarHBondContact OD1-CB 3.48Å; D553-K555 VanDerWaalsContact OD1-CG 3.26Å; D553-K555 WeakPolarHBondContact OD1-CG 3.5Å; D553-K555 PolarHBondContact OD1-N 3.26Å; D553-K555 WeakPolarHBondContact OD2-CD 3.44Å; D553-K555 WeakPolarHBondContact OD2-CE 3.38Å; D553-K555 IonicContact OD2-NZ 3.16Å; D553-K555 PolarHBondContact OD2-NZ 2.89Å; D553-Y556 HydrophobicContact CB-CD2 3.84Å; D553-Y556 HydrophobicContact CB-CE2 3.81Å; D553-Y556 WeakPolarHBondContact O-CD2 3.49Å; D553-Y556 PolarHBondContact O-N 3.26Å
554	P	98.3	Very high	98.6	Very high	95 Å²	95	35.3 Å²	35.3	62%	0.617	17%	0.171	S	C	*	.	H	α-helix	trans	-63.2	-16.5	-173.5	26.4	-35.6	0	0	0	113.7	H552 Y556 R557 Q558	H552-P554 WeakPolarHBondContact O-CD 3.48Å; P554-Y556 PolarHBondContact O-N 3.34Å; P554-R557 PolarHBondContact O-N 2.81Å; P554-Q558 PolarHBondContact O-N 3.29Å
555	K	98.6	Very high	98.6	Very high	66 Å²	66	40.3 Å²	40.3	29%	0.287	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-32.5	176.2	83.4	-168.7	-176.9	-120	0	112.2	D553 Q558 W559	D553-K555 PolarHBondContact O-N 3.32Å; D553-K555 WeakPolarHBondContact OD1-CB 3.48Å; D553-K555 VanDerWaalsContact OD1-CG 3.26Å; D553-K555 WeakPolarHBondContact OD1-CG 3.5Å; D553-K555 PolarHBondContact OD1-N 3.26Å; D553-K555 WeakPolarHBondContact OD2-CD 3.44Å; D553-K555 WeakPolarHBondContact OD2-CE 3.38Å; D553-K555 IonicContact OD2-NZ 3.16Å; D553-K555 PolarHBondContact OD2-NZ 2.89Å; K555-Q558 WeakPolarHBondContact O-CB 3.34Å; K555-Q558 PolarHBondContact O-N 3.24Å; K555-W559 HydrophobicContact CB-CZ2 4.35Å; K555-W559 HydrophobicContact CD-CH2 3.74Å; K555-W559 HydrophobicContact CD-CZ2 3.85Å; K555-W559 HydrophobicContact CD-CZ3 4.26Å; K555-W559 HydrophobicContact CG-CD2 4.32Å; K555-W559 HydrophobicContact CG-CE3 4.31Å; K555-W559 HydrophobicContact CG-CH2 4.05Å; K555-W559 HydrophobicContact CG-CZ2 4.03Å; K555-W559 HydrophobicContact CG-CZ3 4.19Å; K555-W559 WeakPolarHBondContact O-CB 3.4Å; K555-W559 PolarHBondContact O-N 3.05Å
556	Y	98.8	Very high	98.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-70.6	-39.8	-179.9	-62.6	-64.9	0	0	0	112.2	A497 Y544 M547 D553 P554 Q558 W559 G560	A497-Y556 HydrophobicContact CB-CE1 3.84Å; Y544-Y556 HydrophobicContact CD1-CD1 4.09Å; M547-Y556 HydrophobicContact CB-CD1 3.71Å; M547-Y556 HydrophobicContact CB-CD2 3.79Å; M547-Y556 HydrophobicContact CB-CE1 3.58Å; M547-Y556 HydrophobicContact CB-CE2 3.68Å; M547-Y556 HydrophobicContact CB-CG 3.83Å; M547-Y556 HydrophobicContact CE-CE2 4.22Å; M547-Y556 HydrophobicContact CG-CD1 4.43Å; M547-Y556 HydrophobicContact CG-CE1 3.93Å; D553-Y556 HydrophobicContact CB-CD2 3.84Å; D553-Y556 HydrophobicContact CB-CE2 3.81Å; D553-Y556 WeakPolarHBondContact O-CD2 3.49Å; D553-Y556 PolarHBondContact O-N 3.26Å; P554-Y556 PolarHBondContact O-N 3.34Å; Y556-Q558 VanDerWaalsContact C-N 3.34Å; Y556-W559 AromaticContact CD1-CE3 3.8Å; Y556-W559 HydrophobicContact CD1-CE3 3.8Å; Y556-W559 AromaticContact CD1-CZ3 3.92Å; Y556-W559 HydrophobicContact CD1-CZ3 3.92Å; Y556-W559 AromaticContact CE1-CE3 4Å; Y556-W559 HydrophobicContact CE1-CE3 4Å; Y556-W559 AromaticContact CE1-CZ3 3.61Å; Y556-W559 HydrophobicContact CE1-CZ3 3.61Å; Y556-G560 PolarHBondContact O-N 3.01Å
557	R	98.6	Very high	98.6	Very high	28 Å²	28	40.4 Å²	40.4	11%	0.106	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-36.6	169.5	-87.4	-178.3	170	-176.6	0.7	111.7	E180 W548 P554 W561 L609 F610 S611	E180-R557 IonicContact OE2-CZ 2.72Å; E180-R557 IonicContact OE2-NH1 3.24Å; E180-R557 PolarHBondContact OE2-NH1 3.2Å; W548-R557 HydrophobicContact CD2-CG 3.87Å; W548-R557 HydrophobicContact CE3-CB 4.42Å; W548-R557 HydrophobicContact CE3-CG 3.81Å; W548-R557 HydrophobicContact CG-CG 4.37Å; W548-R557 HydrophobicContact CZ3-CG 4.22Å; P554-R557 PolarHBondContact O-N 2.81Å; R557-W561 WeakPolarHBondContact O-CB 3.34Å; R557-W561 PolarHBondContact O-N 3.39Å; R557-W561 VanDerWaalsContact O-N 3.09Å; R557-L609 HydrophobicContact CG-CD1 3.76Å; R557-L609 HydrophobicContact CG-CG 4.07Å; R557-L609 PolarHBondContact NE-O 3.02Å; R557-F610 HydrophobicContact CB-CE1 3.96Å; R557-F610 HydrophobicContact CG-CD1 4.13Å; R557-F610 HydrophobicContact CG-CE1 3.99Å; R557-F610 WeakPolarHBondContact O-CE1 3.24Å; R557-F610 WeakPolarHBondContact O-CZ 3.49Å; R557-S611 PolarHBondContact NH2-O 2.92Å
558	Q	98.8	Very high	98.5	Very high	83 Å²	83	42.5 Å²	42.5	39%	0.388	21%	0.208	S	C	.	.	H	α-helix	trans	-66.3	-50.2	175.2	178.5	59.4	24.6	0	0	112.3	P554 K555 Y556 G560 W561 E562	P554-Q558 PolarHBondContact O-N 3.29Å; K555-Q558 WeakPolarHBondContact O-CB 3.34Å; K555-Q558 PolarHBondContact O-N 3.24Å; Y556-Q558 VanDerWaalsContact C-N 3.34Å; Q558-G560 VanDerWaalsContact C-N 3.35Å; Q558-G560 PolarHBondContact O-N 2.81Å; Q558-W561 WeakPolarHBondContact O-CB 3.48Å; Q558-W561 PolarHBondContact O-N 2.88Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.38Å; Q558-E562 PolarHBondContact NE2-OE1 2.9Å; Q558-E562 WeakPolarHBondContact O-CG 3.49Å; Q558-E562 PolarHBondContact O-N 3.03Å
559	W	98.9	Very high	98.5	Very high	29 Å²	29	48.2 Å²	48.2	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-37.2	179.4	-62.5	-18.9	0	0	0	112.8	H498 H501 Y544 K555 Y556 W561 E562 A563	H498-W559 HydrophobicContact CB-CH2 4.3Å; H501-W559 HydrophobicContact CB-CD2 4.05Å; H501-W559 HydrophobicContact CB-CE3 3.92Å; H501-W559 HydrophobicContact CB-CH2 4.37Å; H501-W559 HydrophobicContact CB-CZ2 4.49Å; H501-W559 HydrophobicContact CB-CZ3 4.08Å; H501-W559 AromaticContact CD2-CE2 3.65Å; H501-W559 AromaticContact CD2-CZ2 3.93Å; H501-W559 AromaticContact CD2-NE1 3.67Å; H501-W559 AromaticContact CE1-CD1 3.15Å; H501-W559 AromaticContact CE1-CG 3.55Å; H501-W559 AromaticContact CE1-NE1 3.43Å; H501-W559 PolarHBondContact CE1-NE1 2.91Å; H501-W559 AromaticContact CG-CD2 3.62Å; H501-W559 AromaticContact CG-CE2 3.68Å; H501-W559 AromaticContact CG-CG 3.85Å; H501-W559 AromaticContact CG-NE1 3.9Å; H501-W559 AromaticContact ND1-CD1 3.42Å; H501-W559 AromaticContact ND1-CD2 3.61Å; H501-W559 AromaticContact ND1-CE2 3.9Å; H501-W559 AromaticContact ND1-CG 3.3Å; H501-W559 VanDerWaalsContact ND1-CG 3.3Å; H501-W559 AromaticContact ND1-NE1 3.76Å; H501-W559 AromaticContact NE2-CD1 3.6Å; H501-W559 AromaticContact NE2-CE2 3.86Å; H501-W559 AromaticContact NE2-NE1 3.36Å; H501-W559 PolarHBondContact NE2-NE1 3.45Å; Y544-W559 HydrophobicContact CD1-CE3 4.1Å; Y544-W559 HydrophobicContact CD2-CB 4.08Å; Y544-W559 HydrophobicContact CE1-CB 4.19Å; Y544-W559 HydrophobicContact CE1-CD2 4.49Å; Y544-W559 AromaticContact CE1-CE3 3.68Å; Y544-W559 HydrophobicContact CE1-CE3 3.68Å; Y544-W559 HydrophobicContact CE1-CZ3 4.44Å; Y544-W559 HydrophobicContact CE2-CB 3.62Å; K555-W559 HydrophobicContact CB-CZ2 4.35Å; K555-W559 HydrophobicContact CD-CH2 3.74Å; K555-W559 HydrophobicContact CD-CZ2 3.85Å; K555-W559 HydrophobicContact CD-CZ3 4.26Å; K555-W559 HydrophobicContact CG-CD2 4.32Å; K555-W559 HydrophobicContact CG-CE3 4.31Å; K555-W559 HydrophobicContact CG-CH2 4.05Å; K555-W559 HydrophobicContact CG-CZ2 4.03Å; K555-W559 HydrophobicContact CG-CZ3 4.19Å; K555-W559 WeakPolarHBondContact O-CB 3.4Å; K555-W559 PolarHBondContact O-N 3.05Å; Y556-W559 AromaticContact CD1-CE3 3.8Å; Y556-W559 HydrophobicContact CD1-CE3 3.8Å; Y556-W559 AromaticContact CD1-CZ3 3.92Å; Y556-W559 HydrophobicContact CD1-CZ3 3.92Å; Y556-W559 AromaticContact CE1-CE3 4Å; Y556-W559 HydrophobicContact CE1-CE3 4Å; Y556-W559 AromaticContact CE1-CZ3 3.61Å; Y556-W559 HydrophobicContact CE1-CZ3 3.61Å; W559-W561 VanDerWaalsContact C-N 3.32Å; W559-E562 PolarHBondContact O-N 3.22Å; W559-A563 PolarHBondContact O-N 3Å
560	G	98.9	Very high	98.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-34	171.3	0	0	0	0	0	113	Y556 Q558 A564 L606	Y556-G560 PolarHBondContact O-N 3.01Å; Q558-G560 VanDerWaalsContact C-N 3.35Å; Q558-G560 PolarHBondContact O-N 2.81Å; G560-A564 WeakPolarHBondContact O-CB 3.34Å; G560-A564 PolarHBondContact O-N 3.19Å; G560-L606 VanDerWaalsContact O-CD2 3.3Å; G560-L606 WeakPolarHBondContact O-CD2 3.37Å
561	W	98.9	Very high	98.7	Very high	42 Å²	42	46 Å²	46	16%	0.159	22%	0.223	C	C	.	.	H	α-helix	trans	-71.2	-40.9	175.8	-174.4	-122.2	0	0	0	112.1	K186 K189 I190 R557 Q558 W559 A563 A564 Q565 F610	K186-W561 HydrophobicContact CB-CD2 4.4Å; K186-W561 HydrophobicContact CB-CE3 3.81Å; K186-W561 HydrophobicContact CB-CH2 4.23Å; K186-W561 HydrophobicContact CB-CZ3 3.72Å; K186-W561 HydrophobicContact CD-CB 4.38Å; K186-W561 HydrophobicContact CD-CD2 3.79Å; K186-W561 HydrophobicContact CD-CE3 4.04Å; K186-W561 HydrophobicContact CD-CG 3.94Å; K186-W561 HydrophobicContact CG-CD2 3.67Å; K186-W561 HydrophobicContact CG-CE3 3.58Å; K186-W561 HydrophobicContact CG-CG 4.36Å; K186-W561 HydrophobicContact CG-CH2 3.83Å; K186-W561 HydrophobicContact CG-CZ2 3.93Å; K186-W561 HydrophobicContact CG-CZ3 3.67Å; K189-W561 HydrophobicContact CB-CH2 3.98Å; K189-W561 HydrophobicContact CB-CZ3 4.22Å; K189-W561 HydrophobicContact CG-CH2 3.83Å; K189-W561 HydrophobicContact CG-CZ3 4.12Å; I190-W561 HydrophobicContact CD1-CZ3 4.39Å; R557-W561 WeakPolarHBondContact O-CB 3.34Å; R557-W561 PolarHBondContact O-N 3.39Å; R557-W561 VanDerWaalsContact O-N 3.09Å; Q558-W561 WeakPolarHBondContact O-CB 3.48Å; Q558-W561 PolarHBondContact O-N 2.88Å; W559-W561 VanDerWaalsContact C-N 3.32Å; W561-A563 VanDerWaalsContact C-N 3.32Å; W561-A563 PolarHBondContact O-N 3.48Å; W561-A564 HydrophobicContact CE3-CB 4.06Å; W561-A564 HydrophobicContact CZ3-CB 4.43Å; W561-A564 PolarHBondContact O-N 3.44Å; W561-Q565 HydrophobicContact CD2-CG 4.24Å; W561-Q565 HydrophobicContact CZ2-CG 4.19Å; W561-Q565 VanDerWaalsContact NE1-NE2 3.17Å; W561-Q565 WeakPolarHBondContact O-CB 3.28Å; W561-Q565 WeakPolarHBondContact O-CG 3.3Å; W561-Q565 PolarHBondContact O-N 3.05Å; W561-F610 HydrophobicContact CB-CE1 4.45Å; W561-F610 HydrophobicContact CB-CZ 3.81Å; W561-F610 HydrophobicContact CE3-CE2 4.16Å; W561-F610 HydrophobicContact CE3-CZ 4.26Å
562	E	98.9	Very high	98.7	Very high	63 Å²	63	46.1 Å²	46.1	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-43.7	173.3	-71.3	161.6	177	0	0	111.2	H501 Q558 W559 Q565 A566	H501-E562 IonicContact CE1-OE2 2.88Å; H501-E562 PolarHBondContact CE1-OE2 3.06Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.38Å; Q558-E562 PolarHBondContact NE2-OE1 2.9Å; Q558-E562 WeakPolarHBondContact O-CG 3.49Å; Q558-E562 PolarHBondContact O-N 3.03Å; W559-E562 PolarHBondContact O-N 3.22Å; E562-Q565 PolarHBondContact O-N 3.18Å; E562-A566 WeakPolarHBondContact O-CB 3.29Å; E562-A566 PolarHBondContact O-N 3.2Å
563	A	98.9	Very high	98.7	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-44.4	173.2	0	0	0	0	0	112.5	Y504 I541 W559 W561 Q565 A566 I567	Y504-A563 HydrophobicContact CD1-CB 4.27Å; Y504-A563 HydrophobicContact CE1-CB 3.93Å; I541-A563 HydrophobicContact CD1-CB 4.09Å; I541-A563 HydrophobicContact CG1-CB 4.33Å; W559-A563 PolarHBondContact O-N 3Å; W561-A563 VanDerWaalsContact C-N 3.32Å; W561-A563 PolarHBondContact O-N 3.48Å; A563-Q565 PolarHBondContact O-N 3.43Å; A563-A566 PolarHBondContact O-N 3.27Å; A563-I567 VanDerWaalsContact O-CG1 3.25Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 3.44Å
564	A	98.9	Very high	98.7	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-44.2	176.1	0	0	0	0	0	112.3	I190 G560 W561 I567 D568 L606	I190-A564 HydrophobicContact CD1-CB 3.8Å; G560-A564 WeakPolarHBondContact O-CB 3.34Å; G560-A564 PolarHBondContact O-N 3.19Å; W561-A564 HydrophobicContact CE3-CB 4.06Å; W561-A564 HydrophobicContact CZ3-CB 4.43Å; W561-A564 PolarHBondContact O-N 3.44Å; A564-I567 PolarHBondContact O-N 2.86Å; A564-D568 WeakPolarHBondContact O-CB 3.3Å; A564-D568 PolarHBondContact O-N 3.39Å; A564-L606 HydrophobicContact CB-CD1 3.9Å; A564-L606 HydrophobicContact CB-CD2 4.11Å
565	Q	98.9	Very high	98.7	Very high	104 Å²	104	40 Å²	40	49%	0.486	19%	0.191	S	C	.	.	H	α-helix	trans	-64.2	-39.2	175.2	-72.3	-172.3	-31.7	0	0	112.1	W561 E562 A563 K569	W561-Q565 HydrophobicContact CD2-CG 4.24Å; W561-Q565 HydrophobicContact CZ2-CG 4.19Å; W561-Q565 VanDerWaalsContact NE1-NE2 3.17Å; W561-Q565 WeakPolarHBondContact O-CB 3.28Å; W561-Q565 WeakPolarHBondContact O-CG 3.3Å; W561-Q565 PolarHBondContact O-N 3.05Å; E562-Q565 PolarHBondContact O-N 3.18Å; A563-Q565 PolarHBondContact O-N 3.43Å; Q565-K569 WeakPolarHBondContact O-CB 3.25Å; Q565-K569 PolarHBondContact O-N 2.83Å
566	A	98.8	Very high	98.7	Very high	6 Å²	6	36.9 Å²	36.9	5%	0.05	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-42.1	175.1	0	0	0	0	0	112	L509 K510 L511 E562 A563 K569 Y570	L509-A566 WeakPolarHBondContact O-CB 3.37Å; K510-A566 HydrophobicContact CB-CB 4.19Å; K510-A566 WeakPolarHBondContact O-CB 3.26Å; L511-A566 HydrophobicContact CD2-CB 3.62Å; L511-A566 HydrophobicContact CG-CB 3.91Å; E562-A566 WeakPolarHBondContact O-CB 3.29Å; E562-A566 PolarHBondContact O-N 3.2Å; A563-A566 PolarHBondContact O-N 3.27Å; A566-K569 PolarHBondContact O-N 2.68Å; A566-Y570 WeakPolarHBondContact O-CB 3.31Å; A566-Y570 WeakPolarHBondContact O-CD2 3.43Å; A566-Y570 PolarHBondContact O-N 2.87Å
567	I	98.9	Very high	98.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-50.4	175.8	-68.1	164.3	0	0	0	111	M193 L511 Y534 I541 A563 A564 K569 C571 R572 F577 F598 T602	M193-I567 HydrophobicContact CE-CB 4.23Å; M193-I567 HydrophobicContact CE-CG2 3.79Å; L511-I567 HydrophobicContact CD2-CG1 3.86Å; Y534-I567 HydrophobicContact CE1-CG1 4.32Å; I541-I567 HydrophobicContact CD1-CD1 4.27Å; A563-I567 VanDerWaalsContact O-CG1 3.25Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 3.44Å; A564-I567 PolarHBondContact O-N 2.86Å; I567-K569 PolarHBondContact O-N 2.83Å; I567-C571 HydrophobicContact CG2-CB 4.25Å; I567-C571 WeakPolarHBondContact O-CA 3.38Å; I567-C571 WeakPolarHBondContact O-CB 3.38Å; I567-C571 PolarHBondContact O-N 2.86Å; I567-R572 PolarHBondContact O-N 3.46Å; I567-F577 HydrophobicContact CG2-CD1 3.8Å; I567-F577 HydrophobicContact CG2-CE1 3.84Å; I567-F598 HydrophobicContact CG2-CE2 3.76Å; I567-F598 HydrophobicContact CG2-CZ 3.8Å; I567-T602 HydrophobicContact CD1-CG2 4.01Å
568	D	98.7	Very high	98.7	Very high	45 Å²	45	35.5 Å²	35.5	24%	0.241	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-28.1	-179.6	-164.5	64.2	0	0	0	112.8	K189 M193 A564 R572	K189-D568 VanDerWaalsContact CE-CG 3.44Å; K189-D568 WeakPolarHBondContact CE-OD2 3.44Å; K189-D568 IonicContact NZ-OD1 3.86Å; K189-D568 PolarHBondContact NZ-OD1 2.66Å; K189-D568 IonicContact NZ-OD2 3.25Å; K189-D568 PolarHBondContact NZ-OD2 2.97Å; M193-D568 HydrophobicContact CE-CB 4.01Å; M193-D568 HydrophobicContact SD-CB 4.1Å; A564-D568 WeakPolarHBondContact O-CB 3.3Å; A564-D568 PolarHBondContact O-N 3.39Å; D568-R572 WeakPolarHBondContact O-CB 3.42Å; D568-R572 WeakPolarHBondContact OD1-CD 3.33Å; D568-R572 IonicContact OD1-CZ 2.81Å; D568-R572 IonicContact OD1-NE 2.66Å; D568-R572 IonicContact OD1-NH1 2.99Å; D568-R572 PolarHBondContact OD1-NH1 2.86Å
569	K	98.6	Very high	98.7	Very high	141 Å²	141	31.5 Å²	31.5	61%	0.613	15%	0.154	S	C	*	.	H	α-helix	trans	-86.1	-38.4	178.7	-175.8	-177.9	177.5	-163.9	0	114.6	Q565 A566 I567	Q565-K569 WeakPolarHBondContact O-CB 3.25Å; Q565-K569 PolarHBondContact O-N 2.83Å; A566-K569 PolarHBondContact O-N 2.68Å; I567-K569 PolarHBondContact O-N 2.83Å
570	Y	98.6	Very high	98.7	Very high	46 Å²	46	30.2 Å²	30.2	18%	0.18	15%	0.149	C	C	.	.	H	α-helix	trans	-118	-14.5	-167.6	-63.1	-63.5	0	0	0	115.3	L509 A566 P588 Y590	L509-Y570 HydrophobicContact CB-CD2 4.02Å; L509-Y570 HydrophobicContact CB-CE2 4.32Å; L509-Y570 HydrophobicContact CB-CG 4.33Å; L509-Y570 HydrophobicContact CD2-CD1 3.64Å; L509-Y570 HydrophobicContact CD2-CD2 4.12Å; L509-Y570 HydrophobicContact CD2-CE1 3.68Å; L509-Y570 HydrophobicContact CD2-CE2 4.19Å; L509-Y570 HydrophobicContact CD2-CG 3.84Å; L509-Y570 VanDerWaalsContact O-CD2 3.26Å; L509-Y570 WeakPolarHBondContact O-CD2 3.3Å; L509-Y570 WeakPolarHBondContact O-CE2 3.5Å; A566-Y570 WeakPolarHBondContact O-CB 3.31Å; A566-Y570 WeakPolarHBondContact O-CD2 3.43Å; A566-Y570 PolarHBondContact O-N 2.87Å; Y570-P588 HydrophobicContact CD1-CG 4.42Å; Y570-Y590 WeakPolarHBondContact O-CE1 3.2Å
571	C	98.8	Very high	98.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-23.7	176.3	-63.9	0	0	0	0	112.8	L536 I567 F577 S578	L536-C571 HydrophobicContact CD2-CB 3.62Å; I567-C571 HydrophobicContact CG2-CB 4.25Å; I567-C571 WeakPolarHBondContact O-CA 3.38Å; I567-C571 WeakPolarHBondContact O-CB 3.38Å; I567-C571 PolarHBondContact O-N 2.86Å; C571-F577 HydrophobicContact CB-CD1 4.26Å; C571-F577 CarbonylContact O-C 3.56Å; C571-F577 WeakPolarHBondContact O-CA 3.46Å; C571-S578 WeakPolarHBondContact CB-O 3.47Å; C571-S578 PolarHBondContact O-N 2.93Å
572	R	98.8	Very high	98.6	Very high	59 Å²	59	34.2 Å²	34.2	22%	0.223	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.6	-178.7	-165	167.6	178.5	167.2	-3	112.4	E192 H196 I567 D568 F577	E192-R572 IonicContact OE1-CZ 2.67Å; E192-R572 IonicContact OE1-NH1 3.94Å; E192-R572 PolarHBondContact OE1-NH1 2.84Å; E192-R572 VanDerWaalsContact OE1-NH1 3.16Å; E192-R572 IonicContact OE1-NH2 3.33Å; E192-R572 PolarHBondContact OE1-NH2 2.88Å; E192-R572 IonicContact OE2-CZ 3.7Å; E192-R572 IonicContact OE2-NH1 2.72Å; E192-R572 PolarHBondContact OE2-NH1 2.92Å; E192-R572 IonicContact OE2-NH2 3.6Å; H196-R572 VanDerWaalsContact CB-NH2 3.31Å; H196-R572 PolarHBondContact CE1-NE 2.85Å; H196-R572 PolarHBondContact ND1-NE 3.04Å; H196-R572 PolarHBondContact ND1-NH2 2.86Å; I567-R572 PolarHBondContact O-N 3.46Å; D568-R572 WeakPolarHBondContact O-CB 3.42Å; D568-R572 WeakPolarHBondContact OD1-CD 3.33Å; D568-R572 IonicContact OD1-CZ 2.81Å; D568-R572 IonicContact OD1-NE 2.66Å; D568-R572 IonicContact OD1-NH1 2.99Å; D568-R572 PolarHBondContact OD1-NH1 2.86Å; R572-F577 HydrophobicContact CB-CD1 3.83Å; R572-F577 HydrophobicContact CB-CE1 3.55Å; R572-F577 HydrophobicContact CB-CZ 4.12Å; R572-F577 HydrophobicContact CG-CD1 4.24Å; R572-F577 HydrophobicContact CG-CE1 3.79Å; R572-F577 HydrophobicContact CG-CE2 4.3Å; R572-F577 HydrophobicContact CG-CZ 3.82Å
573	V	98.5	Very high	98.6	Very high	25 Å²	25	31.2 Å²	31.2	15%	0.152	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	172.1	176.4	-63.6	0	0	0	0	111.2	H196 P213 L214 G575 G576 Y590	H196-V573 PolarHBondContact CE1-O 3.18Å; H196-V573 VanDerWaalsContact CE1-O 3.25Å; H196-V573 PolarHBondContact NE2-O 3.35Å; P213-V573 HydrophobicContact CB-CG2 3.69Å; P213-V573 HydrophobicContact CG-CG2 4.1Å; L214-V573 HydrophobicContact CD1-CG1 4.08Å; L214-V573 HydrophobicContact CD1-CG2 4.14Å; L214-V573 HydrophobicContact CG-CG1 4.45Å; V573-G575 PolarHBondContact O-N 2.72Å; V573-G576 WeakPolarHBondContact CG2-O 3.5Å; V573-G576 PolarHBondContact N-O 2.86Å; V573-G576 PolarHBondContact O-N 2.77Å; V573-Y590 HydrophobicContact CG1-CD1 4.4Å; V573-Y590 HydrophobicContact CG1-CE1 4.02Å; V573-Y590 HydrophobicContact CG1-CE2 4.46Å
574	S	98	Very high	98.6	Very high	98 Å²	98	33.7 Å²	33.7	69%	0.685	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	8.9	-175	70.5	0	0	0	0	115.8	K216	K216-S574 VanDerWaalsContact CE-O 3.26Å; K216-S574 WeakPolarHBondContact CE-O 3.25Å; K216-S574 PolarHBondContact NZ-O 3.26Å
575	G	98.1	Very high	98.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152.9	34.5	179.1	0	0	0	0	0	112.6	S200 L211 P213 V573	S200-G575 WeakPolarHBondContact CB-O 3.31Å; S200-G575 VanDerWaalsContact OG-C 3.28Å; L211-G575 VanDerWaalsContact CD2-O 3.31Å; L211-G575 WeakPolarHBondContact CD2-O 3.43Å; P213-G575 WeakPolarHBondContact CA-O 3.2Å; P213-G575 WeakPolarHBondContact CB-O 3.39Å; V573-G575 PolarHBondContact O-N 2.72Å
576	G	98.6	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.2	-149.3	176.6	0	0	0	0	0	113.1	H196 S200 V573	H196-G576 PolarHBondContact NE2-O 2.73Å; H196-G576 VanDerWaalsContact NE2-O 3.12Å; S200-G576 PolarHBondContact OG-N 2.92Å; V573-G576 WeakPolarHBondContact CG2-O 3.5Å; V573-G576 PolarHBondContact N-O 2.86Å; V573-G576 PolarHBondContact O-N 2.77Å
577	F	98.8	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.7	172.6	-70.3	-101.5	0	0	0	110.2	M193 H196 A197 P213 L536 I567 C571 R572 Q594 F598	M193-F577 HydrophobicContact CB-CE2 4.34Å; M193-F577 HydrophobicContact CB-CZ 3.9Å; M193-F577 HydrophobicContact CE-CE1 3.96Å; M193-F577 HydrophobicContact CE-CZ 4.05Å; M193-F577 HydrophobicContact CG-CZ 4.02Å; M193-F577 WeakPolarHBondContact O-CE2 3.3Å; H196-F577 HydrophobicContact CB-CE2 4.38Å; H196-F577 AromaticContact CD2-CD2 3.86Å; H196-F577 AromaticContact CD2-CE2 3.48Å; H196-F577 VanDerWaalsContact CD2-CE2 3.48Å; H196-F577 WeakPolarHBondContact CD2-CE2 3.36Å; A197-F577 HydrophobicContact CB-CD2 3.96Å; A197-F577 HydrophobicContact CB-CE2 4.21Å; P213-F577 WeakPolarHBondContact CG-O 3.36Å; L536-F577 HydrophobicContact CD1-CB 4.04Å; I567-F577 HydrophobicContact CG2-CD1 3.8Å; I567-F577 HydrophobicContact CG2-CE1 3.84Å; C571-F577 HydrophobicContact CB-CD1 4.26Å; C571-F577 CarbonylContact O-C 3.56Å; C571-F577 WeakPolarHBondContact O-CA 3.46Å; R572-F577 HydrophobicContact CB-CD1 3.83Å; R572-F577 HydrophobicContact CB-CE1 3.55Å; R572-F577 HydrophobicContact CB-CZ 4.12Å; R572-F577 HydrophobicContact CG-CD1 4.24Å; R572-F577 HydrophobicContact CG-CE1 3.79Å; R572-F577 HydrophobicContact CG-CE2 4.3Å; R572-F577 HydrophobicContact CG-CZ 3.82Å; F577-Q594 VanDerWaalsContact O-CA 3.31Å; F577-Q594 WeakPolarHBondContact O-CA 3.21Å; F577-Q594 WeakPolarHBondContact O-CB 3.16Å; F577-Q594 WeakPolarHBondContact O-CG 3.36Å; F577-F598 HydrophobicContact CB-CD1 4.09Å; F577-F598 HydrophobicContact CB-CE1 3.64Å; F577-F598 HydrophobicContact CB-CZ 4.12Å; F577-F598 HydrophobicContact CD1-CE1 4.02Å; F577-F598 AromaticContact CD1-CZ 3.81Å; F577-F598 HydrophobicContact CD1-CZ 3.81Å; F577-F598 HydrophobicContact CD2-CD1 4.4Å; F577-F598 AromaticContact CD2-CE1 3.42Å; F577-F598 HydrophobicContact CD2-CE1 3.42Å; F577-F598 VanDerWaalsContact CD2-CE1 3.42Å; F577-F598 AromaticContact CD2-CZ 4Å; F577-F598 HydrophobicContact CD2-CZ 4Å; F577-F598 HydrophobicContact CE1-CZ 4.14Å; F577-F598 AromaticContact CE2-CE1 3.98Å; F577-F598 HydrophobicContact CE2-CE1 3.98Å; F577-F598 HydrophobicContact CE2-CZ 4.31Å; F577-F598 HydrophobicContact CG-CD1 4.35Å; F577-F598 AromaticContact CG-CE1 3.43Å; F577-F598 HydrophobicContact CG-CE1 3.43Å; F577-F598 VanDerWaalsContact CG-CE1 3.43Å; F577-F598 AromaticContact CG-CZ 3.72Å; F577-F598 HydrophobicContact CG-CZ 3.72Å; F577-F598 HydrophobicContact CZ-CZ 4.39Å
578	S	98.7	Very high	97.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.			trans	-125.1	144.5	-179.1	-158.7	0	0	0	0	111.1	C571 D591 D592 V593	C571-S578 WeakPolarHBondContact CB-O 3.47Å; C571-S578 PolarHBondContact O-N 2.93Å; S578-D591 PolarHBondContact OG-OD1 2.93Å; S578-D592 VanDerWaalsContact OG-CA 3.26Å; S578-D592 WeakPolarHBondContact OG-CA 3.18Å; S578-D592 PolarHBondContact OG-N 3.06Å; S578-V593 WeakPolarHBondContact CA-O 3.04Å; S578-V593 PolarHBondContact OG-N 3.09Å
579	G	98.4	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.			trans	-62.5	160.2	166.6	0	0	0	0	0	113	Y534 Y590 D591 V593	Y534-G579 CarbonylContact O-C 3.56Å; Y534-G579 WeakPolarHBondContact O-CA 3.35Å; G579-Y590 CarbonylContact O-C 3.59Å; G579-Y590 VanDerWaalsContact O-CA 3.3Å; G579-Y590 WeakPolarHBondContact O-CA 3.36Å; G579-D591 WeakPolarHBondContact CA-OD1 3.48Å; G579-D591 WeakPolarHBondContact CA-OD2 3.43Å; G579-D591 PolarHBondContact N-OD1 3.38Å; G579-D591 PolarHBondContact O-N 3.14Å; G579-D591 VanDerWaalsContact O-OD1 3.09Å; G579-V593 PolarHBondContact N-O 3.43Å
580	V	98.4	Very high	97.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-122.1	138.9	-177.2	-65.5	0	0	0	0	111.1	L509 L511 Y533 Y534 V583 P588 Y590	L509-V580 HydrophobicContact CD1-CB 4.33Å; L509-V580 HydrophobicContact CD1-CG2 3.91Å; L511-V580 HydrophobicContact CD1-CG2 4.41Å; Y533-V580 CarbonylContact C-O 3.15Å; Y533-V580 VanDerWaalsContact CA-O 3.23Å; Y533-V580 WeakPolarHBondContact CA-O 3.34Å; Y533-V580 WeakPolarHBondContact CB-O 3.49Å; Y534-V580 HydrophobicContact CD1-CG2 4.43Å; Y534-V580 PolarHBondContact N-O 3.3Å; Y534-V580 PolarHBondContact O-N 2.87Å; V580-V583 HydrophobicContact CG2-CG1 4.05Å; V580-P588 HydrophobicContact CB-CB 4.31Å; V580-P588 HydrophobicContact CG1-CB 3.79Å; V580-Y590 HydrophobicContact CG1-CD1 4.05Å; V580-Y590 HydrophobicContact CG1-CE1 4.16Å
581	K	98.3	Very high	97.3	Very high	106 Å²	106	39.1 Å²	39.1	46%	0.461	21%	0.214	S	C	.	.	S	Bend	trans	-86.1	-16.6	-169.6	-71.5	166.4	170.7	148.3	0	115.5	T589 Y590	K581-T589 WeakPolarHBondContact CB-O 3.33Å; K581-T589 PolarHBondContact N-O 3.39Å; K581-Y590 WeakPolarHBondContact CE-O 3.33Å; K581-Y590 PolarHBondContact NZ-O 2.82Å
582	D	98.4	Very high	97.3	Very high	21 Å²	21	40.7 Å²	40.7	11%	0.112	22%	0.222	C	C	.	.			trans	-151.9	106.1	176.6	-168.4	-33.4	0	0	0	109.9	Q529 K532 Y584 S585	Q529-D582 PolarHBondContact NE2-OD2 3.28Å; K532-D582 VanDerWaalsContact CD-CG 3.49Å; K532-D582 WeakPolarHBondContact CD-OD2 3.38Å; K532-D582 IonicContact NZ-OD1 2.67Å; K532-D582 IonicContact NZ-OD2 3.39Å; K532-D582 PolarHBondContact NZ-OD2 3.01Å; K532-D582 WeakPolarHBondContact O-CA 3.48Å; D582-Y584 PolarHBondContact O-N 3.29Å; D582-Y584 WeakPolarHBondContact OD1-CA 3.43Å; D582-Y584 WeakPolarHBondContact OD1-CB 3.47Å; D582-Y584 PolarHBondContact OD1-N 2.66Å; D582-S585 PolarHBondContact O-N 2.85Å; D582-S585 PolarHBondContact OD1-N 3.18Å
583	V	98.5	Very high	97.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5	179.3	-60.7	0	0	0	0	114.4	T507 V508 L509 L511 P513 K532 V580	T507-V583 HydrophobicContact CG2-CB 4.28Å; T507-V583 HydrophobicContact CG2-CG2 3.6Å; V508-V583 PolarHBondContact N-O 3.04Å; L509-V583 PolarHBondContact N-O 3Å; L509-V583 VanDerWaalsContact N-O 3.11Å; L511-V583 HydrophobicContact CB-CG1 4.09Å; L511-V583 VanDerWaalsContact O-CB 3.3Å; L511-V583 WeakPolarHBondContact O-CB 3.27Å; L511-V583 WeakPolarHBondContact O-CG1 3.16Å; L511-V583 WeakPolarHBondContact O-CG2 3.25Å; P513-V583 HydrophobicContact CB-CG2 3.97Å; K532-V583 PolarHBondContact O-N 2.98Å; V580-V583 HydrophobicContact CG2-CG1 4.05Å
584	Y	98.1	Very high	97.2	Very high	54 Å²	54	37.3 Å²	37.3	21%	0.212	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.6	174.9	-54.2	-87	0	0	0	112.6	R506 T507 V508 P513 V525 A526 K532 D582	R506-Y584 WeakPolarHBondContact O-CE1 3.46Å; T507-Y584 HydrophobicContact CG2-CD1 4.48Å; T507-Y584 HydrophobicContact CG2-CE1 3.79Å; T507-Y584 HydrophobicContact CG2-CE2 4.48Å; V508-Y584 WeakPolarHBondContact CG2-O 3.39Å; P513-Y584 HydrophobicContact CB-CE2 4.45Å; V525-Y584 WeakPolarHBondContact CA-OH 3.43Å; V525-Y584 HydrophobicContact CG1-CE1 4.3Å; A526-Y584 HydrophobicContact CB-CE2 3.99Å; A526-Y584 PolarHBondContact N-OH 2.84Å; K532-Y584 HydrophobicContact CB-CD2 4.34Å; K532-Y584 HydrophobicContact CB-CE2 4.46Å; K532-Y584 HydrophobicContact CD-CD2 4.01Å; K532-Y584 HydrophobicContact CG-CD2 4.01Å; K532-Y584 HydrophobicContact CG-CE2 4.08Å; D582-Y584 PolarHBondContact O-N 3.29Å; D582-Y584 WeakPolarHBondContact OD1-CA 3.43Å; D582-Y584 WeakPolarHBondContact OD1-CB 3.47Å; D582-Y584 PolarHBondContact OD1-N 2.66Å
585	S	96.4	Very high	97.2	Very high	40 Å²	40	34.2 Å²	34.2	28%	0.28	18%	0.183	S	C	.	.			trans	-87.8	127.3	172	-174.4	0	0	0	0	111.1	L509 D582 N587	L509-S585 VanDerWaalsContact CD2-O 3.29Å; L509-S585 WeakPolarHBondContact CD2-O 3.33Å; D582-S585 PolarHBondContact O-N 2.85Å; D582-S585 PolarHBondContact OD1-N 3.18Å; S585-N587 WeakPolarHBondContact CB-O 3.16Å; S585-N587 PolarHBondContact O-N 3.35Å; S585-N587 PolarHBondContact OG-N 3.36Å; S585-N587 PolarHBondContact OG-O 3.43Å
586	S	93.1	Very high	97.2	Very high	84 Å²	84	34.2 Å²	34.2	59%	0.587	18%	0.183	S	C	*	.	S	Bend	trans	-66.5	-19.2	170.3	54.7	0	0	0	0	113.5	P588	S586-P588 WeakPolarHBondContact O-CD 3.39Å
587	N	93.1	Very high	97.2	Very high	126 Å²	126	34.9 Å²	34.9	67%	0.674	19%	0.186	S	C	*	.	S	Bend	trans	-109.9	94.2	171	-67	-41.1	0	0	0	108.1	S585	S585-N587 WeakPolarHBondContact CB-O 3.16Å; S585-N587 PolarHBondContact O-N 3.35Å; S585-N587 PolarHBondContact OG-N 3.36Å; S585-N587 PolarHBondContact OG-O 3.43Å
588	P	90.4	Very high	97.2	Very high	27 Å²	27	34.9 Å²	34.9	18%	0.175	19%	0.186	C	C	.	.			trans	-62.2	144.3	-178.8	23.3	-32.6	0	0	0	111.5	L509 Y570 V580 S586	L509-P588 HydrophobicContact CD1-CB 3.97Å; Y570-P588 HydrophobicContact CD1-CG 4.42Å; V580-P588 HydrophobicContact CB-CB 4.31Å; V580-P588 HydrophobicContact CG1-CB 3.79Å; S586-P588 WeakPolarHBondContact O-CD 3.39Å
589	T	96.9	Very high	97.2	Very high	78 Å²	78	34.9 Å²	34.9	48%	0.479	19%	0.186	S	C	.	.			trans	-115	123.7	169.5	55.6	0	0	0	0	109.4	K581	K581-T589 WeakPolarHBondContact CB-O 3.33Å; K581-T589 PolarHBondContact N-O 3.39Å
590	Y	98.3	Very high	97.2	Very high	72 Å²	72	34.9 Å²	34.9	28%	0.282	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-80.8	152.4	-169.3	-57.2	-76.9	0	0	0	113.1	L214 Y570 V573 G579 V580 K581	L214-Y590 HydrophobicContact CD1-CD2 4.4Å; L214-Y590 HydrophobicContact CD1-CG 3.99Å; L214-Y590 HydrophobicContact CD2-CD2 3.74Å; L214-Y590 HydrophobicContact CD2-CG 4.06Å; Y570-Y590 WeakPolarHBondContact O-CE1 3.2Å; V573-Y590 HydrophobicContact CG1-CD1 4.4Å; V573-Y590 HydrophobicContact CG1-CE1 4.02Å; V573-Y590 HydrophobicContact CG1-CE2 4.46Å; G579-Y590 CarbonylContact O-C 3.59Å; G579-Y590 VanDerWaalsContact O-CA 3.3Å; G579-Y590 WeakPolarHBondContact O-CA 3.36Å; V580-Y590 HydrophobicContact CG1-CD1 4.05Å; V580-Y590 HydrophobicContact CG1-CE1 4.16Å; K581-Y590 WeakPolarHBondContact CE-O 3.33Å; K581-Y590 PolarHBondContact NZ-O 2.82Å
591	D	97.4	Very high	97.3	Very high	31 Å²	31	35.3 Å²	35.3	17%	0.166	19%	0.188	C	C	.	.			trans	-81.7	-18.4	170.7	68.1	-6.6	0	0	0	114.2	S578 G579 V593	S578-D591 PolarHBondContact OG-OD1 2.93Å; G579-D591 WeakPolarHBondContact CA-OD1 3.48Å; G579-D591 WeakPolarHBondContact CA-OD2 3.43Å; G579-D591 PolarHBondContact N-OD1 3.38Å; G579-D591 PolarHBondContact O-N 3.14Å; G579-D591 VanDerWaalsContact O-OD1 3.09Å; D591-V593 PolarHBondContact OD1-N 3Å
592	D	97.9	Very high	97.3	Very high	33 Å²	33	30.3 Å²	30.3	18%	0.176	17%	0.166	C	C	.	.			trans	59.9	41.5	-170.5	-174.8	43.2	0	0	0	112.6	K212 L214 A215 S578	K212-D592 WeakPolarHBondContact CA-O 3.3Å; K212-D592 WeakPolarHBondContact CB-O 3.37Å; K212-D592 WeakPolarHBondContact CB-OD1 3.48Å; K212-D592 WeakPolarHBondContact CD-OD2 3.4Å; K212-D592 WeakPolarHBondContact CG-O 3.48Å; K212-D592 PolarHBondContact NZ-O 3.44Å; K212-D592 IonicContact NZ-OD2 2.85Å; L214-D592 WeakPolarHBondContact CA-OD1 3.35Å; L214-D592 HydrophobicContact CB-CB 4.41Å; L214-D592 WeakPolarHBondContact CB-OD1 3.2Å; L214-D592 HydrophobicContact CD1-CB 4.41Å; L214-D592 PolarHBondContact N-OD1 2.9Å; A215-D592 VanDerWaalsContact CB-OD2 3.23Å; A215-D592 WeakPolarHBondContact CB-OD2 3.33Å; A215-D592 PolarHBondContact N-OD1 3.25Å; S578-D592 VanDerWaalsContact OG-CA 3.26Å; S578-D592 WeakPolarHBondContact OG-CA 3.18Å; S578-D592 PolarHBondContact OG-N 3.06Å
593	V	97.6	Very high	97.3	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.079	16%	0.161	C	C	.	.			trans	-134.1	128.2	169.8	-174.4	0	0	0	0	111.4	L211 S578 G579 D591 Q595	L211-V593 WeakPolarHBondContact O-CA 3.45Å; S578-V593 WeakPolarHBondContact CA-O 3.04Å; S578-V593 PolarHBondContact OG-N 3.09Å; G579-V593 PolarHBondContact N-O 3.43Å; D591-V593 PolarHBondContact OD1-N 3Å; V593-Q595 HydrophobicContact CG1-CG 4.28Å
594	Q	98.4	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-96.8	103.6	160.2	-170.8	176.4	-82.4	0	0	107.2	A197 L211 P213 F577 F598 L599	A197-Q594 PolarHBondContact O-NE2 2.8Å; A197-Q594 VanDerWaalsContact O-NE2 3.08Å; L211-Q594 HydrophobicContact CB-CB 4.07Å; L211-Q594 HydrophobicContact CD2-CB 4.33Å; L211-Q594 HydrophobicContact CG-CB 4.38Å; L211-Q594 PolarHBondContact O-N 2.86Å; P213-Q594 HydrophobicContact CG-CB 4.41Å; F577-Q594 VanDerWaalsContact O-CA 3.31Å; F577-Q594 WeakPolarHBondContact O-CA 3.21Å; F577-Q594 WeakPolarHBondContact O-CB 3.16Å; F577-Q594 WeakPolarHBondContact O-CG 3.36Å; Q594-F598 HydrophobicContact CG-CD1 4.48Å; Q594-L599 HydrophobicContact CG-CD1 4.12Å
595	Q	97.6	Very high	97.4	Very high	33 Å²	33	26.8 Å²	26.8	15%	0.154	15%	0.151	C	C	.	.			trans	-68.7	147.5	178.9	-54.1	-80	-33.1	0	0	109.8	I535 V593 F597 F598	I535-Q595 WeakPolarHBondContact O-CG 3.49Å; V593-Q595 HydrophobicContact CG1-CG 4.28Å; Q595-F597 HydrophobicContact CB-CD1 4.07Å; Q595-F597 HydrophobicContact CB-CD2 3.95Å; Q595-F597 HydrophobicContact CB-CE1 3.72Å; Q595-F597 HydrophobicContact CB-CE2 3.6Å; Q595-F597 HydrophobicContact CB-CG 4.16Å; Q595-F597 HydrophobicContact CB-CZ 3.47Å; Q595-F597 VanDerWaalsContact CB-CZ 3.47Å; Q595-F597 HydrophobicContact CG-CE1 3.99Å; Q595-F597 HydrophobicContact CG-CE2 3.85Å; Q595-F597 HydrophobicContact CG-CZ 3.44Å; Q595-F597 VanDerWaalsContact CG-CZ 3.44Å; Q595-F598 WeakPolarHBondContact O-CB 3.24Å; Q595-F598 PolarHBondContact O-N 3.11Å
596	S	98.1	Very high	97.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-37.2	-179.1	62.4	0	0	0	0	113	T232 D235 R276 F598 L599 A600	T232-S596 WeakPolarHBondContact OG1-CB 3.4Å; D235-S596 WeakPolarHBondContact OD2-CB 3.27Å; D235-S596 PolarHBondContact OD2-OG 2.91Å; R276-S596 PolarHBondContact NH1-OG 2.84Å; R276-S596 VanDerWaalsContact NH1-OG 3.12Å; S596-F598 PolarHBondContact O-N 2.66Å; S596-L599 PolarHBondContact O-N 2.81Å; S596-A600 PolarHBondContact O-N 2.86Å
597	F	98.5	Very high	97.8	Very high	13 Å²	13	21 Å²	21	6%	0.057	11%	0.11	C	C	.	.	H	α-helix	trans	-57.7	-18.6	173.2	54.1	-111.4	0	0	0	114.5	I535 R537 Q595 L599 E601 T602 E626	I535-F597 HydrophobicContact CD1-CZ 4.31Å; I535-F597 HydrophobicContact CG1-CZ 4.35Å; I535-F597 WeakPolarHBondContact O-CE2 3.23Å; R537-F597 HydrophobicContact CG-CE2 4.31Å; Q595-F597 HydrophobicContact CB-CD1 4.07Å; Q595-F597 HydrophobicContact CB-CD2 3.95Å; Q595-F597 HydrophobicContact CB-CE1 3.72Å; Q595-F597 HydrophobicContact CB-CE2 3.6Å; Q595-F597 HydrophobicContact CB-CG 4.16Å; Q595-F597 HydrophobicContact CB-CZ 3.47Å; Q595-F597 VanDerWaalsContact CB-CZ 3.47Å; Q595-F597 HydrophobicContact CG-CE1 3.99Å; Q595-F597 HydrophobicContact CG-CE2 3.85Å; Q595-F597 HydrophobicContact CG-CZ 3.44Å; Q595-F597 VanDerWaalsContact CG-CZ 3.44Å; F597-L599 VanDerWaalsContact C-N 3.27Å; F597-L599 PolarHBondContact O-N 2.71Å; F597-E601 HydrophobicContact CB-CB 4.48Å; F597-E601 HydrophobicContact CB-CG 3.93Å; F597-E601 VanDerWaalsContact CB-OE1 3.31Å; F597-E601 WeakPolarHBondContact CB-OE1 3.42Å; F597-E601 WeakPolarHBondContact O-CA 3.35Å; F597-E601 VanDerWaalsContact O-CB 3.28Å; F597-E601 WeakPolarHBondContact O-CB 3.42Å; F597-E601 PolarHBondContact O-N 3.06Å; F597-T602 PolarHBondContact O-N 2.86Å; F597-T602 VanDerWaalsContact O-N 3.08Å; F597-E626 WeakPolarHBondContact CB-OE1 3.44Å
598	F	98.9	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-64	-37.4	172.3	-179.6	-114	0	0	0	111.5	A197 L536 I567 F577 Q594 Q595 S596 T602 L603	A197-F598 HydrophobicContact CB-CD1 4.45Å; A197-F598 HydrophobicContact CB-CE1 4.21Å; L536-F598 HydrophobicContact CB-CB 3.95Å; L536-F598 HydrophobicContact CB-CD2 3.68Å; L536-F598 HydrophobicContact CB-CG 3.99Å; L536-F598 HydrophobicContact CD1-CB 4Å; L536-F598 HydrophobicContact CD1-CD1 4.24Å; L536-F598 HydrophobicContact CD1-CD2 4.19Å; L536-F598 HydrophobicContact CD1-CG 3.86Å; L536-F598 HydrophobicContact CG-CD2 4.36Å; L536-F598 HydrophobicContact CG-CG 4.48Å; I567-F598 HydrophobicContact CG2-CE2 3.76Å; I567-F598 HydrophobicContact CG2-CZ 3.8Å; F577-F598 HydrophobicContact CB-CD1 4.09Å; F577-F598 HydrophobicContact CB-CE1 3.64Å; F577-F598 HydrophobicContact CB-CZ 4.12Å; F577-F598 HydrophobicContact CD1-CE1 4.02Å; F577-F598 AromaticContact CD1-CZ 3.81Å; F577-F598 HydrophobicContact CD1-CZ 3.81Å; F577-F598 HydrophobicContact CD2-CD1 4.4Å; F577-F598 AromaticContact CD2-CE1 3.42Å; F577-F598 HydrophobicContact CD2-CE1 3.42Å; F577-F598 VanDerWaalsContact CD2-CE1 3.42Å; F577-F598 AromaticContact CD2-CZ 4Å; F577-F598 HydrophobicContact CD2-CZ 4Å; F577-F598 HydrophobicContact CE1-CZ 4.14Å; F577-F598 AromaticContact CE2-CE1 3.98Å; F577-F598 HydrophobicContact CE2-CE1 3.98Å; F577-F598 HydrophobicContact CE2-CZ 4.31Å; F577-F598 HydrophobicContact CG-CD1 4.35Å; F577-F598 AromaticContact CG-CE1 3.43Å; F577-F598 HydrophobicContact CG-CE1 3.43Å; F577-F598 VanDerWaalsContact CG-CE1 3.43Å; F577-F598 AromaticContact CG-CZ 3.72Å; F577-F598 HydrophobicContact CG-CZ 3.72Å; F577-F598 HydrophobicContact CZ-CZ 4.39Å; Q594-F598 HydrophobicContact CG-CD1 4.48Å; Q595-F598 WeakPolarHBondContact O-CB 3.24Å; Q595-F598 PolarHBondContact O-N 3.11Å; S596-F598 PolarHBondContact O-N 2.66Å; F598-T602 HydrophobicContact CD2-CG2 3.76Å; F598-T602 HydrophobicContact CE2-CG2 3.83Å; F598-L603 HydrophobicContact CD1-CD1 4.01Å; F598-L603 HydrophobicContact CD1-CG 4.49Å; F598-L603 HydrophobicContact CE1-CD1 3.57Å; F598-L603 HydrophobicContact CE1-CD2 4.4Å; F598-L603 HydrophobicContact CE1-CG 4.04Å; F598-L603 HydrophobicContact CE2-CD2 4.25Å; F598-L603 HydrophobicContact CE2-CG 4.08Å; F598-L603 HydrophobicContact CZ-CD1 3.87Å; F598-L603 HydrophobicContact CZ-CD2 3.85Å; F598-L603 HydrophobicContact CZ-CG 3.83Å; F598-L603 WeakPolarHBondContact O-CB 3.45Å; F598-L603 VanDerWaalsContact O-CG 3.3Å; F598-L603 WeakPolarHBondContact O-CG 3.45Å; F598-L603 PolarHBondContact O-N 2.93Å
599	L	98.9	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-85	-39.3	176.2	-68.6	86	0	0	0	111.3	M194 A197 W198 T232 A236 T239 Q594 S596 F597	M194-L599 HydrophobicContact CE-CB 4.02Å; M194-L599 HydrophobicContact CE-CD2 4.02Å; M194-L599 HydrophobicContact CE-CG 4.35Å; M194-L599 HydrophobicContact SD-CB 3.95Å; M194-L599 HydrophobicContact SD-CD2 4.02Å; M194-L599 HydrophobicContact SD-CG 3.95Å; A197-L599 HydrophobicContact CB-CD1 4.29Å; A197-L599 HydrophobicContact CB-CD2 4.22Å; A197-L599 HydrophobicContact CB-CG 4.15Å; W198-L599 HydrophobicContact CB-CD2 4.46Å; W198-L599 HydrophobicContact CE3-CD2 4.21Å; T232-L599 HydrophobicContact CG2-CD1 4.24Å; T232-L599 HydrophobicContact CG2-CD2 4.07Å; A236-L599 HydrophobicContact CB-CB 4.1Å; A236-L599 HydrophobicContact CB-CD2 4.18Å; T239-L599 WeakPolarHBondContact CB-O 3.39Å; T239-L599 WeakPolarHBondContact CG2-O 3.31Å; T239-L599 PolarHBondContact OG1-O 3.43Å; Q594-L599 HydrophobicContact CG-CD1 4.12Å; S596-L599 PolarHBondContact O-N 2.81Å; F597-L599 VanDerWaalsContact C-N 3.27Å; F597-L599 PolarHBondContact O-N 2.71Å
600	A	98.8	Very high	98.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-70.1	-40.9	-179.5	0	0	0	0	0	112.6	D235 T239 S596 K604 E626	D235-A600 HydrophobicContact CB-CB 3.91Å; D235-A600 VanDerWaalsContact O-CA 3.3Å; D235-A600 WeakPolarHBondContact O-CA 3.26Å; D235-A600 WeakPolarHBondContact O-CB 3.4Å; T239-A600 PolarHBondContact OG1-O 3Å; S596-A600 PolarHBondContact O-N 2.86Å; A600-K604 WeakPolarHBondContact O-CB 3.1Å; A600-K604 WeakPolarHBondContact O-CD 3.28Å; A600-K604 WeakPolarHBondContact O-CE 3.13Å; A600-K604 PolarHBondContact O-NZ 3.38Å; A600-E626 HydrophobicContact CB-CG 4.25Å
601	E	98.9	Very high	98.5	Very high	11 Å²	11	6.6 Å²	6.6	5%	0.051	3%	0.033	C	C	.	.	I	π-helix	trans	-119.8	-61.4	-166	-48.2	-161.6	-104.6	0	0	112.5	P538 F597 L603 K604 Y605 E626 A627	P538-E601 HydrophobicContact CB-CB 3.53Å; P538-E601 HydrophobicContact CG-CB 3.7Å; P538-E601 HydrophobicContact CG-CG 4.26Å; P538-E601 WeakPolarHBondContact CG-OE1 3.44Å; F597-E601 HydrophobicContact CB-CB 4.48Å; F597-E601 HydrophobicContact CB-CG 3.93Å; F597-E601 VanDerWaalsContact CB-OE1 3.31Å; F597-E601 WeakPolarHBondContact CB-OE1 3.42Å; F597-E601 WeakPolarHBondContact O-CA 3.35Å; F597-E601 VanDerWaalsContact O-CB 3.28Å; F597-E601 WeakPolarHBondContact O-CB 3.42Å; F597-E601 PolarHBondContact O-N 3.06Å; E601-L603 VanDerWaalsContact C-N 3.35Å; E601-L603 PolarHBondContact O-N 3.46Å; E601-K604 PolarHBondContact O-N 3.1Å; E601-Y605 HydrophobicContact CB-CD2 4.16Å; E601-Y605 HydrophobicContact CB-CE2 4.03Å; E601-Y605 WeakPolarHBondContact O-CD2 3.31Å; E601-Y605 PolarHBondContact O-N 2.93Å; E601-E626 VanDerWaalsContact CD-CA 3.46Å; E601-E626 HydrophobicContact CG-CG 4.03Å; E601-E626 WeakPolarHBondContact OE2-CA 3.49Å; E601-A627 HydrophobicContact CB-CB 3.86Å; E601-A627 HydrophobicContact CG-CB 3.65Å; E601-A627 PolarHBondContact OE2-N 3.5Å
602	T	98.9	Very high	98.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	I	π-helix	trans	-60.3	-45	-168.6	-57.7	0	0	0	0	111.3	L536 P538 I541 I567 F597 F598 L606	L536-T602 PolarHBondContact O-OG1 3.21Å; P538-T602 WeakPolarHBondContact CA-OG1 3.42Å; I541-T602 HydrophobicContact CD1-CG2 4.01Å; I567-T602 HydrophobicContact CD1-CG2 4.01Å; F597-T602 PolarHBondContact O-N 2.86Å; F597-T602 VanDerWaalsContact O-N 3.08Å; F598-T602 HydrophobicContact CD2-CG2 3.76Å; F598-T602 HydrophobicContact CE2-CG2 3.83Å; T602-L606 WeakPolarHBondContact O-CB 3.36Å; T602-L606 VanDerWaalsContact O-CG 3.25Å; T602-L606 WeakPolarHBondContact O-CG 3.46Å; T602-L606 PolarHBondContact O-N 2.68Å
603	L	98.9	Very high	98.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-77.3	-28.8	175.7	-66.4	172.3	0	0	0	113.2	I190 M193 M194 A197 M243 F598 E601 Y607	I190-L603 HydrophobicContact CG2-CB 4.31Å; I190-L603 HydrophobicContact CG2-CD2 3.89Å; I190-L603 VanDerWaalsContact CG2-O 3.31Å; I190-L603 WeakPolarHBondContact CG2-O 3.34Å; M193-L603 HydrophobicContact CB-CD2 3.85Å; M193-L603 HydrophobicContact CE-CD2 4.22Å; M194-L603 HydrophobicContact CB-CD1 4.04Å; M194-L603 HydrophobicContact SD-CB 4.49Å; M194-L603 HydrophobicContact SD-CD1 3.87Å; A197-L603 HydrophobicContact CB-CD1 4.44Å; M243-L603 HydrophobicContact CE-CB 4.14Å; M243-L603 VanDerWaalsContact CE-O 3.29Å; M243-L603 WeakPolarHBondContact CE-O 3.35Å; F598-L603 HydrophobicContact CD1-CD1 4.01Å; F598-L603 HydrophobicContact CD1-CG 4.49Å; F598-L603 HydrophobicContact CE1-CD1 3.57Å; F598-L603 HydrophobicContact CE1-CD2 4.4Å; F598-L603 HydrophobicContact CE1-CG 4.04Å; F598-L603 HydrophobicContact CE2-CD2 4.25Å; F598-L603 HydrophobicContact CE2-CG 4.08Å; F598-L603 HydrophobicContact CZ-CD1 3.87Å; F598-L603 HydrophobicContact CZ-CD2 3.85Å; F598-L603 HydrophobicContact CZ-CG 3.83Å; F598-L603 WeakPolarHBondContact O-CB 3.45Å; F598-L603 VanDerWaalsContact O-CG 3.3Å; F598-L603 WeakPolarHBondContact O-CG 3.45Å; F598-L603 PolarHBondContact O-N 2.93Å; E601-L603 VanDerWaalsContact C-N 3.35Å; E601-L603 PolarHBondContact O-N 3.46Å; L603-Y607 VanDerWaalsContact O-CB 3.26Å; L603-Y607 WeakPolarHBondContact O-CB 3.48Å; L603-Y607 PolarHBondContact O-N 2.97Å
604	K	98.9	Very high	98	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	6%	0.058	C	C	.	.	H	α-helix	trans	-67.8	-52	176	-173.7	-174.4	-72.5	147.6	0	110.9	D238 T239 I242 A600 E601 L606 Y607 L608 F623 A627	D238-K604 VanDerWaalsContact OD1-CE 3.28Å; D238-K604 WeakPolarHBondContact OD1-CE 3.25Å; D238-K604 IonicContact OD1-NZ 2.77Å; D238-K604 PolarHBondContact OD1-NZ 3.19Å; D238-K604 IonicContact OD2-NZ 3.78Å; D238-K604 PolarHBondContact OD2-NZ 2.97Å; T239-K604 HydrophobicContact CG2-CB 4.23Å; T239-K604 WeakPolarHBondContact OG1-CE 3.28Å; I242-K604 HydrophobicContact CD1-CD 4.24Å; I242-K604 HydrophobicContact CD1-CG 4.4Å; A600-K604 WeakPolarHBondContact O-CB 3.1Å; A600-K604 WeakPolarHBondContact O-CD 3.28Å; A600-K604 WeakPolarHBondContact O-CE 3.13Å; A600-K604 PolarHBondContact O-NZ 3.38Å; E601-K604 PolarHBondContact O-N 3.1Å; K604-L606 PolarHBondContact O-N 3.04Å; K604-Y607 PolarHBondContact O-N 3.45Å; K604-L608 HydrophobicContact CG-CD1 3.96Å; K604-L608 WeakPolarHBondContact O-CB 3.36Å; K604-L608 VanDerWaalsContact O-CG 3.3Å; K604-L608 WeakPolarHBondContact O-CG 3.41Å; K604-L608 PolarHBondContact O-N 3.05Å; K604-F623 HydrophobicContact CD-CE1 4Å; K604-A627 HydrophobicContact CD-CB 4.02Å; K604-A627 WeakPolarHBondContact CD-O 3.36Å; K604-A627 WeakPolarHBondContact CE-O 3.42Å; K604-A627 PolarHBondContact NZ-O 3.27Å
605	Y	98.9	Very high	97.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.8	-38.1	177.4	-65.5	-48.4	0	0	0	112.5	P538 E542 W545 E601 Y607 L608 L609 F623 A627	P538-Y605 HydrophobicContact CB-CD2 4.13Å; P538-Y605 HydrophobicContact CB-CE2 4.38Å; E542-Y605 HydrophobicContact CB-CD2 3.73Å; E542-Y605 HydrophobicContact CB-CE2 3.62Å; E542-Y605 HydrophobicContact CB-CG 4.28Å; E542-Y605 HydrophobicContact CG-CD2 4.23Å; E542-Y605 HydrophobicContact CG-CE1 4.17Å; E542-Y605 HydrophobicContact CG-CE2 3.71Å; E542-Y605 PolarHBondContact OE1-OH 3.09Å; W545-Y605 HydrophobicContact CD2-CD1 4.03Å; W545-Y605 AromaticContact CE3-CD1 3.42Å; W545-Y605 HydrophobicContact CE3-CD1 3.42Å; W545-Y605 VanDerWaalsContact CE3-CD1 3.42Å; W545-Y605 AromaticContact CE3-CE1 3.57Å; W545-Y605 HydrophobicContact CE3-CE1 3.57Å; W545-Y605 HydrophobicContact CH2-CE1 4.4Å; W545-Y605 AromaticContact CZ3-CD1 3.77Å; W545-Y605 HydrophobicContact CZ3-CD1 3.77Å; W545-Y605 AromaticContact CZ3-CE1 3.48Å; W545-Y605 HydrophobicContact CZ3-CE1 3.48Å; W545-Y605 VanDerWaalsContact CZ3-CE1 3.48Å; E601-Y605 HydrophobicContact CB-CD2 4.16Å; E601-Y605 HydrophobicContact CB-CE2 4.03Å; E601-Y605 WeakPolarHBondContact O-CD2 3.31Å; E601-Y605 PolarHBondContact O-N 2.93Å; Y605-Y607 PolarHBondContact O-N 3.44Å; Y605-L608 PolarHBondContact O-N 3Å; Y605-L609 VanDerWaalsContact O-CB 3.24Å; Y605-L609 WeakPolarHBondContact O-CB 3.44Å; Y605-L609 PolarHBondContact O-N 2.92Å; Y605-F623 AromaticContact CE1-CD1 3.85Å; Y605-F623 HydrophobicContact CE1-CD1 3.85Å; Y605-F623 HydrophobicContact CE1-CE1 4.29Å; Y605-A627 HydrophobicContact CD2-CB 4.35Å; Y605-A627 HydrophobicContact CE1-CB 3.94Å; Y605-A627 HydrophobicContact CE2-CB 3.56Å; Y605-A627 WeakPolarHBondContact OH-CA 3.12Å; Y605-A627 VanDerWaalsContact OH-CB 3.31Å; Y605-A627 WeakPolarHBondContact OH-CB 3.29Å
606	L	98.9	Very high	97.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.2	-43.5	170.8	-79.9	176.7	0	0	0	112.1	I190 I541 G560 A564 T602 K604 L609 F610	I190-L606 HydrophobicContact CD1-CB 4Å; I190-L606 HydrophobicContact CD1-CD1 4.07Å; I190-L606 HydrophobicContact CD1-CG 4.48Å; I190-L606 HydrophobicContact CG1-CB 3.94Å; I190-L606 HydrophobicContact CG2-CB 3.73Å; I541-L606 HydrophobicContact CD1-CD1 4.28Å; I541-L606 HydrophobicContact CD1-CD2 4.05Å; I541-L606 HydrophobicContact CD1-CG 4.07Å; I541-L606 HydrophobicContact CG1-CD2 4.5Å; I541-L606 HydrophobicContact CG2-CD2 3.73Å; I541-L606 HydrophobicContact CG2-CG 3.8Å; G560-L606 VanDerWaalsContact O-CD2 3.3Å; G560-L606 WeakPolarHBondContact O-CD2 3.37Å; A564-L606 HydrophobicContact CB-CD1 3.9Å; A564-L606 HydrophobicContact CB-CD2 4.11Å; T602-L606 WeakPolarHBondContact O-CB 3.36Å; T602-L606 VanDerWaalsContact O-CG 3.25Å; T602-L606 WeakPolarHBondContact O-CG 3.46Å; T602-L606 PolarHBondContact O-N 2.68Å; K604-L606 PolarHBondContact O-N 3.04Å; L606-L609 PolarHBondContact O-N 3.45Å; L606-F610 HydrophobicContact CD2-CE2 4.41Å; L606-F610 WeakPolarHBondContact O-CD2 3.49Å; L606-F610 PolarHBondContact O-N 3.25Å
607	Y	98.8	Very high	97.6	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.008	6%	0.057	C	C	.	.	H	α-helix	trans	-69.1	-37.7	179.6	179.1	-89.9	0	0	0	112.2	R187 R191 I242 M243 L603 K604 Y605 F610 S611 L615	R187-Y607 HydrophobicContact CG-CD2 3.47Å; R187-Y607 VanDerWaalsContact CG-CD2 3.47Å; R187-Y607 HydrophobicContact CG-CE2 3.52Å; R187-Y607 HydrophobicContact CG-CG 4.13Å; R187-Y607 VanDerWaalsContact CZ-OH 3.31Å; R187-Y607 PolarHBondContact NE-OH 3.18Å; R187-Y607 PolarHBondContact NH2-OH 3.31Å; R191-Y607 HydrophobicContact CB-CD2 4.49Å; R191-Y607 HydrophobicContact CB-CE2 4.28Å; R191-Y607 PolarHBondContact NH2-OH 2.76Å; I242-Y607 HydrophobicContact CG2-CD1 3.96Å; I242-Y607 HydrophobicContact CG2-CE1 3.75Å; I242-Y607 WeakPolarHBondContact O-CE1 3.43Å; I242-Y607 PolarHBondContact O-OH 3.25Å; M243-Y607 WeakPolarHBondContact CA-OH 3.43Å; M243-Y607 HydrophobicContact CB-CE2 4.27Å; M243-Y607 HydrophobicContact CE-CD2 4.07Å; M243-Y607 HydrophobicContact CE-CG 3.91Å; M243-Y607 HydrophobicContact CG-CD1 4.16Å; M243-Y607 HydrophobicContact CG-CD2 3.8Å; M243-Y607 HydrophobicContact CG-CE1 4.11Å; M243-Y607 HydrophobicContact CG-CE2 3.75Å; M243-Y607 HydrophobicContact CG-CG 3.99Å; M243-Y607 HydrophobicContact SD-CD2 4.16Å; M243-Y607 HydrophobicContact SD-CG 4.49Å; L603-Y607 VanDerWaalsContact O-CB 3.26Å; L603-Y607 WeakPolarHBondContact O-CB 3.48Å; L603-Y607 PolarHBondContact O-N 2.97Å; K604-Y607 PolarHBondContact O-N 3.45Å; Y605-Y607 PolarHBondContact O-N 3.44Å; Y607-F610 CarbonylContact O-C 3.55Å; Y607-F610 PolarHBondContact O-N 3.48Å; Y607-S611 WeakPolarHBondContact O-CB 3.45Å; Y607-S611 PolarHBondContact O-N 3.35Å; Y607-S611 VanDerWaalsContact O-N 3.12Å; Y607-S611 PolarHBondContact O-OG 2.98Å; Y607-L615 HydrophobicContact CE1-CD2 4.01Å
608	L	98.6	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-69.6	-37.1	175.4	-68.2	168.4	0	0	0	112.3	I242 W545 K604 Y605 F610 S611 L615 M616 F623	I242-L608 HydrophobicContact CG2-CD2 4.39Å; W545-L608 HydrophobicContact CD2-CB 4.41Å; W545-L608 HydrophobicContact CG-CB 4.4Å; W545-L608 HydrophobicContact CH2-CD1 4.24Å; W545-L608 HydrophobicContact CZ2-CB 4.3Å; W545-L608 HydrophobicContact CZ2-CD1 3.86Å; K604-L608 HydrophobicContact CG-CD1 3.96Å; K604-L608 WeakPolarHBondContact O-CB 3.36Å; K604-L608 VanDerWaalsContact O-CG 3.3Å; K604-L608 WeakPolarHBondContact O-CG 3.41Å; K604-L608 PolarHBondContact O-N 3.05Å; Y605-L608 PolarHBondContact O-N 3Å; L608-F610 VanDerWaalsContact C-N 3.26Å; L608-F610 PolarHBondContact O-N 2.94Å; L608-S611 WeakPolarHBondContact O-CB 3.48Å; L608-S611 PolarHBondContact O-N 2.66Å; L608-L615 HydrophobicContact CD2-CD2 3.82Å; L608-L615 HydrophobicContact CD2-CG 3.89Å; L608-M616 HydrophobicContact CD2-CB 4.41Å; L608-M616 HydrophobicContact CD2-CG 4.3Å; L608-F623 HydrophobicContact CD1-CE1 3.58Å; L608-F623 HydrophobicContact CD1-CZ 3.63Å
609	L	98.6	Very high	97	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.6	-33.9	173.5	175.4	62.5	0	0	0	112.8	W545 W548 R557 Y605 L606	W545-L609 HydrophobicContact CB-CB 4.4Å; W548-L609 HydrophobicContact CB-CD1 3.47Å; W548-L609 VanDerWaalsContact CB-CD1 3.47Å; W548-L609 HydrophobicContact CG-CD1 3.75Å; R557-L609 HydrophobicContact CG-CD1 3.76Å; R557-L609 HydrophobicContact CG-CG 4.07Å; R557-L609 PolarHBondContact NE-O 3.02Å; Y605-L609 VanDerWaalsContact O-CB 3.24Å; Y605-L609 WeakPolarHBondContact O-CB 3.44Å; Y605-L609 PolarHBondContact O-N 2.92Å; L606-L609 PolarHBondContact O-N 3.45Å
610	F	98.5	Very high	96.7	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	17	173.8	-56.9	-60.2	0	0	0	113.6	P178 K186 R187 I190 R557 W561 L606 Y607 L608	P178-F610 WeakPolarHBondContact CG-O 3.28Å; K186-F610 HydrophobicContact CB-CB 4.4Å; K186-F610 HydrophobicContact CB-CD1 3.92Å; K186-F610 HydrophobicContact CB-CD2 3.99Å; K186-F610 HydrophobicContact CB-CE1 4.23Å; K186-F610 HydrophobicContact CB-CE2 4.3Å; K186-F610 HydrophobicContact CB-CG 3.82Å; K186-F610 HydrophobicContact CB-CZ 4.42Å; K186-F610 HydrophobicContact CD-CD1 4.1Å; K186-F610 HydrophobicContact CD-CE1 3.81Å; K186-F610 HydrophobicContact CD-CZ 4.29Å; R187-F610 HydrophobicContact CB-CB 3.78Å; I190-F610 HydrophobicContact CG1-CD2 4.09Å; R557-F610 HydrophobicContact CB-CE1 3.96Å; R557-F610 HydrophobicContact CG-CD1 4.13Å; R557-F610 HydrophobicContact CG-CE1 3.99Å; R557-F610 WeakPolarHBondContact O-CE1 3.24Å; R557-F610 WeakPolarHBondContact O-CZ 3.49Å; W561-F610 HydrophobicContact CB-CE1 4.45Å; W561-F610 HydrophobicContact CB-CZ 3.81Å; W561-F610 HydrophobicContact CE3-CE2 4.16Å; W561-F610 HydrophobicContact CE3-CZ 4.26Å; L606-F610 HydrophobicContact CD2-CE2 4.41Å; L606-F610 WeakPolarHBondContact O-CD2 3.49Å; L606-F610 PolarHBondContact O-N 3.25Å; Y607-F610 CarbonylContact O-C 3.55Å; Y607-F610 PolarHBondContact O-N 3.48Å; L608-F610 VanDerWaalsContact C-N 3.26Å; L608-F610 PolarHBondContact O-N 2.94Å
611	S	97.7	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-100.9	170.6	169.6	-65.9	0	0	0	0	111.3	R187 R557 Y607 L608	R187-S611 WeakPolarHBondContact CD-OG 3.32Å; R557-S611 PolarHBondContact NH2-O 2.92Å; Y607-S611 WeakPolarHBondContact O-CB 3.45Å; Y607-S611 PolarHBondContact O-N 3.35Å; Y607-S611 VanDerWaalsContact O-N 3.12Å; Y607-S611 PolarHBondContact O-OG 2.98Å; L608-S611 WeakPolarHBondContact O-CB 3.48Å; L608-S611 PolarHBondContact O-N 2.66Å
612	S	95.3	Very high	96.6	Very high	35 Å²	35	19.4 Å²	19.4	25%	0.245	10%	0.103	C	C	.	.			trans	-70.9	160.3	163.6	173.5	0	0	0	0	110.9	G176 R549 D614 L615	G176-S612 PolarHBondContact O-N 3.27Å; R549-S612 PolarHBondContact NH2-O 3.34Å; S612-D614 VanDerWaalsContact C-N 3.33Å; S612-D614 WeakPolarHBondContact CB-OD1 3.42Å; S612-D614 PolarHBondContact OG-OD1 2.98Å; S612-L615 PolarHBondContact O-N 3.03Å
613	D	94.9	Very high	96.6	Very high	45 Å²	45	19.4 Å²	19.4	24%	0.241	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.7	-173.3	-85.9	16.5	0	0	0	114.4	R549 H552 L615	R549-D613 WeakPolarHBondContact CG-OD1 3.23Å; R549-D613 WeakPolarHBondContact CG-OD2 3.45Å; R549-D613 IonicContact CZ-OD1 3.88Å; R549-D613 VanDerWaalsContact NE-CG 3.27Å; R549-D613 IonicContact NE-OD1 3.72Å; R549-D613 PolarHBondContact NE-OD1 2.89Å; R549-D613 IonicContact NE-OD2 3.82Å; R549-D613 IonicContact NH2-OD1 3.75Å; H552-D613 IonicContact CE1-OD2 2.78Å; H552-D613 PolarHBondContact CE1-OD2 3.02Å; H552-D613 VanDerWaalsContact CE1-OD2 3.26Å; H552-D613 IonicContact NE2-OD2 3.69Å; D613-L615 VanDerWaalsContact C-N 3.27Å; D613-L615 PolarHBondContact O-N 3.11Å
614	D	92.7	Very high	96.6	Very high	84 Å²	84	19.4 Å²	19.4	45%	0.449	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.2	170.5	63.9	-25.6	0	0	0	114.1	G172 S612 P617	G172-D614 WeakPolarHBondContact CA-O 3.36Å; S612-D614 VanDerWaalsContact C-N 3.33Å; S612-D614 WeakPolarHBondContact CB-OD1 3.42Å; S612-D614 PolarHBondContact OG-OD1 2.98Å; D614-P617 WeakPolarHBondContact O-CD 3.41Å
615	L	95.6	Very high	96.6	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	11%	0.11	C	C	.	.	S	Bend	trans	-88.2	119.6	169.2	-179.8	66	0	0	0	110.6	I242 R549 Y607 L608 S612 D613	I242-L615 HydrophobicContact CG2-CD2 4.26Å; R549-L615 PolarHBondContact NH1-O 3.43Å; R549-L615 VanDerWaalsContact NH1-O 3.07Å; R549-L615 PolarHBondContact NH2-O 2.89Å; Y607-L615 HydrophobicContact CE1-CD2 4.01Å; L608-L615 HydrophobicContact CD2-CD2 3.82Å; L608-L615 HydrophobicContact CD2-CG 3.89Å; S612-L615 PolarHBondContact O-N 3.03Å; D613-L615 VanDerWaalsContact C-N 3.27Å; D613-L615 PolarHBondContact O-N 3.11Å
616	M	95.3	Very high	96.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	50.1	60.9	-172.4	-55.7	-58.2	168.5	0	0	113.2	G172 V173 I242 L287 R549 L608 W621 F623 P629	G172-M616 PolarHBondContact O-N 3.3Å; V173-M616 HydrophobicContact CB-CE 4.45Å; V173-M616 HydrophobicContact CG1-CE 4.41Å; V173-M616 HydrophobicContact CG2-CE 3.98Å; V173-M616 HydrophobicContact CG2-SD 4.45Å; I242-M616 HydrophobicContact CD1-CE 3.81Å; I242-M616 HydrophobicContact CG1-CE 3.53Å; L287-M616 HydrophobicContact CD2-CE 3.47Å; L287-M616 VanDerWaalsContact CD2-CE 3.47Å; L287-M616 HydrophobicContact CD2-SD 4.46Å; R549-M616 PolarHBondContact NH1-O 2.92Å; L608-M616 HydrophobicContact CD2-CB 4.41Å; L608-M616 HydrophobicContact CD2-CG 4.3Å; M616-W621 HydrophobicContact CB-CG 4.5Å; M616-W621 HydrophobicContact SD-CD2 3.88Å; M616-W621 VanDerWaalsContact SD-CE2 3.58Å; M616-W621 HydrophobicContact SD-CG 3.97Å; M616-W621 HydrophobicContact SD-CZ2 4.05Å; M616-F623 HydrophobicContact CB-CE2 3.8Å; M616-F623 HydrophobicContact CB-CZ 3.68Å; M616-F623 HydrophobicContact CG-CE2 4.44Å; M616-F623 HydrophobicContact CG-CZ 3.96Å; M616-P629 HydrophobicContact SD-CB 4.32Å; M616-P629 HydrophobicContact SD-CG 4.39Å
617	P	95	Very high	96.6	Very high	18 Å²	18	20.8 Å²	20.8	12%	0.117	11%	0.111	C	C	.	.			trans	-67.5	141.2	179.6	28.3	-34.9	0	0	0	111.3	D614 E619 S620 W621	D614-P617 WeakPolarHBondContact O-CD 3.41Å; P617-E619 PolarHBondContact O-N 3.46Å; P617-S620 PolarHBondContact O-N 2.78Å; P617-W621 PolarHBondContact O-N 2.67Å
618	F	94.4	Very high	96.6	Very high	40 Å²	40	20.7 Å²	20.7	18%	0.175	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.2	-172.4	-63.4	-42.7	0	0	0	113.7	W545 Y546 R549 F550 S620	W545-F618 HydrophobicContact CH2-CD1 4.47Å; W545-F618 AromaticContact CH2-CE1 3.51Å; W545-F618 HydrophobicContact CH2-CE1 3.51Å; W545-F618 HydrophobicContact CH2-CZ 4.22Å; W545-F618 AromaticContact CZ2-CE1 3.74Å; W545-F618 HydrophobicContact CZ2-CE1 3.74Å; W545-F618 HydrophobicContact CZ2-CZ 4.16Å; W545-F618 HydrophobicContact CZ3-CE1 4.02Å; Y546-F618 AromaticContact CD1-CE1 3.74Å; Y546-F618 HydrophobicContact CD1-CE1 3.74Å; Y546-F618 HydrophobicContact CD1-CE2 4.14Å; Y546-F618 AromaticContact CD1-CZ 3.37Å; Y546-F618 HydrophobicContact CD1-CZ 3.37Å; Y546-F618 HydrophobicContact CE1-CD1 4.3Å; Y546-F618 AromaticContact CE1-CE1 3.46Å; Y546-F618 HydrophobicContact CE1-CE1 3.46Å; Y546-F618 VanDerWaalsContact CE1-CE1 3.46Å; Y546-F618 AromaticContact CE1-CZ 3.64Å; Y546-F618 HydrophobicContact CE1-CZ 3.64Å; Y546-F618 HydrophobicContact CG-CZ 4.41Å; R549-F618 HydrophobicContact CB-CE2 3.65Å; R549-F618 HydrophobicContact CB-CZ 4.09Å; R549-F618 HydrophobicContact CG-CE2 4.19Å; R549-F618 HydrophobicContact CG-CZ 4.22Å; F550-F618 HydrophobicContact CD2-CE2 4.49Å; F550-F618 HydrophobicContact CE1-CD2 4.12Å; F550-F618 HydrophobicContact CE1-CE2 4.23Å; F550-F618 HydrophobicContact CE2-CD2 4.34Å; F550-F618 AromaticContact CE2-CE2 3.84Å; F550-F618 HydrophobicContact CE2-CE2 3.84Å; F550-F618 HydrophobicContact CE2-CZ 4.5Å; F550-F618 AromaticContact CZ-CD2 3.72Å; F550-F618 HydrophobicContact CZ-CD2 3.72Å; F550-F618 AromaticContact CZ-CE2 3.68Å; F550-F618 HydrophobicContact CZ-CE2 3.68Å; F618-S620 PolarHBondContact O-N 3.23Å
619	E	90.8	Very high	96.5	Very high	143 Å²	143	20.7 Å²	20.7	67%	0.668	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.2	174.2	-58.3	75.7	-168.8	0	0	112.5	P617	P617-E619 PolarHBondContact O-N 3.46Å
620	S	93.1	Very high	96.5	Very high	25 Å²	25	20.7 Å²	20.7	18%	0.175	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-22.4	-179.5	-58.3	0	0	0	0	113.4	P617 F618 P631 V632	P617-S620 PolarHBondContact O-N 2.78Å; F618-S620 PolarHBondContact O-N 3.23Å; S620-P631 CarbonylContact O-C 3.45Å; S620-P631 VanDerWaalsContact O-CA 3.29Å; S620-P631 WeakPolarHBondContact O-CA 3.1Å; S620-V632 PolarHBondContact O-N 2.69Å
621	W	96.7	Very high	96.4	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.5	-169.7	-63.2	99.8	0	0	0	113.4	V170 V171 V173 L287 M616 P617 F623 P629 P631	V170-W621 HydrophobicContact CB-CZ2 4.43Å; V170-W621 HydrophobicContact CG1-CZ2 3.94Å; V170-W621 HydrophobicContact CG2-CH2 4Å; V170-W621 HydrophobicContact CG2-CZ2 4.02Å; V171-W621 PolarHBondContact O-NE1 2.95Å; V173-W621 HydrophobicContact CG2-CZ2 3.64Å; L287-W621 HydrophobicContact CD2-CH2 3.67Å; L287-W621 HydrophobicContact CD2-CZ2 3.95Å; L287-W621 HydrophobicContact CD2-CZ3 4.48Å; L287-W621 HydrophobicContact CG-CH2 4.49Å; M616-W621 HydrophobicContact CB-CG 4.5Å; M616-W621 HydrophobicContact SD-CD2 3.88Å; M616-W621 VanDerWaalsContact SD-CE2 3.58Å; M616-W621 HydrophobicContact SD-CG 3.97Å; M616-W621 HydrophobicContact SD-CZ2 4.05Å; P617-W621 PolarHBondContact O-N 2.67Å; W621-F623 HydrophobicContact CB-CE2 4.3Å; W621-P629 HydrophobicContact CB-CB 4.47Å; W621-P629 HydrophobicContact CD2-CB 4.18Å; W621-P629 HydrophobicContact CE3-CB 3.67Å; W621-P629 HydrophobicContact CZ3-CB 4.18Å; W621-P629 WeakPolarHBondContact CZ3-O 3.47Å; W621-P631 HydrophobicContact CE3-CB 4.2Å; W621-P631 HydrophobicContact CZ3-CB 4.1Å; W621-P631 HydrophobicContact CZ3-CG 4.43Å
622	V	97.9	Very high	96.2	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.042	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.3	168.9	-168.3	0	0	0	0	108.5	M347 K413 L416 M417 L630 V632	M347-V622 HydrophobicContact CE-CB 3.82Å; M347-V622 HydrophobicContact CE-CG1 3.62Å; K413-V622 HydrophobicContact CB-CG1 3.64Å; K413-V622 HydrophobicContact CD-CG1 4.11Å; K413-V622 HydrophobicContact CG-CG1 3.8Å; L416-V622 HydrophobicContact CB-CG2 3.85Å; M417-V622 HydrophobicContact CB-CB 4.36Å; M417-V622 HydrophobicContact CB-CG2 4.12Å; V622-L630 PolarHBondContact N-O 2.79Å; V622-L630 PolarHBondContact O-N 3.16Å; V622-V632 HydrophobicContact CG2-CG2 4Å
623	F	98.7	Very high	96	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.8	-177.4	-75.5	-122.6	0	0	0	109.3	K413 W545 K604 Y605 L608 M616 W621 A627 H628 P629	K413-F623 WeakPolarHBondContact CD-O 3.46Å; K413-F623 WeakPolarHBondContact CE-O 3.47Å; K413-F623 PolarHBondContact NZ-O 3.02Å; W545-F623 HydrophobicContact CH2-CD1 4.23Å; W545-F623 AromaticContact CH2-CD2 3.78Å; W545-F623 HydrophobicContact CH2-CD2 3.78Å; W545-F623 AromaticContact CH2-CE1 3.97Å; W545-F623 HydrophobicContact CH2-CE1 3.97Å; W545-F623 AromaticContact CH2-CE2 3.51Å; W545-F623 HydrophobicContact CH2-CE2 3.51Å; W545-F623 HydrophobicContact CH2-CG 4.15Å; W545-F623 AromaticContact CH2-CZ 3.61Å; W545-F623 HydrophobicContact CH2-CZ 3.61Å; W545-F623 HydrophobicContact CZ2-CE2 4.23Å; W545-F623 HydrophobicContact CZ2-CZ 4.13Å; W545-F623 HydrophobicContact CZ3-CD1 4.37Å; W545-F623 HydrophobicContact CZ3-CD2 4.35Å; W545-F623 HydrophobicContact CZ3-CE1 4.44Å; W545-F623 HydrophobicContact CZ3-CE2 4.45Å; W545-F623 HydrophobicContact CZ3-CG 4.34Å; W545-F623 HydrophobicContact CZ3-CZ 4.49Å; K604-F623 HydrophobicContact CD-CE1 4Å; Y605-F623 AromaticContact CE1-CD1 3.85Å; Y605-F623 HydrophobicContact CE1-CD1 3.85Å; Y605-F623 HydrophobicContact CE1-CE1 4.29Å; L608-F623 HydrophobicContact CD1-CE1 3.58Å; L608-F623 HydrophobicContact CD1-CZ 3.63Å; M616-F623 HydrophobicContact CB-CE2 3.8Å; M616-F623 HydrophobicContact CB-CZ 3.68Å; M616-F623 HydrophobicContact CG-CE2 4.44Å; M616-F623 HydrophobicContact CG-CZ 3.96Å; W621-F623 HydrophobicContact CB-CE2 4.3Å; F623-A627 HydrophobicContact CD1-CB 4.32Å; F623-A627 VanDerWaalsContact CD1-O 3.27Å; F623-A627 WeakPolarHBondContact CD1-O 3.33Å; F623-H628 WeakPolarHBondContact CA-O 3.48Å; F623-P629 HydrophobicContact CD1-CB 4.47Å; F623-P629 HydrophobicContact CD2-CB 4.15Å; F623-P629 HydrophobicContact CE1-CB 4.27Å; F623-P629 HydrophobicContact CE2-CB 3.91Å; F623-P629 HydrophobicContact CG-CB 4.41Å; F623-P629 HydrophobicContact CZ-CB 3.98Å
624	N	98.8	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.			trans	-67.4	179.2	173.5	103.2	-36.8	0	0	0	111.1	I275 E348 Y410 E626 A627 H628 L630	I275-N624 PolarHBondContact O-ND2 2.93Å; E348-N624 PolarHBondContact OE1-ND2 3.3Å; Y410-N624 VanDerWaalsContact OH-CB 3.24Å; Y410-N624 WeakPolarHBondContact OH-CB 3.32Å; N624-E626 PolarHBondContact O-N 3.12Å; N624-E626 PolarHBondContact OD1-N 2.93Å; N624-A627 PolarHBondContact O-N 3.39Å; N624-A627 VanDerWaalsContact O-N 3.14Å; N624-A627 PolarHBondContact OD1-N 3.26Å; N624-H628 PolarHBondContact N-O 3.47Å; N624-H628 VanDerWaalsContact OD1-CB 3.32Å; N624-H628 WeakPolarHBondContact OD1-CB 3.43Å; N624-H628 PolarHBondContact OD1-CD2 3.27Å; N624-H628 PolarHBondContact OD1-N 2.75Å; N624-L630 HydrophobicContact CB-CD1 4.2Å
625	T	98.6	Very high	94	Very high	24 Å²	24	21.1 Å²	21.1	15%	0.147	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9	-175.6	-175.3	0	0	0	0	114.6	F271 I275 T344 S406 E409 Y410	F271-T625 HydrophobicContact CE2-CG2 4.42Å; I275-T625 HydrophobicContact CB-CG2 3.56Å; I275-T625 HydrophobicContact CD1-CG2 3.83Å; I275-T625 HydrophobicContact CG1-CG2 4.2Å; I275-T625 HydrophobicContact CG2-CG2 3.35Å; T344-T625 HydrophobicContact CG2-CG2 3.43Å; T344-T625 VanDerWaalsContact CG2-CG2 3.43Å; S406-T625 WeakPolarHBondContact CB-OG1 3.43Å; E409-T625 WeakPolarHBondContact OE1-CA 3.32Å; E409-T625 PolarHBondContact OE2-OG1 2.88Å; Y410-T625 HydrophobicContact CE1-CG2 4.25Å; Y410-T625 PolarHBondContact OH-N 2.95Å
626	E	98.8	Very high	91.6	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.028	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	35.7	173	-162.1	117.6	169.1	0	0	110.1	I275 R276 F597 A600 E601 N624 H628	I275-E626 HydrophobicContact CG1-CB 4.3Å; R276-E626 WeakPolarHBondContact CD-OE1 3.46Å; R276-E626 HydrophobicContact CG-CB 4.44Å; R276-E626 HydrophobicContact CG-CG 4Å; R276-E626 WeakPolarHBondContact CG-OE1 3.26Å; R276-E626 VanDerWaalsContact CG-OE2 3.29Å; R276-E626 WeakPolarHBondContact CG-OE2 3.35Å; R276-E626 IonicContact CZ-OE1 3.6Å; R276-E626 IonicContact CZ-OE2 2.76Å; R276-E626 IonicContact NE-OE1 3.69Å; R276-E626 PolarHBondContact NE-OE1 3.25Å; R276-E626 IonicContact NE-OE2 2.81Å; R276-E626 PolarHBondContact NE-OE2 2.69Å; R276-E626 IonicContact NH1-OE1 2.8Å; R276-E626 PolarHBondContact NH1-OE1 2.91Å; R276-E626 IonicContact NH1-OE2 3.46Å; R276-E626 IonicContact NH2-OE2 3.25Å; F597-E626 WeakPolarHBondContact CB-OE1 3.44Å; A600-E626 HydrophobicContact CB-CG 4.25Å; E601-E626 VanDerWaalsContact CD-CA 3.46Å; E601-E626 HydrophobicContact CG-CG 4.03Å; E601-E626 WeakPolarHBondContact OE2-CA 3.49Å; N624-E626 PolarHBondContact O-N 3.12Å; N624-E626 PolarHBondContact OD1-N 2.93Å; E626-H628 PolarHBondContact O-CD2 2.95Å; E626-H628 PolarHBondContact O-N 2.91Å; E626-H628 VanDerWaalsContact O-N 3.13Å
627	A	98.8	Very high	89	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	56.3	21.9	178.7	0	0	0	0	0	116.7	E601 K604 Y605 F623 N624 P629	E601-A627 HydrophobicContact CB-CB 3.86Å; E601-A627 HydrophobicContact CG-CB 3.65Å; E601-A627 PolarHBondContact OE2-N 3.5Å; K604-A627 HydrophobicContact CD-CB 4.02Å; K604-A627 WeakPolarHBondContact CD-O 3.36Å; K604-A627 WeakPolarHBondContact CE-O 3.42Å; K604-A627 PolarHBondContact NZ-O 3.27Å; Y605-A627 HydrophobicContact CD2-CB 4.35Å; Y605-A627 HydrophobicContact CE1-CB 3.94Å; Y605-A627 HydrophobicContact CE2-CB 3.56Å; Y605-A627 WeakPolarHBondContact OH-CA 3.12Å; Y605-A627 VanDerWaalsContact OH-CB 3.31Å; Y605-A627 WeakPolarHBondContact OH-CB 3.29Å; F623-A627 HydrophobicContact CD1-CB 4.32Å; F623-A627 VanDerWaalsContact CD1-O 3.27Å; F623-A627 WeakPolarHBondContact CD1-O 3.33Å; N624-A627 PolarHBondContact O-N 3.39Å; N624-A627 VanDerWaalsContact O-N 3.14Å; N624-A627 PolarHBondContact OD1-N 3.26Å; A627-P629 WeakPolarHBondContact O-CD 3.38Å
628	H	98.9	Very high	87	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.			trans	-82.7	116	177	-62.5	-57.7	0	0	0	111.2	D235 D238 I275 G280 A283 F623 N624 E626 L630	D235-H628 PolarHBondContact O-CE1 3.09Å; D238-H628 IonicContact OD1-CE1 3.1Å; D238-H628 IonicContact OD1-ND1 2.63Å; D238-H628 PolarHBondContact OD1-ND1 2.9Å; D238-H628 WeakPolarHBondContact OD2-CA 3.48Å; D238-H628 IonicContact OD2-CE1 3.8Å; D238-H628 IonicContact OD2-CG 2.81Å; D238-H628 IonicContact OD2-ND1 3.13Å; D238-H628 PolarHBondContact OD2-ND1 2.66Å; I275-H628 PolarHBondContact O-CD2 3.42Å; I275-H628 VanDerWaalsContact O-CD2 3.28Å; G280-H628 WeakPolarHBondContact CA-ND1 3.26Å; G280-H628 PolarHBondContact N-CD2 3.26Å; G280-H628 VanDerWaalsContact N-CD2 3.33Å; A283-H628 HydrophobicContact CB-CB 3.95Å; F623-H628 WeakPolarHBondContact CA-O 3.48Å; N624-H628 PolarHBondContact N-O 3.47Å; N624-H628 VanDerWaalsContact OD1-CB 3.32Å; N624-H628 WeakPolarHBondContact OD1-CB 3.43Å; N624-H628 PolarHBondContact OD1-CD2 3.27Å; N624-H628 PolarHBondContact OD1-N 2.75Å; E626-H628 PolarHBondContact O-CD2 2.95Å; E626-H628 PolarHBondContact O-N 2.91Å; E626-H628 VanDerWaalsContact O-N 3.13Å; H628-L630 PolarHBondContact O-N 2.69Å
629	P	98.2	Very high	85.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.5	-177.8	30.9	-33.4	0	0	0	110.4	D238 I242 A283 M616 W621 F623 A627	D238-P629 WeakPolarHBondContact OD2-CD 3.47Å; I242-P629 HydrophobicContact CD1-CG 4.33Å; A283-P629 HydrophobicContact CB-CG 4.39Å; M616-P629 HydrophobicContact SD-CB 4.32Å; M616-P629 HydrophobicContact SD-CG 4.39Å; W621-P629 HydrophobicContact CB-CB 4.47Å; W621-P629 HydrophobicContact CD2-CB 4.18Å; W621-P629 HydrophobicContact CE3-CB 3.67Å; W621-P629 HydrophobicContact CZ3-CB 4.18Å; W621-P629 WeakPolarHBondContact CZ3-O 3.47Å; F623-P629 HydrophobicContact CD1-CB 4.47Å; F623-P629 HydrophobicContact CD2-CB 4.15Å; F623-P629 HydrophobicContact CE1-CB 4.27Å; F623-P629 HydrophobicContact CE2-CB 3.91Å; F623-P629 HydrophobicContact CG-CB 4.41Å; F623-P629 HydrophobicContact CZ-CB 3.98Å; A627-P629 WeakPolarHBondContact O-CD 3.38Å
630	L	97.8	Very high	83.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.2	174.6	-59.4	178.1	0	0	0	109.1	L282 Y286 M347 V622 N624 H628	L282-L630 HydrophobicContact CB-CD2 3.59Å; L282-L630 HydrophobicContact CD1-CD2 4.41Å; Y286-L630 HydrophobicContact CD2-CD2 4.24Å; Y286-L630 HydrophobicContact CE2-CD2 4.28Å; M347-L630 HydrophobicContact CB-CD1 4.07Å; M347-L630 HydrophobicContact CE-CD1 4.36Å; V622-L630 PolarHBondContact N-O 2.79Å; V622-L630 PolarHBondContact O-N 3.16Å; N624-L630 HydrophobicContact CB-CD1 4.2Å; H628-L630 PolarHBondContact O-N 2.69Å
631	P	95.9	Very high	82.5	Confident	4 Å²	4	33.2 Å²	33.2	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	147	-170.7	29.8	-35.4	0	0	0	112.3	P168 Y286 H351 S620 W621 L633	P168-P631 HydrophobicContact CB-CB 3.92Å; P168-P631 HydrophobicContact CB-CG 4.05Å; P168-P631 HydrophobicContact CG-CB 4.25Å; P168-P631 HydrophobicContact CG-CG 3.82Å; Y286-P631 HydrophobicContact CD1-CG 3.68Å; Y286-P631 HydrophobicContact CD2-CG 3.89Å; Y286-P631 HydrophobicContact CE1-CG 3.79Å; Y286-P631 HydrophobicContact CE2-CG 4.01Å; Y286-P631 HydrophobicContact CG-CG 3.74Å; H351-P631 PolarHBondContact CE1-O 2.74Å; S620-P631 CarbonylContact O-C 3.45Å; S620-P631 VanDerWaalsContact O-CA 3.29Å; S620-P631 WeakPolarHBondContact O-CA 3.1Å; W621-P631 HydrophobicContact CE3-CB 4.2Å; W621-P631 HydrophobicContact CZ3-CB 4.1Å; W621-P631 HydrophobicContact CZ3-CG 4.43Å; P631-L633 PolarHBondContact O-N 3.03Å
632	V	94.4	Very high	80.4	Confident	10 Å²	10	35.1 Å²	35.1	6%	0.061	22%	0.218	C	C	.	.			trans	-60.7	130	173.4	175.6	0	0	0	0	110.3	D419 S620 V622 H634	D419-V632 HydrophobicContact CB-CG1 3.93Å; S620-V632 PolarHBondContact O-N 2.69Å; V622-V632 HydrophobicContact CG2-CG2 4Å; V632-H634 PolarHBondContact O-N 3.42Å
633	L	90.9	Very high	78.2	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	23%	0.228	C	C	.	.			trans	-93.3	93.5	-179	-63.8	-178.1	0	0	0	110.1	P168 V350 Y354 M417 P631 L635	P168-L633 HydrophobicContact CG-CD2 4.24Å; V350-L633 HydrophobicContact CG1-CD1 3.73Å; Y354-L633 HydrophobicContact CD1-CD2 3.99Å; Y354-L633 HydrophobicContact CD2-CD1 4.41Å; Y354-L633 HydrophobicContact CD2-CD2 4.09Å; Y354-L633 HydrophobicContact CE1-CD2 4.01Å; Y354-L633 HydrophobicContact CE2-CD2 4.1Å; Y354-L633 HydrophobicContact CG-CD1 4.31Å; Y354-L633 HydrophobicContact CG-CD2 4.03Å; M417-L633 PolarHBondContact O-N 2.81Å; P631-L633 PolarHBondContact O-N 3.03Å; L633-L635 HydrophobicContact CB-CD2 4.15Å; L633-L635 HydrophobicContact CB-CG 4.1Å; L633-L635 WeakPolarHBondContact O-CG 3.22Å; L633-L635 PolarHBondContact O-N 3.47Å
634	H	80.1	Confident	75.8	Confident	117 Å²	117	44 Å²	44	54%	0.542	26%	0.263	S	S	.	.			trans	-69.8	74.9	172.2	-57.8	-67.7	0	0	0	111.5	D419 V632 G636	D419-H634 IonicContact OD1-CE1 2.76Å; D419-H634 IonicContact OD1-ND1 3.84Å; D419-H634 PolarHBondContact OD1-ND1 2.87Å; D419-H634 IonicContact OD2-CE1 2.81Å; D419-H634 IonicContact OD2-CG 3.8Å; D419-H634 IonicContact OD2-ND1 2.8Å; D419-H634 PolarHBondContact OD2-ND1 2.87Å; V632-H634 PolarHBondContact O-N 3.42Å; H634-G636 PolarHBondContact O-N 3.41Å
635	L	64.4	Low	73.1	Confident	39 Å²	39	48.9 Å²	48.9	20%	0.204	30%	0.295	C	S	.	.			trans	-71.7	10.6	-173.3	-64.7	176	0	0	0	114.9	Y354 L633 N637 I638 L640	Y354-L635 HydrophobicContact CD2-CD2 4.35Å; Y354-L635 HydrophobicContact CE2-CD2 4.48Å; L633-L635 HydrophobicContact CB-CD2 4.15Å; L633-L635 HydrophobicContact CB-CG 4.1Å; L633-L635 WeakPolarHBondContact O-CG 3.22Å; L633-L635 PolarHBondContact O-N 3.47Å; L635-N637 PolarHBondContact O-N 2.88Å; L635-I638 WeakPolarHBondContact CD2-O 3.48Å; L635-I638 CarbonylContact O-C 3.5Å; L635-I638 PolarHBondContact O-N 2.93Å; L635-L640 HydrophobicContact CD1-CD1 3.76Å; L635-L640 HydrophobicContact CD1-CG 3.82Å; L635-L640 HydrophobicContact CD2-CD2 3.95Å; L635-L640 HydrophobicContact CD2-CG 3.93Å
636	G	47	Very low	70	Confident	74 Å²	74	52 Å²	52	76%	0.763	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.1	-168.9	0	0	0	0	0	117.1	H634	H634-G636 PolarHBondContact O-N 3.41Å
637	N	40.7	Very low	66.7	Low	171 Å²	171	61.2 Å²	61.2	91%	0.914	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	7.7	169.8	-74.8	-51.3	0	0	0	113.4	L635	L635-N637 PolarHBondContact O-N 2.88Å
638	I	53.1	Low	63.4	Low	74 Å²	74	76.4 Å²	76.4	38%	0.379	42%	0.424	S	S	.	.			trans	-129.1	91.8	-174.5	-55	178.4	0	0	0	108.8	L635 L640	L635-I638 WeakPolarHBondContact CD2-O 3.48Å; L635-I638 CarbonylContact O-C 3.5Å; L635-I638 PolarHBondContact O-N 2.93Å; I638-L640 PolarHBondContact O-N 3.24Å
639	T	58.4	Low	61.7	Low	103 Å²	103	80.2 Å²	80.2	63%	0.632	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-63.5	119.6	165.4	48.5	0	0	0	0	109.2
640	L	60.9	Low	59.7	Low	9 Å²	9	84.4 Å²	84.4	5%	0.047	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-56.7	134.3	172.7	-72.1	173.3	0	0	0	109.4	V350 T353 Y354 Y362 L635 I638 G642 S643	V350-L640 HydrophobicContact CG1-CD1 3.95Å; T353-L640 HydrophobicContact CG2-CB 4.49Å; T353-L640 HydrophobicContact CG2-CD2 4.42Å; Y354-L640 HydrophobicContact CD2-CD2 4.11Å; Y362-L640 HydrophobicContact CD2-CD1 4.33Å; Y362-L640 HydrophobicContact CE2-CD1 4.3Å; L635-L640 HydrophobicContact CD1-CD1 3.76Å; L635-L640 HydrophobicContact CD1-CG 3.82Å; L635-L640 HydrophobicContact CD2-CD2 3.95Å; L635-L640 HydrophobicContact CD2-CG 3.93Å; I638-L640 PolarHBondContact O-N 3.24Å; L640-G642 PolarHBondContact O-N 3.36Å; L640-G642 VanDerWaalsContact O-N 3.13Å; L640-S643 PolarHBondContact N-OG 2.66Å; L640-S643 WeakPolarHBondContact O-CB 3.5Å; L640-S643 PolarHBondContact O-N 2.99Å; L640-S643 PolarHBondContact O-OG 3.03Å
641	P	63.1	Low	57.6	Low	53 Å²	53	89.1 Å²	89.1	34%	0.344	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	122	174.4	-29.9	38.1	0	0	0	111.2	G357 P359	G357-P641 WeakPolarHBondContact O-CB 3.12Å; G357-P641 WeakPolarHBondContact O-CG 3.2Å; P359-P641 WeakPolarHBondContact CA-O 3.17Å; P359-P641 HydrophobicContact CB-CB 4.03Å; P359-P641 VanDerWaalsContact CB-O 3.22Å; P359-P641 WeakPolarHBondContact CB-O 3.32Å
642	G	54.1	Low	55.4	Low	42 Å²	42	94.1 Å²	94.1	43%	0.433	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-1	-176.6	0	0	0	0	0	115.7	L640	L640-G642 PolarHBondContact O-N 3.36Å; L640-G642 VanDerWaalsContact O-N 3.13Å
643	S	50.5	Low	52.9	Low	34 Å²	34	99.4 Å²	99.4	24%	0.238	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-75.9	125.9	158.1	64.2	0	0	0	0	109.5	L640	L640-S643 PolarHBondContact N-OG 2.66Å; L640-S643 WeakPolarHBondContact O-CB 3.5Å; L640-S643 PolarHBondContact O-N 2.99Å; L640-S643 PolarHBondContact O-OG 3.03Å
644	E	48.1	Very low	50.4	Low	160 Å²	160	105.7 Å²	105.7	75%	0.748	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-75.7	133.5	165.2	-68.9	172.3	141.7	0	0	107.3	K370 A646	K370-E644 IonicContact NZ-OE2 3.82Å; E644-A646 PolarHBondContact O-N 2.74Å
645	P	41.9	Very low	48.3	Very low	102 Å²	102	104.9 Å²	104.9	66%	0.662	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-63	127.2	176.1	26.8	-33.4	0	0	0	108.9	Q647	P645-Q647 PolarHBondContact O-N 2.73Å; P645-Q647 VanDerWaalsContact O-N 3.16Å
646	A	35.1	Very low	47.1	Very low	91 Å²	91	110 Å²	110	75%	0.752	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-54.3	123.2	178.1	0	0	0	0	0	110.1	E644 R648	E644-A646 PolarHBondContact O-N 2.74Å; A646-R648 PolarHBondContact O-N 3Å
647	Q	28.8	Very low	47.1	Very low	199 Å²	199	113 Å²	113	93%	0.93	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-65.9	122.8	171.7	-68	-175.4	-9.1	0	0	107.7	P645	P645-Q647 PolarHBondContact O-N 2.73Å; P645-Q647 VanDerWaalsContact O-N 3.16Å
648	R	30.1	Very low	47.6	Very low	318 Å²	318	107.7 Å²	107.7	100%	1.2	58%	0.579	S	S	*	*			trans	-76.8	0	-179.2	-65.8	-176.8	177.9	-174.5	-1.1	111.8	A646	A646-R648 PolarHBondContact O-N 3Å

Retrieved 648 of 648 residues in 658.1 ms (Link to these results)

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