A0A096N1D6_PAPAN Loading...

Calcium-independent phospholipase A2-gamma

AlphaFold DB , UniProt , Accession A0A096N1D6, Species PAPAN (Papio anubis, Olive baboon), Gene PNPLA8, Length 782 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	30.4	Very low	28	Very low	241 Å²	241	140.1 Å²	140.1	100%	1.187	75%	0.746	S	S	*	*				0	118	0	-79.5	176.6	160.7	0	0	108.8
2	S	22.4	Very low	28.2	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	74%	0.742	S	S	*	*			trans	-92.9	117.6	175.7	28.7	0	0	0	0	109.6
3	I	21.9	Very low	28.2	Very low	145 Å²	145	144.5 Å²	144.5	74%	0.744	75%	0.749	S	S	*	*			trans	-99.9	109.6	175.3	-63.5	173.9	0	0	0	108.1	L5	I3-L5 PolarHBondContact O-N 3.31Å
4	N	23.5	Very low	28.3	Very low	154 Å²	154	143.9 Å²	143.9	82%	0.824	75%	0.747	S	S	*	*			trans	-73.6	108	172.2	-77.7	-32.3	0	0	0	109.7
5	L	24.4	Very low	28.4	Very low	143 Å²	143	141.8 Å²	141.8	75%	0.749	75%	0.75	S	S	*	*			trans	-92.2	103	168.7	-95.5	146.3	0	0	0	109.5	I3 V7	I3-L5 PolarHBondContact O-N 3.31Å; L5-V7 PolarHBondContact O-N 3.42Å; L5-V7 VanDerWaalsContact O-N 3.15Å
6	T	26.2	Very low	28.4	Very low	131 Å²	131	142.7 Å²	142.7	80%	0.804	76%	0.755	S	S	*	*			trans	-69.2	103.2	165.6	43.3	0	0	0	0	109.1
7	V	29.7	Very low	28.8	Very low	104 Å²	104	140.1 Å²	140.1	63%	0.63	76%	0.759	S	S	*	*			trans	-91.7	104	178	-161	0	0	0	0	109.7	L5 I9	L5-V7 PolarHBondContact O-N 3.42Å; L5-V7 VanDerWaalsContact O-N 3.15Å; V7-I9 VanDerWaalsContact C-N 3.27Å; V7-I9 HydrophobicContact CB-CD1 4.36Å; V7-I9 HydrophobicContact CB-CG1 3.94Å; V7-I9 HydrophobicContact CG1-CD1 4.02Å; V7-I9 HydrophobicContact CG1-CG1 3.39Å; V7-I9 PolarHBondContact O-N 3.02Å
8	D	29.1	Very low	28.9	Very low	124 Å²	124	145.9 Å²	145.9	66%	0.663	77%	0.768	S	S	*	*			trans	-73.2	82.1	167.5	-82.7	-37	0	0	0	109.9	Y10	D8-Y10 HydrophobicContact CB-CE2 4.3Å; D8-Y10 PolarHBondContact O-N 3.48Å
9	I	33.7	Very low	29.1	Very low	116 Å²	116	143.3 Å²	143.3	60%	0.595	76%	0.762	S	S	*	*			trans	-82.6	107.7	177.2	-52.8	178.7	0	0	0	109.9	V7 I11	V7-I9 VanDerWaalsContact C-N 3.27Å; V7-I9 HydrophobicContact CB-CD1 4.36Å; V7-I9 HydrophobicContact CB-CG1 3.94Å; V7-I9 HydrophobicContact CG1-CD1 4.02Å; V7-I9 HydrophobicContact CG1-CG1 3.39Å; V7-I9 PolarHBondContact O-N 3.02Å; I9-I11 HydrophobicContact CG2-CD1 4.39Å; I9-I11 HydrophobicContact CG2-CG1 3.66Å; I9-I11 PolarHBondContact O-N 3.35Å
10	Y	34.4	Very low	29.4	Very low	141 Å²	141	143.4 Å²	143.4	55%	0.553	77%	0.768	S	S	*	*			trans	-81.8	97.2	167.7	-66.2	-81.5	0	0	0	110.7	D8 Y12 L32	D8-Y10 HydrophobicContact CB-CE2 4.3Å; D8-Y10 PolarHBondContact O-N 3.48Å; Y10-Y12 PolarHBondContact O-N 3.21Å; Y10-L32 HydrophobicContact CD1-CD2 3.53Å; Y10-L32 HydrophobicContact CE1-CD2 3.51Å
11	I	32.4	Very low	29.4	Very low	123 Å²	123	142.5 Å²	142.5	63%	0.631	77%	0.772	S	S	*	*			trans	-83.5	112.3	177.2	-56.3	-179.5	0	0	0	110.2	I9 L13	I9-I11 HydrophobicContact CG2-CD1 4.39Å; I9-I11 HydrophobicContact CG2-CG1 3.66Å; I9-I11 PolarHBondContact O-N 3.35Å; I11-L13 HydrophobicContact CG2-CD1 4.38Å; I11-L13 HydrophobicContact CG2-CG 4.1Å
12	Y	30.2	Very low	29.4	Very low	178 Å²	178	134 Å²	134	70%	0.698	75%	0.747	S	S	*	*			trans	-88.8	106.5	168.4	-75.9	-93.1	0	0	0	110.3	Y10	Y10-Y12 PolarHBondContact O-N 3.21Å
13	L	28.6	Very low	30.1	Very low	159 Å²	159	138.6 Å²	138.6	83%	0.832	75%	0.751	S	S	*	*			trans	-94.8	113.2	173.5	-88.5	161.2	0	0	0	111	I11	I11-L13 HydrophobicContact CG2-CD1 4.38Å; I11-L13 HydrophobicContact CG2-CG 4.1Å
14	L	28.6	Very low	30.6	Very low	136 Å²	136	141.1 Å²	141.1	71%	0.712	76%	0.76	S	S	*	*			trans	-105.8	85.1	177.6	-160.8	97.3	0	0	0	110.4	N16	L14-N16 PolarHBondContact O-N 3.39Å
15	S	30.7	Very low	31.3	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	77%	0.766	S	S	*	*			trans	-84.2	108.6	-179	56.5	0	0	0	0	112.7	A17	S15-A17 PolarHBondContact O-N 3.48Å
16	N	28.7	Very low	31.8	Very low	156 Å²	156	144.6 Å²	144.6	83%	0.834	77%	0.77	S	S	*	*			trans	-85.1	91.9	170.2	-111.3	-17.5	0	0	0	110.1	L14 R18	L14-N16 PolarHBondContact O-N 3.39Å; N16-R18 PolarHBondContact O-N 3.42Å
17	A	34.8	Very low	32.1	Very low	99 Å²	99	148.1 Å²	148.1	82%	0.818	77%	0.774	S	S	*	*			trans	-75	111.1	171.4	0	0	0	0	0	110.6	S15 S19	S15-A17 PolarHBondContact O-N 3.48Å; A17-S19 PolarHBondContact O-N 3.09Å
18	R	30.7	Very low	32.3	Very low	245 Å²	245	150.4 Å²	150.4	93%	0.925	78%	0.778	S	S	*	*			trans	-77.1	114.2	165.9	-74.1	-177.7	175.8	176.4	0.1	109	N16	N16-R18 PolarHBondContact O-N 3.42Å
19	S	31.8	Very low	32.5	Very low	95 Å²	95	151.2 Å²	151.2	66%	0.664	78%	0.782	S	S	*	*			trans	-83.4	129.1	164.2	57.1	0	0	0	0	110.3	A17	A17-S19 PolarHBondContact O-N 3.09Å
20	V	35.8	Very low	32.5	Very low	145 Å²	145	152.7 Å²	152.7	88%	0.879	79%	0.786	S	S	*	*	S	Bend	trans	-81.4	119.6	164	176.1	0	0	0	0	107.2
21	C	30.3	Very low	32.5	Very low	125 Å²	125	153.5 Å²	153.5	85%	0.845	79%	0.793	S	S	*	*	S	Bend	trans	72.3	141.1	-178.6	-147.2	0	0	0	0	116.3
22	G	29.6	Very low	32.5	Very low	64 Å²	64	152 Å²	152	66%	0.66	79%	0.785	S	S	*	*			trans	98.4	124.7	172.3	0	0	0	0	0	116.3
23	K	37.7	Very low	32.6	Very low	214 Å²	214	151.2 Å²	151.2	93%	0.93	79%	0.786	S	S	*	*			trans	-83.8	110.6	-178.6	-69.8	170.3	176.2	169.4	0	112.7
24	Q	32.7	Very low	32.8	Very low	198 Å²	198	146.2 Å²	146.2	93%	0.925	76%	0.764	S	S	*	*			trans	-160.3	146.2	150	-123	169.8	-11.4	0	0	112.4
25	R	37.8	Very low	33.1	Very low	250 Å²	250	145.8 Å²	145.8	94%	0.943	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-86.4	118.6	175.4	-72.9	178.8	172.9	172.4	-3.6	109.9
26	S	33.5	Very low	33.3	Very low	120 Å²	120	149.2 Å²	149.2	84%	0.839	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-81.7	145.1	169.4	46.3	0	0	0	0	111.6
27	K	34.3	Very low	33.5	Very low	205 Å²	205	146.3 Å²	146.3	89%	0.891	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-90.5	152.6	169.1	-72.4	179.6	175.7	179.3	0	109.6
28	Q	33.7	Very low	33.5	Very low	153 Å²	153	145.6 Å²	145.6	72%	0.715	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-67.4	145.1	174.3	-69.8	167.8	-27.6	0	0	111.2
29	L	32.6	Very low	33.6	Very low	141 Å²	141	139.8 Å²	139.8	74%	0.738	72%	0.718	S	S	*	*			trans	-120.2	133.3	170.4	-92.8	161.2	0	0	0	108.1	F31	L29-F31 HydrophobicContact CB-CE2 4.15Å
30	H	34.3	Very low	33.6	Very low	146 Å²	146	144.5 Å²	144.5	68%	0.676	72%	0.721	S	S	*	*			trans	-105.1	128.7	175.1	-59.8	-76.3	0	0	0	109.2
31	F	34.2	Very low	33.5	Very low	159 Å²	159	143.4 Å²	143.4	70%	0.697	71%	0.709	S	S	*	*			trans	-119.8	143.9	170.1	-74.1	-82.2	0	0	0	109.6	L29	L29-F31 HydrophobicContact CB-CE2 4.15Å
32	L	32	Very low	33.5	Very low	92 Å²	92	140.5 Å²	140.5	48%	0.482	69%	0.69	S	S	.	*			trans	-129.9	115.1	-176.2	-136.7	157.1	0	0	0	105.8	Y10	Y10-L32 HydrophobicContact CD1-CD2 3.53Å; Y10-L32 HydrophobicContact CE1-CD2 3.51Å
33	F	32.4	Very low	33.6	Very low	160 Å²	160	146.4 Å²	146.4	70%	0.702	70%	0.7	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.3	132.9	-168.9	-136.5	-90.2	0	0	0	110.9
34	S	31.9	Very low	33.3	Very low	55 Å²	55	143.5 Å²	143.5	39%	0.385	69%	0.693	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.9	140.3	171	169.5	0	0	0	0	107.2	K36 H37	S34-K36 PolarHBondContact O-N 3.18Å; S34-H37 PolarHBondContact O-N 3.39Å
35	P	35.3	Very low	33.3	Very low	127 Å²	127	139 Å²	139	83%	0.825	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	5.4	-162.4	25.6	-35.8	0	0	0	116.6
36	K	35.3	Very low	32.9	Very low	184 Å²	184	135.1 Å²	135.1	80%	0.8	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	-11	177.1	-69.3	-171.2	176.2	-179.1	0	116.4	S34	S34-K36 PolarHBondContact O-N 3.18Å
37	H	32.8	Very low	32.6	Very low	95 Å²	95	138.2 Å²	138.2	44%	0.44	68%	0.682	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-147.9	131.3	-179.5	-65.8	98.6	0	0	0	111.6	S34	S34-H37 PolarHBondContact O-N 3.39Å
38	C	35.2	Very low	32.8	Very low	85 Å²	85	140.4 Å²	140.4	57%	0.574	68%	0.684	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.1	120	176	-161	0	0	0	0	109.7
39	W	32.2	Very low	32.6	Very low	123 Å²	123	136.3 Å²	136.3	47%	0.466	68%	0.683	S	S	.	*			trans	-101	116.2	-179.1	-67.8	93.6	0	0	0	110.6	W59 K61	W39-W59 HydrophobicContact CB-CZ3 4.26Å; W39-W59 HydrophobicContact CD2-CE3 4.18Å; W39-W59 HydrophobicContact CE3-CB 4.38Å; W39-W59 AromaticContact CE3-CE3 3.74Å; W39-W59 HydrophobicContact CE3-CE3 3.74Å; W39-W59 HydrophobicContact CE3-CZ3 4.48Å; W39-W59 HydrophobicContact CG-CZ3 4.47Å; W39-W59 HydrophobicContact CZ3-CB 3.96Å; W39-W59 HydrophobicContact CZ3-CE3 4.28Å; W39-K61 HydrophobicContact CZ3-CB 4.42Å
40	R	32.3	Very low	32.8	Very low	193 Å²	193	139 Å²	139	73%	0.728	69%	0.689	S	S	*	*			trans	-93.3	109.1	175.7	-176.9	-179.8	173.6	174	-0.7	110.6	S42	R40-S42 PolarHBondContact O-N 3.26Å
41	I	32.9	Very low	33.1	Very low	123 Å²	123	140 Å²	140	63%	0.631	69%	0.694	S	S	*	*			trans	-75	117.4	166.5	-61.1	174.6	0	0	0	108	W59	I41-W59 HydrophobicContact CG1-CZ3 4.5Å
42	S	31.8	Very low	33.1	Very low	63 Å²	63	138.8 Å²	138.8	44%	0.441	70%	0.699	S	S	.	*			trans	-110.9	115	175.7	-57.1	0	0	0	0	109.1	R40 I44	R40-S42 PolarHBondContact O-N 3.26Å; S42-I44 PolarHBondContact O-N 3.27Å
43	H	31.5	Very low	33.2	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.875	72%	0.721	S	S	*	*			trans	-69	111.3	168.3	-78.8	-77.6	0	0	0	109.1
44	I	31.4	Very low	33.3	Very low	153 Å²	153	141.5 Å²	141.5	79%	0.785	72%	0.72	S	S	*	*			trans	-90.4	146.4	167.5	-66.6	176.7	0	0	0	108.7	S42	S42-I44 PolarHBondContact O-N 3.27Å
45	S	31.4	Very low	33.5	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	74%	0.742	S	S	*	*			trans	-59.5	148.7	-172	36.6	0	0	0	0	114.4	Q47	S45-Q47 PolarHBondContact O-N 3.41Å
46	L	29.6	Very low	33.2	Very low	169 Å²	169	151.7 Å²	151.7	89%	0.885	75%	0.745	S	S	*	*			trans	-61.2	115.7	161.7	-98.2	87.9	0	0	0	109.5
47	Q	28	Very low	33.1	Very low	186 Å²	186	147.8 Å²	147.8	87%	0.869	74%	0.739	S	S	*	*			trans	-85.8	130.9	146.1	-87.5	-173.7	-29.4	0	0	108.5	S45 G49	S45-Q47 PolarHBondContact O-N 3.41Å; Q47-G49 PolarHBondContact O-N 3.42Å
48	R	37.4	Very low	33	Very low	251 Å²	251	152.7 Å²	152.7	95%	0.947	76%	0.759	S	S	*	*			trans	-73.8	114.2	171.4	-78	178.2	170.5	171.5	-4.2	108.8
49	G	30.6	Very low	32.9	Very low	66 Å²	66	156.4 Å²	156.4	68%	0.68	76%	0.761	S	S	*	*			trans	-141.2	144.5	168.3	0	0	0	0	0	109	Q47	Q47-G49 PolarHBondContact O-N 3.42Å
50	F	36	Very low	33	Very low	198 Å²	198	154.7 Å²	154.7	87%	0.868	77%	0.765	S	S	*	*	S	Bend	trans	-69.5	145.7	-171.6	-87.9	-107.8	0	0	0	113.2
51	H	40.5	Very low	32.8	Very low	167 Å²	167	151.1 Å²	151.1	77%	0.773	75%	0.754	S	S	*	*			trans	42.1	95	164.4	-66.7	-73.8	0	0	0	119.1
52	T	33.9	Very low	32.8	Very low	133 Å²	133	149.8 Å²	149.8	82%	0.816	76%	0.756	S	S	*	*				-168.5	136.1	128.8	28.6	0	0	0	0	110.1	I54	T52-I54 PolarHBondContact O-N 3.35Å
53	N	35.2	Very low	32.6	Very low	177 Å²	177	153.2 Å²	153.2	95%	0.947	77%	0.765	S	S	*	*			trans	-93.2	56.6	-173	-121.9	4.5	0	0	0	112.1
54	I	33.7	Very low	32.5	Very low	133 Å²	133	149 Å²	149	68%	0.682	76%	0.762	S	S	*	*			trans	-131.7	115	179.8	-56.1	180	0	0	0	110.5	T52 R56	T52-I54 PolarHBondContact O-N 3.35Å; I54-R56 HydrophobicContact CG2-CG 4.35Å; I54-R56 PolarHBondContact O-N 2.97Å
55	I	36.4	Very low	32.3	Very low	163 Å²	163	150.6 Å²	150.6	84%	0.836	77%	0.766	S	S	*	*			trans	-79.8	114.2	172.1	-57.5	173.5	0	0	0	108.6
56	R	28.7	Very low	32.2	Very low	233 Å²	233	151.3 Å²	151.3	88%	0.879	77%	0.772	S	S	*	*			trans	-104.7	108.6	168.6	-78.4	-175.3	170.9	177.5	-1.9	110.5	I54	I54-R56 HydrophobicContact CG2-CG 4.35Å; I54-R56 PolarHBondContact O-N 2.97Å
57	C	33.9	Very low	32	Very low	101 Å²	101	149 Å²	149	68%	0.682	77%	0.768	S	S	*	*			trans	-77.3	131.6	165.8	-72.2	0	0	0	0	110.1
58	K	30.7	Very low	32	Very low	199 Å²	199	144.8 Å²	144.8	87%	0.865	76%	0.759	S	S	*	*			trans	-105.7	120.7	172.6	-159.6	177.2	-173.2	-178.2	0	109.1
59	W	32.9	Very low	31.4	Very low	162 Å²	162	141.8 Å²	141.8	61%	0.614	75%	0.753	S	S	*	*			trans	-89.8	137	177.6	-61.7	82.9	0	0	0	109.9	W39 I41	W39-W59 HydrophobicContact CB-CZ3 4.26Å; W39-W59 HydrophobicContact CD2-CE3 4.18Å; W39-W59 HydrophobicContact CE3-CB 4.38Å; W39-W59 AromaticContact CE3-CE3 3.74Å; W39-W59 HydrophobicContact CE3-CE3 3.74Å; W39-W59 HydrophobicContact CE3-CZ3 4.48Å; W39-W59 HydrophobicContact CG-CZ3 4.47Å; W39-W59 HydrophobicContact CZ3-CB 3.96Å; W39-W59 HydrophobicContact CZ3-CE3 4.28Å; I41-W59 HydrophobicContact CG1-CZ3 4.5Å
60	T	33.3	Very low	31.2	Very low	88 Å²	88	147 Å²	147	54%	0.54	76%	0.76	S	S	.	*			trans	-126	118.3	175.9	50.8	0	0	0	0	109.9
61	K	29.3	Very low	30.6	Very low	117 Å²	117	142.7 Å²	142.7	51%	0.509	75%	0.752	S	S	.	*			trans	-80.8	135.1	172.8	-168.9	-169.1	-173.3	-162.1	0	108.9	W39 E63	W39-K61 HydrophobicContact CZ3-CB 4.42Å; K61-E63 VanDerWaalsContact CE-OE1 3.25Å; K61-E63 WeakPolarHBondContact CE-OE1 3.36Å; K61-E63 IonicContact NZ-OE1 3.16Å; K61-E63 PolarHBondContact NZ-OE1 3.41Å
62	S	31.8	Very low	29.8	Very low	95 Å²	95	145.4 Å²	145.4	66%	0.664	76%	0.757	S	S	*	*			trans	-132	128.4	167.1	62.6	0	0	0	0	109.5
63	E	27.4	Very low	29.4	Very low	135 Å²	135	144.1 Å²	144.1	63%	0.631	75%	0.754	S	S	*	*			trans	-94.1	138.7	173.4	-73.3	167.9	-171.7	0	0	109.5	K61	K61-E63 VanDerWaalsContact CE-OE1 3.25Å; K61-E63 WeakPolarHBondContact CE-OE1 3.36Å; K61-E63 IonicContact NZ-OE1 3.16Å; K61-E63 PolarHBondContact NZ-OE1 3.41Å
64	A	31.2	Very low	29.4	Very low	100 Å²	100	141 Å²	141	83%	0.826	74%	0.744	S	S	*	*			trans	-122	115.9	174.4	0	0	0	0	0	108.1
65	H	27.3	Very low	29.1	Very low	187 Å²	187	139.5 Å²	139.5	87%	0.866	75%	0.745	S	S	*	*			trans	-68.9	139.2	-179.4	-73	-86.8	0	0	0	111.6
66	S	27.9	Very low	28.9	Very low	118 Å²	118	139.1 Å²	139.1	83%	0.825	75%	0.745	S	S	*	*			trans	-92.7	139.9	169.7	53.3	0	0	0	0	111.3
67	C	25.5	Very low	29.1	Very low	121 Å²	121	137.9 Å²	137.9	82%	0.818	75%	0.748	S	S	*	*			trans	-143.4	98.6	166.1	-132.1	0	0	0	0	105.3
68	S	27.5	Very low	28.8	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	74%	0.744	S	S	*	*				88.3	142.3	60.7	85.9	0	0	0	0	113.5
69	K	24.7	Very low	28.6	Very low	187 Å²	187	135 Å²	135	81%	0.813	75%	0.748	S	S	*	*			trans	108.5	87.6	-176.4	-65.8	176.6	176.8	-177.1	0	112.9
70	H	26.3	Very low	28.2	Very low	177 Å²	177	136.2 Å²	136.2	82%	0.819	76%	0.76	S	S	*	*				81.5	103.8	83	-78.8	-50.6	0	0	0	113.2
71	C	23.4	Very low	27.8	Very low	106 Å²	106	139.2 Å²	139.2	72%	0.716	77%	0.771	S	S	*	*				170.1	137	105	-94.3	0	0	0	0	113.4
72	Y	25.4	Very low	27.5	Very low	224 Å²	224	137.2 Å²	137.2	88%	0.878	78%	0.784	S	S	*	*			trans	41.9	128.4	156.3	-66.1	-85.7	0	0	0	123.4
73	S	23.9	Very low	27.2	Very low	106 Å²	106	139.6 Å²	139.6	74%	0.741	79%	0.788	S	S	*	*			trans	-78.7	148.4	155.4	-166.7	0	0	0	0	108.2
74	P	36.4	Very low	27	Very low	113 Å²	113	141 Å²	141	73%	0.734	80%	0.799	S	S	*	*				-148.1	166.4	54.7	40.7	-20.4	0	0	0	120.3
75	S	28	Very low	26.6	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	80%	0.8	S	S	*	*			trans	86.1	144.7	153.7	79.1	0	0	0	0	120
76	N	31.2	Very low	26.5	Very low	155 Å²	155	144.4 Å²	144.4	83%	0.829	80%	0.799	S	S	*	*			trans	71.2	126.9	169.1	-64.1	-16.5	0	0	0	119.9	G78	N76-G78 PolarHBondContact O-N 3.46Å
77	H	33.2	Very low	26.3	Very low	207 Å²	207	144.7 Å²	144.7	96%	0.958	80%	0.801	S	S	*	*			trans	-73.3	116.1	-179.6	-67.9	-0.8	0	0	0	111.6
78	G	27.2	Very low	26.4	Very low	58 Å²	58	145.3 Å²	145.3	60%	0.598	80%	0.802	S	S	*	*			trans	-135.5	107.5	166.1	0	0	0	0	0	110.4	N76 H80	N76-G78 PolarHBondContact O-N 3.46Å; G78-H80 PolarHBondContact O-N 3.5Å
79	L	27.7	Very low	26.3	Very low	180 Å²	180	146.6 Å²	146.6	94%	0.942	81%	0.81	S	S	*	*			trans	-73.4	93.2	174.9	-84.7	163	0	0	0	110.2	I81	L79-I81 PolarHBondContact O-N 3.2Å
80	H	24.2	Very low	26.5	Very low	188 Å²	188	142 Å²	142	87%	0.87	81%	0.807	S	S	*	*			trans	-79.9	115.1	170.1	-82.6	-75.2	0	0	0	111.4	G78	G78-H80 PolarHBondContact O-N 3.5Å
81	I	25.1	Very low	26.6	Very low	151 Å²	151	139.7 Å²	139.7	77%	0.774	81%	0.808	S	S	*	*			trans	-86.3	108.9	174	-62.4	172.3	0	0	0	109	L79 I83	L79-I81 PolarHBondContact O-N 3.2Å; I81-I83 HydrophobicContact CG2-CG1 4.3Å
82	G	22.8	Very low	26.7	Very low	75 Å²	75	144.8 Å²	144.8	77%	0.773	82%	0.818	S	S	*	*			trans	-84.6	114.4	171.3	0	0	0	0	0	111.9
83	I	24	Very low	26.7	Very low	146 Å²	146	137.4 Å²	137.4	75%	0.749	81%	0.81	S	S	*	*			trans	-90.8	106.6	177.4	-59.2	175.5	0	0	0	109.9	I81 K85	I81-I83 HydrophobicContact CG2-CG1 4.3Å; I83-K85 PolarHBondContact O-N 3.45Å
84	L	23.8	Very low	26.8	Very low	163 Å²	163	140.9 Å²	140.9	85%	0.853	82%	0.819	S	S	*	*			trans	-86.6	104.2	170.1	-102.9	149.1	0	0	0	110.4
85	K	22.2	Very low	26.3	Very low	198 Å²	198	141.5 Å²	141.5	86%	0.861	82%	0.822	S	S	*	*			trans	-76.2	120.6	168.4	-83.1	179.7	175	174.4	0	109.7	I83	I83-K85 PolarHBondContact O-N 3.45Å
86	L	25.7	Very low	26.2	Very low	161 Å²	161	146.1 Å²	146.1	84%	0.843	83%	0.829	S	S	*	*			trans	-119.4	124	162.3	-81.1	166.7	0	0	0	109.2
87	S	23.7	Very low	26	Very low	124 Å²	124	145.3 Å²	145.3	87%	0.867	83%	0.829	S	S	*	*			trans	-96.6	127.4	-179.5	-169.7	0	0	0	0	109.4
88	T	28.7	Very low	25.8	Very low	135 Å²	135	141.7 Å²	141.7	83%	0.828	82%	0.817	S	S	*	*			trans	-135.1	119	170.6	49	0	0	0	0	111
89	S	25.7	Very low	25.9	Very low	123 Å²	123	145.9 Å²	145.9	86%	0.86	82%	0.824	S	S	*	*			trans	-78.5	153.2	170.8	46.7	0	0	0	0	110.7
90	A	27.2	Very low	25.9	Very low	91 Å²	91	143 Å²	143	75%	0.752	82%	0.818	S	S	*	*			trans	-124.9	134.6	176.4	0	0	0	0	0	110.6
91	P	28.9	Very low	26.1	Very low	129 Å²	129	141.4 Å²	141.4	84%	0.838	81%	0.813	S	S	*	*			trans	-80.8	148	166.9	32	-30.6	0	0	0	111.1
92	K	26.6	Very low	26.5	Very low	212 Å²	212	138.9 Å²	138.9	92%	0.922	81%	0.808	S	S	*	*			trans	-94.5	147	177.9	-67.8	170.6	178.2	169.8	0	110.7
93	G	24.8	Very low	27.1	Very low	69 Å²	69	146 Å²	146	71%	0.711	81%	0.812	S	S	*	*			trans	118.9	114.5	151.2	0	0	0	0	0	116
94	L	26	Very low	27.8	Very low	179 Å²	179	144.5 Å²	144.5	94%	0.937	80%	0.804	S	S	*	*				-158.9	154.4	107.8	-126.7	98.7	0	0	0	110
95	T	26.7	Very low	28.3	Very low	127 Å²	127	144.4 Å²	144.4	78%	0.779	80%	0.797	S	S	*	*			trans	-119.1	168.1	-175.5	42.4	0	0	0	0	111.9
96	K	25.9	Very low	29.1	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.857	78%	0.779	S	S	*	*			trans	88.1	144.7	166.2	-72.2	-178.6	168.2	177	0	120
97	V	26.3	Very low	29.6	Very low	138 Å²	138	134.8 Å²	134.8	84%	0.836	77%	0.765	S	S	*	*			trans	91	129.4	162.4	-167.8	0	0	0	0	116.4
98	N	27.7	Very low	30.3	Very low	131 Å²	131	134.9 Å²	134.9	70%	0.701	76%	0.755	S	S	*	*			cis	-176.8	152.4	-41.5	-130	-5.7	0	0	0	106.4
99	I	30	Very low	30.6	Very low	146 Å²	146	133.4 Å²	133.4	75%	0.749	74%	0.742	S	S	*	*			trans	45.8	96.3	147	-52.8	159.7	0	0	0	118.3
100	C	28.1	Very low	31.1	Very low	120 Å²	120	131.5 Å²	131.5	81%	0.811	73%	0.728	S	S	*	*				-167.3	119.3	118	-168.7	0	0	0	0	108.9
101	M	28.8	Very low	31.6	Very low	155 Å²	155	131.1 Å²	131.1	76%	0.764	72%	0.716	S	S	*	*			trans	154	36.7	167.7	-87	-81.4	-161.8	0	0	113.1	I104	M101-I104 HydrophobicContact SD-CD1 4.34Å
102	S	34	Very low	31.9	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	70%	0.7	S	S	*	*	S	Bend	trans	-98.2	-4.9	175.3	54.2	0	0	0	0	114.7
103	R	34.6	Very low	32.4	Very low	223 Å²	223	126.9 Å²	126.9	84%	0.842	69%	0.694	S	S	*	*	S	Bend	trans	-102.6	0.3	-172.4	-75	-173.1	171.7	179.8	-2.6	116.8
104	I	38.8	Very low	33.2	Very low	116 Å²	116	127.6 Å²	127.6	60%	0.595	69%	0.693	S	S	*	*	S	Bend	trans	-105.8	-13.2	176.4	-64.8	172.7	0	0	0	112	M101 T107	M101-I104 HydrophobicContact SD-CD1 4.34Å; I104-T107 PolarHBondContact O-OG1 3.22Å
105	K	34.4	Very low	33.9	Very low	160 Å²	160	124.6 Å²	124.6	70%	0.696	68%	0.677	S	S	*	*	H	α-helix	trans	-94.6	-10.6	-174.7	-149.9	172.3	-175.2	178.5	0	114.8	N109	K105-N109 PolarHBondContact O-ND2 3.5Å
106	S	38	Very low	34.5	Very low	70 Å²	70	127.1 Å²	127.1	49%	0.49	68%	0.677	S	S	.	*	H	α-helix	trans	-84	-39.3	176.3	54.1	0	0	0	0	112.7	N109 S110	S106-N109 PolarHBondContact O-N 3.43Å; S106-S110 PolarHBondContact O-N 3.19Å; S106-S110 VanDerWaalsContact O-N 3.09Å; S106-S110 PolarHBondContact O-OG 3.04Å
107	T	36.3	Very low	34.9	Very low	88 Å²	88	120.5 Å²	120.5	54%	0.54	67%	0.666	S	S	.	*	H	α-helix	trans	-65.4	-45.7	-178	35.9	0	0	0	0	113	I104 N109 S110 V111	I104-T107 PolarHBondContact O-OG1 3.22Å; T107-N109 VanDerWaalsContact C-N 3.34Å; T107-N109 PolarHBondContact O-N 3.43Å; T107-S110 PolarHBondContact O-N 3.12Å; T107-V111 WeakPolarHBondContact O-CG2 3.49Å; T107-V111 PolarHBondContact O-N 3.28Å
108	L	38.2	Very low	35.4	Very low	126 Å²	126	120 Å²	120	66%	0.66	66%	0.658	S	S	*	*	H	α-helix	trans	-66.1	-32.5	176.7	-88.7	162.5	0	0	0	113.6	S112	L108-S112 WeakPolarHBondContact O-CB 3.44Å; L108-S112 PolarHBondContact O-N 2.99Å
109	N	35.3	Very low	36	Very low	103 Å²	103	124.8 Å²	124.8	55%	0.551	67%	0.666	S	S	*	*	H	α-helix	trans	-75.6	-31.2	177.6	-83.2	-25.2	0	0	0	113.1	K105 S106 T107 K113	K105-N109 PolarHBondContact O-ND2 3.5Å; S106-N109 PolarHBondContact O-N 3.43Å; T107-N109 VanDerWaalsContact C-N 3.34Å; T107-N109 PolarHBondContact O-N 3.43Å; N109-K113 PolarHBondContact O-N 3.05Å
110	S	37.4	Very low	36.4	Very low	83 Å²	83	124.2 Å²	124.2	58%	0.58	67%	0.665	S	S	*	*	H	α-helix	trans	-69.1	-40.6	171.5	-69.2	0	0	0	0	112.2	S106 T107 K113 A114	S106-S110 PolarHBondContact O-N 3.19Å; S106-S110 VanDerWaalsContact O-N 3.09Å; S106-S110 PolarHBondContact O-OG 3.04Å; T107-S110 PolarHBondContact O-N 3.12Å; S110-K113 PolarHBondContact O-N 2.99Å; S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.11Å; S110-A114 VanDerWaalsContact O-N 3.12Å
111	V	36.5	Very low	37	Very low	83 Å²	83	124 Å²	124	50%	0.503	65%	0.652	S	S	.	*	H	α-helix	trans	-68	-40.5	177.5	175.9	0	0	0	0	111.5	T107 K113 A114 I115	T107-V111 WeakPolarHBondContact O-CG2 3.49Å; T107-V111 PolarHBondContact O-N 3.28Å; V111-K113 PolarHBondContact O-N 3.4Å; V111-A114 PolarHBondContact O-N 3.37Å; V111-I115 HydrophobicContact CG1-CD1 3.88Å; V111-I115 WeakPolarHBondContact O-CG1 3.37Å; V111-I115 PolarHBondContact O-N 3.07Å
112	S	35.4	Very low	37.2	Very low	72 Å²	72	123.3 Å²	123.3	50%	0.503	65%	0.648	S	S	.	*	H	α-helix	trans	-65.3	-37.7	177.4	-171.7	0	0	0	0	112.9	L108	L108-S112 WeakPolarHBondContact O-CB 3.44Å; L108-S112 PolarHBondContact O-N 2.99Å
113	K	37.4	Very low	37.5	Very low	180 Å²	180	124.3 Å²	124.3	78%	0.783	65%	0.645	S	S	*	*	H	α-helix	trans	-70.8	-29.4	173.9	-89.4	-169.7	172	-173.1	0	114.2	N109 S110 V111 I115	N109-K113 PolarHBondContact O-N 3.05Å; S110-K113 PolarHBondContact O-N 2.99Å; V111-K113 PolarHBondContact O-N 3.4Å; K113-I115 VanDerWaalsContact C-N 3.31Å; K113-I115 PolarHBondContact O-N 3.25Å
114	A	42.3	Very low	37.6	Very low	85 Å²	85	117 Å²	117	70%	0.702	63%	0.628	S	S	*	*	H	α-helix	trans	-73.1	-21.3	179.3	0	0	0	0	0	113.7	S110 V111	S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.11Å; S110-A114 VanDerWaalsContact O-N 3.12Å; V111-A114 PolarHBondContact O-N 3.37Å
115	I	40.7	Very low	37.4	Very low	115 Å²	115	120.3 Å²	120.3	59%	0.59	63%	0.633	S	S	*	*	H	α-helix	trans	-103.8	-19.1	-171.9	-62.8	173.5	0	0	0	112.8	V111 K113	V111-I115 HydrophobicContact CG1-CD1 3.88Å; V111-I115 WeakPolarHBondContact O-CG1 3.37Å; V111-I115 PolarHBondContact O-N 3.07Å; K113-I115 VanDerWaalsContact C-N 3.31Å; K113-I115 PolarHBondContact O-N 3.25Å
116	F	39.5	Very low	37.5	Very low	180 Å²	180	119.5 Å²	119.5	79%	0.789	64%	0.635	S	S	*	*	S	Bend	trans	-123.2	24.8	-176	-74.4	-80.4	0	0	0	115.1
117	G	32.8	Very low	37.3	Very low	59 Å²	59	120 Å²	120	61%	0.608	64%	0.643	S	S	*	*			trans	-80.3	114	175.8	0	0	0	0	0	114.6
118	N	38	Very low	37.3	Very low	127 Å²	127	123.5 Å²	123.5	68%	0.679	65%	0.654	S	S	*	*			trans	31.3	115.7	158.3	-85.5	-9.9	0	0	0	121.4	N120 E121	N118-N120 PolarHBondContact O-N 3.41Å; N118-E121 PolarHBondContact O-N 2.99Å
119	R	39	Very low	36.8	Very low	232 Å²	232	127 Å²	127	88%	0.875	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-18.1	167.8	-106.2	-179.4	176.9	178.7	-1.2	116
120	N	39.8	Very low	36.4	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-11.2	-176	-70.5	3.3	0	0	0	114.1	N118	N118-N120 PolarHBondContact O-N 3.41Å
121	E	40.2	Very low	36.1	Very low	115 Å²	115	133.4 Å²	133.4	54%	0.537	69%	0.689	S	S	.	*	H	α-helix	trans	-88.9	-15.7	179.5	-157	174.2	164.2	0	0	112.8	N118 S124	N118-E121 PolarHBondContact O-N 2.99Å; E121-S124 PolarHBondContact O-OG 2.9Å; E121-S124 VanDerWaalsContact O-OG 3.06Å
122	M	33.6	Very low	35.6	Very low	141 Å²	141	135.3 Å²	135.3	70%	0.695	71%	0.706	S	S	*	*	H	α-helix	trans	-76.5	-26.9	175.5	-159.5	175.7	-70.3	0	0	112.3	L126	M122-L126 PolarHBondContact O-N 2.92Å
123	I	38.8	Very low	35.2	Very low	119 Å²	119	137.5 Å²	137.5	61%	0.61	72%	0.722	S	S	*	*	H	α-helix	trans	-78.9	-33	-179.1	-59.5	178.8	0	0	0	111.4	R125 A127	I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.46Å; I123-A127 PolarHBondContact O-N 3.24Å
124	S	37.1	Very low	34.6	Very low	69 Å²	69	137.5 Å²	137.5	48%	0.483	72%	0.724	S	S	.	*	H	α-helix	trans	-70.5	-28.1	175.5	57.7	0	0	0	0	113.3	E121	E121-S124 PolarHBondContact O-OG 2.9Å; E121-S124 VanDerWaalsContact O-OG 3.06Å
125	R	35.1	Very low	34	Very low	186 Å²	186	140.6 Å²	140.6	70%	0.702	73%	0.728	S	S	*	*	H	α-helix	trans	-84.9	-21.7	176.3	-66.9	-165.7	180	-142.8	1.1	114.5	I123 A127	I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.46Å; R125-A127 VanDerWaalsContact C-N 3.29Å
126	L	36.1	Very low	33.2	Very low	143 Å²	143	143.5 Å²	143.5	75%	0.749	74%	0.743	S	S	*	*	H	α-helix	trans	-77	-14	170.2	-82.7	162.7	0	0	0	113.2	M122	M122-L126 PolarHBondContact O-N 2.92Å
127	A	33.5	Very low	32.5	Very low	80 Å²	80	146.1 Å²	146.1	66%	0.661	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-5.4	179.4	0	0	0	0	0	114.9	I123 R125	I123-A127 PolarHBondContact O-N 3.24Å; R125-A127 VanDerWaalsContact C-N 3.29Å
128	Q	36.3	Very low	32.2	Very low	162 Å²	162	152.6 Å²	152.6	76%	0.757	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	8.9	-172.9	-85.2	-171.8	-19.6	0	0	116.2
129	F	27.9	Very low	31.6	Very low	200 Å²	200	152.8 Å²	152.8	88%	0.877	77%	0.765	S	S	*	*			trans	-123.6	78.7	168.9	-78.4	-78.9	0	0	0	111.9
130	K	28.2	Very low	31	Very low	197 Å²	197	146.7 Å²	146.7	86%	0.857	76%	0.758	S	S	*	*			trans	-112.6	122.9	154.4	-107.1	-175.5	176.3	-178.4	0	108.2
131	P	29.1	Very low	30.4	Very low	124 Å²	124	147.7 Å²	147.7	81%	0.805	76%	0.763	S	S	*	*			trans	-67	141.5	172.5	28	-32.8	0	0	0	110.2	S133	P131-S133 PolarHBondContact O-N 3.4Å
132	S	26.6	Very low	29.8	Very low	122 Å²	122	148 Å²	148	85%	0.853	78%	0.778	S	S	*	*			trans	-64.3	114.5	177.9	49.4	0	0	0	0	111.5
133	S	27.7	Very low	29.4	Very low	119 Å²	119	144.8 Å²	144.8	83%	0.832	78%	0.781	S	S	*	*			trans	-79.8	118	165.5	55.5	0	0	0	0	110	P131	P131-S133 PolarHBondContact O-N 3.4Å
134	Q	25.5	Very low	28.8	Very low	179 Å²	179	151.1 Å²	151.1	84%	0.836	80%	0.797	S	S	*	*			trans	-123.1	138.3	162.9	-135.2	179.5	6.9	0	0	109.4
135	I	28.1	Very low	28.3	Very low	151 Å²	151	154.8 Å²	154.8	77%	0.774	81%	0.811	S	S	*	*			trans	71.4	87.3	168.8	-47.2	168.8	0	0	0	115.1
136	L	25.4	Very low	28	Very low	175 Å²	175	154.9 Å²	154.9	92%	0.916	82%	0.816	S	S	*	*			trans	-110.1	107.4	152.8	-150.1	159.3	0	0	0	106.6
137	R	24.9	Very low	27.8	Very low	235 Å²	235	157 Å²	157	89%	0.887	82%	0.822	S	S	*	*			trans	-101	119.8	179.2	-160	176	-170.4	173.6	2.9	109.4
138	K	26.1	Very low	27.6	Very low	195 Å²	195	162.3 Å²	162.3	85%	0.848	83%	0.83	S	S	*	*			trans	-49.4	134.2	171.4	-86.8	175.2	162.1	-179.8	0	112.7
139	V	23.9	Very low	27.5	Very low	132 Å²	132	160.9 Å²	160.9	80%	0.8	83%	0.828	S	S	*	*			trans	-166.4	93.3	139.9	174.2	0	0	0	0	104.1
140	S	27.2	Very low	27.9	Very low	103 Å²	103	158.3 Å²	158.3	72%	0.72	82%	0.822	S	S	*	*				67.2	139	87	73.7	0	0	0	0	115.9
141	D	26.9	Very low	28.1	Very low	155 Å²	155	158.2 Å²	158.2	83%	0.829	82%	0.821	S	S	*	*			trans	-57.9	150.9	-175.8	-57.3	-81.3	0	0	0	115.4
142	S	28.6	Very low	28.4	Very low	121 Å²	121	159.6 Å²	159.6	85%	0.846	82%	0.817	S	S	*	*				151	150.5	117.9	58.9	0	0	0	0	114
143	G	25.5	Very low	28.7	Very low	73 Å²	73	157.2 Å²	157.2	75%	0.753	81%	0.805	S	S	*	*			trans	68.6	97.2	139.4	0	0	0	0	0	120.2
144	W	24.3	Very low	29.2	Very low	253 Å²	253	157.9 Å²	157.9	96%	0.958	80%	0.798	S	S	*	*			trans	18.6	122.2	132.4	-103.4	41.7	0	0	0	119.2
145	L	27.2	Very low	29.6	Very low	146 Å²	146	158 Å²	158	76%	0.764	80%	0.795	S	S	*	*				-171.9	127	129.6	-101.7	154.6	0	0	0	114.8
146	K	29.1	Very low	30	Very low	187 Å²	187	155.3 Å²	155.3	81%	0.813	79%	0.79	S	S	*	*			trans	51.3	117.2	149.5	-77.2	167.9	-167.4	168.3	0	122.3	K148	K146-K148 PolarHBondContact O-N 3.06Å
147	Q	31.6	Very low	30.4	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	79%	0.786	S	S	*	*			trans	-29.4	126.9	140.4	-70.5	171	-24.2	0	0	115.3
148	K	29.3	Very low	30.7	Very low	190 Å²	190	153 Å²	153	83%	0.826	79%	0.786	S	S	*	*				-174.8	162.4	125.8	-100.8	165.9	-176.8	-179	0	109.3	K146	K146-K148 PolarHBondContact O-N 3.06Å
149	N	35.2	Very low	30.9	Very low	132 Å²	132	152.8 Å²	152.8	71%	0.706	79%	0.785	S	S	*	*	S	Bend	trans	83.6	29.7	167.8	-53.3	-10.8	0	0	0	120.7
150	I	34.8	Very low	31.1	Very low	147 Å²	147	158 Å²	158	75%	0.754	79%	0.792	S	S	*	*	S	Bend	trans	-118.3	44.9	153.5	-44	-178.9	0	0	0	110.6
151	K	32.7	Very low	31.2	Very low	194 Å²	194	158.3 Å²	158.3	84%	0.843	79%	0.794	S	S	*	*	S	Bend	trans	-122.3	6	169.8	-98.2	-175.9	175.6	-180	0	113.8
152	Q	36.1	Very low	31.2	Very low	154 Å²	154	158.8 Å²	158.8	72%	0.72	80%	0.797	S	S	*	*	S	Bend	trans	-111.7	-24.7	-179.6	-104.3	166.2	-33.6	0	0	114.5
153	A	33.1	Very low	31.2	Very low	72 Å²	72	162.8 Å²	162.8	60%	0.595	80%	0.799	S	S	*	*	S	Bend	trans	-80.9	-21.2	-179.1	0	0	0	0	0	115	S156	A153-S156 PolarHBondContact O-OG 3.18Å
154	I	38.7	Very low	31.3	Very low	132 Å²	132	164.3 Å²	164.3	68%	0.677	80%	0.798	S	S	*	*	S	Bend	trans	-92	-10.9	179.6	-62.3	175.3	0	0	0	111.5	S156	I154-S156 VanDerWaalsContact C-N 3.31Å; I154-S156 PolarHBondContact O-N 3.11Å
155	K	33.4	Very low	31.5	Very low	182 Å²	182	156.5 Å²	156.5	79%	0.791	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-6.1	-176.7	-151.9	173.9	-177.6	-176.5	0	113.8
156	S	35.7	Very low	31.5	Very low	94 Å²	94	156.9 Å²	156.9	66%	0.657	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-9	-179.1	37.9	0	0	0	0	114.7	A153 I154	A153-S156 PolarHBondContact O-OG 3.18Å; I154-S156 VanDerWaalsContact C-N 3.31Å; I154-S156 PolarHBondContact O-N 3.11Å
157	L	34.2	Very low	31.4	Very low	161 Å²	161	156.2 Å²	156.2	84%	0.843	78%	0.782	S	S	*	*	S	Bend	trans	-106.8	16.8	179.1	-90	162.3	0	0	0	113.9
158	K	30.5	Very low	31	Very low	200 Å²	200	152.3 Å²	152.3	87%	0.87	78%	0.776	S	S	*	*	S	Bend	trans	-123.3	45.7	179	-128.6	-177	-174.6	-170.2	0	112.8
159	K	31.5	Very low	31.5	Very low	192 Å²	192	148.8 Å²	148.8	84%	0.835	77%	0.773	S	S	*	*	S	Bend	trans	-145.4	90.3	172	-113.4	-172.9	175.5	-173.3	0	108.9
160	Y	28.4	Very low	30.9	Very low	240 Å²	240	151.9 Å²	151.9	94%	0.941	78%	0.78	S	S	*	*	S	Bend	trans	150.9	94.4	158.2	-96.3	-72.3	0	0	0	108.9
161	S	27.8	Very low	31.1	Very low	111 Å²	111	149.2 Å²	149.2	78%	0.776	77%	0.772	S	S	*	*			trans	150.8	83.1	160.2	175.1	0	0	0	0	108.9
162	D	27.4	Very low	30.7	Very low	164 Å²	164	148 Å²	148	88%	0.877	77%	0.77	S	S	*	*			trans	-167.8	118.3	154.1	-98.3	-28.3	0	0	0	110.3
163	K	29.3	Very low	30.1	Very low	205 Å²	205	146.6 Å²	146.6	89%	0.891	76%	0.763	S	S	*	*			trans	147.9	134	169.4	-89.8	175.6	-177.8	-170.4	0	107.4
164	S	27.7	Very low	29.7	Very low	106 Å²	106	151.1 Å²	151.1	74%	0.741	77%	0.769	S	S	*	*			cis	-170.5	152.5	-0.6	44.4	0	0	0	0	112.1
165	A	28.4	Very low	29	Very low	89 Å²	89	149.1 Å²	149.1	74%	0.736	77%	0.767	S	S	*	*			trans	65.8	115.3	145.3	0	0	0	0	0	122.8
166	E	26.1	Very low	28.5	Very low	153 Å²	153	148.4 Å²	148.4	72%	0.715	77%	0.766	S	S	*	*				54.2	133.4	124.8	-69.4	-157	138.8	0	0	125.9
167	K	26.6	Very low	28.1	Very low	173 Å²	173	150.3 Å²	150.3	75%	0.752	77%	0.768	S	S	*	*			trans	86.6	144.7	138.9	-75.4	164.2	-174.9	147.9	0	121.5
168	S	24.2	Very low	27.7	Very low	108 Å²	108	149 Å²	149	76%	0.755	76%	0.76	S	S	*	*			trans	-86.8	178.3	-178.1	49.4	0	0	0	0	111.4
169	P	39	Very low	27.4	Very low	116 Å²	116	144.9 Å²	144.9	75%	0.753	75%	0.748	S	S	*	*			cis	-144	-171.7	24.6	41.8	-19	0	0	0	119
170	F	22.8	Very low	27.1	Very low	197 Å²	197	143 Å²	143	86%	0.864	74%	0.739	S	S	*	*			trans	-42.7	176.1	166.7	-69.2	-83.1	0	0	0	116.8
171	P	39.4	Very low	27	Very low	90 Å²	90	139.6 Å²	139.6	58%	0.584	73%	0.732	S	S	*	*			cis	-140.6	-166	13.9	38.6	-16.1	0	0	0	116.7
172	E	24.5	Very low	26.9	Very low	169 Å²	169	141.8 Å²	141.8	79%	0.79	73%	0.73	S	S	*	*			trans	68.7	156.2	144.6	-84.1	159.4	-144.2	0	0	120
173	E	23.6	Very low	26.9	Very low	125 Å²	125	139.8 Å²	139.8	58%	0.584	72%	0.719	S	S	*	*			cis	-166.1	153.5	-26.4	-137.2	-166.7	163.7	0	0	107.4
174	K	24.1	Very low	26.7	Very low	166 Å²	166	142.3 Å²	142.3	72%	0.722	72%	0.723	S	S	*	*			trans	61.1	161.7	157.8	-71.9	161.1	-174.2	150.5	0	115.8
175	S	24	Very low	26.6	Very low	90 Å²	90	140.6 Å²	140.6	63%	0.629	72%	0.723	S	S	*	*			cis	-162	170	-15.3	44.8	0	0	0	0	109.3
176	H	24.2	Very low	26.7	Very low	168 Å²	168	146 Å²	146	78%	0.778	73%	0.73	S	S	*	*			trans	21.2	142.2	132.7	-61	-55.5	0	0	0	119.5
177	I	25.8	Very low	26.6	Very low	134 Å²	134	149.8 Å²	149.8	69%	0.687	74%	0.737	S	S	*	*			cis	-173.2	152.3	24.6	-123.9	166	0	0	0	110.1
178	I	25.8	Very low	26.6	Very low	133 Å²	133	146.6 Å²	146.6	68%	0.682	74%	0.737	S	S	*	*			trans	38.4	129.6	138.4	-58.5	167	0	0	0	118.4
179	D	25.1	Very low	26.8	Very low	114 Å²	114	149.7 Å²	149.7	61%	0.61	74%	0.744	S	S	*	*				-178.4	167.2	71.3	-144.4	-7.4	0	0	0	116.3
180	K	25.7	Very low	26.4	Very low	151 Å²	151	153.4 Å²	153.4	66%	0.657	75%	0.748	S	S	*	*			trans	63.6	123.1	157.7	-75.4	149.7	-176.8	139.2	0	119.9
181	E	24.8	Very low	26.8	Very low	170 Å²	170	152.8 Å²	152.8	79%	0.794	75%	0.748	S	S	*	*				63.7	131.4	73.3	-67.5	-175.6	153.5	0	0	112.7
182	E	27.2	Very low	26.2	Very low	156 Å²	156	158.1 Å²	158.1	73%	0.729	76%	0.758	S	S	*	*			cis	-161.3	167.9	18.2	-138.9	-164.2	166.4	0	0	112.7
183	N	25.9	Very low	26.7	Very low	122 Å²	122	156.1 Å²	156.1	65%	0.652	76%	0.757	S	S	*	*			trans	55.5	106	150.3	-78.3	-43	0	0	0	123.5
184	R	26.7	Very low	27	Very low	258 Å²	258	157.2 Å²	157.2	97%	0.974	77%	0.767	S	S	*	*				-172.9	143.7	117.3	-104	174.5	-167.5	-147.1	3.3	112.8
185	G	25.6	Very low	27.6	Very low	71 Å²	71	155.1 Å²	155.1	73%	0.732	76%	0.763	S	S	*	*			trans	-105	170.1	-173.1	0	0	0	0	0	116.9
186	K	28.8	Very low	28.3	Very low	202 Å²	202	157 Å²	157	88%	0.878	76%	0.764	S	S	*	*			trans	66.2	101	165.1	-62.4	178.5	177.6	173.2	0	118.5
187	R	25	Very low	29	Very low	233 Å²	233	154.2 Å²	154.2	88%	0.879	76%	0.759	S	S	*	*				174	140.7	103.8	-95.9	169.9	173.3	168.1	-2.4	114.9
188	S	26.2	Very low	29.7	Very low	105 Å²	105	153.3 Å²	153.3	73%	0.734	76%	0.76	S	S	*	*			trans	42.1	102.6	153.7	59.5	0	0	0	0	121.1
189	L	28.5	Very low	30.6	Very low	173 Å²	173	153 Å²	153	91%	0.906	75%	0.754	S	S	*	*			trans	-90.2	90.8	154.7	-78.5	168.3	0	0	0	110.6
190	F	31.7	Very low	31.5	Very low	194 Å²	194	154.6 Å²	154.6	85%	0.851	76%	0.756	S	S	*	*			trans	-151.6	73.1	165.8	-86.3	-65.4	0	0	0	112
191	H	29.5	Very low	32.5	Very low	184 Å²	184	150.1 Å²	150.1	85%	0.852	75%	0.752	S	S	*	*			trans	-151	79	163.3	-85.4	-56.5	0	0	0	111.5
192	Y	28.6	Very low	33.7	Very low	203 Å²	203	147.8 Å²	147.8	80%	0.796	74%	0.741	S	S	*	*			trans	-154.1	56.9	165.7	-107.7	-71.3	0	0	0	112.7	I195	Y192-I195 HydrophobicContact CE1-CD1 4.19Å
193	T	33.6	Very low	34.8	Very low	127 Å²	127	143.9 Å²	143.9	78%	0.779	73%	0.731	S	S	*	*			trans	-135.8	32.1	179.1	43	0	0	0	0	114.2
194	N	30.5	Very low	35.9	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	73%	0.732	S	S	*	*	S	Bend	trans	-129.4	13	176.1	-96.3	-12.6	0	0	0	115.3
195	I	36.1	Very low	37	Very low	123 Å²	123	140.8 Å²	140.8	63%	0.631	72%	0.716	S	S	*	*	S	Bend	trans	-113.8	-18	180	-65.7	178.6	0	0	0	113.1	Y192	Y192-I195 HydrophobicContact CE1-CD1 4.19Å
196	I	38.7	Very low	38.7	Very low	129 Å²	129	144.6 Å²	144.6	66%	0.662	71%	0.713	S	S	*	*	S	Bend	trans	-86.3	-18.2	-172.8	-64	176.1	0	0	0	113	T198	I196-T198 PolarHBondContact O-N 3.5Å
197	T	38.5	Very low	39.8	Very low	109 Å²	109	139.4 Å²	139.4	67%	0.669	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-7.3	-169	41.1	0	0	0	0	115.9
198	T	42.3	Very low	41.3	Very low	115 Å²	115	130.4 Å²	130.4	71%	0.706	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-1.8	-172.2	50.7	0	0	0	0	115.9	I196	I196-T198 PolarHBondContact O-N 3.5Å
199	K	43.6	Very low	42.9	Very low	128 Å²	128	128.8 Å²	128.8	56%	0.557	65%	0.65	S	S	*	*			trans	-116	4.1	-175	-73.4	-156.1	165.5	-141.1	0	117.7	G201 E202 S203	K199-G201 VanDerWaalsContact C-N 3.28Å; K199-G201 PolarHBondContact O-N 3.04Å; K199-E202 WeakPolarHBondContact CD-OE2 3.49Å; K199-E202 WeakPolarHBondContact CE-OE2 3.47Å; K199-E202 IonicContact NZ-OE2 3.69Å; K199-E202 PolarHBondContact NZ-OE2 3.31Å; K199-E202 PolarHBondContact O-N 3.48Å; K199-S203 PolarHBondContact O-N 3.49Å; K199-S203 PolarHBondContact O-OG 3.22Å
200	F	44	Very low	44.5	Very low	147 Å²	147	126.2 Å²	126.2	65%	0.645	63%	0.633	S	S	*	*	H	α-helix	trans	-61.1	-32.3	178.6	-97.4	-86.7	0	0	0	114.2	F204	F200-F204 PolarHBondContact O-N 3.3Å
201	G	47.1	Very low	45.9	Very low	57 Å²	57	120.6 Å²	120.6	59%	0.588	61%	0.611	S	S	*	*	H	α-helix	trans	-67.6	-41.3	178.8	0	0	0	0	0	113.7	K199 F204 Y205	K199-G201 VanDerWaalsContact C-N 3.28Å; K199-G201 PolarHBondContact O-N 3.04Å; G201-F204 PolarHBondContact O-N 3.08Å; G201-Y205 PolarHBondContact O-N 3.06Å; G201-Y205 VanDerWaalsContact O-N 3.11Å
202	E	50.8	Low	47.6	Very low	120 Å²	120	116.3 Å²	116.3	56%	0.561	60%	0.595	S	S	*	*	H	α-helix	trans	-64.6	-42.3	178.8	-61.5	-174.3	149.2	0	0	111	K199 F204 Y205 F206	K199-E202 WeakPolarHBondContact CD-OE2 3.49Å; K199-E202 WeakPolarHBondContact CE-OE2 3.47Å; K199-E202 IonicContact NZ-OE2 3.69Å; K199-E202 PolarHBondContact NZ-OE2 3.31Å; K199-E202 PolarHBondContact O-N 3.48Å; E202-F204 PolarHBondContact O-N 3.36Å; E202-Y205 PolarHBondContact O-N 3.5Å; E202-F206 WeakPolarHBondContact O-CB 3.32Å; E202-F206 PolarHBondContact O-N 2.96Å
203	S	49.9	Very low	49.2	Very low	75 Å²	75	109.7 Å²	109.7	52%	0.524	58%	0.578	S	S	.	*	H	α-helix	trans	-62.8	-39.5	177.4	-55.2	0	0	0	0	112.7	K199 L207	K199-S203 PolarHBondContact O-N 3.49Å; K199-S203 PolarHBondContact O-OG 3.22Å; S203-L207 VanDerWaalsContact O-CB 3.32Å; S203-L207 WeakPolarHBondContact O-CB 3.48Å; S203-L207 PolarHBondContact O-N 3.03Å
204	F	49.2	Very low	50.6	Low	153 Å²	153	110.5 Å²	110.5	67%	0.671	57%	0.568	S	S	*	*	H	α-helix	trans	-69.7	-41	178.4	-121	-84.8	0	0	0	112.4	F200 G201 E202 L207 S208	F200-F204 PolarHBondContact O-N 3.3Å; G201-F204 PolarHBondContact O-N 3.08Å; E202-F204 PolarHBondContact O-N 3.36Å; F204-L207 PolarHBondContact O-N 3.17Å; F204-S208 WeakPolarHBondContact O-CB 3.32Å; F204-S208 PolarHBondContact O-N 2.89Å; F204-S208 PolarHBondContact O-OG 3.48Å
205	Y	49.4	Very low	51.9	Low	162 Å²	162	109.2 Å²	109.2	64%	0.635	56%	0.556	S	S	*	*	H	α-helix	trans	-66.1	-38.5	176.3	-175	-104.2	0	0	0	112.3	G201 E202 S208 N209	G201-Y205 PolarHBondContact O-N 3.06Å; G201-Y205 VanDerWaalsContact O-N 3.11Å; E202-Y205 PolarHBondContact O-N 3.5Å; Y205-S208 PolarHBondContact O-OG 2.97Å; Y205-S208 VanDerWaalsContact O-OG 3.11Å; Y205-N209 WeakPolarHBondContact CE1-ND2 3.29Å; Y205-N209 WeakPolarHBondContact O-CB 3.37Å; Y205-N209 PolarHBondContact O-N 3.37Å; Y205-N209 PolarHBondContact OH-ND2 3.04Å
206	F	60	Low	52.8	Low	150 Å²	150	110.2 Å²	110.2	66%	0.658	56%	0.555	S	S	*	*	H	α-helix	trans	-66.4	-43.6	174.7	-166.1	-90.9	0	0	0	111.7	E202 N209 H210	E202-F206 WeakPolarHBondContact O-CB 3.32Å; E202-F206 PolarHBondContact O-N 2.96Å; F206-N209 PolarHBondContact O-N 2.9Å; F206-H210 WeakPolarHBondContact O-CB 3.11Å; F206-H210 PolarHBondContact O-N 3.38Å
207	L	52.5	Low	53.3	Low	93 Å²	93	112.9 Å²	112.9	49%	0.487	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-43.9	178.1	-175.5	61.6	0	0	0	112.1	S203 F204 H210 I211	S203-L207 VanDerWaalsContact O-CB 3.32Å; S203-L207 WeakPolarHBondContact O-CB 3.48Å; S203-L207 PolarHBondContact O-N 3.03Å; F204-L207 PolarHBondContact O-N 3.17Å; L207-H210 PolarHBondContact O-N 3.04Å; L207-I211 HydrophobicContact CD1-CD1 4.1Å; L207-I211 HydrophobicContact CD1-CG1 4.44Å; L207-I211 HydrophobicContact CG-CD1 3.95Å; L207-I211 WeakPolarHBondContact O-CB 3.36Å; L207-I211 VanDerWaalsContact O-CG1 3.29Å; L207-I211 WeakPolarHBondContact O-CG1 3.42Å; L207-I211 PolarHBondContact O-N 2.89Å
208	S	55.8	Low	53.7	Low	45 Å²	45	114.2 Å²	114.2	32%	0.315	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-40.2	177.3	66.6	0	0	0	0	112.1	F204 Y205 I211 N212	F204-S208 WeakPolarHBondContact O-CB 3.32Å; F204-S208 PolarHBondContact O-N 2.89Å; F204-S208 PolarHBondContact O-OG 3.48Å; Y205-S208 PolarHBondContact O-OG 2.97Å; Y205-S208 VanDerWaalsContact O-OG 3.11Å; S208-I211 PolarHBondContact O-N 3.49Å; S208-N212 VanDerWaalsContact O-CB 3.27Å; S208-N212 WeakPolarHBondContact O-CB 3.26Å; S208-N212 PolarHBondContact O-N 3.26Å; S208-N212 PolarHBondContact O-ND2 3.08Å
209	N	60.1	Low	54	Low	71 Å²	71	114.5 Å²	114.5	38%	0.38	55%	0.547	S	S	.	.	H	α-helix	trans	-66.4	-37	173.9	-81.9	-17.4	0	0	0	112.8	Y205 F206 S213	Y205-N209 WeakPolarHBondContact CE1-ND2 3.29Å; Y205-N209 WeakPolarHBondContact O-CB 3.37Å; Y205-N209 PolarHBondContact O-N 3.37Å; Y205-N209 PolarHBondContact OH-ND2 3.04Å; F206-N209 PolarHBondContact O-N 2.9Å; N209-S213 WeakPolarHBondContact O-CB 3.48Å; N209-S213 PolarHBondContact O-N 3.44Å
210	H	62.2	Low	54	Low	119 Å²	119	114.7 Å²	114.7	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-65.1	-46.7	175.7	-170	84.2	0	0	0	111.5	F206 L207 S213 Y214	F206-H210 WeakPolarHBondContact O-CB 3.11Å; F206-H210 PolarHBondContact O-N 3.38Å; L207-H210 PolarHBondContact O-N 3.04Å; H210-S213 PolarHBondContact O-N 2.82Å; H210-Y214 WeakPolarHBondContact O-CB 3.48Å; H210-Y214 PolarHBondContact O-N 3Å
211	I	61.8	Low	54	Low	75 Å²	75	114 Å²	114	39%	0.385	55%	0.548	S	S	.	.	H	α-helix	trans	-60.4	-50.4	175.9	-70.3	169.1	0	0	0	110.5	L207 S208 S213 Y214 F215	L207-I211 HydrophobicContact CD1-CD1 4.1Å; L207-I211 HydrophobicContact CD1-CG1 4.44Å; L207-I211 HydrophobicContact CG-CD1 3.95Å; L207-I211 WeakPolarHBondContact O-CB 3.36Å; L207-I211 VanDerWaalsContact O-CG1 3.29Å; L207-I211 WeakPolarHBondContact O-CG1 3.42Å; L207-I211 PolarHBondContact O-N 2.89Å; S208-I211 PolarHBondContact O-N 3.49Å; I211-S213 VanDerWaalsContact C-N 3.31Å; I211-S213 PolarHBondContact O-N 3.05Å; I211-Y214 WeakPolarHBondContact O-CB 3.27Å; I211-Y214 PolarHBondContact O-N 3.35Å; I211-Y214 VanDerWaalsContact O-N 3.15Å; I211-F215 HydrophobicContact CG2-CD2 3.87Å; I211-F215 HydrophobicContact CG2-CE2 3.93Å; I211-F215 VanDerWaalsContact O-CD2 3.31Å; I211-F215 WeakPolarHBondContact O-CD2 3.47Å; I211-F215 PolarHBondContact O-N 2.7Å
212	N	64.6	Low	53.9	Low	94 Å²	94	114.3 Å²	114.3	50%	0.503	54%	0.541	S	S	.	.	H	α-helix	trans	-64.4	-33.6	-179.9	-70.8	-22.1	0	0	0	112.8	S208 K216	S208-N212 VanDerWaalsContact O-CB 3.27Å; S208-N212 WeakPolarHBondContact O-CB 3.26Å; S208-N212 PolarHBondContact O-N 3.26Å; S208-N212 PolarHBondContact O-ND2 3.08Å; N212-K216 WeakPolarHBondContact O-CB 3.3Å; N212-K216 WeakPolarHBondContact O-CG 3.28Å; N212-K216 PolarHBondContact O-N 3.5Å
213	S	62.4	Low	53.6	Low	64 Å²	64	114.3 Å²	114.3	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-67.8	-40.3	173.3	-174.8	0	0	0	0	112	N209 H210 I211 R217	N209-S213 WeakPolarHBondContact O-CB 3.48Å; N209-S213 PolarHBondContact O-N 3.44Å; H210-S213 PolarHBondContact O-N 2.82Å; I211-S213 VanDerWaalsContact C-N 3.31Å; I211-S213 PolarHBondContact O-N 3.05Å; S213-R217 PolarHBondContact O-N 3.01Å
214	Y	63.2	Low	53.3	Low	144 Å²	144	115.9 Å²	115.9	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-63.6	-47.1	177.6	-171.4	-94.8	0	0	0	112	H210 I211 R217 K218	H210-Y214 WeakPolarHBondContact O-CB 3.48Å; H210-Y214 PolarHBondContact O-N 3Å; I211-Y214 WeakPolarHBondContact O-CB 3.27Å; I211-Y214 PolarHBondContact O-N 3.35Å; I211-Y214 VanDerWaalsContact O-N 3.15Å; Y214-R217 PolarHBondContact O-N 2.69Å; Y214-K218 PolarHBondContact O-N 2.69Å
215	F	57.2	Low	53.1	Low	121 Å²	121	116 Å²	116	53%	0.531	54%	0.54	S	S	.	.	H	α-helix	trans	-70.4	-38.7	178.4	-74.5	-73.4	0	0	0	113	I211 R217 K218 E219	I211-F215 HydrophobicContact CG2-CD2 3.87Å; I211-F215 HydrophobicContact CG2-CE2 3.93Å; I211-F215 VanDerWaalsContact O-CD2 3.31Å; I211-F215 WeakPolarHBondContact O-CD2 3.47Å; I211-F215 PolarHBondContact O-N 2.7Å; F215-R217 VanDerWaalsContact C-N 3.31Å; F215-R217 PolarHBondContact O-N 3.44Å; F215-K218 WeakPolarHBondContact O-CB 3.16Å; F215-K218 PolarHBondContact O-N 3.01Å; F215-E219 PolarHBondContact O-N 3.46Å; F215-E219 VanDerWaalsContact O-N 3.11Å
216	K	55.8	Low	52.9	Low	144 Å²	144	114.9 Å²	114.9	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-63.6	-30.3	172.9	-80.5	-171.6	172	-174	0	114.1	N212 K218 K220	N212-K216 WeakPolarHBondContact O-CB 3.3Å; N212-K216 WeakPolarHBondContact O-CG 3.28Å; N212-K216 PolarHBondContact O-N 3.5Å; K216-K218 VanDerWaalsContact C-N 3.32Å; K216-K220 PolarHBondContact O-N 3.22Å; K216-K220 VanDerWaalsContact O-N 3.15Å
217	R	49.1	Very low	52	Low	184 Å²	184	112.9 Å²	112.9	69%	0.694	54%	0.537	S	S	*	.	H	α-helix	trans	-67.4	-34.8	170.6	-81.7	-173.6	-179.5	-173.6	0.1	112.1	S213 Y214 F215 K220 M221	S213-R217 PolarHBondContact O-N 3.01Å; Y214-R217 PolarHBondContact O-N 2.69Å; F215-R217 VanDerWaalsContact C-N 3.31Å; F215-R217 PolarHBondContact O-N 3.44Å; R217-K220 PolarHBondContact O-N 3.43Å; R217-M221 PolarHBondContact O-N 3.35Å
218	K	47	Very low	51.6	Low	137 Å²	137	115.3 Å²	115.3	60%	0.596	55%	0.546	S	S	*	.	H	α-helix	trans	-68.5	-42.8	179	-132.7	-179.9	-177.6	-173	0	111.6	Y214 F215 K216 M221 S222	Y214-K218 PolarHBondContact O-N 2.69Å; F215-K218 WeakPolarHBondContact O-CB 3.16Å; F215-K218 PolarHBondContact O-N 3.01Å; K216-K218 VanDerWaalsContact C-N 3.32Å; K218-M221 PolarHBondContact O-N 2.85Å; K218-S222 PolarHBondContact O-N 3.16Å; K218-S222 PolarHBondContact O-OG 2.93Å
219	E	47.8	Very low	50.7	Low	121 Å²	121	120.5 Å²	120.5	57%	0.565	57%	0.565	S	S	*	*	H	α-helix	trans	-62.8	-43.3	173.2	-72	177.8	140.7	0	0	112.4	F215 S222 Q223	F215-E219 PolarHBondContact O-N 3.46Å; F215-E219 VanDerWaalsContact O-N 3.11Å; E219-S222 WeakPolarHBondContact CA-OG 3.37Å; E219-S222 PolarHBondContact O-N 3.32Å; E219-S222 PolarHBondContact O-OG 3.35Å; E219-Q223 PolarHBondContact O-N 2.86Å
220	K	44.3	Very low	49.7	Very low	133 Å²	133	125.1 Å²	125.1	58%	0.578	58%	0.582	S	S	*	*	H	α-helix	trans	-62.2	-43.9	175.6	-85.2	-163.2	163.7	-153.1	0	113.2	K216 R217 S222 Q223 E224	K216-K220 PolarHBondContact O-N 3.22Å; K216-K220 VanDerWaalsContact O-N 3.15Å; R217-K220 PolarHBondContact O-N 3.43Å; K220-S222 VanDerWaalsContact C-N 3.25Å; K220-S222 PolarHBondContact O-N 2.75Å; K220-Q223 PolarHBondContact O-N 3.39Å; K220-E224 WeakPolarHBondContact O-CB 3.27Å; K220-E224 WeakPolarHBondContact O-CG 3.21Å; K220-E224 PolarHBondContact O-N 3.01Å
221	M	42.8	Very low	48.4	Very low	133 Å²	133	126.9 Å²	126.9	66%	0.655	59%	0.591	S	S	*	*	H	α-helix	trans	-66.7	-22.9	177.1	-86.7	-171.5	151.4	0	0	114	R217 K218 K225	R217-M221 PolarHBondContact O-N 3.35Å; K218-M221 PolarHBondContact O-N 2.85Å; M221-K225 WeakPolarHBondContact O-CG 3.39Å
222	S	45.9	Very low	47.2	Very low	62 Å²	62	130.9 Å²	130.9	43%	0.434	61%	0.613	S	S	.	*	H	α-helix	trans	-77.7	-42.1	169.1	34.4	0	0	0	0	112.2	K218 E219 K220 K225 E226	K218-S222 PolarHBondContact O-N 3.16Å; K218-S222 PolarHBondContact O-OG 2.93Å; E219-S222 WeakPolarHBondContact CA-OG 3.37Å; E219-S222 PolarHBondContact O-N 3.32Å; E219-S222 PolarHBondContact O-OG 3.35Å; K220-S222 VanDerWaalsContact C-N 3.25Å; K220-S222 PolarHBondContact O-N 2.75Å; S222-K225 PolarHBondContact O-N 3.1Å; S222-E226 PolarHBondContact O-N 3.41Å; S222-E226 VanDerWaalsContact O-N 3.1Å
223	Q	44.1	Very low	45.7	Very low	120 Å²	120	135.7 Å²	135.7	56%	0.561	63%	0.629	S	S	*	*	H	α-helix	trans	-69.3	-31.1	177.5	-72.4	-179.2	-25	0	0	113.4	E219 K220 N227	E219-Q223 PolarHBondContact O-N 2.86Å; K220-Q223 PolarHBondContact O-N 3.39Å; Q223-N227 PolarHBondContact O-N 3.05Å; Q223-N227 PolarHBondContact O-ND2 3.4Å
224	E	43.5	Very low	44.2	Very low	108 Å²	108	137 Å²	137	51%	0.505	64%	0.638	S	S	.	*	H	α-helix	trans	-67.6	-39.6	173.2	-76.6	164.5	175.5	0	0	110.8	K220 N227 E228	K220-E224 WeakPolarHBondContact O-CB 3.27Å; K220-E224 WeakPolarHBondContact O-CG 3.21Å; K220-E224 PolarHBondContact O-N 3.01Å; E224-N227 PolarHBondContact O-N 3.15Å; E224-E228 PolarHBondContact O-N 3.04Å
225	K	46.4	Very low	42.8	Very low	156 Å²	156	138.9 Å²	138.9	68%	0.678	65%	0.649	S	S	*	*	H	α-helix	trans	-70.6	-31.5	176.6	-76.2	-172.5	173.1	-165.8	0	114.9	M221 S222	M221-K225 WeakPolarHBondContact O-CG 3.39Å; S222-K225 PolarHBondContact O-N 3.1Å
226	E	44.4	Very low	41.5	Very low	138 Å²	138	141.6 Å²	141.6	65%	0.645	67%	0.668	S	S	*	*	H	α-helix	trans	-73.4	-30.9	173	-74.2	-179	145.5	0	0	112.2	S222	S222-E226 PolarHBondContact O-N 3.41Å; S222-E226 VanDerWaalsContact O-N 3.1Å
227	N	40.8	Very low	40.1	Very low	108 Å²	108	143.8 Å²	143.8	58%	0.578	68%	0.681	S	S	*	*	H	α-helix	trans	-78.8	-35.5	177.8	-77.7	-58.5	0	0	0	113.5	Q223 E224 H229 F230 Q231	Q223-N227 PolarHBondContact O-N 3.05Å; Q223-N227 PolarHBondContact O-ND2 3.4Å; E224-N227 PolarHBondContact O-N 3.15Å; N227-H229 VanDerWaalsContact C-N 3.27Å; N227-H229 PolarHBondContact O-N 3.35Å; N227-F230 PolarHBondContact O-N 3.35Å; N227-Q231 PolarHBondContact O-N 3.29Å
228	E	43.5	Very low	39	Very low	145 Å²	145	142.9 Å²	142.9	68%	0.678	69%	0.69	S	S	*	*	H	α-helix	trans	-62.2	-35.4	174	-76	-178.9	159.7	0	0	111.7	E224 F230	E224-E228 PolarHBondContact O-N 3.04Å; E228-F230 PolarHBondContact O-N 3.05Å
229	H	37.9	Very low	38.1	Very low	153 Å²	153	145.6 Å²	145.6	71%	0.708	70%	0.701	S	S	*	*	H	α-helix	trans	-74.1	-11.6	179.5	-146.6	-37.2	0	0	0	114.2	N227	N227-H229 VanDerWaalsContact C-N 3.27Å; N227-H229 PolarHBondContact O-N 3.35Å
230	F	38.2	Very low	37.1	Very low	168 Å²	168	148.2 Å²	148.2	74%	0.737	71%	0.714	S	S	*	*	H	α-helix	trans	-100.1	-17	178.3	-100.8	-87.3	0	0	0	114.3	N227 E228	N227-F230 PolarHBondContact O-N 3.35Å; E228-F230 PolarHBondContact O-N 3.05Å
231	Q	36.6	Very low	36.3	Very low	157 Å²	157	147.4 Å²	147.4	73%	0.734	72%	0.72	S	S	*	*	H	α-helix	trans	-83.1	-26.7	179.7	-78.2	-167.2	-24.1	0	0	114.1	N227 K233 S234	N227-Q231 PolarHBondContact O-N 3.29Å; Q231-K233 PolarHBondContact O-N 3.17Å; Q231-S234 PolarHBondContact O-OG 2.69Å
232	D	34.8	Very low	35.6	Very low	159 Å²	159	149.2 Å²	149.2	85%	0.85	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	4.8	-178.7	-115.1	7.5	0	0	0	114.7
233	K	34.5	Very low	34.8	Very low	195 Å²	195	155.3 Å²	155.3	85%	0.848	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	8.8	179.7	-92.8	-167.9	173.4	-171.8	0	115.7	Q231	Q231-K233 PolarHBondContact O-N 3.17Å
234	S	31.4	Very low	34	Very low	91 Å²	91	152.9 Å²	152.9	64%	0.636	76%	0.755	S	S	*	*	S	Bend	trans	-118.5	14.5	-176.9	55.3	0	0	0	0	114.9	Q231	Q231-S234 PolarHBondContact O-OG 2.69Å
235	K	32.4	Very low	33.2	Very low	184 Å²	184	157.6 Å²	157.6	80%	0.8	77%	0.774	S	S	*	*	S	Bend	trans	-144.1	70.8	176.3	-70.8	-171.9	178.2	178.7	0	112.7
236	L	30	Very low	32.2	Very low	177 Å²	177	158 Å²	158	93%	0.927	78%	0.782	S	S	*	*			trans	-175.7	54	152.4	-103.8	159.1	0	0	0	112.1
237	E	26.5	Very low	31.4	Very low	191 Å²	191	156.3 Å²	156.3	89%	0.893	79%	0.786	S	S	*	*			trans	-132.1	103.5	159	-76.6	-171.2	163.2	0	0	108.3
238	D	27	Very low	30.9	Very low	164 Å²	164	156.8 Å²	156.8	88%	0.877	80%	0.798	S	S	*	*			trans	179.2	87.4	150.4	-100.5	-19.4	0	0	0	108.8
239	K	27.9	Very low	30.7	Very low	194 Å²	194	155.9 Å²	155.9	84%	0.843	81%	0.805	S	S	*	*			trans	-178.4	101.9	151.2	-104.6	169.2	-174.8	-170.7	0	112.5
240	E	27.3	Very low	30.3	Very low	177 Å²	177	155.9 Å²	155.9	83%	0.827	81%	0.81	S	S	*	*				48.9	129.1	127.4	-80.1	-178.4	163	0	0	122.9
241	V	27.2	Very low	30.8	Very low	116 Å²	116	153.8 Å²	153.8	70%	0.703	81%	0.813	S	S	*	*			trans	102.6	112.6	130.2	166.8	0	0	0	0	120.9
242	E	27.1	Very low	30.2	Very low	170 Å²	170	150 Å²	150	79%	0.794	82%	0.816	S	S	*	*			trans	64.4	135.4	141.6	-67.3	-180	162.8	0	0	125.6
243	E	28.5	Very low	29.9	Very low	191 Å²	191	150.3 Å²	150.3	89%	0.893	82%	0.816	S	S	*	*			trans	25.3	140.1	146.1	-50.4	-161.2	150.3	0	0	122.3
244	G	27.5	Very low	29.6	Very low	68 Å²	68	149.4 Å²	149.4	70%	0.701	82%	0.819	S	S	*	*			cis	163.1	169.9	-2.9	0	0	0	0	0	113.8
245	K	27.9	Very low	29.3	Very low	207 Å²	207	148.9 Å²	148.9	90%	0.9	82%	0.821	S	S	*	*			trans	68.3	143.9	172.4	-69	171.6	-176.4	166.7	0	116.4
246	L	25.6	Very low	28.9	Very low	164 Å²	164	151.6 Å²	151.6	86%	0.859	83%	0.828	S	S	*	*			cis	-136.2	164.6	16.8	-110.2	129.1	0	0	0	113.1
247	S	26.2	Very low	28.8	Very low	104 Å²	104	152 Å²	152	73%	0.727	82%	0.822	S	S	*	*			trans	-116.6	157	-172.2	52.5	0	0	0	0	113.9
248	S	31.4	Very low	29.1	Very low	118 Å²	118	149.2 Å²	149.2	83%	0.825	82%	0.82	S	S	*	*				176.4	157	123.1	40.7	0	0	0	0	113.2
249	P	38.4	Very low	28.9	Very low	126 Å²	126	144.3 Å²	144.3	82%	0.818	81%	0.809	S	S	*	*			trans	-126	-179.5	-172	38.2	-19.3	0	0	0	115.9
250	D	30.1	Very low	28.7	Very low	152 Å²	152	140.4 Å²	140.4	81%	0.813	81%	0.805	S	S	*	*			trans	-45.5	177.2	160.3	-102.6	-27.8	0	0	0	115.7
251	P	48.7	Very low	28.6	Very low	125 Å²	125	139.9 Å²	139.9	81%	0.812	80%	0.803	S	S	*	*			cis	-138.8	-172.4	1.5	31.8	-8.7	0	0	0	115.6
252	G	24.9	Very low	28.5	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	80%	0.8	S	S	*	*			trans	175.4	137.8	158.5	0	0	0	0	0	117.7
253	I	28	Very low	28.5	Very low	166 Å²	166	137.4 Å²	137.4	85%	0.851	80%	0.798	S	S	*	*			trans	-117.5	138.3	178.1	-66.8	167.7	0	0	0	110.2
254	L	26.9	Very low	28.4	Very low	176 Å²	176	136.1 Å²	136.1	92%	0.921	80%	0.797	S	S	*	*			trans	-175.1	163.5	137.7	-102.2	163.1	0	0	0	112.9
255	A	25.4	Very low	28.2	Very low	81 Å²	81	138.1 Å²	138.1	67%	0.669	80%	0.796	S	S	*	*			trans	-101.3	165.4	-167.1	0	0	0	0	0	114.3
256	Y	24	Very low	28.2	Very low	241 Å²	241	134.3 Å²	134.3	95%	0.945	79%	0.789	S	S	*	*			trans	-174	157.8	135.5	-108.9	-77.4	0	0	0	112.3
257	K	27.4	Very low	28.2	Very low	186 Å²	186	133.8 Å²	133.8	81%	0.809	79%	0.788	S	S	*	*			trans	-120.5	149.4	169.4	-105.8	-170.9	177.3	-174.3	0	108.8
258	P	33.5	Very low	28.2	Very low	132 Å²	132	137.7 Å²	137.7	86%	0.857	79%	0.791	S	S	*	*				-127.9	-162.2	87.1	6.4	17.6	0	0	0	112.3
259	G	22.4	Very low	28.2	Very low	61 Å²	61	137.8 Å²	137.8	63%	0.629	79%	0.79	S	S	*	*			cis	148.9	145.5	-12.7	0	0	0	0	0	113.5
260	S	25.1	Very low	27.6	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	79%	0.789	S	S	*	*			trans	56.4	163.5	176.8	15.7	0	0	0	0	116.7
261	E	25.4	Very low	27.5	Very low	167 Å²	167	134.5 Å²	134.5	78%	0.78	79%	0.787	S	S	*	*			cis	-156.9	131.4	-6.3	-111.8	151.6	-146.9	0	0	105.5
262	S	25.1	Very low	26.6	Very low	92 Å²	92	134 Å²	134	64%	0.643	78%	0.784	S	S	*	*				60.9	140.4	93.7	80.9	0	0	0	0	119.2
263	L	26.1	Very low	26.6	Very low	142 Å²	142	135.8 Å²	135.8	74%	0.743	78%	0.784	S	S	*	*			trans	74.1	128.2	170.9	-66.3	142.3	0	0	0	115.1
264	D	26.5	Very low	26.4	Very low	163 Å²	163	132.5 Å²	132.5	87%	0.872	78%	0.782	S	S	*	*				-133.6	164	64.5	-88.7	-40.5	0	0	0	116.9
265	T	23.6	Very low	26.4	Very low	110 Å²	110	131.8 Å²	131.8	68%	0.675	78%	0.777	S	S	*	*			trans	-118.8	-169.7	-177.8	46.7	0	0	0	0	112.2
266	V	27.5	Very low	26.6	Very low	127 Å²	127	133.2 Å²	133.2	77%	0.77	78%	0.78	S	S	*	*			trans	92.2	122.9	175.3	-173.1	0	0	0	0	112
267	D	25.9	Very low	26.7	Very low	153 Å²	153	129.4 Å²	129.4	82%	0.818	78%	0.776	S	S	*	*			cis	-147.2	170.4	14.1	-130.9	-23.5	0	0	0	114.8
268	K	25.7	Very low	26.6	Very low	186 Å²	186	126.8 Å²	126.8	81%	0.809	78%	0.775	S	S	*	*			trans	-143.7	143.4	172.8	-158.3	-175.6	-166.8	-179.7	0	109.7
269	P	32.8	Very low	26.3	Very low	121 Å²	121	128.3 Å²	128.3	79%	0.786	78%	0.775	S	S	*	*				-146.7	167.2	127.8	34.2	-17.7	0	0	0	116.7
270	A	25.1	Very low	26.7	Very low	98 Å²	98	130.9 Å²	130.9	81%	0.81	78%	0.781	S	S	*	*			trans	66.1	107.3	154	0	0	0	0	0	120.5
271	S	26.8	Very low	26.7	Very low	111 Å²	111	133.1 Å²	133.1	78%	0.776	78%	0.782	S	S	*	*			trans	-92.1	164.5	144.6	55.8	0	0	0	0	109.8
272	P	31.5	Very low	26.7	Very low	115 Å²	115	130 Å²	130	75%	0.747	78%	0.779	S	S	*	*				-141.5	144.6	109.7	37.3	-24.9	0	0	0	115.8
273	S	24.1	Very low	26.9	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	79%	0.787	S	S	*	*			trans	30.1	112.1	148	61.9	0	0	0	0	121.1
274	A	24.6	Very low	27.1	Very low	97 Å²	97	133.9 Å²	133.9	80%	0.802	79%	0.79	S	S	*	*			trans	-140.2	130.3	139.9	0	0	0	0	0	109.5
275	I	26.7	Very low	27.2	Very low	161 Å²	161	135.1 Å²	135.1	83%	0.826	79%	0.79	S	S	*	*			trans	-84.3	140.5	170.3	-63	166.5	0	0	0	107.8
276	P	29.5	Very low	27.6	Very low	112 Å²	112	133.6 Å²	133.6	73%	0.727	78%	0.784	S	S	*	*			trans	-127.5	153.9	146.1	26.7	-10.7	0	0	0	113.2
277	D	24.8	Very low	28.2	Very low	160 Å²	160	134 Å²	134	86%	0.856	78%	0.78	S	S	*	*			trans	-68.6	160	-170.4	-69.8	-70.9	0	0	0	116.1
278	V	25.5	Very low	28.6	Very low	131 Å²	131	127.9 Å²	127.9	79%	0.794	75%	0.751	S	S	*	*			trans	-82.9	124.7	-178.5	176.3	0	0	0	0	111.6
279	L	27	Very low	29	Very low	165 Å²	165	124.8 Å²	124.8	86%	0.864	74%	0.743	S	S	*	*			trans	-132.5	134.5	150.7	-81.6	176.6	0	0	0	110.4
280	P	30.7	Very low	29	Very low	115 Å²	115	125.5 Å²	125.5	75%	0.747	74%	0.74	S	S	*	*			trans	-86.3	143.4	-163.5	32.6	-36.1	0	0	0	114.8	S282	P280-S282 PolarHBondContact O-N 2.62Å
281	I	25	Very low	29.6	Very low	157 Å²	157	126.5 Å²	126.5	81%	0.805	73%	0.731	S	S	*	*			trans	-67.3	123.8	173.7	-64.5	158.4	0	0	0	110.3	T283	I281-T283 HydrophobicContact CG2-CG2 4.38Å
282	S	26.3	Very low	29.7	Very low	102 Å²	102	125.1 Å²	125.1	71%	0.713	72%	0.722	S	S	*	*			trans	-92.7	100.7	170.4	-172.8	0	0	0	0	111	P280 K284	P280-S282 PolarHBondContact O-N 2.62Å; S282-K284 PolarHBondContact O-N 3.02Å; S282-K284 VanDerWaalsContact O-N 3.16Å
283	T	29.2	Very low	29.6	Very low	130 Å²	130	129.3 Å²	129.3	80%	0.798	72%	0.722	S	S	*	*			trans	-72.1	100.3	171.7	38.7	0	0	0	0	111.2	I281	I281-T283 HydrophobicContact CG2-CG2 4.38Å
284	K	30.6	Very low	29.7	Very low	186 Å²	186	130 Å²	130	81%	0.809	72%	0.724	S	S	*	*			trans	-117.2	93.5	163.4	-77.3	-171.1	176.2	-178.3	0	110.7	S282 S286	S282-K284 PolarHBondContact O-N 3.02Å; S282-K284 VanDerWaalsContact O-N 3.16Å; K284-S286 PolarHBondContact O-N 3.03Å
285	Q	29.2	Very low	30	Very low	189 Å²	189	131.7 Å²	131.7	88%	0.883	73%	0.725	S	S	*	*			trans	-64	130.5	162.2	-81	179.8	-21.7	0	0	109.3	I287	Q285-I287 PolarHBondContact O-N 3.16Å
286	S	31.1	Very low	30.1	Very low	77 Å²	77	132.9 Å²	132.9	54%	0.538	73%	0.727	S	S	.	*			trans	-68.7	120.8	179	-178.2	0	0	0	0	111.1	K284 A288	K284-S286 PolarHBondContact O-N 3.03Å; S286-A288 PolarHBondContact O-N 3.1Å; S286-A288 VanDerWaalsContact O-N 3.13Å
287	I	40	Very low	30.1	Very low	135 Å²	135	130.4 Å²	130.4	69%	0.692	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-68.4	-10.4	-178	-62.5	171.3	0	0	0	111.8	Q285 N289 L290	Q285-I287 PolarHBondContact O-N 3.16Å; I287-N289 PolarHBondContact O-N 2.91Å; I287-L290 HydrophobicContact CG2-CD1 4.43Å; I287-L290 PolarHBondContact O-N 3.47Å
288	A	35.2	Very low	30.5	Very low	25 Å²	25	129.8 Å²	129.8	21%	0.207	72%	0.724	C	S	.	*	G	3₁₀ helix	trans	-57.1	-18	175.4	0	0	0	0	0	114.8	S286	S286-A288 PolarHBondContact O-N 3.1Å; S286-A288 VanDerWaalsContact O-N 3.13Å
289	N	33	Very low	30.9	Very low	121 Å²	121	132.8 Å²	132.8	65%	0.647	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-82.7	-7.4	177.3	-77.1	-9.8	0	0	0	114.9	I287 S292	I287-N289 PolarHBondContact O-N 2.91Å; N289-S292 PolarHBondContact O-OG 3.01Å; N289-S292 VanDerWaalsContact O-OG 3.05Å
290	L	33.5	Very low	31.2	Very low	137 Å²	137	129.4 Å²	129.4	72%	0.717	73%	0.725	S	S	*	*	S	Bend	trans	-79.7	-23.9	174.9	-106.3	141.6	0	0	0	112.8	I287 S292	I287-L290 HydrophobicContact CG2-CD1 4.43Å; I287-L290 PolarHBondContact O-N 3.47Å; L290-S292 VanDerWaalsContact C-N 3.33Å
291	L	37	Very low	31.3	Very low	118 Å²	118	132 Å²	132	62%	0.618	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	3.1	179	-66.1	173.9	0	0	0	113.9	F388	L291-F388 HydrophobicContact CD2-CE2 4.42Å
292	S	29.6	Very low	31.7	Very low	83 Å²	83	130.7 Å²	130.7	58%	0.58	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	10.7	-179.3	56.5	0	0	0	0	114.1	N289 L290	N289-S292 PolarHBondContact O-OG 3.01Å; N289-S292 VanDerWaalsContact O-OG 3.05Å; L290-S292 VanDerWaalsContact C-N 3.33Å
293	R	28.2	Very low	32	Very low	202 Å²	202	129.5 Å²	129.5	76%	0.762	74%	0.735	S	S	*	*	S	Bend	trans	-109.1	126.6	172.6	-68.3	-173	176.2	-169.4	-2.1	109.9	T295	R293-T295 PolarHBondContact O-N 3.32Å
294	P	26.7	Very low	32.4	Very low	127 Å²	127	126.1 Å²	126.1	83%	0.825	73%	0.725	S	S	*	*			trans	-69.9	116.2	167.5	29.3	-31.1	0	0	0	108.2
295	T	30.9	Very low	32.7	Very low	133 Å²	133	128.2 Å²	128.2	82%	0.816	73%	0.73	S	S	*	*			trans	-98.1	107.4	173.6	-46.2	0	0	0	0	108.5	R293	R293-T295 PolarHBondContact O-N 3.32Å
296	E	28.7	Very low	33.3	Very low	185 Å²	185	126.2 Å²	126.2	86%	0.864	72%	0.724	S	S	*	*			trans	-70.4	148.3	170.1	-64.2	-175.2	137.8	0	0	111
297	G	30.4	Very low	33.4	Very low	61 Å²	61	126.7 Å²	126.7	63%	0.629	74%	0.741	S	S	*	*			trans	90.8	84.5	158	0	0	0	0	0	117.8	Q299	G297-Q299 PolarHBondContact O-N 3.14Å; G297-Q299 VanDerWaalsContact O-N 3.08Å
298	V	33	Very low	33.1	Very low	147 Å²	147	123.5 Å²	123.5	89%	0.891	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	2.2	163.4	176	0	0	0	0	112.6
299	Q	33.4	Very low	33.3	Very low	193 Å²	193	130.2 Å²	130.2	90%	0.902	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-7.9	-171	-126.8	163.8	-9.8	0	0	115.1	G297	G297-Q299 PolarHBondContact O-N 3.14Å; G297-Q299 VanDerWaalsContact O-N 3.08Å
300	A	34.1	Very low	33.3	Very low	95 Å²	95	130.2 Å²	130.2	79%	0.785	78%	0.777	S	S	*	*	S	Bend	trans	-100.1	-8.2	-168.9	0	0	0	0	0	116.5
301	L	32.9	Very low	33.1	Very low	168 Å²	168	129.1 Å²	129.1	88%	0.88	78%	0.778	S	S	*	*	S	Bend	trans	-114.9	0.1	-171.7	-135.3	101.8	0	0	0	116	G303	L301-G303 PolarHBondContact O-N 3.25Å
302	V	32.9	Very low	32.9	Very low	131 Å²	131	133.5 Å²	133.5	79%	0.794	79%	0.792	S	S	*	*			trans	-100.6	59.3	179.9	-166.8	0	0	0	0	110.5
303	G	33.2	Very low	32.9	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	81%	0.806	S	S	*	*	S	Bend	trans	-122.9	-19.9	-177	0	0	0	0	0	116.7	L301	L301-G303 PolarHBondContact O-N 3.25Å
304	G	37.5	Very low	33	Very low	58 Å²	58	137 Å²	137	60%	0.598	81%	0.809	S	S	*	*	S	Bend	trans	-103.7	-38.8	-161.7	0	0	0	0	0	118.5
305	Y	37	Very low	33.1	Very low	230 Å²	230	140.8 Å²	140.8	90%	0.902	81%	0.809	S	S	*	*	S	Bend	trans	-137.9	23.8	-151.4	-75.5	-76.5	0	0	0	117.5
306	I	40.6	Very low	32.9	Very low	147 Å²	147	141.5 Å²	141.5	75%	0.754	81%	0.808	S	S	*	*			trans	-124.8	59.9	172.5	-46.1	-177.2	0	0	0	110.8
307	G	33.6	Very low	32.9	Very low	88 Å²	88	137.1 Å²	137.1	91%	0.907	80%	0.797	S	S	*	*	S	Bend	trans	-93.7	1.4	179.5	0	0	0	0	0	116.3
308	G	34.6	Very low	32.8	Very low	67 Å²	67	144.2 Å²	144.2	69%	0.691	81%	0.811	S	S	*	*	S	Bend	trans	-131.4	-10.1	-160.8	0	0	0	0	0	119.7
309	L	38.5	Very low	32.7	Very low	167 Å²	167	142.5 Å²	142.5	87%	0.874	81%	0.805	S	S	*	*			trans	-134.2	44.6	-166.5	-72	173.8	0	0	0	115.1
310	V	33.8	Very low	32.4	Very low	120 Å²	120	142.8 Å²	142.8	73%	0.727	81%	0.806	S	S	*	*	S	Bend	trans	-129.9	128.1	163.4	-176.4	0	0	0	0	108.8	K312	V310-K312 PolarHBondContact O-N 2.85Å
311	P	29.3	Very low	32.2	Very low	115 Å²	115	143 Å²	143	75%	0.747	80%	0.802	S	S	*	*			trans	-62	122.6	177.2	-21.8	33	0	0	0	111.3	L313	P311-L313 PolarHBondContact O-N 2.72Å
312	K	32.1	Very low	32	Very low	209 Å²	209	144.2 Å²	144.2	91%	0.909	80%	0.803	S	S	*	*			trans	-72.4	93.2	172.9	-72.1	-175.9	177.9	179.9	0	110	V310 K314	V310-K312 PolarHBondContact O-N 2.85Å; K312-K314 PolarHBondContact O-N 2.84Å
313	L	29.6	Very low	31.8	Very low	169 Å²	169	146.3 Å²	146.3	89%	0.885	81%	0.805	S	S	*	*			trans	-72.3	112.4	162.2	-73.3	169.6	0	0	0	108.4	P311	P311-L313 PolarHBondContact O-N 2.72Å
314	K	30.1	Very low	31.6	Very low	189 Å²	189	150.6 Å²	150.6	82%	0.822	80%	0.804	S	S	*	*			trans	-64.8	146.9	171.6	-69.7	-177.9	173.7	-174.1	0	109.9	K312	K312-K314 PolarHBondContact O-N 2.84Å
315	Y	28.2	Very low	31.1	Very low	207 Å²	207	156.7 Å²	156.7	81%	0.812	82%	0.817	S	S	*	*			trans	-130.5	108.1	161.8	-157.5	-90.3	0	0	0	108.6
316	D	28.2	Very low	30.8	Very low	149 Å²	149	151.7 Å²	151.7	80%	0.797	80%	0.802	S	S	*	*			trans	-91.1	128.4	166.1	-79.5	-51.5	0	0	0	108.5
317	S	28.3	Very low	31	Very low	92 Å²	92	150.2 Å²	150.2	64%	0.643	80%	0.802	S	S	*	*			trans	-153.6	118.1	155.8	59.6	0	0	0	0	109.8
318	K	27.5	Very low	31	Very low	211 Å²	211	150 Å²	150	92%	0.917	79%	0.791	S	S	*	*			trans	-63.7	148.4	-178.3	-65.5	174	174.9	178	0	112
319	S	31	Very low	31.6	Very low	110 Å²	110	154 Å²	154	77%	0.769	79%	0.79	S	S	*	*			trans	-75.7	134.6	161.3	52.4	0	0	0	0	111.3
320	Q	27.1	Very low	31.7	Very low	199 Å²	199	152.1 Å²	152.1	93%	0.93	79%	0.785	S	S	*	*			trans	-154.8	153.8	142.6	-121.4	170.6	-13.7	0	0	110.4
321	S	30.4	Very low	32	Very low	100 Å²	100	153.4 Å²	153.4	70%	0.699	79%	0.788	S	S	*	*			trans	-99	154.6	-167.7	46.4	0	0	0	0	112.8
322	E	28.8	Very low	32.6	Very low	193 Å²	193	152.9 Å²	152.9	90%	0.902	78%	0.776	S	S	*	*				-172.9	166.3	120.9	-102.8	163.7	-158.3	0	0	111.4
323	E	29	Very low	33.2	Very low	176 Å²	176	146.1 Å²	146.1	82%	0.822	76%	0.758	S	S	*	*			trans	-99.9	171.1	-165.6	-61.3	-172.5	130.7	0	0	114.8
324	Q	27.5	Very low	34	Very low	167 Å²	167	142.3 Å²	142.3	78%	0.78	74%	0.742	S	S	*	*			trans	99.6	144.1	148.8	-79.1	-177.5	17.9	0	0	122.2
325	E	27.9	Very low	35	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	72%	0.721	S	S	*	*			trans	74.7	101.3	169.3	-59.3	-167.9	161.2	0	0	121.3
326	E	31.6	Very low	36.1	Very low	125 Å²	125	133.8 Å²	133.8	58%	0.584	71%	0.711	S	S	*	*			trans	-78.4	162.9	146.8	-105.4	-168.8	-155.6	0	0	109.7	K329	E326-K329 WeakPolarHBondContact OE1-CE 3.29Å; E326-K329 IonicContact OE1-NZ 2.85Å; E326-K329 PolarHBondContact OE1-NZ 3.38Å; E326-K329 VanDerWaalsContact OE2-CE 3.28Å; E326-K329 WeakPolarHBondContact OE2-CE 3.37Å; E326-K329 IonicContact OE2-NZ 2.72Å; E326-K329 PolarHBondContact OE2-NZ 3.12Å
327	P	44.8	Very low	37.4	Very low	116 Å²	116	132.2 Å²	132.2	75%	0.753	70%	0.703	S	S	*	*			cis	-144.8	150	36.7	38.4	-18.2	0	0	0	118.5
328	A	32.8	Very low	38.6	Very low	82 Å²	82	135.7 Å²	135.7	68%	0.678	70%	0.702	S	S	*	*			trans	-156.5	61.6	156.6	0	0	0	0	0	111.5	T330	A328-T330 PolarHBondContact O-N 3.07Å
329	K	47.3	Very low	40.2	Very low	152 Å²	152	129.8 Å²	129.8	66%	0.661	68%	0.681	S	S	*	*			trans	-89.1	97.3	179.9	-81	176.3	172.3	134.5	0	112.4	E326	E326-K329 WeakPolarHBondContact OE1-CE 3.29Å; E326-K329 IonicContact OE1-NZ 2.85Å; E326-K329 PolarHBondContact OE1-NZ 3.38Å; E326-K329 VanDerWaalsContact OE2-CE 3.28Å; E326-K329 WeakPolarHBondContact OE2-CE 3.37Å; E326-K329 IonicContact OE2-NZ 2.72Å; E326-K329 PolarHBondContact OE2-NZ 3.12Å
330	T	39.7	Very low	41.7	Very low	128 Å²	128	127.1 Å²	127.1	79%	0.785	67%	0.666	S	S	*	*	S	Bend	trans	-157.9	-26.8	144.3	8.7	0	0	0	0	114.8	A328	A328-T330 PolarHBondContact O-N 3.07Å
331	D	40.1	Very low	43.4	Very low	146 Å²	146	124.5 Å²	124.5	78%	0.781	65%	0.653	S	S	*	*	S	Bend	trans	-94.7	-12.7	-179.3	-75.2	-37	0	0	0	115.4
332	Q	42	Very low	45.2	Very low	105 Å²	105	125.1 Å²	125.1	49%	0.491	65%	0.645	S	S	.	*	H	α-helix	trans	-80.5	-18.4	-177.1	-69.6	-164	14.7	0	0	115.2	S335 R336	Q332-S335 PolarHBondContact O-OG 3.01Å; Q332-R336 WeakPolarHBondContact O-CB 3.39Å; Q332-R336 VanDerWaalsContact O-CG 3.3Å; Q332-R336 WeakPolarHBondContact O-CG 3.44Å; Q332-R336 PolarHBondContact O-N 3.2Å
333	A	45.2	Very low	47.2	Very low	66 Å²	66	123.3 Å²	123.3	55%	0.545	63%	0.634	S	S	.	*	H	α-helix	trans	-67.6	-48.9	-179.9	0	0	0	0	0	111.2	S335 R336 D337	A333-S335 VanDerWaalsContact C-N 3.29Å; A333-S335 PolarHBondContact O-N 3.32Å; A333-R336 PolarHBondContact O-N 3.44Å; A333-D337 PolarHBondContact O-N 3.21Å; A333-D337 VanDerWaalsContact O-N 3.17Å
334	V	47.1	Very low	49.2	Very low	89 Å²	89	121.8 Å²	121.8	54%	0.539	63%	0.625	S	S	.	*	H	α-helix	trans	-66.1	-29.4	-177.7	-175.2	0	0	0	0	112.4	R338	V334-R338 WeakPolarHBondContact O-CG 3.46Å; V334-R338 PolarHBondContact O-N 3.32Å
335	S	49.8	Very low	51.2	Low	54 Å²	54	121.9 Å²	121.9	38%	0.378	62%	0.618	S	S	.	*	H	α-helix	trans	-80.7	-33.8	176.9	62.8	0	0	0	0	113.1	Q332 A333 N339	Q332-S335 PolarHBondContact O-OG 3.01Å; A333-S335 VanDerWaalsContact C-N 3.29Å; A333-S335 PolarHBondContact O-N 3.32Å; S335-N339 WeakPolarHBondContact O-CB 3.41Å; S335-N339 PolarHBondContact O-N 3.29Å; S335-N339 PolarHBondContact O-ND2 3.23Å; S335-N339 VanDerWaalsContact O-ND2 3.14Å
336	R	51.7	Low	53.3	Low	163 Å²	163	117.1 Å²	117.1	62%	0.615	60%	0.598	S	S	*	*	H	α-helix	trans	-67.7	-41.4	175.4	-73.6	177.1	-172.3	-170.8	4.5	112.2	Q332 A333 N339 A340	Q332-R336 WeakPolarHBondContact O-CB 3.39Å; Q332-R336 VanDerWaalsContact O-CG 3.3Å; Q332-R336 WeakPolarHBondContact O-CG 3.44Å; Q332-R336 PolarHBondContact O-N 3.2Å; A333-R336 PolarHBondContact O-N 3.44Å; R336-N339 PolarHBondContact O-N 2.93Å; R336-A340 WeakPolarHBondContact O-CB 3.31Å; R336-A340 PolarHBondContact O-N 2.8Å
337	D	56.3	Low	55.1	Low	116 Å²	116	113.3 Å²	113.3	62%	0.62	59%	0.585	S	S	*	*	H	α-helix	trans	-65.4	-44.2	176.3	-79.2	-24.2	0	0	0	112.3	A333 N339 A340 E341	A333-D337 PolarHBondContact O-N 3.21Å; A333-D337 VanDerWaalsContact O-N 3.17Å; D337-N339 VanDerWaalsContact C-N 3.32Å; D337-N339 PolarHBondContact O-N 2.74Å; D337-A340 PolarHBondContact O-N 3Å; D337-A340 VanDerWaalsContact O-N 3.15Å; D337-E341 WeakPolarHBondContact O-CB 3.4Å; D337-E341 PolarHBondContact O-N 2.97Å
338	R	53.6	Low	56.4	Low	165 Å²	165	111.8 Å²	111.8	62%	0.623	57%	0.57	S	S	*	*	H	α-helix	trans	-58.2	-43.8	172.8	-74	-177.5	-173.1	-173.3	5.5	112	V334 A340 E341 E342	V334-R338 WeakPolarHBondContact O-CG 3.46Å; V334-R338 PolarHBondContact O-N 3.32Å; R338-A340 VanDerWaalsContact C-N 3.33Å; R338-A340 PolarHBondContact O-N 3.25Å; R338-E341 PolarHBondContact O-N 3.08Å; R338-E342 WeakPolarHBondContact O-CB 3.41Å; R338-E342 WeakPolarHBondContact O-CG 3.05Å; R338-E342 PolarHBondContact O-N 2.91Å
339	N	59.3	Low	58.2	Low	87 Å²	87	112.1 Å²	112.1	47%	0.465	56%	0.558	S	S	.	*	H	α-helix	trans	-66.1	-32.7	177.3	-74.8	-27.4	0	0	0	112.8	S335 R336 D337 K343	S335-N339 WeakPolarHBondContact O-CB 3.41Å; S335-N339 PolarHBondContact O-N 3.29Å; S335-N339 PolarHBondContact O-ND2 3.23Å; S335-N339 VanDerWaalsContact O-ND2 3.14Å; R336-N339 PolarHBondContact O-N 2.93Å; D337-N339 VanDerWaalsContact C-N 3.32Å; D337-N339 PolarHBondContact O-N 2.74Å; N339-K343 WeakPolarHBondContact O-CB 3.15Å; N339-K343 VanDerWaalsContact O-CG 3.23Å; N339-K343 WeakPolarHBondContact O-CG 3.38Å; N339-K343 PolarHBondContact O-N 3.01Å
340	A	63.9	Low	59.3	Low	55 Å²	55	113 Å²	113	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-71.9	-42.6	174.7	0	0	0	0	0	111.6	R336 D337 R338 K343 K344	R336-A340 WeakPolarHBondContact O-CB 3.31Å; R336-A340 PolarHBondContact O-N 2.8Å; D337-A340 PolarHBondContact O-N 3Å; D337-A340 VanDerWaalsContact O-N 3.15Å; R338-A340 VanDerWaalsContact C-N 3.33Å; R338-A340 PolarHBondContact O-N 3.25Å; A340-K343 PolarHBondContact O-N 3.46Å; A340-K344 WeakPolarHBondContact O-CB 3.46Å; A340-K344 PolarHBondContact O-N 2.97Å
341	E	63.3	Low	61	Low	144 Å²	144	112.2 Å²	112.2	67%	0.673	54%	0.544	S	S	*	.	H	α-helix	trans	-67.4	-39.3	176.9	-165.6	170.8	-143.4	0	0	111.8	D337 R338 K344 R345	D337-E341 WeakPolarHBondContact O-CB 3.4Å; D337-E341 PolarHBondContact O-N 2.97Å; R338-E341 PolarHBondContact O-N 3.08Å; E341-K344 PolarHBondContact O-N 2.83Å; E341-R345 WeakPolarHBondContact O-CB 3.23Å; E341-R345 PolarHBondContact O-N 2.92Å
342	E	67.6	Low	62.8	Low	113 Å²	113	112.7 Å²	112.7	53%	0.528	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-43.4	170.5	-77	-171.7	173	0	0	112.3	R338 K344 R345 L346	R338-E342 WeakPolarHBondContact O-CB 3.41Å; R338-E342 WeakPolarHBondContact O-CG 3.05Å; R338-E342 PolarHBondContact O-N 2.91Å; E342-K344 VanDerWaalsContact C-N 3.34Å; E342-K344 PolarHBondContact O-N 3.1Å; E342-R345 WeakPolarHBondContact O-CB 3.34Å; E342-R345 PolarHBondContact O-N 3.47Å; E342-L346 WeakPolarHBondContact O-CB 3.1Å; E342-L346 VanDerWaalsContact O-CG 3.26Å; E342-L346 WeakPolarHBondContact O-CG 3.48Å; E342-L346 PolarHBondContact O-N 2.86Å
343	K	70.7	Confident	64.4	Low	155 Å²	155	112.8 Å²	112.8	67%	0.674	54%	0.542	S	S	*	.	H	α-helix	trans	-60.1	-42.2	173.7	-80.4	174.1	-179.5	-179.3	0	112	N339 A340 L346 S347	N339-K343 WeakPolarHBondContact O-CB 3.15Å; N339-K343 VanDerWaalsContact O-CG 3.23Å; N339-K343 WeakPolarHBondContact O-CG 3.38Å; N339-K343 PolarHBondContact O-N 3.01Å; A340-K343 PolarHBondContact O-N 3.46Å; K343-L346 PolarHBondContact O-N 3.07Å; K343-S347 PolarHBondContact O-N 2.84Å
344	K	70.3	Confident	65.9	Low	144 Å²	144	115.2 Å²	115.2	63%	0.626	55%	0.545	S	S	*	.	H	α-helix	trans	-66.5	-36.5	175.7	-169.8	176.2	-177.1	178.7	0	112.2	A340 E341 E342 S347 L348	A340-K344 WeakPolarHBondContact O-CB 3.46Å; A340-K344 PolarHBondContact O-N 2.97Å; E341-K344 PolarHBondContact O-N 2.83Å; E342-K344 VanDerWaalsContact C-N 3.34Å; E342-K344 PolarHBondContact O-N 3.1Å; K344-S347 PolarHBondContact O-OG 3.02Å; K344-L348 HydrophobicContact CG-CD1 4.48Å; K344-L348 WeakPolarHBondContact O-CB 3.45Å; K344-L348 VanDerWaalsContact O-CG 3.3Å; K344-L348 WeakPolarHBondContact O-CG 3.49Å; K344-L348 PolarHBondContact O-N 3.29Å; K344-L348 VanDerWaalsContact O-N 3.09Å
345	R	69.4	Low	67.6	Low	169 Å²	169	113.5 Å²	113.5	64%	0.638	54%	0.54	S	S	*	.	H	α-helix	trans	-66.7	-40.4	173	-171.7	177.9	-176.9	-176.2	1.9	111.7	E341 E342 Q349	E341-R345 WeakPolarHBondContact O-CB 3.23Å; E341-R345 PolarHBondContact O-N 2.92Å; E342-R345 WeakPolarHBondContact O-CB 3.34Å; E342-R345 PolarHBondContact O-N 3.47Å; R345-Q349 WeakPolarHBondContact O-CB 3.39Å; R345-Q349 VanDerWaalsContact O-CG 3.25Å; R345-Q349 WeakPolarHBondContact O-CG 3.5Å; R345-Q349 PolarHBondContact O-N 2.92Å
346	L	73	Confident	69.3	Low	85 Å²	85	118.5 Å²	118.5	45%	0.445	55%	0.551	S	S	.	*	H	α-helix	trans	-69.1	-36.8	176.2	-72.5	167.5	0	0	0	112.3	E342 K343 Q349 R350	E342-L346 WeakPolarHBondContact O-CB 3.1Å; E342-L346 VanDerWaalsContact O-CG 3.26Å; E342-L346 WeakPolarHBondContact O-CG 3.48Å; E342-L346 PolarHBondContact O-N 2.86Å; K343-L346 PolarHBondContact O-N 3.07Å; L346-Q349 PolarHBondContact O-N 3.08Å; L346-R350 WeakPolarHBondContact O-CB 3.26Å; L346-R350 VanDerWaalsContact O-CG 3.26Å; L346-R350 WeakPolarHBondContact O-CG 3.32Å; L346-R350 PolarHBondContact O-N 3.43Å
347	S	69.3	Low	71.1	Confident	46 Å²	46	114.1 Å²	114.1	32%	0.322	54%	0.542	S	S	.	.	H	α-helix	trans	-66.1	-48.2	174.2	68.3	0	0	0	0	111.3	K343 K344 Q349 R350 E351	K343-S347 PolarHBondContact O-N 2.84Å; K344-S347 PolarHBondContact O-OG 3.02Å; S347-Q349 VanDerWaalsContact C-N 3.26Å; S347-Q349 PolarHBondContact O-N 2.82Å; S347-R350 WeakPolarHBondContact O-CB 3.42Å; S347-R350 PolarHBondContact O-N 3.16Å; S347-E351 WeakPolarHBondContact O-CG 3.34Å; S347-E351 PolarHBondContact O-N 2.89Å
348	L	71.6	Confident	72.8	Confident	83 Å²	83	112.2 Å²	112.2	44%	0.435	54%	0.537	S	S	.	.	H	α-helix	trans	-59.8	-33.8	174.5	-72.5	168.8	0	0	0	112.9	K344 K352	K344-L348 HydrophobicContact CG-CD1 4.48Å; K344-L348 WeakPolarHBondContact O-CB 3.45Å; K344-L348 VanDerWaalsContact O-CG 3.3Å; K344-L348 WeakPolarHBondContact O-CG 3.49Å; K344-L348 PolarHBondContact O-N 3.29Å; K344-L348 VanDerWaalsContact O-N 3.09Å; L348-K352 WeakPolarHBondContact O-CB 3.46Å; L348-K352 VanDerWaalsContact O-CG 3.29Å; L348-K352 WeakPolarHBondContact O-CG 3.47Å; L348-K352 PolarHBondContact O-N 3.11Å
349	Q	70.9	Confident	74.6	Confident	90 Å²	90	105.7 Å²	105.7	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-68.9	-43.9	172.2	-78.9	174.6	-9.8	0	0	111.9	R345 L346 S347 K352 I353	R345-Q349 WeakPolarHBondContact O-CB 3.39Å; R345-Q349 VanDerWaalsContact O-CG 3.25Å; R345-Q349 WeakPolarHBondContact O-CG 3.5Å; R345-Q349 PolarHBondContact O-N 2.92Å; L346-Q349 PolarHBondContact O-N 3.08Å; S347-Q349 VanDerWaalsContact C-N 3.26Å; S347-Q349 PolarHBondContact O-N 2.82Å; Q349-K352 PolarHBondContact O-N 3.34Å; Q349-I353 WeakPolarHBondContact O-CD1 3.44Å; Q349-I353 VanDerWaalsContact O-CG1 3.24Å; Q349-I353 WeakPolarHBondContact O-CG1 3.49Å; Q349-I353 PolarHBondContact O-N 2.92Å
350	R	70.7	Confident	76.3	Confident	170 Å²	170	103.1 Å²	103.1	64%	0.642	50%	0.501	S	S	*	.	H	α-helix	trans	-61.7	-44.7	176.1	-74	168.9	-179.7	-171.1	-0	111.6	L346 S347 K352 I353 I354	L346-R350 WeakPolarHBondContact O-CB 3.26Å; L346-R350 VanDerWaalsContact O-CG 3.26Å; L346-R350 WeakPolarHBondContact O-CG 3.32Å; L346-R350 PolarHBondContact O-N 3.43Å; S347-R350 WeakPolarHBondContact O-CB 3.42Å; S347-R350 PolarHBondContact O-N 3.16Å; R350-K352 PolarHBondContact O-N 3.45Å; R350-I353 PolarHBondContact O-N 3.15Å; R350-I354 WeakPolarHBondContact O-CB 3.44Å; R350-I354 VanDerWaalsContact O-CG1 3.25Å; R350-I354 WeakPolarHBondContact O-CG1 3.26Å; R350-I354 PolarHBondContact O-N 3.45Å
351	E	74.3	Confident	77.8	Confident	111 Å²	111	104.5 Å²	104.5	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-58	-47.3	175.4	-73.8	162.5	-158.7	0	0	111.8	S347 I353 I354 A355	S347-E351 WeakPolarHBondContact O-CG 3.34Å; S347-E351 PolarHBondContact O-N 2.89Å; E351-I353 VanDerWaalsContact C-N 3.32Å; E351-I353 PolarHBondContact O-N 3.01Å; E351-I354 PolarHBondContact O-N 2.99Å; E351-A355 WeakPolarHBondContact O-CB 3.48Å; E351-A355 PolarHBondContact O-N 3.19Å
352	K	77.8	Confident	79.3	Confident	157 Å²	157	103.6 Å²	103.6	68%	0.683	49%	0.491	S	S	*	.	H	α-helix	trans	-61.8	-37.2	175.5	-74.4	174.8	-179.7	-176.3	0	112.9	L348 Q349 R350 R356	L348-K352 WeakPolarHBondContact O-CB 3.46Å; L348-K352 VanDerWaalsContact O-CG 3.29Å; L348-K352 WeakPolarHBondContact O-CG 3.47Å; L348-K352 PolarHBondContact O-N 3.11Å; Q349-K352 PolarHBondContact O-N 3.34Å; R350-K352 PolarHBondContact O-N 3.45Å; K352-R356 WeakPolarHBondContact O-CB 3.25Å; K352-R356 PolarHBondContact O-N 3.33Å; K352-R356 VanDerWaalsContact O-N 3.08Å
353	I	76.8	Confident	80.7	Confident	106 Å²	106	98.2 Å²	98.2	54%	0.544	47%	0.466	S	S	.	.	H	α-helix	trans	-67.6	-45.6	174.9	-68.9	162.7	0	0	0	110.6	Q349 R350 E351 R356 V357	Q349-I353 WeakPolarHBondContact O-CD1 3.44Å; Q349-I353 VanDerWaalsContact O-CG1 3.24Å; Q349-I353 WeakPolarHBondContact O-CG1 3.49Å; Q349-I353 PolarHBondContact O-N 2.92Å; R350-I353 PolarHBondContact O-N 3.15Å; E351-I353 VanDerWaalsContact C-N 3.32Å; E351-I353 PolarHBondContact O-N 3.01Å; I353-R356 PolarHBondContact O-N 3.02Å; I353-V357 HydrophobicContact CG2-CG2 4.32Å; I353-V357 WeakPolarHBondContact O-CB 3.46Å; I353-V357 VanDerWaalsContact O-CG2 3.32Å; I353-V357 WeakPolarHBondContact O-CG2 3.35Å; I353-V357 PolarHBondContact O-N 3.19Å
354	I	76.1	Confident	81.9	Confident	118 Å²	118	94.6 Å²	94.6	61%	0.605	45%	0.448	S	S	*	.	H	α-helix	trans	-61.8	-46	178.7	-69.3	162.2	0	0	0	110.6	R350 E351 R356 V357 S358	R350-I354 WeakPolarHBondContact O-CB 3.44Å; R350-I354 VanDerWaalsContact O-CG1 3.25Å; R350-I354 WeakPolarHBondContact O-CG1 3.26Å; R350-I354 PolarHBondContact O-N 3.45Å; E351-I354 PolarHBondContact O-N 2.99Å; I354-R356 PolarHBondContact O-N 2.84Å; I354-V357 PolarHBondContact O-N 3.49Å; I354-S358 WeakPolarHBondContact O-CB 3.37Å; I354-S358 PolarHBondContact O-N 3.49Å
355	A	82.8	Confident	83.1	Confident	52 Å²	52	90.5 Å²	90.5	43%	0.43	44%	0.441	S	S	.	.	H	α-helix	trans	-58.1	-46.9	175.6	0	0	0	0	0	111.5	E351 S358 I359	E351-A355 WeakPolarHBondContact O-CB 3.48Å; E351-A355 PolarHBondContact O-N 3.19Å; A355-S358 WeakPolarHBondContact O-CB 3.35Å; A355-S358 PolarHBondContact O-N 3.14Å; A355-I359 WeakPolarHBondContact O-CG1 3.46Å; A355-I359 PolarHBondContact O-N 2.89Å
356	R	86	Confident	84.4	Confident	160 Å²	160	83.7 Å²	83.7	60%	0.604	42%	0.417	S	S	*	.	H	α-helix	trans	-62.8	-46.2	177.2	-173.6	175.9	-177.3	167.3	5.6	112.7	K352 I353 I354 S358 I359 D360	K352-R356 WeakPolarHBondContact O-CB 3.25Å; K352-R356 PolarHBondContact O-N 3.33Å; K352-R356 VanDerWaalsContact O-N 3.08Å; I353-R356 PolarHBondContact O-N 3.02Å; I354-R356 PolarHBondContact O-N 2.84Å; R356-S358 VanDerWaalsContact C-N 3.26Å; R356-S358 PolarHBondContact O-N 2.62Å; R356-I359 PolarHBondContact O-N 3.02Å; R356-D360 WeakPolarHBondContact O-CB 3.4Å; R356-D360 VanDerWaalsContact O-CG 3.23Å; R356-D360 PolarHBondContact O-N 3.35Å
357	V	89.6	Confident	85.5	Confident	70 Å²	70	79.7 Å²	79.7	42%	0.424	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-35.7	177.3	170.8	0	0	0	0	111.2	I353 I354 D360 N361	I353-V357 HydrophobicContact CG2-CG2 4.32Å; I353-V357 WeakPolarHBondContact O-CB 3.46Å; I353-V357 VanDerWaalsContact O-CG2 3.32Å; I353-V357 WeakPolarHBondContact O-CG2 3.35Å; I353-V357 PolarHBondContact O-N 3.19Å; I354-V357 PolarHBondContact O-N 3.49Å; V357-D360 PolarHBondContact O-N 3.3Å; V357-N361 VanDerWaalsContact O-CB 3.29Å; V357-N361 WeakPolarHBondContact O-CB 3.36Å; V357-N361 PolarHBondContact O-N 2.66Å; V357-N361 PolarHBondContact O-ND2 3.21Å
358	S	91.8	Very high	86.8	Confident	76 Å²	76	80.9 Å²	80.9	53%	0.531	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-47.8	173.3	-170.6	0	0	0	0	111.9	I354 A355 R356 D360 N361 R362	I354-S358 WeakPolarHBondContact O-CB 3.37Å; I354-S358 PolarHBondContact O-N 3.49Å; A355-S358 WeakPolarHBondContact O-CB 3.35Å; A355-S358 PolarHBondContact O-N 3.14Å; R356-S358 VanDerWaalsContact C-N 3.26Å; R356-S358 PolarHBondContact O-N 2.62Å; S358-D360 PolarHBondContact O-N 2.99Å; S358-N361 PolarHBondContact O-N 2.7Å; S358-R362 WeakPolarHBondContact O-CB 3.34Å; S358-R362 PolarHBondContact O-N 2.74Å
359	I	91.9	Very high	87.9	Confident	29 Å²	29	78.2 Å²	78.2	15%	0.149	39%	0.387	C	S	.	.	H	α-helix	trans	-59.1	-47.2	174.9	-68.1	161.4	0	0	0	110.9	A355 R356 N361 R362 T363 F393	A355-I359 WeakPolarHBondContact O-CG1 3.46Å; A355-I359 PolarHBondContact O-N 2.89Å; R356-I359 PolarHBondContact O-N 3.02Å; I359-N361 VanDerWaalsContact C-N 3.34Å; I359-N361 PolarHBondContact O-N 3.42Å; I359-R362 PolarHBondContact O-N 3.37Å; I359-T363 WeakPolarHBondContact O-CB 3.43Å; I359-T363 PolarHBondContact O-N 2.86Å; I359-T363 PolarHBondContact O-OG1 3.27Å; I359-F393 HydrophobicContact CD1-CB 4.32Å; I359-F393 HydrophobicContact CD1-CD1 3.44Å; I359-F393 VanDerWaalsContact CD1-CD1 3.44Å; I359-F393 HydrophobicContact CD1-CE1 3.95Å; I359-F393 HydrophobicContact CD1-CG 3.96Å; I359-F393 HydrophobicContact CG1-CB 4.38Å; I359-F393 HydrophobicContact CG1-CD1 3.84Å; I359-F393 HydrophobicContact CG1-CD2 4.39Å; I359-F393 HydrophobicContact CG1-CE1 4.23Å; I359-F393 HydrophobicContact CG1-CG 3.93Å; I359-F393 HydrophobicContact CG2-CB 3.66Å; I359-F393 HydrophobicContact CG2-CG 4.1Å
360	D	94.1	Very high	89	Confident	33 Å²	33	74 Å²	74	18%	0.176	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-42.1	179.5	-69.4	-10.8	0	0	0	111.2	R356 V357 S358 T363 R364 V399	R356-D360 WeakPolarHBondContact O-CB 3.4Å; R356-D360 VanDerWaalsContact O-CG 3.23Å; R356-D360 PolarHBondContact O-N 3.35Å; V357-D360 PolarHBondContact O-N 3.3Å; S358-D360 PolarHBondContact O-N 2.99Å; D360-T363 PolarHBondContact O-N 2.86Å; D360-R364 PolarHBondContact O-N 3Å; D360-V399 HydrophobicContact CB-CG2 3.97Å; D360-V399 VanDerWaalsContact OD1-CG2 3.31Å; D360-V399 WeakPolarHBondContact OD1-CG2 3.38Å
361	N	95.3	Very high	90	Very high	83 Å²	83	70.1 Å²	70.1	44%	0.444	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-42.9	177.2	-73.2	-20.2	0	0	0	112.6	V357 S358 I359 T363 R364 A365	V357-N361 VanDerWaalsContact O-CB 3.29Å; V357-N361 WeakPolarHBondContact O-CB 3.36Å; V357-N361 PolarHBondContact O-N 2.66Å; V357-N361 PolarHBondContact O-ND2 3.21Å; S358-N361 PolarHBondContact O-N 2.7Å; I359-N361 VanDerWaalsContact C-N 3.34Å; I359-N361 PolarHBondContact O-N 3.42Å; N361-T363 VanDerWaalsContact C-N 3.35Å; N361-R364 PolarHBondContact O-N 3.24Å; N361-R364 PolarHBondContact OD1-NH1 2.91Å; N361-A365 WeakPolarHBondContact O-CB 3.48Å; N361-A365 PolarHBondContact O-N 2.85Å
362	R	95.5	Very high	90.9	Very high	125 Å²	125	73.9 Å²	73.9	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-43.2	174.3	-176.8	172.6	176.6	-169.9	-3.9	111.1	S358 I359 R364 A365 L366 H389	S358-R362 WeakPolarHBondContact O-CB 3.34Å; S358-R362 PolarHBondContact O-N 2.74Å; I359-R362 PolarHBondContact O-N 3.37Å; R362-R364 PolarHBondContact O-N 3.12Å; R362-A365 PolarHBondContact O-N 2.96Å; R362-L366 HydrophobicContact CG-CD1 4.19Å; R362-L366 WeakPolarHBondContact O-CG 3.43Å; R362-L366 PolarHBondContact O-N 3.05Å; R362-H389 WeakPolarHBondContact CD-ND1 3.26Å; R362-H389 PolarHBondContact NE-ND1 3.02Å
363	T	96.2	Very high	91.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-48	175.3	-50.6	0	0	0	0	111.2	I359 D360 N361 A365 L366 V367 H389 L390 G396 V399 A400	I359-T363 WeakPolarHBondContact O-CB 3.43Å; I359-T363 PolarHBondContact O-N 2.86Å; I359-T363 PolarHBondContact O-OG1 3.27Å; D360-T363 PolarHBondContact O-N 2.86Å; N361-T363 VanDerWaalsContact C-N 3.35Å; T363-A365 PolarHBondContact O-N 2.78Å; T363-L366 PolarHBondContact O-N 2.9Å; T363-V367 WeakPolarHBondContact O-CG2 3.36Å; T363-V367 PolarHBondContact O-N 3.35Å; T363-H389 PolarHBondContact OG1-NE2 3.27Å; T363-L390 HydrophobicContact CG2-CD2 4.27Å; T363-G396 WeakPolarHBondContact CG2-O 3.23Å; T363-V399 HydrophobicContact CG2-CB 4.23Å; T363-V399 HydrophobicContact CG2-CG1 4.32Å; T363-A400 HydrophobicContact CG2-CB 3.89Å
364	R	96.4	Very high	92	Very high	80 Å²	80	68.7 Å²	68.7	30%	0.302	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-43.4	177.4	-176	179	-55.7	102.5	8.4	112	D360 N361 R362 V367 Q368 E403	D360-R364 PolarHBondContact O-N 3Å; N361-R364 PolarHBondContact O-N 3.24Å; N361-R364 PolarHBondContact OD1-NH1 2.91Å; R362-R364 PolarHBondContact O-N 3.12Å; R364-V367 PolarHBondContact O-N 3.48Å; R364-Q368 HydrophobicContact CG-CG 4.5Å; R364-Q368 WeakPolarHBondContact O-CB 3.47Å; R364-Q368 VanDerWaalsContact O-CG 3.31Å; R364-Q368 WeakPolarHBondContact O-CG 3.35Å; R364-Q368 PolarHBondContact O-N 3.04Å; R364-E403 WeakPolarHBondContact CD-OE1 3.09Å; R364-E403 HydrophobicContact CG-CG 4.25Å; R364-E403 WeakPolarHBondContact CG-OE1 3.36Å; R364-E403 IonicContact CZ-OE1 2.72Å; R364-E403 IonicContact NE-OE1 2.77Å; R364-E403 PolarHBondContact NE-OE1 2.91Å; R364-E403 IonicContact NH2-OE1 3.31Å
365	A	96.6	Very high	92.6	Very high	58 Å²	58	66.6 Å²	66.6	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-45.2	178.1	0	0	0	0	0	112	N361 R362 T363 Q368 A369	N361-A365 WeakPolarHBondContact O-CB 3.48Å; N361-A365 PolarHBondContact O-N 2.85Å; R362-A365 PolarHBondContact O-N 2.96Å; T363-A365 PolarHBondContact O-N 2.78Å; A365-Q368 PolarHBondContact O-N 3.28Å; A365-A369 WeakPolarHBondContact O-CB 3.31Å; A365-A369 PolarHBondContact O-N 3.2Å
366	L	96.6	Very high	92.7	Very high	26 Å²	26	66.9 Å²	66.9	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-44.8	176.7	-69.4	170.7	0	0	0	112	R362 T363 Q368 A369 L370 E385 L386 H389	R362-L366 HydrophobicContact CG-CD1 4.19Å; R362-L366 WeakPolarHBondContact O-CG 3.43Å; R362-L366 PolarHBondContact O-N 3.05Å; T363-L366 PolarHBondContact O-N 2.9Å; L366-Q368 VanDerWaalsContact C-N 3.32Å; L366-Q368 PolarHBondContact O-N 3.41Å; L366-A369 PolarHBondContact O-N 3.05Å; L366-L370 WeakPolarHBondContact O-CB 3.37Å; L366-L370 PolarHBondContact O-N 3.46Å; L366-E385 HydrophobicContact CD2-CB 4.27Å; L366-L386 HydrophobicContact CB-CB 4.49Å; L366-L386 HydrophobicContact CB-CD1 3.84Å; L366-L386 HydrophobicContact CD1-CD1 4.24Å; L366-H389 HydrophobicContact CD1-CB 3.61Å
367	V	96.3	Very high	92.8	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-38.5	175.2	167.9	0	0	0	0	112	T363 R364 R371 L386 A400 E403 I405	T363-V367 WeakPolarHBondContact O-CG2 3.36Å; T363-V367 PolarHBondContact O-N 3.35Å; R364-V367 PolarHBondContact O-N 3.48Å; V367-R371 WeakPolarHBondContact O-CG 3.39Å; V367-R371 PolarHBondContact O-N 3.23Å; V367-L386 HydrophobicContact CG2-CD1 4.22Å; V367-L386 HydrophobicContact CG2-CD2 3.88Å; V367-A400 HydrophobicContact CG2-CB 4.2Å; V367-E403 HydrophobicContact CG1-CB 3.82Å; V367-I405 HydrophobicContact CG1-CB 4.43Å; V367-I405 HydrophobicContact CG1-CD1 4.12Å; V367-I405 HydrophobicContact CG2-CB 4.31Å; V367-I405 HydrophobicContact CG2-CD1 4.26Å; V367-I405 HydrophobicContact CG2-CG1 4.3Å
368	Q	95.4	Very high	92.9	Very high	72 Å²	72	67 Å²	67	34%	0.336	34%	0.338	S	S	.	.	H	α-helix	trans	-71.2	-38	175.5	-72.4	-178.1	11.2	0	0	112.7	R364 A365 L366 R371 R372	R364-Q368 HydrophobicContact CG-CG 4.5Å; R364-Q368 WeakPolarHBondContact O-CB 3.47Å; R364-Q368 VanDerWaalsContact O-CG 3.31Å; R364-Q368 WeakPolarHBondContact O-CG 3.35Å; R364-Q368 PolarHBondContact O-N 3.04Å; A365-Q368 PolarHBondContact O-N 3.28Å; L366-Q368 VanDerWaalsContact C-N 3.32Å; L366-Q368 PolarHBondContact O-N 3.41Å; Q368-R371 PolarHBondContact O-N 3.47Å; Q368-R372 WeakPolarHBondContact O-CG 3.43Å; Q368-R372 PolarHBondContact O-N 2.84Å; Q368-R372 VanDerWaalsContact O-N 3.17Å
369	A	94.5	Very high	93	Very high	27 Å²	27	63.6 Å²	63.6	22%	0.223	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-48.4	176	0	0	0	0	0	111.4	A365 L366 R371 R372 T373	A365-A369 WeakPolarHBondContact O-CB 3.31Å; A365-A369 PolarHBondContact O-N 3.2Å; L366-A369 PolarHBondContact O-N 3.05Å; A369-R371 VanDerWaalsContact C-N 3.25Å; A369-R371 PolarHBondContact O-N 3.13Å; A369-R372 PolarHBondContact O-N 2.89Å; A369-R372 VanDerWaalsContact O-N 3.11Å; A369-T373 PolarHBondContact O-N 2.83Å; A369-T373 PolarHBondContact O-OG1 3Å
370	L	95	Very high	93.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-37.7	175.6	175.5	51.8	0	0	0	111.9	L366 T373 R382 V383 L386 I405 Y408 L409 L412	L366-L370 WeakPolarHBondContact O-CB 3.37Å; L366-L370 PolarHBondContact O-N 3.46Å; L370-T373 PolarHBondContact O-N 2.86Å; L370-R382 HydrophobicContact CB-CB 4.06Å; L370-R382 HydrophobicContact CD1-CB 3.82Å; L370-R382 HydrophobicContact CG-CB 4.46Å; L370-V383 HydrophobicContact CD1-CG2 3.75Å; L370-V383 HydrophobicContact CD2-CG2 3.92Å; L370-L386 HydrophobicContact CD2-CD2 4.03Å; L370-I405 HydrophobicContact CD2-CD1 3.84Å; L370-Y408 HydrophobicContact CD1-CE1 4.1Å; L370-Y408 HydrophobicContact CG-CD1 4.25Å; L370-Y408 HydrophobicContact CG-CE1 3.87Å; L370-Y408 WeakPolarHBondContact O-CE1 3.5Å; L370-Y408 PolarHBondContact O-OH 2.78Å; L370-Y408 VanDerWaalsContact O-OH 3.05Å; L370-L409 HydrophobicContact CD2-CD2 4.44Å; L370-L412 HydrophobicContact CD1-CD1 4.15Å
371	R	92.1	Very high	93.2	Very high	90 Å²	90	65.1 Å²	65.1	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-71.3	-27.6	175.9	-79.8	173	163.5	170.3	-3.5	116.1	V367 Q368 A369 T373 E403 R404 Y408	V367-R371 WeakPolarHBondContact O-CG 3.39Å; V367-R371 PolarHBondContact O-N 3.23Å; Q368-R371 PolarHBondContact O-N 3.47Å; A369-R371 VanDerWaalsContact C-N 3.25Å; A369-R371 PolarHBondContact O-N 3.13Å; R371-T373 VanDerWaalsContact C-N 3.33Å; R371-E403 PolarHBondContact NH1-O 2.62Å; R371-E403 PolarHBondContact NH2-O 3.1Å; R371-R404 VanDerWaalsContact NH2-C 3.26Å; R371-R404 PolarHBondContact NH2-O 2.87Å; R371-Y408 HydrophobicContact CG-CD1 4.2Å; R371-Y408 HydrophobicContact CG-CD2 4.22Å; R371-Y408 HydrophobicContact CG-CE1 4.33Å; R371-Y408 HydrophobicContact CG-CE2 4.36Å; R371-Y408 HydrophobicContact CG-CG 4.14Å
372	R	92.3	Very high	93.2	Very high	190 Å²	190	64.8 Å²	64.8	72%	0.717	32%	0.317	S	S	*	.	H	α-helix	trans	-82.9	-16.5	177.6	-69.6	171	-172.3	165.8	6.1	112	Q368 A369	Q368-R372 WeakPolarHBondContact O-CG 3.43Å; Q368-R372 PolarHBondContact O-N 2.84Å; Q368-R372 VanDerWaalsContact O-N 3.17Å; A369-R372 PolarHBondContact O-N 2.89Å; A369-R372 VanDerWaalsContact O-N 3.11Å
373	T	91.7	Very high	93.2	Very high	17 Å²	17	58.9 Å²	58.9	10%	0.104	30%	0.295	C	S	.	.			trans	-78.6	130.8	-178.6	-54.8	0	0	0	0	110.3	A369 L370 R371 L378 C379 Y408	A369-T373 PolarHBondContact O-N 2.83Å; A369-T373 PolarHBondContact O-OG1 3Å; L370-T373 PolarHBondContact O-N 2.86Å; R371-T373 VanDerWaalsContact C-N 3.33Å; T373-L378 HydrophobicContact CG2-CB 3.67Å; T373-L378 HydrophobicContact CG2-CD2 3.89Å; T373-L378 HydrophobicContact CG2-CG 3.62Å; T373-C379 HydrophobicContact CG2-CB 4.35Å; T373-C379 VanDerWaalsContact CG2-SG 3.53Å; T373-Y408 PolarHBondContact O-OH 2.66Å
374	T	85.4	Confident	93.2	Very high	137 Å²	137	62.3 Å²	62.3	84%	0.84	31%	0.311	S	S	*	.			trans	-114.7	-26.3	177.1	50.9	0	0	0	0	113.1
375	D	88.8	Confident	93.2	Very high	74 Å²	74	61.8 Å²	61.8	40%	0.396	31%	0.312	S	S	.	.	S	Bend	trans	-68.4	124.1	174.6	166.2	35.7	0	0	0	111.1	K377 L378 C379	D375-K377 VanDerWaalsContact C-N 3.3Å; D375-K377 PolarHBondContact O-N 2.92Å; D375-K377 PolarHBondContact OD1-N 3.46Å; D375-K377 VanDerWaalsContact OD1-N 3.09Å; D375-L378 HydrophobicContact CB-CB 4.17Å; D375-L378 PolarHBondContact O-N 3.48Å; D375-L378 WeakPolarHBondContact OD2-CB 3.33Å; D375-L378 PolarHBondContact OD2-N 2.93Å; D375-C379 WeakPolarHBondContact O-CB 3.45Å; D375-C379 PolarHBondContact O-N 3.06Å; D375-C379 PolarHBondContact O-SG 3Å
376	P	84.4	Confident	93.3	Very high	57 Å²	57	59 Å²	59	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-53.9	-39.8	176.2	-27.8	35.9	0	0	0	114.4	C379 I380	P376-C379 WeakPolarHBondContact O-CB 3.44Å; P376-C379 PolarHBondContact O-N 2.7Å; P376-I380 WeakPolarHBondContact O-CG1 3.25Å; P376-I380 PolarHBondContact O-N 2.9Å; P376-I380 VanDerWaalsContact O-N 3.15Å
377	K	88.2	Confident	93.3	Very high	163 Å²	163	58 Å²	58	71%	0.709	28%	0.284	S	S	*	.	H	α-helix	trans	-67.9	-49.8	-177.5	-69.5	-177.3	179.1	178.6	0	111.2	D375 C379 I380 T381	D375-K377 VanDerWaalsContact C-N 3.3Å; D375-K377 PolarHBondContact O-N 2.92Å; D375-K377 PolarHBondContact OD1-N 3.46Å; D375-K377 VanDerWaalsContact OD1-N 3.09Å; K377-C379 VanDerWaalsContact C-N 3.27Å; K377-C379 PolarHBondContact O-N 3.19Å; K377-I380 WeakPolarHBondContact O-CB 3.5Å; K377-I380 PolarHBondContact O-N 3.21Å; K377-T381 PolarHBondContact O-N 3.27Å
378	L	92.7	Very high	93.2	Very high	71 Å²	71	62.9 Å²	62.9	37%	0.372	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-34	174.5	-173.2	57	0	0	0	112	T373 D375 I380 T381 R382	T373-L378 HydrophobicContact CG2-CB 3.67Å; T373-L378 HydrophobicContact CG2-CD2 3.89Å; T373-L378 HydrophobicContact CG2-CG 3.62Å; D375-L378 HydrophobicContact CB-CB 4.17Å; D375-L378 PolarHBondContact O-N 3.48Å; D375-L378 WeakPolarHBondContact OD2-CB 3.33Å; D375-L378 PolarHBondContact OD2-N 2.93Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 PolarHBondContact O-N 3.09Å; L378-T381 PolarHBondContact O-N 3.24Å; L378-R382 HydrophobicContact CG-CG 4.42Å; L378-R382 WeakPolarHBondContact O-CG 3.45Å; L378-R382 PolarHBondContact O-N 3.14Å
379	C	93	Very high	93.3	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-41.4	173.7	-88.4	0	0	0	0	112.5	T373 D375 P376 K377 R382 V383 L420	T373-C379 HydrophobicContact CG2-CB 4.35Å; T373-C379 VanDerWaalsContact CG2-SG 3.53Å; D375-C379 WeakPolarHBondContact O-CB 3.45Å; D375-C379 PolarHBondContact O-N 3.06Å; D375-C379 PolarHBondContact O-SG 3Å; P376-C379 WeakPolarHBondContact O-CB 3.44Å; P376-C379 PolarHBondContact O-N 2.7Å; K377-C379 VanDerWaalsContact C-N 3.27Å; K377-C379 PolarHBondContact O-N 3.19Å; C379-R382 PolarHBondContact O-N 2.98Å; C379-V383 WeakPolarHBondContact O-CG2 3.24Å; C379-V383 PolarHBondContact O-N 3.46Å; C379-L420 HydrophobicContact CB-CD1 4.11Å
380	I	94.6	Very high	93.3	Very high	27 Å²	27	58.2 Å²	58.2	14%	0.138	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-52.9	175.8	-63.3	159.7	0	0	0	109.7	P376 K377 L378 R382 V383 E384 T419 L420	P376-I380 WeakPolarHBondContact O-CG1 3.25Å; P376-I380 PolarHBondContact O-N 2.9Å; P376-I380 VanDerWaalsContact O-N 3.15Å; K377-I380 WeakPolarHBondContact O-CB 3.5Å; K377-I380 PolarHBondContact O-N 3.21Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 PolarHBondContact O-N 3.09Å; I380-R382 VanDerWaalsContact C-N 3.31Å; I380-R382 PolarHBondContact O-N 3.42Å; I380-V383 PolarHBondContact O-N 2.87Å; I380-V383 VanDerWaalsContact O-N 3.09Å; I380-E384 HydrophobicContact CG2-CG 4.46Å; I380-E384 WeakPolarHBondContact O-CG 3.43Å; I380-E384 PolarHBondContact O-N 3.05Å; I380-T419 WeakPolarHBondContact CD1-OG1 3.22Å; I380-L420 HydrophobicContact CD1-CB 4.36Å; I380-L420 HydrophobicContact CG1-CB 3.84Å; I380-L420 HydrophobicContact CG1-CD1 3.93Å; I380-L420 HydrophobicContact CG1-CG 4.46Å
381	T	95.5	Very high	93.3	Very high	67 Å²	67	59.7 Å²	59.7	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-41.4	178.9	-50.5	0	0	0	0	112.1	K377 L378 E384 E385	K377-T381 PolarHBondContact O-N 3.27Å; L378-T381 PolarHBondContact O-N 3.24Å; T381-E384 PolarHBondContact O-N 3.41Å; T381-E385 HydrophobicContact CG2-CG 4.5Å; T381-E385 WeakPolarHBondContact O-CB 3.41Å; T381-E385 VanDerWaalsContact O-CG 3.32Å; T381-E385 WeakPolarHBondContact O-CG 3.07Å; T381-E385 PolarHBondContact O-N 3.25Å
382	R	95.8	Very high	93.3	Very high	76 Å²	76	60.2 Å²	60.2	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-67.7	-32.5	176.6	-66.8	-49	-175.7	-170.9	-6.7	113.7	L370 L378 C379 I380 E385 L386	L370-R382 HydrophobicContact CB-CB 4.06Å; L370-R382 HydrophobicContact CD1-CB 3.82Å; L370-R382 HydrophobicContact CG-CB 4.46Å; L378-R382 HydrophobicContact CG-CG 4.42Å; L378-R382 WeakPolarHBondContact O-CG 3.45Å; L378-R382 PolarHBondContact O-N 3.14Å; C379-R382 PolarHBondContact O-N 2.98Å; I380-R382 VanDerWaalsContact C-N 3.31Å; I380-R382 PolarHBondContact O-N 3.42Å; R382-E385 WeakPolarHBondContact CD-OE2 3.4Å; R382-E385 IonicContact CZ-OE1 2.84Å; R382-E385 IonicContact CZ-OE2 3.96Å; R382-E385 IonicContact NE-OE2 3.04Å; R382-E385 VanDerWaalsContact NH1-CD 3.3Å; R382-E385 IonicContact NH1-OE1 2.87Å; R382-E385 PolarHBondContact NH1-OE1 3.22Å; R382-E385 IonicContact NH1-OE2 3.64Å; R382-E385 PolarHBondContact NH1-OE2 3.41Å; R382-L386 WeakPolarHBondContact O-CB 3.43Å; R382-L386 PolarHBondContact O-N 2.96Å
383	V	96.7	Very high	93.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-47.4	171.1	170.6	0	0	0	0	109.7	L370 C379 I380 L386 T387 L409 L412 L420 A423 V424 I427	L370-V383 HydrophobicContact CD1-CG2 3.75Å; L370-V383 HydrophobicContact CD2-CG2 3.92Å; C379-V383 WeakPolarHBondContact O-CG2 3.24Å; C379-V383 PolarHBondContact O-N 3.46Å; I380-V383 PolarHBondContact O-N 2.87Å; I380-V383 VanDerWaalsContact O-N 3.09Å; V383-L386 PolarHBondContact O-N 3.01Å; V383-T387 PolarHBondContact O-N 3.14Å; V383-T387 PolarHBondContact O-OG1 3.29Å; V383-L409 HydrophobicContact CG2-CD2 4.28Å; V383-L412 HydrophobicContact CG2-CD1 4.45Å; V383-L420 HydrophobicContact CG2-CD1 4.46Å; V383-A423 HydrophobicContact CB-CB 4.44Å; V383-A423 HydrophobicContact CG1-CB 3.87Å; V383-A423 WeakPolarHBondContact CG1-O 3.4Å; V383-V424 HydrophobicContact CG2-CG2 4.25Å; V383-I427 HydrophobicContact CG1-CB 4.27Å; V383-I427 HydrophobicContact CG1-CG2 3.81Å
384	E	95.9	Very high	93.2	Very high	73 Å²	73	55.7 Å²	55.7	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-40.1	-178.7	-67.7	-177.4	147.4	0	0	112.8	I380 T381 L386 T387 F388 A423 R555	I380-E384 HydrophobicContact CG2-CG 4.46Å; I380-E384 WeakPolarHBondContact O-CG 3.43Å; I380-E384 PolarHBondContact O-N 3.05Å; T381-E384 PolarHBondContact O-N 3.41Å; E384-L386 VanDerWaalsContact C-N 3.31Å; E384-L386 PolarHBondContact O-N 3.38Å; E384-T387 PolarHBondContact O-N 2.92Å; E384-F388 WeakPolarHBondContact O-CB 3.47Å; E384-F388 PolarHBondContact O-N 3.12Å; E384-A423 HydrophobicContact CG-CB 4.26Å; E384-R555 IonicContact OE1-CZ 3.99Å; E384-R555 VanDerWaalsContact OE1-CZ 3.31Å; E384-R555 IonicContact OE1-NH1 3.27Å; E384-R555 PolarHBondContact OE1-NH1 2.87Å; E384-R555 IonicContact OE1-NH2 3.28Å; E384-R555 PolarHBondContact OE1-NH2 3.19Å
385	E	96.4	Very high	93.3	Very high	68 Å²	68	54.8 Å²	54.8	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-55.7	-43.6	170.2	-78.4	175	177.4	0	0	112.2	L366 T381 R382 H389	L366-E385 HydrophobicContact CD2-CB 4.27Å; T381-E385 HydrophobicContact CG2-CG 4.5Å; T381-E385 WeakPolarHBondContact O-CB 3.41Å; T381-E385 VanDerWaalsContact O-CG 3.32Å; T381-E385 WeakPolarHBondContact O-CG 3.07Å; T381-E385 PolarHBondContact O-N 3.25Å; R382-E385 WeakPolarHBondContact CD-OE2 3.4Å; R382-E385 IonicContact CZ-OE1 2.84Å; R382-E385 IonicContact CZ-OE2 3.96Å; R382-E385 IonicContact NE-OE2 3.04Å; R382-E385 VanDerWaalsContact NH1-CD 3.3Å; R382-E385 IonicContact NH1-OE1 2.87Å; R382-E385 PolarHBondContact NH1-OE1 3.22Å; R382-E385 IonicContact NH1-OE2 3.64Å; R382-E385 PolarHBondContact NH1-OE2 3.41Å; E385-H389 WeakPolarHBondContact O-CB 3.26Å; E385-H389 PolarHBondContact O-N 3.31Å; E385-H389 VanDerWaalsContact O-N 3.13Å
386	L	97.2	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-72.5	-38.4	178.4	-178.6	61.6	0	0	0	111.7	L366 V367 L370 R382 V383 E384 H389 L390 I405 I427	L366-L386 HydrophobicContact CB-CB 4.49Å; L366-L386 HydrophobicContact CB-CD1 3.84Å; L366-L386 HydrophobicContact CD1-CD1 4.24Å; V367-L386 HydrophobicContact CG2-CD1 4.22Å; V367-L386 HydrophobicContact CG2-CD2 3.88Å; L370-L386 HydrophobicContact CD2-CD2 4.03Å; R382-L386 WeakPolarHBondContact O-CB 3.43Å; R382-L386 PolarHBondContact O-N 2.96Å; V383-L386 PolarHBondContact O-N 3.01Å; E384-L386 VanDerWaalsContact C-N 3.31Å; E384-L386 PolarHBondContact O-N 3.38Å; L386-H389 PolarHBondContact O-N 2.63Å; L386-L390 HydrophobicContact CD1-CD1 4.07Å; L386-L390 HydrophobicContact CD1-CG 4.1Å; L386-L390 HydrophobicContact CG-CD1 4.02Å; L386-L390 HydrophobicContact CG-CG 4.42Å; L386-L390 WeakPolarHBondContact O-CB 3.44Å; L386-L390 VanDerWaalsContact O-CG 3.25Å; L386-L390 WeakPolarHBondContact O-CG 3.46Å; L386-L390 PolarHBondContact O-N 3.1Å; L386-I405 HydrophobicContact CD2-CD1 4.25Å; L386-I405 HydrophobicContact CD2-CG1 4.12Å; L386-I427 HydrophobicContact CB-CD1 4.05Å; L386-I427 HydrophobicContact CD2-CD1 3.64Å; L386-I427 HydrophobicContact CG-CD1 3.68Å
387	T	97	Very high	93.9	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-48.6	174.1	-58	0	0	0	0	111	V383 E384 H389 L390 L391 E426 I427 L430	V383-T387 PolarHBondContact O-N 3.14Å; V383-T387 PolarHBondContact O-OG1 3.29Å; E384-T387 PolarHBondContact O-N 2.92Å; T387-H389 PolarHBondContact O-N 2.75Å; T387-L390 CarbonylContact O-C 3.6Å; T387-L390 PolarHBondContact O-N 3.3Å; T387-L391 HydrophobicContact CG2-CD1 4.16Å; T387-L391 WeakPolarHBondContact O-CG 3.44Å; T387-L391 PolarHBondContact O-N 3.22Å; T387-E426 HydrophobicContact CG2-CG 4.26Å; T387-E426 WeakPolarHBondContact CG2-OE1 3.48Å; T387-I427 WeakPolarHBondContact OG1-CB 3.4Å; T387-L430 HydrophobicContact CG2-CD2 3.82Å; T387-L430 WeakPolarHBondContact O-CD2 3.48Å
388	F	95.6	Very high	94.1	Very high	104 Å²	104	42.6 Å²	42.6	46%	0.456	21%	0.211	S	C	.	.	H	α-helix	trans	-58.5	-49.9	177.3	-179.6	-89.1	0	0	0	111.5	L291 E384 L390 L391 E392	L291-F388 HydrophobicContact CD2-CE2 4.42Å; E384-F388 WeakPolarHBondContact O-CB 3.47Å; E384-F388 PolarHBondContact O-N 3.12Å; F388-L390 VanDerWaalsContact C-N 3.28Å; F388-L390 PolarHBondContact O-N 2.79Å; F388-L391 WeakPolarHBondContact O-CB 3.43Å; F388-L391 PolarHBondContact O-N 3.33Å; F388-L391 VanDerWaalsContact O-N 3.09Å; F388-E392 WeakPolarHBondContact CE1-OE2 3.37Å; F388-E392 PolarHBondContact O-N 3.19Å
389	H	96.3	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-36.1	177.3	174.8	84.2	0	0	0	112.8	R362 T363 L366 E385 L386 T387 F393	R362-H389 WeakPolarHBondContact CD-ND1 3.26Å; R362-H389 PolarHBondContact NE-ND1 3.02Å; T363-H389 PolarHBondContact OG1-NE2 3.27Å; L366-H389 HydrophobicContact CD1-CB 3.61Å; E385-H389 WeakPolarHBondContact O-CB 3.26Å; E385-H389 PolarHBondContact O-N 3.31Å; E385-H389 VanDerWaalsContact O-N 3.13Å; L386-H389 PolarHBondContact O-N 2.63Å; T387-H389 PolarHBondContact O-N 2.75Å; H389-F393 AromaticContact CE1-CD2 3.72Å; H389-F393 AromaticContact ND1-CD2 3.77Å; H389-F393 PolarHBondContact O-N 2.78Å
390	L	95.6	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-82.1	-12.9	177.5	-68.2	178.5	0	0	0	114.6	T363 L386 T387 F388 G396 K397 A400 I427 L430 I431	T363-L390 HydrophobicContact CG2-CD2 4.27Å; L386-L390 HydrophobicContact CD1-CD1 4.07Å; L386-L390 HydrophobicContact CD1-CG 4.1Å; L386-L390 HydrophobicContact CG-CD1 4.02Å; L386-L390 HydrophobicContact CG-CG 4.42Å; L386-L390 WeakPolarHBondContact O-CB 3.44Å; L386-L390 VanDerWaalsContact O-CG 3.25Å; L386-L390 WeakPolarHBondContact O-CG 3.46Å; L386-L390 PolarHBondContact O-N 3.1Å; T387-L390 CarbonylContact O-C 3.6Å; T387-L390 PolarHBondContact O-N 3.3Å; F388-L390 VanDerWaalsContact C-N 3.28Å; F388-L390 PolarHBondContact O-N 2.79Å; L390-G396 VanDerWaalsContact CD2-C 3.46Å; L390-K397 HydrophobicContact CB-CG 4.41Å; L390-K397 HydrophobicContact CD2-CG 4.01Å; L390-K397 WeakPolarHBondContact O-CE 3.32Å; L390-A400 HydrophobicContact CD1-CB 4.32Å; L390-I427 HydrophobicContact CD1-CD1 4.35Å; L390-I427 HydrophobicContact CD1-CG1 4.48Å; L390-L430 HydrophobicContact CB-CD2 3.76Å; L390-I431 HydrophobicContact CD1-CD1 4.2Å; L390-I431 HydrophobicContact CD1-CG1 4.07Å
391	L	93.6	Very high	94.1	Very high	31 Å²	31	39.1 Å²	39.1	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-82	-42.8	167.9	-79.5	166.2	0	0	0	111	T387 F388 L430 L549 I551 Q598	T387-L391 HydrophobicContact CG2-CD1 4.16Å; T387-L391 WeakPolarHBondContact O-CG 3.44Å; T387-L391 PolarHBondContact O-N 3.22Å; F388-L391 WeakPolarHBondContact O-CB 3.43Å; F388-L391 PolarHBondContact O-N 3.33Å; F388-L391 VanDerWaalsContact O-N 3.09Å; L391-L430 HydrophobicContact CD2-CD1 3.59Å; L391-L430 HydrophobicContact CD2-CD2 4.31Å; L391-L430 HydrophobicContact CG-CD1 4.08Å; L391-L430 HydrophobicContact CG-CD2 3.87Å; L391-L549 HydrophobicContact CD1-CD1 4.12Å; L391-I551 HydrophobicContact CD1-CG2 4.23Å; L391-I551 HydrophobicContact CD2-CG2 4.1Å; L391-Q598 HydrophobicContact CD2-CB 3.99Å
392	E	91.9	Very high	93.9	Very high	102 Å²	102	40.4 Å²	40.4	48%	0.477	19%	0.194	S	C	.	.	H	α-helix	trans	-68.7	-41.2	176	-165.7	-176.3	179.9	0	0	111.7	F388 P394	F388-E392 WeakPolarHBondContact CE1-OE2 3.37Å; F388-E392 PolarHBondContact O-N 3.19Å; E392-P394 WeakPolarHBondContact O-CD 3.33Å
393	F	92.6	Very high	93.8	Very high	50 Å²	50	39 Å²	39	22%	0.219	19%	0.191	C	C	.	.			trans	-125.6	80.5	-178	-52.7	-70.4	0	0	0	112.5	I359 H389 E395 G396	I359-F393 HydrophobicContact CD1-CB 4.32Å; I359-F393 HydrophobicContact CD1-CD1 3.44Å; I359-F393 VanDerWaalsContact CD1-CD1 3.44Å; I359-F393 HydrophobicContact CD1-CE1 3.95Å; I359-F393 HydrophobicContact CD1-CG 3.96Å; I359-F393 HydrophobicContact CG1-CB 4.38Å; I359-F393 HydrophobicContact CG1-CD1 3.84Å; I359-F393 HydrophobicContact CG1-CD2 4.39Å; I359-F393 HydrophobicContact CG1-CE1 4.23Å; I359-F393 HydrophobicContact CG1-CG 3.93Å; I359-F393 HydrophobicContact CG2-CB 3.66Å; I359-F393 HydrophobicContact CG2-CG 4.1Å; H389-F393 AromaticContact CE1-CD2 3.72Å; H389-F393 AromaticContact ND1-CD2 3.77Å; H389-F393 PolarHBondContact O-N 2.78Å; F393-E395 PolarHBondContact O-N 3.03Å; F393-E395 VanDerWaalsContact O-N 3.11Å; F393-G396 PolarHBondContact O-N 3.42Å
394	P	90.2	Very high	93.6	Very high	62 Å²	62	45.9 Å²	45.9	40%	0.403	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.7	-178.6	-26.1	36	0	0	0	114.9	E392 G396 K397	E392-P394 WeakPolarHBondContact O-CD 3.33Å; P394-G396 PolarHBondContact O-N 3.23Å; P394-K397 WeakPolarHBondContact O-CB 3.5Å; P394-K397 VanDerWaalsContact O-CG 3.23Å; P394-K397 WeakPolarHBondContact O-CG 3.43Å; P394-K397 PolarHBondContact O-N 3.41Å
395	E	87.9	Confident	93.5	Very high	118 Å²	118	42.4 Å²	42.4	55%	0.551	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-32.5	175.3	-61.2	80.2	-178.6	0	0	112.1	F393 K397 G398	F393-E395 PolarHBondContact O-N 3.03Å; F393-E395 VanDerWaalsContact O-N 3.11Å; E395-K397 PolarHBondContact O-N 3.48Å; E395-K397 VanDerWaalsContact O-N 3.15Å; E395-G398 PolarHBondContact O-N 3.47Å
396	G	91.6	Very high	93.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-21.9	178.7	0	0	0	0	0	113.4	T363 L390 F393 P394 G398 V399 A400	T363-G396 WeakPolarHBondContact CG2-O 3.23Å; L390-G396 VanDerWaalsContact CD2-C 3.46Å; F393-G396 PolarHBondContact O-N 3.42Å; P394-G396 PolarHBondContact O-N 3.23Å; G396-G398 PolarHBondContact O-N 3.3Å; G396-V399 PolarHBondContact O-N 2.85Å; G396-A400 PolarHBondContact O-N 3.47Å
397	K	93.1	Very high	93.3	Very high	24 Å²	24	40 Å²	40	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-39	179.7	-64.2	175.1	-173.2	-169.9	0	111.8	L390 P394 E395 V399 A400 V401 L430 P587	L390-K397 HydrophobicContact CB-CG 4.41Å; L390-K397 HydrophobicContact CD2-CG 4.01Å; L390-K397 WeakPolarHBondContact O-CE 3.32Å; P394-K397 WeakPolarHBondContact O-CB 3.5Å; P394-K397 VanDerWaalsContact O-CG 3.23Å; P394-K397 WeakPolarHBondContact O-CG 3.43Å; P394-K397 PolarHBondContact O-N 3.41Å; E395-K397 PolarHBondContact O-N 3.48Å; E395-K397 VanDerWaalsContact O-N 3.15Å; K397-V399 VanDerWaalsContact C-N 3.33Å; K397-V399 PolarHBondContact O-N 3.23Å; K397-A400 PolarHBondContact O-N 3.06Å; K397-V401 WeakPolarHBondContact O-CG2 3.33Å; K397-V401 PolarHBondContact O-N 2.97Å; K397-L430 WeakPolarHBondContact CE-O 3.03Å; K397-L430 VanDerWaalsContact NZ-CD1 3.32Å; K397-L430 PolarHBondContact NZ-O 2.81Å; K397-P587 HydrophobicContact CB-CG 3.76Å
398	G	92.2	Very high	93.2	Very high	14 Å²	14	41.4 Å²	41.4	14%	0.144	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-37.9	176.2	0	0	0	0	0	112.9	E395 G396 K402	E395-G398 PolarHBondContact O-N 3.47Å; G396-G398 PolarHBondContact O-N 3.3Å; G398-K402 WeakPolarHBondContact O-CB 3.41Å; G398-K402 VanDerWaalsContact O-CG 3.22Å; G398-K402 WeakPolarHBondContact O-CG 3.49Å; G398-K402 PolarHBondContact O-N 2.78Å
399	V	93.7	Very high	93.2	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.097	17%	0.174	C	C	.	.	H	α-helix	trans	-71.9	-43.6	175.5	179.5	0	0	0	0	111.1	D360 T363 G396 K397 V401 K402 E403	D360-V399 HydrophobicContact CB-CG2 3.97Å; D360-V399 VanDerWaalsContact OD1-CG2 3.31Å; D360-V399 WeakPolarHBondContact OD1-CG2 3.38Å; T363-V399 HydrophobicContact CG2-CB 4.23Å; T363-V399 HydrophobicContact CG2-CG1 4.32Å; G396-V399 PolarHBondContact O-N 2.85Å; K397-V399 VanDerWaalsContact C-N 3.33Å; K397-V399 PolarHBondContact O-N 3.23Å; V399-V401 VanDerWaalsContact C-N 3.29Å; V399-V401 PolarHBondContact O-N 2.89Å; V399-K402 PolarHBondContact O-N 3.17Å; V399-K402 VanDerWaalsContact O-N 3.1Å; V399-E403 HydrophobicContact CG1-CG 4.22Å; V399-E403 WeakPolarHBondContact O-CB 3.39Å; V399-E403 WeakPolarHBondContact O-CG 3.14Å; V399-E403 PolarHBondContact O-N 2.87Å
400	A	94.4	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.7	-41.3	177.7	0	0	0	0	0	112	T363 V367 L390 G396 K397 R404 I405	T363-A400 HydrophobicContact CG2-CB 3.89Å; V367-A400 HydrophobicContact CG2-CB 4.2Å; L390-A400 HydrophobicContact CD1-CB 4.32Å; G396-A400 PolarHBondContact O-N 3.47Å; K397-A400 PolarHBondContact O-N 3.06Å; A400-R404 PolarHBondContact O-N 3.33Å; A400-I405 HydrophobicContact CB-CG2 3.95Å; A400-I405 WeakPolarHBondContact O-CB 3.47Å; A400-I405 WeakPolarHBondContact O-CG2 3.29Å; A400-I405 PolarHBondContact O-N 2.82Å; A400-I405 VanDerWaalsContact O-N 3.08Å
401	V	93.1	Very high	93.1	Very high	13 Å²	13	42.1 Å²	42.1	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-45.3	172.5	173.1	0	0	0	0	111.7	K397 V399 E403 R404 I406 I431 F586 P587 L782	K397-V401 WeakPolarHBondContact O-CG2 3.33Å; K397-V401 PolarHBondContact O-N 2.97Å; V399-V401 VanDerWaalsContact C-N 3.29Å; V399-V401 PolarHBondContact O-N 2.89Å; V401-E403 VanDerWaalsContact C-N 3.28Å; V401-E403 PolarHBondContact O-N 3.32Å; V401-R404 WeakPolarHBondContact O-CA 3.39Å; V401-R404 PolarHBondContact O-N 3.24Å; V401-I406 HydrophobicContact CG2-CD1 3.96Å; V401-I431 HydrophobicContact CG2-CG2 3.59Å; V401-F586 HydrophobicContact CG1-CE1 4.48Å; V401-F586 HydrophobicContact CG1-CE2 4.38Å; V401-F586 HydrophobicContact CG1-CZ 3.74Å; V401-F586 HydrophobicContact CG2-CE2 4.31Å; V401-F586 HydrophobicContact CG2-CZ 4.38Å; V401-P587 HydrophobicContact CG2-CG 4.08Å; V401-L782 HydrophobicContact CG1-CD1 4.3Å
402	K	91.6	Very high	93.1	Very high	94 Å²	94	41.6 Å²	41.6	41%	0.409	19%	0.192	S	C	.	.	H	α-helix	trans	-58.3	-38.7	176.1	-78.4	170.5	-179.6	179.5	0	112.4	G398 V399 R404 F778 L782	G398-K402 WeakPolarHBondContact O-CB 3.41Å; G398-K402 VanDerWaalsContact O-CG 3.22Å; G398-K402 WeakPolarHBondContact O-CG 3.49Å; G398-K402 PolarHBondContact O-N 2.78Å; V399-K402 PolarHBondContact O-N 3.17Å; V399-K402 VanDerWaalsContact O-N 3.1Å; K402-R404 PolarHBondContact O-N 3.04Å; K402-F778 HydrophobicContact CG-CE1 4.15Å; K402-L782 VanDerWaalsContact CE-O 3.32Å; K402-L782 WeakPolarHBondContact CE-O 3.34Å; K402-L782 PolarHBondContact NZ-O 3.16Å; K402-L782 PolarHBondContact NZ-OXT 3.5Å
403	E	92.3	Very high	93.1	Very high	47 Å²	47	38.4 Å²	38.4	22%	0.22	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-2.5	173.8	-67.9	-65.9	154.7	0	0	113.4	R364 V367 R371 V399 V401	R364-E403 WeakPolarHBondContact CD-OE1 3.09Å; R364-E403 HydrophobicContact CG-CG 4.25Å; R364-E403 WeakPolarHBondContact CG-OE1 3.36Å; R364-E403 IonicContact CZ-OE1 2.72Å; R364-E403 IonicContact NE-OE1 2.77Å; R364-E403 PolarHBondContact NE-OE1 2.91Å; R364-E403 IonicContact NH2-OE1 3.31Å; V367-E403 HydrophobicContact CG1-CB 3.82Å; R371-E403 PolarHBondContact NH1-O 2.62Å; R371-E403 PolarHBondContact NH2-O 3.1Å; V399-E403 HydrophobicContact CG1-CG 4.22Å; V399-E403 WeakPolarHBondContact O-CB 3.39Å; V399-E403 WeakPolarHBondContact O-CG 3.14Å; V399-E403 PolarHBondContact O-N 2.87Å; V401-E403 VanDerWaalsContact C-N 3.28Å; V401-E403 PolarHBondContact O-N 3.32Å
404	R	92.7	Very high	93.1	Very high	144 Å²	144	40.9 Å²	40.9	54%	0.543	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	46.6	-176.8	-51.6	-178.1	-179.3	-166.1	-0.6	114.7	R371 A400 V401 K402 F778	R371-R404 VanDerWaalsContact NH2-C 3.26Å; R371-R404 PolarHBondContact NH2-O 2.87Å; A400-R404 PolarHBondContact O-N 3.33Å; V401-R404 WeakPolarHBondContact O-CA 3.39Å; V401-R404 PolarHBondContact O-N 3.24Å; K402-R404 PolarHBondContact O-N 3.04Å; R404-F778 HydrophobicContact CG-CE2 4.38Å
405	I	94.6	Very high	93	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.185	C	C	.	.			trans	-66.7	-37.5	176.8	-168.1	54.3	0	0	0	113.4	V367 L370 L386 A400 Y408 L409 I431	V367-I405 HydrophobicContact CG1-CB 4.43Å; V367-I405 HydrophobicContact CG1-CD1 4.12Å; V367-I405 HydrophobicContact CG2-CB 4.31Å; V367-I405 HydrophobicContact CG2-CD1 4.26Å; V367-I405 HydrophobicContact CG2-CG1 4.3Å; L370-I405 HydrophobicContact CD2-CD1 3.84Å; L386-I405 HydrophobicContact CD2-CD1 4.25Å; L386-I405 HydrophobicContact CD2-CG1 4.12Å; A400-I405 HydrophobicContact CB-CG2 3.95Å; A400-I405 WeakPolarHBondContact O-CB 3.47Å; A400-I405 WeakPolarHBondContact O-CG2 3.29Å; A400-I405 PolarHBondContact O-N 2.82Å; A400-I405 VanDerWaalsContact O-N 3.08Å; I405-Y408 HydrophobicContact CD1-CD1 4.37Å; I405-Y408 WeakPolarHBondContact O-CA 3.36Å; I405-Y408 WeakPolarHBondContact O-CB 3.44Å; I405-Y408 PolarHBondContact O-N 3.43Å; I405-L409 HydrophobicContact CD1-CG 4.2Å; I405-L409 HydrophobicContact CG1-CD1 3.71Å; I405-L409 HydrophobicContact CG1-CG 3.9Å; I405-L409 HydrophobicContact CG2-CD1 4.36Å; I405-L409 PolarHBondContact O-N 3.09Å; I405-I431 HydrophobicContact CG2-CD1 3.8Å
406	I	95.3	Very high	93.1	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-58	-49.8	-173.2	-68.4	167.9	0	0	0	113	V401 Y408 L409 L410 L428 I431 Y433 F586 L776	V401-I406 HydrophobicContact CG2-CD1 3.96Å; I406-Y408 PolarHBondContact O-N 3.19Å; I406-Y408 VanDerWaalsContact O-N 3.12Å; I406-L409 PolarHBondContact O-N 3.05Å; I406-L410 HydrophobicContact CG2-CD1 3.81Å; I406-L410 HydrophobicContact CG2-CG 4.16Å; I406-L410 WeakPolarHBondContact O-CG 3.43Å; I406-L410 PolarHBondContact O-N 3.17Å; I406-L428 HydrophobicContact CG1-CD2 4.42Å; I406-L428 HydrophobicContact CG2-CD2 4.33Å; I406-I431 HydrophobicContact CD1-CG2 3.91Å; I406-I431 HydrophobicContact CG1-CG2 4.27Å; I406-Y433 HydrophobicContact CD1-CD2 4.43Å; I406-Y433 HydrophobicContact CG2-CD2 3.63Å; I406-Y433 HydrophobicContact CG2-CE2 3.97Å; I406-Y433 HydrophobicContact CG2-CG 4.25Å; I406-F586 HydrophobicContact CD1-CE2 3.7Å; I406-L776 HydrophobicContact CD1-CD1 3.71Å; I406-L776 HydrophobicContact CG2-CD1 4.49Å
407	P	95.1	Very high	93.1	Very high	14 Å²	14	46.9 Å²	46.9	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-22.8	175.8	-24.6	33.5	0	0	0	114.5	R411 D771	P407-R411 WeakPolarHBondContact O-CG 3.25Å; P407-R411 PolarHBondContact O-NE 3.18Å; P407-D771 WeakPolarHBondContact CG-O 3.49Å
408	Y	94.1	Very high	93.2	Very high	33 Å²	33	53 Å²	53	13%	0.129	24%	0.242	C	C	.	.	H	α-helix	trans	-80.6	-47.9	175	-172.8	-104.8	0	0	0	110.8	L370 R371 T373 I405 I406 L410 R411 L412	L370-Y408 HydrophobicContact CD1-CE1 4.1Å; L370-Y408 HydrophobicContact CG-CD1 4.25Å; L370-Y408 HydrophobicContact CG-CE1 3.87Å; L370-Y408 WeakPolarHBondContact O-CE1 3.5Å; L370-Y408 PolarHBondContact O-OH 2.78Å; L370-Y408 VanDerWaalsContact O-OH 3.05Å; R371-Y408 HydrophobicContact CG-CD1 4.2Å; R371-Y408 HydrophobicContact CG-CD2 4.22Å; R371-Y408 HydrophobicContact CG-CE1 4.33Å; R371-Y408 HydrophobicContact CG-CE2 4.36Å; R371-Y408 HydrophobicContact CG-CG 4.14Å; T373-Y408 PolarHBondContact O-OH 2.66Å; I405-Y408 HydrophobicContact CD1-CD1 4.37Å; I405-Y408 WeakPolarHBondContact O-CA 3.36Å; I405-Y408 WeakPolarHBondContact O-CB 3.44Å; I405-Y408 PolarHBondContact O-N 3.43Å; I406-Y408 PolarHBondContact O-N 3.19Å; I406-Y408 VanDerWaalsContact O-N 3.12Å; Y408-L410 VanDerWaalsContact C-N 3.35Å; Y408-L410 PolarHBondContact O-N 3.03Å; Y408-R411 WeakPolarHBondContact O-CB 3.49Å; Y408-R411 PolarHBondContact O-N 2.99Å; Y408-R411 VanDerWaalsContact O-N 3.12Å; Y408-L412 HydrophobicContact CD1-CD1 3.96Å; Y408-L412 HydrophobicContact CD1-CG 4.31Å; Y408-L412 HydrophobicContact CE1-CD1 3.59Å; Y408-L412 HydrophobicContact CE1-CD2 4.34Å; Y408-L412 HydrophobicContact CE1-CG 4.01Å; Y408-L412 PolarHBondContact O-N 2.89Å
409	L	95.8	Very high	93.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-43.8	174.2	-69.6	170.7	0	0	0	112.3	L370 V383 I405 I406 R411 L412 R413 V424 I427 L428 I431	L370-L409 HydrophobicContact CD2-CD2 4.44Å; V383-L409 HydrophobicContact CG2-CD2 4.28Å; I405-L409 HydrophobicContact CD1-CG 4.2Å; I405-L409 HydrophobicContact CG1-CD1 3.71Å; I405-L409 HydrophobicContact CG1-CG 3.9Å; I405-L409 HydrophobicContact CG2-CD1 4.36Å; I405-L409 PolarHBondContact O-N 3.09Å; I406-L409 PolarHBondContact O-N 3.05Å; L409-R411 PolarHBondContact O-N 2.83Å; L409-L412 PolarHBondContact O-N 3.27Å; L409-L412 VanDerWaalsContact O-N 3.16Å; L409-R413 PolarHBondContact O-N 3.32Å; L409-V424 HydrophobicContact CB-CG1 4.19Å; L409-V424 HydrophobicContact CD2-CG1 4.45Å; L409-V424 HydrophobicContact CD2-CG2 4.22Å; L409-V424 VanDerWaalsContact O-CG1 3.31Å; L409-V424 WeakPolarHBondContact O-CG1 3.24Å; L409-I427 HydrophobicContact CD1-CD1 4.42Å; L409-I427 HydrophobicContact CD1-CG1 4.39Å; L409-I427 HydrophobicContact CD1-CG2 3.76Å; L409-I427 HydrophobicContact CD2-CG2 3.67Å; L409-I427 HydrophobicContact CG-CG2 4.33Å; L409-L428 HydrophobicContact CB-CD1 4.47Å; L409-L428 HydrophobicContact CB-CD2 3.87Å; L409-L428 HydrophobicContact CB-CG 4.17Å; L409-L428 HydrophobicContact CD1-CD2 3.93Å; L409-L428 HydrophobicContact CD1-CG 4.27Å; L409-I431 HydrophobicContact CD1-CD1 4.14Å
410	L	95.6	Very high	93.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-31.4	177.6	-70.8	175.5	0	0	0	113.2	I406 Y408 Q414 L428 Y433 L768 D771 M772	I406-L410 HydrophobicContact CG2-CD1 3.81Å; I406-L410 HydrophobicContact CG2-CG 4.16Å; I406-L410 WeakPolarHBondContact O-CG 3.43Å; I406-L410 PolarHBondContact O-N 3.17Å; Y408-L410 VanDerWaalsContact C-N 3.35Å; Y408-L410 PolarHBondContact O-N 3.03Å; L410-Q414 PolarHBondContact O-NE2 3.49Å; L410-L428 HydrophobicContact CD2-CD1 3.99Å; L410-L428 HydrophobicContact CD2-CD2 4.5Å; L410-Y433 HydrophobicContact CD1-CE2 4.01Å; L410-Y433 HydrophobicContact CD2-CD1 4.39Å; L410-Y433 HydrophobicContact CD2-CE1 3.72Å; L410-L768 HydrophobicContact CD2-CD1 4.17Å; L410-D771 HydrophobicContact CD1-CB 3.88Å; L410-M772 HydrophobicContact CB-CB 4.18Å; L410-M772 HydrophobicContact CB-CG 3.94Å; L410-M772 HydrophobicContact CD1-CB 4.46Å
411	R	93.1	Very high	93.4	Very high	119 Å²	119	58.1 Å²	58.1	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-74.1	-44	172.2	-73.6	-179	-74.1	158.9	-4	111.9	P407 Y408 L409 R413 Q414 M772	P407-R411 WeakPolarHBondContact O-CG 3.25Å; P407-R411 PolarHBondContact O-NE 3.18Å; Y408-R411 WeakPolarHBondContact O-CB 3.49Å; Y408-R411 PolarHBondContact O-N 2.99Å; Y408-R411 VanDerWaalsContact O-N 3.12Å; L409-R411 PolarHBondContact O-N 2.83Å; R411-R413 PolarHBondContact O-N 3.43Å; R411-Q414 WeakPolarHBondContact O-CB 3.49Å; R411-Q414 PolarHBondContact O-N 3.14Å; R411-M772 HydrophobicContact CG-CG 3.44Å; R411-M772 VanDerWaalsContact CG-CG 3.44Å; R411-M772 HydrophobicContact CG-SD 3.85Å
412	L	93.4	Very high	93.6	Very high	20 Å²	20	58.2 Å²	58.2	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-33.1	173	-67.8	-178.6	0	0	0	112	L370 V383 Y408 L409 Q414 T415 V424	L370-L412 HydrophobicContact CD1-CD1 4.15Å; V383-L412 HydrophobicContact CG2-CD1 4.45Å; Y408-L412 HydrophobicContact CD1-CD1 3.96Å; Y408-L412 HydrophobicContact CD1-CG 4.31Å; Y408-L412 HydrophobicContact CE1-CD1 3.59Å; Y408-L412 HydrophobicContact CE1-CD2 4.34Å; Y408-L412 HydrophobicContact CE1-CG 4.01Å; Y408-L412 PolarHBondContact O-N 2.89Å; L409-L412 PolarHBondContact O-N 3.27Å; L409-L412 VanDerWaalsContact O-N 3.16Å; L412-Q414 PolarHBondContact O-N 3.44Å; L412-T415 VanDerWaalsContact O-CB 3.27Å; L412-T415 WeakPolarHBondContact O-CB 3.45Å; L412-T415 PolarHBondContact O-N 2.84Å; L412-T415 VanDerWaalsContact O-N 3.11Å; L412-T415 PolarHBondContact O-OG1 3.15Å; L412-T415 VanDerWaalsContact O-OG1 3.09Å; L412-V424 HydrophobicContact CB-CG2 3.98Å; L412-V424 HydrophobicContact CD1-CG2 4.46Å
413	R	93.6	Very high	93.8	Very high	34 Å²	34	53.8 Å²	53.8	13%	0.128	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.5	174.5	-159.3	168.9	68.9	163.6	4.3	114.1	L409 R411 V424 D435	L409-R413 PolarHBondContact O-N 3.32Å; R411-R413 PolarHBondContact O-N 3.43Å; R413-V424 HydrophobicContact CB-CG1 3.82Å; R413-V424 HydrophobicContact CG-CG1 4.23Å; R413-D435 IonicContact CZ-OD1 2.77Å; R413-D435 VanDerWaalsContact CZ-OD1 3.3Å; R413-D435 IonicContact CZ-OD2 3.75Å; R413-D435 IonicContact NH1-OD1 3.15Å; R413-D435 PolarHBondContact NH1-OD1 3.29Å; R413-D435 IonicContact NH1-OD2 3.86Å; R413-D435 PolarHBondContact NH1-OD2 2.67Å; R413-D435 IonicContact NH2-OD1 3.67Å; R413-D435 PolarHBondContact NH2-OD1 3.44Å; R413-D435 IonicContact NH2-OD2 2.89Å
414	Q	91.3	Very high	94.1	Very high	102 Å²	102	51.5 Å²	51.5	48%	0.477	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.5	175.2	-52	-56.3	-69.5	0	0	113	L410 R411 L412 M772	L410-Q414 PolarHBondContact O-NE2 3.49Å; R411-Q414 WeakPolarHBondContact O-CB 3.49Å; R411-Q414 PolarHBondContact O-N 3.14Å; L412-Q414 PolarHBondContact O-N 3.44Å; Q414-M772 HydrophobicContact CG-SD 3.98Å
415	T	89.5	Confident	94.3	Very high	55 Å²	55	46.7 Å²	46.7	34%	0.337	22%	0.221	S	C	.	.	S	Bend	trans	-67.4	146.9	176.2	-54	0	0	0	0	110.3	L412 D417 L420 Q421	L412-T415 VanDerWaalsContact O-CB 3.27Å; L412-T415 WeakPolarHBondContact O-CB 3.45Å; L412-T415 PolarHBondContact O-N 2.84Å; L412-T415 VanDerWaalsContact O-N 3.11Å; L412-T415 PolarHBondContact O-OG1 3.15Å; L412-T415 VanDerWaalsContact O-OG1 3.09Å; T415-D417 HydrophobicContact CG2-CB 4.26Å; T415-D417 PolarHBondContact O-N 3.18Å; T415-L420 HydrophobicContact CG2-CD2 4.3Å; T415-Q421 PolarHBondContact O-NE2 3.42Å
416	K	88.7	Confident	94.4	Very high	205 Å²	205	47 Å²	47	89%	0.891	22%	0.223	S	C	*	.	S	Bend	trans	-71.9	-3.8	-178.6	-66.9	-174.4	177.1	-176.5	0	115.3	E418	K416-E418 PolarHBondContact O-N 3.37Å
417	D	92.8	Very high	94.5	Very high	47 Å²	47	46.9 Å²	46.9	25%	0.251	22%	0.222	S	C	.	.			trans	-82	110.3	-179	-178.6	-20.8	0	0	0	110.8	T415 T419 L420 Q421	T415-D417 HydrophobicContact CG2-CB 4.26Å; T415-D417 PolarHBondContact O-N 3.18Å; D417-T419 VanDerWaalsContact C-N 3.28Å; D417-T419 PolarHBondContact O-N 3.38Å; D417-T419 WeakPolarHBondContact OD1-CA 3.3Å; D417-T419 WeakPolarHBondContact OD1-CB 3.43Å; D417-T419 PolarHBondContact OD1-N 2.96Å; D417-T419 PolarHBondContact OD1-OG1 3.45Å; D417-L420 HydrophobicContact CB-CB 3.98Å; D417-L420 PolarHBondContact O-N 3.35Å; D417-L420 PolarHBondContact OD1-N 2.85Å; D417-L420 VanDerWaalsContact OD1-N 3.15Å; D417-Q421 VanDerWaalsContact O-CG 3.31Å; D417-Q421 WeakPolarHBondContact O-CG 3.4Å; D417-Q421 PolarHBondContact O-N 3.13Å
418	E	94	Very high	94.6	Very high	153 Å²	153	46.4 Å²	46.4	72%	0.715	22%	0.218	S	C	*	.	H	α-helix	trans	-62.3	-32.4	-179.1	-60.8	-171.1	161.3	0	0	113.4	K416 Q421 A422	K416-E418 PolarHBondContact O-N 3.37Å; E418-Q421 PolarHBondContact O-N 2.83Å; E418-A422 WeakPolarHBondContact O-CB 3.47Å; E418-A422 PolarHBondContact O-N 2.89Å
419	T	94.9	Very high	94.8	Very high	83 Å²	83	45 Å²	45	51%	0.509	21%	0.214	S	C	.	.	H	α-helix	trans	-74.2	-41.8	-178.5	67.2	0	0	0	0	111.1	I380 D417 A422 A423	I380-T419 WeakPolarHBondContact CD1-OG1 3.22Å; D417-T419 VanDerWaalsContact C-N 3.28Å; D417-T419 PolarHBondContact O-N 3.38Å; D417-T419 WeakPolarHBondContact OD1-CA 3.3Å; D417-T419 WeakPolarHBondContact OD1-CB 3.43Å; D417-T419 PolarHBondContact OD1-N 2.96Å; D417-T419 PolarHBondContact OD1-OG1 3.45Å; T419-A422 WeakPolarHBondContact O-CB 3.4Å; T419-A422 PolarHBondContact O-N 3.37Å; T419-A423 PolarHBondContact O-N 3.46Å; T419-A423 VanDerWaalsContact O-N 3.08Å
420	L	95.1	Very high	94.8	Very high	3 Å²	3	45 Å²	45	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-44.9	170	179.3	61.1	0	0	0	111.2	C379 I380 V383 T415 D417 A422 A423 V424	C379-L420 HydrophobicContact CB-CD1 4.11Å; I380-L420 HydrophobicContact CD1-CB 4.36Å; I380-L420 HydrophobicContact CG1-CB 3.84Å; I380-L420 HydrophobicContact CG1-CD1 3.93Å; I380-L420 HydrophobicContact CG1-CG 4.46Å; V383-L420 HydrophobicContact CG2-CD1 4.46Å; T415-L420 HydrophobicContact CG2-CD2 4.3Å; D417-L420 HydrophobicContact CB-CB 3.98Å; D417-L420 PolarHBondContact O-N 3.35Å; D417-L420 PolarHBondContact OD1-N 2.85Å; D417-L420 VanDerWaalsContact OD1-N 3.15Å; L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.3Å; L420-A423 PolarHBondContact O-N 3.46Å; L420-V424 HydrophobicContact CD1-CG2 4.06Å; L420-V424 HydrophobicContact CG-CG2 4.35Å; L420-V424 VanDerWaalsContact O-CB 3.29Å; L420-V424 WeakPolarHBondContact O-CB 3.31Å; L420-V424 WeakPolarHBondContact O-CG2 3.46Å; L420-V424 PolarHBondContact O-N 3.42Å
421	Q	95.6	Very high	94.8	Very high	51 Å²	51	45 Å²	45	24%	0.238	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-39.1	175.3	-72	179.7	17.7	0	0	112.2	T415 D417 E418 V424 R425	T415-Q421 PolarHBondContact O-NE2 3.42Å; D417-Q421 VanDerWaalsContact O-CG 3.31Å; D417-Q421 WeakPolarHBondContact O-CG 3.4Å; D417-Q421 PolarHBondContact O-N 3.13Å; E418-Q421 PolarHBondContact O-N 2.83Å; Q421-V424 PolarHBondContact O-N 2.9Å; Q421-R425 WeakPolarHBondContact O-CG 3.24Å; Q421-R425 PolarHBondContact O-N 3.22Å
422	A	96.4	Very high	94.8	Very high	15 Å²	15	39.7 Å²	39.7	12%	0.124	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-53.2	177.7	0	0	0	0	0	111.7	E418 T419 L420 V424 R425 E426 R555	E418-A422 WeakPolarHBondContact O-CB 3.47Å; E418-A422 PolarHBondContact O-N 2.89Å; T419-A422 WeakPolarHBondContact O-CB 3.4Å; T419-A422 PolarHBondContact O-N 3.37Å; L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.3Å; A422-V424 VanDerWaalsContact C-N 3.26Å; A422-V424 PolarHBondContact O-N 3.37Å; A422-R425 PolarHBondContact O-N 3.13Å; A422-R425 VanDerWaalsContact O-N 3.13Å; A422-E426 PolarHBondContact O-N 2.55Å; A422-R555 HydrophobicContact CB-CB 3.98Å; A422-R555 HydrophobicContact CB-CG 4.16Å
423	A	96.8	Very high	94.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-38	176	0	0	0	0	0	112	V383 E384 T419 L420 E426 I427	V383-A423 HydrophobicContact CB-CB 4.44Å; V383-A423 HydrophobicContact CG1-CB 3.87Å; V383-A423 WeakPolarHBondContact CG1-O 3.4Å; E384-A423 HydrophobicContact CG-CB 4.26Å; T419-A423 PolarHBondContact O-N 3.46Å; T419-A423 VanDerWaalsContact O-N 3.08Å; L420-A423 PolarHBondContact O-N 3.46Å; A423-E426 PolarHBondContact O-N 3.3Å; A423-I427 PolarHBondContact O-N 3.27Å; A423-I427 VanDerWaalsContact O-N 3.13Å
424	V	97.1	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-38	175.6	168.4	0	0	0	0	112.5	V383 L409 L412 R413 L420 Q421 A422 I427 L428	V383-V424 HydrophobicContact CG2-CG2 4.25Å; L409-V424 HydrophobicContact CB-CG1 4.19Å; L409-V424 HydrophobicContact CD2-CG1 4.45Å; L409-V424 HydrophobicContact CD2-CG2 4.22Å; L409-V424 VanDerWaalsContact O-CG1 3.31Å; L409-V424 WeakPolarHBondContact O-CG1 3.24Å; L412-V424 HydrophobicContact CB-CG2 3.98Å; L412-V424 HydrophobicContact CD1-CG2 4.46Å; R413-V424 HydrophobicContact CB-CG1 3.82Å; R413-V424 HydrophobicContact CG-CG1 4.23Å; L420-V424 HydrophobicContact CD1-CG2 4.06Å; L420-V424 HydrophobicContact CG-CG2 4.35Å; L420-V424 VanDerWaalsContact O-CB 3.29Å; L420-V424 WeakPolarHBondContact O-CB 3.31Å; L420-V424 WeakPolarHBondContact O-CG2 3.46Å; L420-V424 PolarHBondContact O-N 3.42Å; Q421-V424 PolarHBondContact O-N 2.9Å; A422-V424 VanDerWaalsContact C-N 3.26Å; A422-V424 PolarHBondContact O-N 3.37Å; V424-I427 VanDerWaalsContact O-CG2 3.32Å; V424-I427 WeakPolarHBondContact O-CG2 3.39Å; V424-L428 HydrophobicContact CG1-CD1 3.83Å; V424-L428 HydrophobicContact CG1-CG 4.41Å; V424-L428 WeakPolarHBondContact O-CB 3.34Å; V424-L428 WeakPolarHBondContact O-CD1 3.44Å; V424-L428 WeakPolarHBondContact O-CG 3.47Å; V424-L428 PolarHBondContact O-N 3.11Å; V424-L428 VanDerWaalsContact O-N 3.09Å
425	R	97.3	Very high	94.9	Very high	42 Å²	42	37.6 Å²	37.6	16%	0.158	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-41.2	174.2	-75.1	-177.1	-68.4	-97.2	0.8	111.6	Q421 A422 L428 A429 A554 R555	Q421-R425 WeakPolarHBondContact O-CG 3.24Å; Q421-R425 PolarHBondContact O-N 3.22Å; A422-R425 PolarHBondContact O-N 3.13Å; A422-R425 VanDerWaalsContact O-N 3.13Å; R425-L428 PolarHBondContact O-N 3.1Å; R425-A429 WeakPolarHBondContact O-CB 3.47Å; R425-A429 PolarHBondContact O-N 3.02Å; R425-A554 VanDerWaalsContact CB-O 3.24Å; R425-A554 WeakPolarHBondContact CB-O 3.4Å; R425-R555 VanDerWaalsContact CZ-O 3.27Å; R425-R555 PolarHBondContact NE-O 3.01Å; R425-R555 PolarHBondContact NH2-O 3.49Å
426	E	97.4	Very high	95	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-59.7	-53.4	176.8	-172.3	-171.8	162.9	0	0	111.9	T387 A422 A423 L428 A429 L430 I551 R555	T387-E426 HydrophobicContact CG2-CG 4.26Å; T387-E426 WeakPolarHBondContact CG2-OE1 3.48Å; A422-E426 PolarHBondContact O-N 2.55Å; A423-E426 PolarHBondContact O-N 3.3Å; E426-L428 PolarHBondContact O-N 3.11Å; E426-A429 PolarHBondContact O-N 2.92Å; E426-L430 WeakPolarHBondContact O-CB 3.5Å; E426-L430 PolarHBondContact O-N 3.11Å; E426-I551 HydrophobicContact CG-CG1 4.12Å; E426-I551 HydrophobicContact CG-CG2 4.49Å; E426-R555 HydrophobicContact CB-CG 4.06Å; E426-R555 IonicContact OE2-CZ 2.9Å; E426-R555 IonicContact OE2-NE 3.8Å; E426-R555 PolarHBondContact OE2-NE 3.42Å; E426-R555 IonicContact OE2-NH2 2.72Å; E426-R555 PolarHBondContact OE2-NH2 3.07Å
427	I	97.6	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.2	-35.2	-179.3	-169	171.2	0	0	0	112.8	V383 L386 T387 L390 L409 A423 V424 L430 I431	V383-I427 HydrophobicContact CG1-CB 4.27Å; V383-I427 HydrophobicContact CG1-CG2 3.81Å; L386-I427 HydrophobicContact CB-CD1 4.05Å; L386-I427 HydrophobicContact CD2-CD1 3.64Å; L386-I427 HydrophobicContact CG-CD1 3.68Å; T387-I427 WeakPolarHBondContact OG1-CB 3.4Å; L390-I427 HydrophobicContact CD1-CD1 4.35Å; L390-I427 HydrophobicContact CD1-CG1 4.48Å; L409-I427 HydrophobicContact CD1-CD1 4.42Å; L409-I427 HydrophobicContact CD1-CG1 4.39Å; L409-I427 HydrophobicContact CD1-CG2 3.76Å; L409-I427 HydrophobicContact CD2-CG2 3.67Å; L409-I427 HydrophobicContact CG-CG2 4.33Å; A423-I427 PolarHBondContact O-N 3.27Å; A423-I427 VanDerWaalsContact O-N 3.13Å; V424-I427 VanDerWaalsContact O-CG2 3.32Å; V424-I427 WeakPolarHBondContact O-CG2 3.39Å; I427-L430 PolarHBondContact O-N 3.45Å; I427-I431 HydrophobicContact CD1-CD1 4.41Å; I427-I431 HydrophobicContact CG1-CD1 3.87Å; I427-I431 HydrophobicContact CG1-CG1 4.36Å; I427-I431 WeakPolarHBondContact O-CB 3.39Å; I427-I431 VanDerWaalsContact O-CG1 3.3Å; I427-I431 WeakPolarHBondContact O-CG1 3.39Å; I427-I431 PolarHBondContact O-N 2.96Å
428	L	97.3	Very high	95.2	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-45.5	173.9	-75.8	170.3	0	0	0	110.7	I406 L409 L410 V424 R425 E426 L430 I431 G432 Y433	I406-L428 HydrophobicContact CG1-CD2 4.42Å; I406-L428 HydrophobicContact CG2-CD2 4.33Å; L409-L428 HydrophobicContact CB-CD1 4.47Å; L409-L428 HydrophobicContact CB-CD2 3.87Å; L409-L428 HydrophobicContact CB-CG 4.17Å; L409-L428 HydrophobicContact CD1-CD2 3.93Å; L409-L428 HydrophobicContact CD1-CG 4.27Å; L410-L428 HydrophobicContact CD2-CD1 3.99Å; L410-L428 HydrophobicContact CD2-CD2 4.5Å; V424-L428 HydrophobicContact CG1-CD1 3.83Å; V424-L428 HydrophobicContact CG1-CG 4.41Å; V424-L428 WeakPolarHBondContact O-CB 3.34Å; V424-L428 WeakPolarHBondContact O-CD1 3.44Å; V424-L428 WeakPolarHBondContact O-CG 3.47Å; V424-L428 PolarHBondContact O-N 3.11Å; V424-L428 VanDerWaalsContact O-N 3.09Å; R425-L428 PolarHBondContact O-N 3.1Å; E426-L428 PolarHBondContact O-N 3.11Å; L428-L430 VanDerWaalsContact C-N 3.33Å; L428-L430 PolarHBondContact O-N 2.92Å; L428-I431 PolarHBondContact O-N 3.39Å; L428-G432 PolarHBondContact O-N 3.34Å; L428-G432 VanDerWaalsContact O-N 3.09Å; L428-Y433 HydrophobicContact CB-CD1 4.36Å; L428-Y433 HydrophobicContact CD2-CD1 4.06Å; L428-Y433 HydrophobicContact CD2-CG 4.05Å; L428-Y433 PolarHBondContact O-N 2.74Å
429	A	96.8	Very high	95.1	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.033	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-38.1	174.3	0	0	0	0	0	112.2	R425 E426 G432 I551 A554 G584	R425-A429 WeakPolarHBondContact O-CB 3.47Å; R425-A429 PolarHBondContact O-N 3.02Å; E426-A429 PolarHBondContact O-N 2.92Å; A429-G432 PolarHBondContact O-N 3.29Å; A429-G432 VanDerWaalsContact O-N 3.1Å; A429-I551 HydrophobicContact CB-CD1 4.01Å; A429-A554 HydrophobicContact CB-CB 3.57Å; A429-G584 PolarHBondContact O-N 3.06Å
430	L	96.4	Very high	95	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-40.6	178.5	176.5	62.5	0	0	0	112.5	T387 L390 L391 K397 E426 I427 L428 G432 I551 C597	T387-L430 HydrophobicContact CG2-CD2 3.82Å; T387-L430 WeakPolarHBondContact O-CD2 3.48Å; L390-L430 HydrophobicContact CB-CD2 3.76Å; L391-L430 HydrophobicContact CD2-CD1 3.59Å; L391-L430 HydrophobicContact CD2-CD2 4.31Å; L391-L430 HydrophobicContact CG-CD1 4.08Å; L391-L430 HydrophobicContact CG-CD2 3.87Å; K397-L430 WeakPolarHBondContact CE-O 3.03Å; K397-L430 VanDerWaalsContact NZ-CD1 3.32Å; K397-L430 PolarHBondContact NZ-O 2.81Å; E426-L430 WeakPolarHBondContact O-CB 3.5Å; E426-L430 PolarHBondContact O-N 3.11Å; I427-L430 PolarHBondContact O-N 3.45Å; L428-L430 VanDerWaalsContact C-N 3.33Å; L428-L430 PolarHBondContact O-N 2.92Å; L430-G432 PolarHBondContact O-N 3.43Å; L430-I551 HydrophobicContact CB-CD1 4.19Å; L430-I551 HydrophobicContact CB-CG1 4.07Å; L430-I551 HydrophobicContact CD1-CG1 4.36Å; L430-C597 VanDerWaalsContact CD1-SG 3.57Å
431	I	95.2	Very high	95	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.3	-15.5	173.8	-67.1	168.8	0	0	0	111	L390 V401 I405 I406 L409 I427 L428 P587	L390-I431 HydrophobicContact CD1-CD1 4.2Å; L390-I431 HydrophobicContact CD1-CG1 4.07Å; V401-I431 HydrophobicContact CG2-CG2 3.59Å; I405-I431 HydrophobicContact CG2-CD1 3.8Å; I406-I431 HydrophobicContact CD1-CG2 3.91Å; I406-I431 HydrophobicContact CG1-CG2 4.27Å; L409-I431 HydrophobicContact CD1-CD1 4.14Å; I427-I431 HydrophobicContact CD1-CD1 4.41Å; I427-I431 HydrophobicContact CG1-CD1 3.87Å; I427-I431 HydrophobicContact CG1-CG1 4.36Å; I427-I431 WeakPolarHBondContact O-CB 3.39Å; I427-I431 VanDerWaalsContact O-CG1 3.3Å; I427-I431 WeakPolarHBondContact O-CG1 3.39Å; I427-I431 PolarHBondContact O-N 2.96Å; L428-I431 PolarHBondContact O-N 3.39Å; I431-P587 WeakPolarHBondContact O-CD 3.33Å
432	G	93.9	Very high	95.1	Very high	7 Å²	7	21.3 Å²	21.3	7%	0.072	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	22.7	-177.6	0	0	0	0	0	113.7	L428 A429 L430 G584	L428-G432 PolarHBondContact O-N 3.34Å; L428-G432 VanDerWaalsContact O-N 3.09Å; A429-G432 PolarHBondContact O-N 3.29Å; A429-G432 VanDerWaalsContact O-N 3.1Å; L430-G432 PolarHBondContact O-N 3.43Å; G432-G584 VanDerWaalsContact CA-O 3.24Å; G432-G584 WeakPolarHBondContact CA-O 3.34Å
433	Y	94.1	Very high	95.2	Very high	16 Å²	16	21.1 Å²	21.1	6%	0.063	10%	0.102	C	C	.	.			trans	-75.7	126.1	160.9	179.8	-83.9	0	0	0	108.5	I406 L410 L428 D771 L776	I406-Y433 HydrophobicContact CD1-CD2 4.43Å; I406-Y433 HydrophobicContact CG2-CD2 3.63Å; I406-Y433 HydrophobicContact CG2-CE2 3.97Å; I406-Y433 HydrophobicContact CG2-CG 4.25Å; L410-Y433 HydrophobicContact CD1-CE2 4.01Å; L410-Y433 HydrophobicContact CD2-CD1 4.39Å; L410-Y433 HydrophobicContact CD2-CE1 3.72Å; L428-Y433 HydrophobicContact CB-CD1 4.36Å; L428-Y433 HydrophobicContact CD2-CD1 4.06Å; L428-Y433 HydrophobicContact CD2-CG 4.05Å; L428-Y433 PolarHBondContact O-N 2.74Å; Y433-D771 HydrophobicContact CE2-CB 4.38Å; Y433-L776 HydrophobicContact CD2-CD1 4.46Å
434	V	92.5	Very high	95.3	Very high	27 Å²	27	21.1 Å²	21.1	16%	0.164	10%	0.102	C	C	.	.			trans	-118.1	138.8	177.5	-66.7	0	0	0	0	110.9	L646 W647	V434-L646 HydrophobicContact CG1-CB 4.36Å; V434-L646 HydrophobicContact CG1-CD2 3.89Å; V434-L646 VanDerWaalsContact CG2-O 3.25Å; V434-L646 WeakPolarHBondContact CG2-O 3.48Å; V434-W647 HydrophobicContact CG2-CG 4.36Å
435	D	92.7	Very high	95.4	Very high	68 Å²	68	21.2 Å²	21.2	36%	0.364	10%	0.102	S	C	.	.	P	Polyproline II helix	trans	-69.8	158.5	167.8	-67.9	-60.6	0	0	0	110.8	R413 W647	R413-D435 IonicContact CZ-OD1 2.77Å; R413-D435 VanDerWaalsContact CZ-OD1 3.3Å; R413-D435 IonicContact CZ-OD2 3.75Å; R413-D435 IonicContact NH1-OD1 3.15Å; R413-D435 PolarHBondContact NH1-OD1 3.29Å; R413-D435 IonicContact NH1-OD2 3.86Å; R413-D435 PolarHBondContact NH1-OD2 2.67Å; R413-D435 IonicContact NH2-OD1 3.67Å; R413-D435 PolarHBondContact NH2-OD1 3.44Å; R413-D435 IonicContact NH2-OD2 2.89Å; D435-W647 PolarHBondContact O-NE1 3.39Å
436	P	93.4	Very high	95.4	Very high	49 Å²	49	19.2 Å²	19.2	32%	0.318	10%	0.095	S	C	.	.	P	Polyproline II helix	trans	-55.6	140.1	171.3	-25.2	35.6	0	0	0	111.9	D764	P436-D764 HydrophobicContact CB-CB 4.36Å; P436-D764 WeakPolarHBondContact CB-OD1 3.48Å; P436-D764 HydrophobicContact CG-CB 4.03Å
437	V	95	Very high	95.5	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-48.3	154.3	172.6	-65.1	0	0	0	0	112.2	G441 I442 D477 W647 V650 K756	V437-G441 WeakPolarHBondContact CG2-O 3.38Å; V437-I442 HydrophobicContact CG1-CB 4.41Å; V437-I442 HydrophobicContact CG1-CG1 3.99Å; V437-D477 HydrophobicContact CB-CB 4.39Å; V437-D477 HydrophobicContact CG1-CB 4.23Å; V437-W647 HydrophobicContact CG1-CD2 3.77Å; V437-W647 HydrophobicContact CG1-CE3 4.22Å; V437-W647 HydrophobicContact CG1-CG 4.08Å; V437-W647 HydrophobicContact CG1-CH2 4.46Å; V437-W647 HydrophobicContact CG1-CZ2 4.05Å; V437-V650 HydrophobicContact CG1-CG1 4.49Å; V437-V650 HydrophobicContact CG2-CG1 3.91Å; V437-K756 WeakPolarHBondContact O-CE 3.31Å; V437-K756 PolarHBondContact O-NZ 3.33Å
438	K	90.3	Very high	95.5	Very high	90 Å²	90	18.8 Å²	18.8	39%	0.391	9%	0.093	S	C	.	.	S	Bend	trans	-76.1	-32.9	-177.9	-54.7	164.2	-176.1	171.6	0	111.9	H473 D477 T558	K438-H473 PolarHBondContact NZ-O 3.31Å; K438-D477 WeakPolarHBondContact CB-OD1 3.44Å; K438-D477 WeakPolarHBondContact CG-OD1 3.48Å; K438-D477 PolarHBondContact N-OD1 2.66Å; K438-T558 PolarHBondContact NZ-O 3.48Å
439	G	91	Very high	95.4	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.01	9%	0.092	C	C	.	.	S	Bend	trans	-83.5	-167.5	-179.2	0	0	0	0	0	115.5	G441 K756	G439-G441 VanDerWaalsContact C-N 3.32Å; G439-K756 WeakPolarHBondContact O-CE 3.45Å; G439-K756 WeakPolarHBondContact O-CG 3.33Å
440	R	93.4	Very high	95	Very high	105 Å²	105	18.8 Å²	18.8	40%	0.396	9%	0.094	S	C	.	.	S	Bend	trans	-76.4	-24	173.8	-61.9	176.4	170.6	-171.9	-6	112	E653 Q754 E755 Q760	R440-E653 WeakPolarHBondContact CB-OE1 3.48Å; R440-E653 PolarHBondContact N-OE2 3.12Å; R440-Q754 HydrophobicContact CG-CB 4.42Å; R440-Q754 VanDerWaalsContact CZ-OE1 3.31Å; R440-E755 WeakPolarHBondContact CG-O 3.18Å; R440-E755 PolarHBondContact NE-O 3.26Å; R440-E755 PolarHBondContact NH2-O 3.02Å; R440-Q760 PolarHBondContact O-NE2 3.19Å
441	G	95.7	Very high	94.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	10%	0.099	C	C	.	.	S	Bend	trans	-145.9	-163.5	168.9	0	0	0	0	0	110.8	V437 G439 P651 E653	V437-G441 WeakPolarHBondContact CG2-O 3.38Å; G439-G441 VanDerWaalsContact C-N 3.32Å; G441-P651 CarbonylContact C-O 3.51Å; G441-P651 VanDerWaalsContact CA-O 3.31Å; G441-P651 WeakPolarHBondContact CA-O 3.37Å; G441-E653 PolarHBondContact N-OE2 3.14Å
442	I	97.7	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.1	-179.5	-49	165.2	0	0	0	109.4	V437 I444 C643 W647 V650 P651 L652 E653 C654	V437-I442 HydrophobicContact CG1-CB 4.41Å; V437-I442 HydrophobicContact CG1-CG1 3.99Å; I442-I444 HydrophobicContact CG2-CD1 4.32Å; I442-I444 HydrophobicContact CG2-CG1 3.89Å; I442-C643 HydrophobicContact CD1-CB 4.23Å; I442-C643 HydrophobicContact CG2-CB 3.99Å; I442-W647 HydrophobicContact CD1-CB 3.92Å; I442-W647 HydrophobicContact CD1-CE3 4.37Å; I442-W647 HydrophobicContact CG1-CB 4.27Å; I442-W647 HydrophobicContact CG1-CE3 4.32Å; I442-W647 HydrophobicContact CG2-CE3 4.12Å; I442-W647 HydrophobicContact CG2-CZ3 4.21Å; I442-V650 HydrophobicContact CD1-CB 4.19Å; I442-V650 HydrophobicContact CD1-CG1 4.47Å; I442-V650 HydrophobicContact CG1-CB 3.99Å; I442-V650 HydrophobicContact CG1-CG1 3.77Å; I442-P651 PolarHBondContact N-O 3.35Å; I442-L652 HydrophobicContact CB-CD2 4.24Å; I442-L652 HydrophobicContact CD1-CD2 4.29Å; I442-E653 PolarHBondContact O-N 2.94Å; I442-C654 PolarHBondContact O-N 2.8Å
443	R	98.3	Very high	94.2	Very high	12 Å²	12	21.2 Å²	21.2	5%	0.045	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.9	175.1	-58.3	163.9	-59.7	146.7	22.8	109.7	Q474 L475 F476 D477 Y478 E653 C654 L752	R443-Q474 PolarHBondContact NH2-O 3.12Å; R443-L475 PolarHBondContact NE-O 3.15Å; R443-L475 PolarHBondContact NH1-O 2.8Å; R443-L475 PolarHBondContact NH2-O 2.83Å; R443-F476 HydrophobicContact CB-CD1 4.39Å; R443-D477 WeakPolarHBondContact CB-OD2 3.43Å; R443-D477 IonicContact CZ-OD2 2.67Å; R443-D477 PolarHBondContact N-OD2 3.23Å; R443-D477 VanDerWaalsContact N-OD2 3.17Å; R443-D477 IonicContact NE-OD2 3.24Å; R443-D477 PolarHBondContact NE-OD2 2.64Å; R443-D477 IonicContact NH2-OD1 3.78Å; R443-D477 PolarHBondContact NH2-OD1 3.37Å; R443-D477 VanDerWaalsContact NH2-OD1 3.12Å; R443-D477 IonicContact NH2-OD2 2.91Å; R443-D477 PolarHBondContact NH2-OD2 2.78Å; R443-D477 VanDerWaalsContact NH2-OD2 3.16Å; R443-D477 PolarHBondContact O-N 2.64Å; R443-Y478 PolarHBondContact O-N 3.1Å; R443-E653 HydrophobicContact CG-CB 4Å; R443-E653 HydrophobicContact CG-CG 4.06Å; R443-C654 WeakPolarHBondContact CA-O 3.39Å; R443-L752 HydrophobicContact CB-CD2 4.2Å; R443-L752 HydrophobicContact CG-CD2 4.35Å; R443-L752 PolarHBondContact NH1-O 3.22Å
444	I	98.6	Very high	94.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.2	-172.9	-53.3	-174.1	0	0	0	110	I442 Y478 A639 M640 C643 L652 C654 I655 V656	I442-I444 HydrophobicContact CG2-CD1 4.32Å; I442-I444 HydrophobicContact CG2-CG1 3.89Å; I444-Y478 WeakPolarHBondContact CA-O 3.35Å; I444-Y478 HydrophobicContact CG2-CD1 4.21Å; I444-A639 HydrophobicContact CG2-CB 3.72Å; I444-M640 HydrophobicContact CD1-CB 4.45Å; I444-C643 HydrophobicContact CD1-CB 3.81Å; I444-C643 WeakPolarHBondContact CD1-SG 3.49Å; I444-L652 HydrophobicContact CD1-CD2 3.81Å; I444-C654 PolarHBondContact N-O 3.29Å; I444-I655 HydrophobicContact CB-CB 4.44Å; I444-I655 HydrophobicContact CB-CG1 4.04Å; I444-I655 HydrophobicContact CB-CG2 4.38Å; I444-I655 HydrophobicContact CD1-CD1 4.37Å; I444-I655 HydrophobicContact CD1-CG1 4.02Å; I444-I655 HydrophobicContact CG1-CG1 4.24Å; I444-I655 HydrophobicContact CG2-CG2 4.44Å; I444-I655 WeakPolarHBondContact O-CA 3.36Å; I444-V656 PolarHBondContact O-N 2.85Å
445	L	98.8	Very high	94.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.1	162.1	177.9	59.1	0	0	0	109.2	I447 L461 V472 F476 Y478 I479 C480 V656 L658	L445-I447 HydrophobicContact CD1-CG1 4.26Å; L445-I447 HydrophobicContact CD2-CD1 4.17Å; L445-I447 HydrophobicContact CD2-CG1 4.37Å; L445-I447 HydrophobicContact CG-CD1 4.37Å; L445-I447 HydrophobicContact CG-CG1 4.02Å; L445-L461 HydrophobicContact CD1-CD2 4.16Å; L445-L461 HydrophobicContact CD2-CD2 3.96Å; L445-V472 HydrophobicContact CD2-CG1 3.68Å; L445-F476 HydrophobicContact CB-CB 4.22Å; L445-F476 HydrophobicContact CB-CD1 3.72Å; L445-F476 HydrophobicContact CB-CD2 3.75Å; L445-F476 HydrophobicContact CB-CE1 3.95Å; L445-F476 HydrophobicContact CB-CE2 3.99Å; L445-F476 HydrophobicContact CB-CG 3.6Å; L445-F476 HydrophobicContact CB-CZ 4.08Å; L445-F476 HydrophobicContact CD1-CE2 4.29Å; L445-F476 HydrophobicContact CD1-CZ 4.18Å; L445-F476 HydrophobicContact CD2-CD2 3.88Å; L445-F476 HydrophobicContact CD2-CE2 3.88Å; L445-F476 HydrophobicContact CG-CD2 4.36Å; L445-F476 HydrophobicContact CG-CE2 4.29Å; L445-Y478 PolarHBondContact N-O 2.79Å; L445-I479 HydrophobicContact CB-CG1 4.23Å; L445-I479 HydrophobicContact CB-CG2 4.24Å; L445-I479 HydrophobicContact CD2-CG1 4.49Å; L445-I479 HydrophobicContact CD2-CG2 4Å; L445-I479 HydrophobicContact CG-CG2 4.19Å; L445-I479 CarbonylContact O-C 3.29Å; L445-I479 WeakPolarHBondContact O-CA 3.32Å; L445-C480 PolarHBondContact O-N 2.83Å; L445-V656 WeakPolarHBondContact CA-O 3.47Å; L445-V656 HydrophobicContact CD1-CB 4.33Å; L445-V656 HydrophobicContact CD1-CG1 4.14Å; L445-L658 HydrophobicContact CD1-CD1 3.77Å; L445-L658 HydrophobicContact CD1-CG 3.95Å
446	S	98.5	Very high	94.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.9	173.2	179.3	0	0	0	0	108.7	C480 P635 S636 V656 S657 L658	S446-C480 WeakPolarHBondContact CA-O 3.37Å; S446-P635 WeakPolarHBondContact OG-CD 3.39Å; S446-P635 WeakPolarHBondContact OG-CG 3.47Å; S446-S636 WeakPolarHBondContact CB-OG 3.23Å; S446-S636 WeakPolarHBondContact OG-CA 3.29Å; S446-S636 PolarHBondContact OG-N 2.83Å; S446-S636 VanDerWaalsContact OG-N 3.13Å; S446-S636 PolarHBondContact OG-OG 3.18Å; S446-S636 VanDerWaalsContact OG-OG 3.13Å; S446-V656 PolarHBondContact N-O 3.03Å; S446-S657 WeakPolarHBondContact O-CA 3.17Å; S446-L658 PolarHBondContact O-N 3.18Å
447	I	98.4	Very high	94.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.3	178.6	-44.8	178.9	0	0	0	108.8	L445 A457 L461 C480 G481 V482 L488	L445-I447 HydrophobicContact CD1-CG1 4.26Å; L445-I447 HydrophobicContact CD2-CD1 4.17Å; L445-I447 HydrophobicContact CD2-CG1 4.37Å; L445-I447 HydrophobicContact CG-CD1 4.37Å; L445-I447 HydrophobicContact CG-CG1 4.02Å; I447-A457 HydrophobicContact CG2-CB 4.14Å; I447-L461 HydrophobicContact CD1-CD1 4.49Å; I447-C480 PolarHBondContact N-O 3.26Å; I447-G481 WeakPolarHBondContact O-CA 3.37Å; I447-V482 PolarHBondContact O-N 2.8Å; I447-L488 HydrophobicContact CD1-CB 3.96Å; I447-L488 HydrophobicContact CG2-CD1 4.27Å
448	D	97.6	Very high	94.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.059	C	C	.	.			trans	-74.3	163	-176.9	-64.7	11.3	0	0	0	112.4	G485 N633 N634 L658 T690 R708	D448-G485 PolarHBondContact O-N 2.75Å; D448-N633 WeakPolarHBondContact CA-O 3.45Å; D448-N633 WeakPolarHBondContact CB-O 3.22Å; D448-N634 WeakPolarHBondContact OD1-CA 3.25Å; D448-L658 PolarHBondContact N-O 3.17Å; D448-T690 HydrophobicContact CB-CG2 4.46Å; D448-T690 WeakPolarHBondContact OD2-CB 3.32Å; D448-T690 VanDerWaalsContact OD2-CG2 3.29Å; D448-T690 WeakPolarHBondContact OD2-CG2 3.16Å; D448-R708 VanDerWaalsContact CG-NH1 3.28Å; D448-R708 IonicContact OD1-NH1 3.29Å; D448-R708 PolarHBondContact OD1-NH1 3.4Å; D448-R708 IonicContact OD2-CZ 2.7Å; D448-R708 IonicContact OD2-NH1 3.17Å; D448-R708 PolarHBondContact OD2-NH1 3.07Å; D448-R708 IonicContact OD2-NH2 2.62Å; D448-R708 PolarHBondContact OD2-NH2 3.13Å
449	G	94.4	Very high	94.6	Very high	1 Å²	1	9 Å²	9	1%	0.01	4%	0.041	C	C	.	.			trans	-76.1	158.9	166.5	0	0	0	0	0	112.5	V482 N633 T660	G449-V482 VanDerWaalsContact CA-O 3.29Å; G449-V482 WeakPolarHBondContact CA-O 3.41Å; G449-V482 PolarHBondContact N-O 3.2Å; G449-N633 WeakPolarHBondContact CA-OD1 3.4Å; G449-N633 PolarHBondContact N-O 3.47Å; G449-N633 PolarHBondContact N-OD1 2.86Å; G449-N633 PolarHBondContact O-OD1 3.1Å; G449-T660 PolarHBondContact O-OG1 2.94Å
450	G	88.7	Confident	94.8	Very high	6 Å²	6	9.2 Å²	9.2	6%	0.062	4%	0.042	C	C	.	.			trans	167.8	20.8	-179.7	0	0	0	0	0	118.6	R453 T660 L719	G450-R453 WeakPolarHBondContact O-CB 3.21Å; G450-R453 WeakPolarHBondContact O-CG 3.42Å; G450-R453 PolarHBondContact O-NE 2.66Å; G450-T660 WeakPolarHBondContact CA-OG1 3.36Å; G450-L719 VanDerWaalsContact C-CD2 3.49Å; G450-L719 WeakPolarHBondContact O-CD2 3.37Å
451	G	88.1	Confident	95	Very high	12 Å²	12	4.2 Å²	4.2	12%	0.124	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	66.2	-148.2	179.7	0	0	0	0	0	112.1	R453 G454 T484 Y506 L719	G451-R453 PolarHBondContact O-N 3.38Å; G451-R453 VanDerWaalsContact O-N 3.12Å; G451-G454 PolarHBondContact O-N 2.95Å; G451-T484 WeakPolarHBondContact CA-OG1 3.28Å; G451-T484 PolarHBondContact N-OG1 3.5Å; G451-T484 WeakPolarHBondContact O-CB 3.34Å; G451-T484 VanDerWaalsContact O-CG2 3.26Å; G451-T484 WeakPolarHBondContact O-CG2 3.48Å; G451-T484 PolarHBondContact O-OG1 2.6Å; G451-Y506 PolarHBondContact O-OH 3.43Å; G451-L719 CarbonylContact C-O 3.52Å; G451-L719 WeakPolarHBondContact CA-O 3.28Å
452	T	89.5	Confident	95.1	Very high	5 Å²	5	7.2 Å²	7.2	3%	0.031	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-63.5	-12.3	180	57	0	0	0	0	114.6	G454 Y506 F514 L719 E721	T452-G454 PolarHBondContact O-N 2.68Å; T452-Y506 VanDerWaalsContact C-OH 3.23Å; T452-Y506 WeakPolarHBondContact CA-OH 3.47Å; T452-Y506 WeakPolarHBondContact O-CE1 3.37Å; T452-Y506 PolarHBondContact O-OH 3.44Å; T452-F514 HydrophobicContact CG2-CD2 3.64Å; T452-F514 HydrophobicContact CG2-CE2 3.43Å; T452-F514 VanDerWaalsContact CG2-CE2 3.43Å; T452-L719 PolarHBondContact N-O 3.01Å; T452-L719 PolarHBondContact OG1-O 3.39Å; T452-E721 WeakPolarHBondContact CB-O 3.49Å; T452-E721 VanDerWaalsContact CG2-O 3.23Å; T452-E721 WeakPolarHBondContact CG2-O 3.4Å; T452-E721 PolarHBondContact OG1-O 2.84Å
453	R	92.1	Very high	95	Very high	42 Å²	42	9.4 Å²	9.4	16%	0.158	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-68	-1.1	178.1	-47.4	178.8	-55.8	174.2	18.4	113.7	G450 G451 V455 V456 T660 I717 L730	G450-R453 WeakPolarHBondContact O-CB 3.21Å; G450-R453 WeakPolarHBondContact O-CG 3.42Å; G450-R453 PolarHBondContact O-NE 2.66Å; G451-R453 PolarHBondContact O-N 3.38Å; G451-R453 VanDerWaalsContact O-N 3.12Å; R453-V455 PolarHBondContact O-N 3.12Å; R453-V455 VanDerWaalsContact O-N 3.11Å; R453-V456 WeakPolarHBondContact O-CB 3.29Å; R453-V456 VanDerWaalsContact O-CG2 3.28Å; R453-V456 WeakPolarHBondContact O-CG2 3.26Å; R453-V456 PolarHBondContact O-N 2.85Å; R453-V456 VanDerWaalsContact O-N 3.1Å; R453-T660 WeakPolarHBondContact CB-O 3.22Å; R453-T660 PolarHBondContact NH2-OG1 3.15Å; R453-I717 WeakPolarHBondContact CD-O 3.14Å; R453-L730 HydrophobicContact CB-CD1 4.26Å; R453-L730 HydrophobicContact CG-CD1 4.01Å
454	G	92.3	Very high	94.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-56.5	-19.9	170.4	0	0	0	0	0	114.5	G451 T452 V456 A457 L458 Y506	G451-G454 PolarHBondContact O-N 2.95Å; T452-G454 PolarHBondContact O-N 2.68Å; G454-V456 PolarHBondContact O-N 3.42Å; G454-V456 VanDerWaalsContact O-N 3.11Å; G454-A457 PolarHBondContact O-N 2.97Å; G454-L458 PolarHBondContact O-N 2.96Å; G454-Y506 WeakPolarHBondContact CA-OH 3.33Å; G454-Y506 PolarHBondContact N-OH 3.35Å; G454-Y506 VanDerWaalsContact N-OH 3.14Å
455	V	93.3	Very high	94.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-52.9	-29.4	171	-65.3	0	0	0	0	113.3	R453 L458 Q459 Y506 R507 L727 L730	R453-V455 PolarHBondContact O-N 3.12Å; R453-V455 VanDerWaalsContact O-N 3.11Å; V455-L458 PolarHBondContact O-N 2.96Å; V455-Q459 WeakPolarHBondContact O-CG 3.44Å; V455-Q459 PolarHBondContact O-N 2.72Å; V455-Q459 PolarHBondContact O-NE2 3.13Å; V455-Q459 VanDerWaalsContact O-NE2 3.16Å; V455-Y506 HydrophobicContact CG1-CD1 3.97Å; V455-Y506 HydrophobicContact CG1-CE1 3.84Å; V455-R507 HydrophobicContact CG1-CG 4.45Å; V455-L727 HydrophobicContact CG2-CD2 4.45Å; V455-L730 HydrophobicContact CG2-CB 3.81Å; V455-L730 HydrophobicContact CG2-CD1 4.2Å
456	V	94.3	Very high	94.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.1	-43.8	178.1	178.2	0	0	0	0	111.6	R453 G454 L458 Q459 P711 M713 L730	R453-V456 WeakPolarHBondContact O-CB 3.29Å; R453-V456 VanDerWaalsContact O-CG2 3.28Å; R453-V456 WeakPolarHBondContact O-CG2 3.26Å; R453-V456 PolarHBondContact O-N 2.85Å; R453-V456 VanDerWaalsContact O-N 3.1Å; G454-V456 PolarHBondContact O-N 3.42Å; G454-V456 VanDerWaalsContact O-N 3.11Å; V456-L458 VanDerWaalsContact C-N 3.3Å; V456-L458 PolarHBondContact O-N 3.4Å; V456-Q459 PolarHBondContact O-N 3.27Å; V456-P711 HydrophobicContact CG1-CG 3.35Å; V456-M713 HydrophobicContact CB-CE 4.26Å; V456-M713 HydrophobicContact CG1-CE 3.78Å; V456-M713 HydrophobicContact CG2-CE 3.45Å; V456-M713 VanDerWaalsContact CG2-CE 3.45Å; V456-L730 HydrophobicContact CG2-CB 4.07Å; V456-L730 HydrophobicContact CG2-CD2 4.07Å
457	A	95.7	Very high	94.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-36.5	177.6	0	0	0	0	0	111.2	I447 G454 Q459 T460 L461 L488 L658	I447-A457 HydrophobicContact CG2-CB 4.14Å; G454-A457 PolarHBondContact O-N 2.97Å; A457-Q459 VanDerWaalsContact C-N 3.33Å; A457-Q459 PolarHBondContact O-N 2.79Å; A457-T460 PolarHBondContact O-N 3.26Å; A457-L461 PolarHBondContact O-N 3.32Å; A457-L461 VanDerWaalsContact O-N 3.15Å; A457-L488 HydrophobicContact CB-CD1 4.44Å; A457-L658 HydrophobicContact CB-CB 3.96Å; A457-L658 HydrophobicContact CB-CD1 4.19Å
458	L	95.8	Very high	94.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.6	-39.3	175.2	-72	174.3	0	0	0	112.5	G454 V455 V456 T460 L461 R462 L488 L492 L499 E503 Y506	G454-L458 PolarHBondContact O-N 2.96Å; V455-L458 PolarHBondContact O-N 2.96Å; V456-L458 VanDerWaalsContact C-N 3.3Å; V456-L458 PolarHBondContact O-N 3.4Å; L458-T460 VanDerWaalsContact C-N 3.31Å; L458-T460 PolarHBondContact O-N 3.26Å; L458-L461 PolarHBondContact O-N 2.82Å; L458-R462 WeakPolarHBondContact O-CG 3.36Å; L458-R462 PolarHBondContact O-N 3.31Å; L458-L488 HydrophobicContact CD1-CD2 4.23Å; L458-L488 HydrophobicContact CD2-CD2 4.1Å; L458-L488 HydrophobicContact CG-CD1 4.34Å; L458-L488 HydrophobicContact CG-CD2 4.25Å; L458-L492 HydrophobicContact CD2-CD1 4.31Å; L458-L499 HydrophobicContact CD2-CD2 3.69Å; L458-E503 HydrophobicContact CD1-CB 3.92Å; L458-E503 HydrophobicContact CD1-CG 3.96Å; L458-Y506 HydrophobicContact CD1-CD1 4.37Å
459	Q	95.3	Very high	94.5	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-62.5	-38.6	177.5	-53.5	-41.9	-57.7	0	0	112.1	V455 V456 A457 L461 R462 K463 E503 Q731 L735 I738	V455-Q459 WeakPolarHBondContact O-CG 3.44Å; V455-Q459 PolarHBondContact O-N 2.72Å; V455-Q459 PolarHBondContact O-NE2 3.13Å; V455-Q459 VanDerWaalsContact O-NE2 3.16Å; V456-Q459 PolarHBondContact O-N 3.27Å; A457-Q459 VanDerWaalsContact C-N 3.33Å; A457-Q459 PolarHBondContact O-N 2.79Å; Q459-L461 VanDerWaalsContact C-N 3.34Å; Q459-L461 PolarHBondContact O-N 3.18Å; Q459-R462 PolarHBondContact O-N 2.71Å; Q459-K463 PolarHBondContact O-N 3.27Å; Q459-K463 VanDerWaalsContact O-N 3.14Å; Q459-E503 PolarHBondContact NE2-OE2 2.87Å; Q459-Q731 HydrophobicContact CG-CG 4.1Å; Q459-Q731 VanDerWaalsContact OE1-NE2 3.13Å; Q459-L735 HydrophobicContact CB-CD2 4.35Å; Q459-L735 HydrophobicContact CG-CG 4.44Å; Q459-I738 HydrophobicContact CB-CD1 3.67Å; Q459-I738 WeakPolarHBondContact O-CD1 3.39Å
460	T	95.4	Very high	94.5	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-40.7	176.6	-55.7	0	0	0	0	110.8	A457 L458 K463 L464 L658 F709 M745	A457-T460 PolarHBondContact O-N 3.26Å; L458-T460 VanDerWaalsContact C-N 3.31Å; L458-T460 PolarHBondContact O-N 3.26Å; T460-K463 PolarHBondContact O-N 3.17Å; T460-L464 WeakPolarHBondContact O-CG 3.48Å; T460-L464 PolarHBondContact O-N 3.15Å; T460-L658 HydrophobicContact CG2-CD2 3.56Å; T460-F709 HydrophobicContact CG2-CB 4.01Å; T460-F709 HydrophobicContact CG2-CD1 4.3Å; T460-F709 HydrophobicContact CG2-CD2 3.98Å; T460-F709 HydrophobicContact CG2-CG 3.83Å; T460-M745 HydrophobicContact CG2-CE 3.96Å; T460-M745 HydrophobicContact CG2-SD 3.99Å; T460-M745 WeakPolarHBondContact O-CE 3.48Å
461	L	97.2	Very high	94.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-67	-39.9	176.2	-67.9	169.8	0	0	0	112.3	L445 I447 A457 L458 Q459 K463 L464 V465 V472 L492 L499 L658	L445-L461 HydrophobicContact CD1-CD2 4.16Å; L445-L461 HydrophobicContact CD2-CD2 3.96Å; I447-L461 HydrophobicContact CD1-CD1 4.49Å; A457-L461 PolarHBondContact O-N 3.32Å; A457-L461 VanDerWaalsContact O-N 3.15Å; L458-L461 PolarHBondContact O-N 2.82Å; Q459-L461 VanDerWaalsContact C-N 3.34Å; Q459-L461 PolarHBondContact O-N 3.18Å; L461-K463 PolarHBondContact O-N 3.18Å; L461-L464 PolarHBondContact O-N 3.44Å; L461-V465 WeakPolarHBondContact O-CG2 3.42Å; L461-V465 PolarHBondContact O-N 3.29Å; L461-V472 HydrophobicContact CD2-CG1 4.36Å; L461-V472 HydrophobicContact CD2-CG2 4.28Å; L461-L492 HydrophobicContact CD1-CD1 3.54Å; L461-L499 HydrophobicContact CB-CD1 4.19Å; L461-L499 HydrophobicContact CB-CD2 3.91Å; L461-L658 HydrophobicContact CD1-CD1 3.82Å; L461-L658 HydrophobicContact CD2-CD1 3.75Å; L461-L658 HydrophobicContact CG-CD1 3.53Å
462	R	96.4	Very high	95.2	Very high	63 Å²	63	31.6 Å²	31.6	24%	0.238	15%	0.151	C	C	.	.	H	α-helix	trans	-53.9	-51.2	173.1	-75.1	172.9	172.3	-75.2	7.5	110.8	L458 Q459 L464 V465 E466 L499 D500 E503	L458-R462 WeakPolarHBondContact O-CG 3.36Å; L458-R462 PolarHBondContact O-N 3.31Å; Q459-R462 PolarHBondContact O-N 2.71Å; R462-L464 PolarHBondContact O-N 3.4Å; R462-V465 PolarHBondContact O-N 3.45Å; R462-E466 WeakPolarHBondContact O-CB 3.41Å; R462-E466 PolarHBondContact O-N 3.25Å; R462-L499 HydrophobicContact CB-CD1 4.42Å; R462-L499 HydrophobicContact CG-CB 4.12Å; R462-L499 HydrophobicContact CG-CD1 4.02Å; R462-D500 IonicContact CZ-OD1 2.63Å; R462-D500 VanDerWaalsContact CZ-OD1 3.24Å; R462-D500 IonicContact NH1-OD1 2.97Å; R462-D500 PolarHBondContact NH1-OD1 3.46Å; R462-D500 IonicContact NH1-OD2 3.3Å; R462-D500 IonicContact NH2-OD1 3.93Å; R462-D500 PolarHBondContact NH2-OD1 2.76Å; R462-E503 IonicContact CZ-OE2 3.24Å; R462-E503 VanDerWaalsContact CZ-OE2 3.27Å; R462-E503 IonicContact NE-OE2 2.75Å; R462-E503 PolarHBondContact NE-OE2 3.24Å; R462-E503 IonicContact NH2-OE2 3.88Å; R462-E503 PolarHBondContact NH2-OE2 2.84Å
463	K	96.5	Very high	95.5	Very high	47 Å²	47	32.2 Å²	32.2	20%	0.204	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-31.2	179.4	-169.9	57.9	157.4	-173.3	0	113.3	Q459 T460 L461 E466 L467 I738 M745	Q459-K463 PolarHBondContact O-N 3.27Å; Q459-K463 VanDerWaalsContact O-N 3.14Å; T460-K463 PolarHBondContact O-N 3.17Å; L461-K463 PolarHBondContact O-N 3.18Å; K463-E466 HydrophobicContact CD-CB 4.43Å; K463-E466 WeakPolarHBondContact CD-OE2 3.47Å; K463-E466 WeakPolarHBondContact CE-OE2 3.35Å; K463-E466 IonicContact NZ-OE1 3.05Å; K463-E466 PolarHBondContact NZ-OE1 2.85Å; K463-E466 IonicContact NZ-OE2 3.06Å; K463-E466 PolarHBondContact NZ-OE2 3.48Å; K463-L467 HydrophobicContact CD-CD1 4.46Å; K463-L467 HydrophobicContact CD-CG 4.32Å; K463-L467 HydrophobicContact CG-CD1 4.13Å; K463-L467 HydrophobicContact CG-CG 4.45Å; K463-L467 WeakPolarHBondContact O-CB 3.36Å; K463-L467 VanDerWaalsContact O-CG 3.24Å; K463-L467 WeakPolarHBondContact O-CG 3.44Å; K463-L467 PolarHBondContact O-N 3.29Å; K463-I738 HydrophobicContact CB-CG2 3.88Å; K463-I738 HydrophobicContact CG-CG2 3.66Å; K463-M745 HydrophobicContact CB-CE 3.64Å; K463-M745 HydrophobicContact CG-CE 3.78Å
464	L	96.6	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.4	-42.1	171.6	-73.9	177.6	0	0	0	112.3	T460 L461 R462 L467 T468 V656 M745 V748 L752	T460-L464 WeakPolarHBondContact O-CG 3.48Å; T460-L464 PolarHBondContact O-N 3.15Å; L461-L464 PolarHBondContact O-N 3.44Å; R462-L464 PolarHBondContact O-N 3.4Å; L464-L467 PolarHBondContact O-N 2.94Å; L464-T468 WeakPolarHBondContact O-CB 3.12Å; L464-T468 VanDerWaalsContact O-CG2 3.31Å; L464-T468 WeakPolarHBondContact O-CG2 3.3Å; L464-T468 PolarHBondContact O-N 3.15Å; L464-T468 PolarHBondContact O-OG1 3.13Å; L464-V656 HydrophobicContact CD1-CG1 4.19Å; L464-M745 HydrophobicContact CD2-CE 3.88Å; L464-M745 HydrophobicContact CG-CE 3.79Å; L464-V748 HydrophobicContact CD1-CG1 4.43Å; L464-V748 HydrophobicContact CD2-CB 4.15Å; L464-V748 HydrophobicContact CD2-CG1 3.69Å; L464-L752 HydrophobicContact CD1-CD1 4.41Å; L464-L752 HydrophobicContact CD2-CD1 4.39Å
465	V	96.7	Very high	95.9	Very high	37 Å²	37	34.2 Å²	34.2	22%	0.224	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-41.7	176.2	172.2	0	0	0	0	110.5	L461 R462 L467 T468 Q469 V472 L499	L461-V465 WeakPolarHBondContact O-CG2 3.42Å; L461-V465 PolarHBondContact O-N 3.29Å; R462-V465 PolarHBondContact O-N 3.45Å; V465-L467 PolarHBondContact O-N 3.4Å; V465-T468 PolarHBondContact O-N 3.41Å; V465-Q469 WeakPolarHBondContact O-CA 3.24Å; V465-Q469 PolarHBondContact O-N 3.34Å; V465-V472 HydrophobicContact CG2-CG2 3.93Å; V465-L499 HydrophobicContact CB-CD1 4.07Å; V465-L499 HydrophobicContact CG2-CD1 3.62Å
466	E	96.2	Very high	96.1	Very high	103 Å²	103	34.2 Å²	34.2	48%	0.481	17%	0.165	S	C	.	.	H	α-helix	trans	-58.6	-47.1	174.1	-169.8	-151.5	124.5	0	0	112.1	R462 K463 T468 Q469	R462-E466 WeakPolarHBondContact O-CB 3.41Å; R462-E466 PolarHBondContact O-N 3.25Å; K463-E466 HydrophobicContact CD-CB 4.43Å; K463-E466 WeakPolarHBondContact CD-OE2 3.47Å; K463-E466 WeakPolarHBondContact CE-OE2 3.35Å; K463-E466 IonicContact NZ-OE1 3.05Å; K463-E466 PolarHBondContact NZ-OE1 2.85Å; K463-E466 IonicContact NZ-OE2 3.06Å; K463-E466 PolarHBondContact NZ-OE2 3.48Å; E466-T468 PolarHBondContact O-N 3.32Å; E466-Q469 PolarHBondContact O-NE2 2.92Å
467	L	96.9	Very high	96.3	Very high	54 Å²	54	34.6 Å²	34.6	28%	0.283	17%	0.167	S	C	.	.	H	α-helix	trans	-74.9	-20.9	-178.5	-70.6	172.3	0	0	0	114.2	K463 L464 V465 M745 K746 A749	K463-L467 HydrophobicContact CD-CD1 4.46Å; K463-L467 HydrophobicContact CD-CG 4.32Å; K463-L467 HydrophobicContact CG-CD1 4.13Å; K463-L467 HydrophobicContact CG-CG 4.45Å; K463-L467 WeakPolarHBondContact O-CB 3.36Å; K463-L467 VanDerWaalsContact O-CG 3.24Å; K463-L467 WeakPolarHBondContact O-CG 3.44Å; K463-L467 PolarHBondContact O-N 3.29Å; L464-L467 PolarHBondContact O-N 2.94Å; V465-L467 PolarHBondContact O-N 3.4Å; L467-M745 HydrophobicContact CD1-CB 3.94Å; L467-K746 HydrophobicContact CD1-CG 4.47Å; L467-K746 HydrophobicContact CD2-CG 4.5Å; L467-A749 HydrophobicContact CB-CB 3.61Å; L467-A749 HydrophobicContact CD1-CB 4.14Å
468	T	96.2	Very high	96.4	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.067	17%	0.167	C	C	.	.	H	α-helix	trans	-108.9	-15.4	-176.4	59.3	0	0	0	0	113.7	L464 V465 E466 K470 L475 A749 L752	L464-T468 WeakPolarHBondContact O-CB 3.12Å; L464-T468 VanDerWaalsContact O-CG2 3.31Å; L464-T468 WeakPolarHBondContact O-CG2 3.3Å; L464-T468 PolarHBondContact O-N 3.15Å; L464-T468 PolarHBondContact O-OG1 3.13Å; V465-T468 PolarHBondContact O-N 3.41Å; E466-T468 PolarHBondContact O-N 3.32Å; T468-K470 PolarHBondContact O-N 2.88Å; T468-L475 HydrophobicContact CG2-CD2 3.93Å; T468-A749 HydrophobicContact CG2-CB 3.79Å; T468-L752 HydrophobicContact CG2-CB 4.47Å
469	Q	96.1	Very high	96.5	Very high	162 Å²	162	34.6 Å²	34.6	76%	0.757	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	31.7	-173.9	-61.3	-67.5	-46.8	0	0	113	V465 E466	V465-Q469 WeakPolarHBondContact O-CA 3.24Å; V465-Q469 PolarHBondContact O-N 3.34Å; E466-Q469 PolarHBondContact O-NE2 2.92Å
470	K	94.4	Very high	96.7	Very high	72 Å²	72	34.4 Å²	34.4	31%	0.313	17%	0.166	S	C	.	.	S	Bend	trans	-135.2	139.4	-179.4	-71	174.9	-175.3	177.8	0	110.5	T468 L475	T468-K470 PolarHBondContact O-N 2.88Å; K470-L475 HydrophobicContact CB-CD2 3.78Å; K470-L475 HydrophobicContact CB-CG 4.25Å; K470-L475 HydrophobicContact CD-CD2 4.35Å
471	P	95.6	Very high	96.8	Very high	52 Å²	52	34.2 Å²	34.2	34%	0.338	17%	0.165	S	C	.	.			trans	-71	155.7	177.8	31	-36.1	0	0	0	111.7	H473 Q474 L475	P471-H473 VanDerWaalsContact C-N 3.3Å; P471-H473 WeakPolarHBondContact CG-CE1 3.32Å; P471-H473 PolarHBondContact O-N 3.29Å; P471-H473 VanDerWaalsContact O-N 3.15Å; P471-Q474 HydrophobicContact CG-CB 4.47Å; P471-Q474 HydrophobicContact CG-CG 3.93Å; P471-Q474 PolarHBondContact O-N 2.99Å; P471-L475 PolarHBondContact O-N 3.32Å
472	V	96.5	Very high	96.8	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.036	17%	0.165	C	C	.	.	H	α-helix	trans	-51.3	-43.7	-171.8	-178	0	0	0	0	113.1	L445 L461 V465 Q474 L475 F476 I479 L492	L445-V472 HydrophobicContact CD2-CG1 3.68Å; L461-V472 HydrophobicContact CD2-CG1 4.36Å; L461-V472 HydrophobicContact CD2-CG2 4.28Å; V465-V472 HydrophobicContact CG2-CG2 3.93Å; V472-Q474 PolarHBondContact O-N 3.17Å; V472-Q474 VanDerWaalsContact O-N 3.09Å; V472-L475 PolarHBondContact O-N 2.88Å; V472-L475 VanDerWaalsContact O-N 3.11Å; V472-F476 HydrophobicContact CG1-CD2 3.92Å; V472-F476 HydrophobicContact CG1-CE2 4.15Å; V472-F476 WeakPolarHBondContact O-CD2 3.39Å; V472-F476 PolarHBondContact O-N 3.37Å; V472-I479 HydrophobicContact CG1-CD1 4.27Å; V472-L492 HydrophobicContact CB-CB 4.32Å; V472-L492 HydrophobicContact CG1-CB 4.28Å; V472-L492 HydrophobicContact CG2-CD1 4.49Å
473	H	95.9	Very high	96.7	Very high	19 Å²	19	31.7 Å²	31.7	9%	0.088	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-13	179.9	69.2	-95.6	0	0	0	115	K438 P471 H496 P560	K438-H473 PolarHBondContact NZ-O 3.31Å; P471-H473 VanDerWaalsContact C-N 3.3Å; P471-H473 WeakPolarHBondContact CG-CE1 3.32Å; P471-H473 PolarHBondContact O-N 3.29Å; P471-H473 VanDerWaalsContact O-N 3.15Å; H473-H496 VanDerWaalsContact CB-CD2 3.47Å; H473-H496 WeakPolarHBondContact CB-CD2 3.36Å; H473-H496 AromaticContact CD2-CD2 3.92Å; H473-H496 AromaticContact CD2-CE1 3.92Å; H473-H496 AromaticContact CD2-NE2 3.83Å; H473-H496 AromaticContact CE1-CG 3.85Å; H473-H496 AromaticContact CG-CD2 3.43Å; H473-H496 VanDerWaalsContact CG-CD2 3.43Å; H473-H496 AromaticContact CG-CG 3.74Å; H473-H496 AromaticContact CG-NE2 3.74Å; H473-H496 AromaticContact ND1-CD2 3.71Å; H473-H496 AromaticContact ND1-CG 3.61Å; H473-P560 HydrophobicContact CB-CG 4.25Å
474	Q	95.6	Very high	96.6	Very high	83 Å²	83	29.9 Å²	29.9	39%	0.388	15%	0.15	S	C	.	.	H	α-helix	trans	-98	-27.4	174.4	-60.8	-179.3	18.1	0	0	112.8	R443 P471 V472	R443-Q474 PolarHBondContact NH2-O 3.12Å; P471-Q474 HydrophobicContact CG-CB 4.47Å; P471-Q474 HydrophobicContact CG-CG 3.93Å; P471-Q474 PolarHBondContact O-N 2.99Å; V472-Q474 PolarHBondContact O-N 3.17Å; V472-Q474 VanDerWaalsContact O-N 3.09Å
475	L	96.6	Very high	96.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-71.4	-33.9	178.9	-64.9	179.3	0	0	0	112.7	R443 T468 K470 P471 V472 L752	R443-L475 PolarHBondContact NE-O 3.15Å; R443-L475 PolarHBondContact NH1-O 2.8Å; R443-L475 PolarHBondContact NH2-O 2.83Å; T468-L475 HydrophobicContact CG2-CD2 3.93Å; K470-L475 HydrophobicContact CB-CD2 3.78Å; K470-L475 HydrophobicContact CB-CG 4.25Å; K470-L475 HydrophobicContact CD-CD2 4.35Å; P471-L475 PolarHBondContact O-N 3.32Å; V472-L475 PolarHBondContact O-N 2.88Å; V472-L475 VanDerWaalsContact O-N 3.11Å; L475-L752 HydrophobicContact CB-CD1 4.48Å; L475-L752 HydrophobicContact CD1-CD1 4.48Å; L475-L752 HydrophobicContact CD2-CB 4.21Å
476	F	97.9	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.			trans	-115.9	147.3	-174.1	-57.9	-76.1	0	0	0	112.3	R443 L445 V472 I479 V656 L752	R443-F476 HydrophobicContact CB-CD1 4.39Å; L445-F476 HydrophobicContact CB-CB 4.22Å; L445-F476 HydrophobicContact CB-CD1 3.72Å; L445-F476 HydrophobicContact CB-CD2 3.75Å; L445-F476 HydrophobicContact CB-CE1 3.95Å; L445-F476 HydrophobicContact CB-CE2 3.99Å; L445-F476 HydrophobicContact CB-CG 3.6Å; L445-F476 HydrophobicContact CB-CZ 4.08Å; L445-F476 HydrophobicContact CD1-CE2 4.29Å; L445-F476 HydrophobicContact CD1-CZ 4.18Å; L445-F476 HydrophobicContact CD2-CD2 3.88Å; L445-F476 HydrophobicContact CD2-CE2 3.88Å; L445-F476 HydrophobicContact CG-CD2 4.36Å; L445-F476 HydrophobicContact CG-CE2 4.29Å; V472-F476 HydrophobicContact CG1-CD2 3.92Å; V472-F476 HydrophobicContact CG1-CE2 4.15Å; V472-F476 WeakPolarHBondContact O-CD2 3.39Å; V472-F476 PolarHBondContact O-N 3.37Å; F476-I479 HydrophobicContact CB-CG1 4.03Å; F476-V656 HydrophobicContact CE1-CB 3.92Å; F476-V656 HydrophobicContact CE1-CG2 3.79Å; F476-V656 HydrophobicContact CZ-CB 4.09Å; F476-V656 HydrophobicContact CZ-CG1 4.48Å; F476-V656 HydrophobicContact CZ-CG2 4.05Å; F476-L752 HydrophobicContact CD1-CD2 4.14Å; F476-L752 HydrophobicContact CE1-CD1 4.17Å; F476-L752 HydrophobicContact CE1-CD2 3.69Å; F476-L752 HydrophobicContact CZ-CD1 3.87Å; F476-L752 HydrophobicContact CZ-CD2 4.21Å
477	D	97.8	Very high	96.7	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	12%	0.119	C	C	.	.	S	Bend	trans	-94.4	-28.3	175.3	-55.7	-67.8	0	0	0	110.7	V437 K438 R443 K561 W647	V437-D477 HydrophobicContact CB-CB 4.39Å; V437-D477 HydrophobicContact CG1-CB 4.23Å; K438-D477 WeakPolarHBondContact CB-OD1 3.44Å; K438-D477 WeakPolarHBondContact CG-OD1 3.48Å; K438-D477 PolarHBondContact N-OD1 2.66Å; R443-D477 WeakPolarHBondContact CB-OD2 3.43Å; R443-D477 IonicContact CZ-OD2 2.67Å; R443-D477 PolarHBondContact N-OD2 3.23Å; R443-D477 VanDerWaalsContact N-OD2 3.17Å; R443-D477 IonicContact NE-OD2 3.24Å; R443-D477 PolarHBondContact NE-OD2 2.64Å; R443-D477 IonicContact NH2-OD1 3.78Å; R443-D477 PolarHBondContact NH2-OD1 3.37Å; R443-D477 VanDerWaalsContact NH2-OD1 3.12Å; R443-D477 IonicContact NH2-OD2 2.91Å; R443-D477 PolarHBondContact NH2-OD2 2.78Å; R443-D477 VanDerWaalsContact NH2-OD2 3.16Å; R443-D477 PolarHBondContact O-N 2.64Å; D477-K561 PolarHBondContact O-N 2.88Å; D477-W647 HydrophobicContact CB-CH2 4.32Å
478	Y	98.6	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.9	175.4	-167.8	-82.4	0	0	0	111.3	R443 I444 L445 C480 K561 A563 Y583 A639 E642 C643 L646	R443-Y478 PolarHBondContact O-N 3.1Å; I444-Y478 WeakPolarHBondContact CA-O 3.35Å; I444-Y478 HydrophobicContact CG2-CD1 4.21Å; L445-Y478 PolarHBondContact N-O 2.79Å; Y478-C480 HydrophobicContact CD1-CB 4.35Å; Y478-C480 HydrophobicContact CE1-CB 3.76Å; Y478-K561 CarbonylContact C-O 3.59Å; Y478-K561 VanDerWaalsContact CA-O 3.25Å; Y478-K561 WeakPolarHBondContact CA-O 3.39Å; Y478-K561 HydrophobicContact CD2-CB 3.68Å; Y478-K561 HydrophobicContact CE2-CB 4.25Å; Y478-K561 HydrophobicContact CG-CB 4.45Å; Y478-A563 HydrophobicContact CE1-CB 4.44Å; Y478-A563 WeakPolarHBondContact OH-CB 3.22Å; Y478-Y583 AromaticContact CE2-CE1 3.66Å; Y478-Y583 HydrophobicContact CE2-CE1 3.66Å; Y478-Y583 AromaticContact CE2-CZ 3.78Å; Y478-Y583 WeakPolarHBondContact CE2-OH 3.31Å; Y478-Y583 PolarHBondContact OH-OH 2.96Å; Y478-A639 HydrophobicContact CD1-CB 4.09Å; Y478-A639 HydrophobicContact CE1-CB 3.77Å; Y478-E642 HydrophobicContact CE2-CB 3.95Å; Y478-E642 WeakPolarHBondContact OH-CB 3.47Å; Y478-C643 WeakPolarHBondContact CB-SG 3.49Å; Y478-C643 VanDerWaalsContact CD2-SG 3.55Å; Y478-L646 HydrophobicContact CD2-CD1 4.22Å; Y478-L646 HydrophobicContact CE2-CD1 4.21Å
479	I	98.8	Very high	96.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123	176.4	-52.2	-178.4	0	0	0	109.1	L445 V472 F476 A489 P560 K561 V562 A563	L445-I479 HydrophobicContact CB-CG1 4.23Å; L445-I479 HydrophobicContact CB-CG2 4.24Å; L445-I479 HydrophobicContact CD2-CG1 4.49Å; L445-I479 HydrophobicContact CD2-CG2 4Å; L445-I479 HydrophobicContact CG-CG2 4.19Å; L445-I479 CarbonylContact O-C 3.29Å; L445-I479 WeakPolarHBondContact O-CA 3.32Å; V472-I479 HydrophobicContact CG1-CD1 4.27Å; F476-I479 HydrophobicContact CB-CG1 4.03Å; I479-A489 HydrophobicContact CG2-CB 3.66Å; I479-P560 HydrophobicContact CD1-CB 4.46Å; I479-P560 HydrophobicContact CD1-CG 3.77Å; I479-P560 HydrophobicContact CG1-CB 4.44Å; I479-P560 HydrophobicContact CG1-CG 4.21Å; I479-K561 PolarHBondContact N-O 2.91Å; I479-V562 HydrophobicContact CB-CG2 4.39Å; I479-V562 CarbonylContact O-C 3.56Å; I479-V562 VanDerWaalsContact O-CA 3.3Å; I479-V562 WeakPolarHBondContact O-CA 3.45Å; I479-A563 PolarHBondContact O-N 3.06Å
480	C	98.5	Very high	96.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141	177.4	-143.6	0	0	0	0	111	L445 S446 I447 Y478 A563 P635 A639	L445-C480 PolarHBondContact O-N 2.83Å; S446-C480 WeakPolarHBondContact CA-O 3.37Å; I447-C480 PolarHBondContact N-O 3.26Å; Y478-C480 HydrophobicContact CD1-CB 4.35Å; Y478-C480 HydrophobicContact CE1-CB 3.76Å; C480-A563 WeakPolarHBondContact CA-O 3.19Å; C480-P635 HydrophobicContact CB-CB 4.34Å; C480-P635 HydrophobicContact CB-CG 4.34Å; C480-A639 HydrophobicContact CB-CB 3.65Å
481	G	98.2	Very high	96.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.8	174.2	0	0	0	0	0	113.9	I447 G485 A563 A564 V565	I447-G481 WeakPolarHBondContact O-CA 3.37Å; G481-G485 VanDerWaalsContact CA-C 3.42Å; G481-G485 WeakPolarHBondContact CA-O 3.38Å; G481-A563 PolarHBondContact N-O 2.97Å; G481-A564 WeakPolarHBondContact O-CA 3.5Å; G481-V565 PolarHBondContact O-N 3.18Å
482	V	97.5	Very high	96.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.2	174.1	170.1	0	0	0	0	108.5	I447 G449 T484 G485 A486 V565 G628 L632 P635	I447-V482 PolarHBondContact O-N 2.8Å; G449-V482 VanDerWaalsContact CA-O 3.29Å; G449-V482 WeakPolarHBondContact CA-O 3.41Å; G449-V482 PolarHBondContact N-O 3.2Å; V482-T484 PolarHBondContact O-N 3.02Å; V482-G485 VanDerWaalsContact O-CA 3.32Å; V482-G485 WeakPolarHBondContact O-CA 3.5Å; V482-G485 PolarHBondContact O-N 3.37Å; V482-A486 PolarHBondContact O-N 3.42Å; V482-V565 HydrophobicContact CG2-CB 3.77Å; V482-V565 HydrophobicContact CG2-CG1 4.4Å; V482-V565 HydrophobicContact CG2-CG2 4.27Å; V482-G628 VanDerWaalsContact CG1-C 3.47Å; V482-L632 WeakPolarHBondContact CG2-O 3.49Å; V482-P635 HydrophobicContact CB-CG 4.42Å; V482-P635 HydrophobicContact CG2-CB 3.67Å; V482-P635 HydrophobicContact CG2-CG 3.59Å
483	S	94.6	Very high	96.9	Very high	11 Å²	11	7 Å²	7	8%	0.077	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-128.8	-178.3	-160.8	0	0	0	0	112	G485 A486 I487 S608 D627	S483-G485 PolarHBondContact O-N 3.02Å; S483-A486 WeakPolarHBondContact O-CA 3.32Å; S483-A486 VanDerWaalsContact O-CB 3.24Å; S483-A486 WeakPolarHBondContact O-CB 3.38Å; S483-A486 PolarHBondContact O-N 3.24Å; S483-I487 PolarHBondContact O-N 2.8Å; S483-S608 VanDerWaalsContact CA-O 3.25Å; S483-S608 WeakPolarHBondContact CA-O 3.24Å; S483-S608 PolarHBondContact N-O 3.47Å; S483-S608 PolarHBondContact N-OG 2.79Å; S483-D627 WeakPolarHBondContact CB-OD1 3.3Å; S483-D627 WeakPolarHBondContact CB-OD2 3.49Å; S483-D627 PolarHBondContact OG-OD2 2.88Å
484	T	94.3	Very high	96.9	Very high	8 Å²	8	6.8 Å²	6.8	5%	0.049	4%	0.035	C	C	.	.	H	α-helix	trans	-37.5	-46.8	162.4	-69.6	0	0	0	0	115.3	G451 V482 A486 I487 L488 Y506	G451-T484 WeakPolarHBondContact CA-OG1 3.28Å; G451-T484 PolarHBondContact N-OG1 3.5Å; G451-T484 WeakPolarHBondContact O-CB 3.34Å; G451-T484 VanDerWaalsContact O-CG2 3.26Å; G451-T484 WeakPolarHBondContact O-CG2 3.48Å; G451-T484 PolarHBondContact O-OG1 2.6Å; V482-T484 PolarHBondContact O-N 3.02Å; T484-A486 PolarHBondContact O-N 3.11Å; T484-I487 VanDerWaalsContact O-CB 3.31Å; T484-I487 WeakPolarHBondContact O-CB 3.38Å; T484-I487 PolarHBondContact O-N 2.91Å; T484-L488 HydrophobicContact CG2-CD1 4.4Å; T484-L488 PolarHBondContact O-N 3.12Å; T484-Y506 HydrophobicContact CG2-CE2 3.84Å; T484-Y506 WeakPolarHBondContact CG2-OH 3.4Å
485	G	97.1	Very high	96.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.9	-29.6	178.5	0	0	0	0	0	112.8	D448 G481 V482 S483 A489	D448-G485 PolarHBondContact O-N 2.75Å; G481-G485 VanDerWaalsContact CA-C 3.42Å; G481-G485 WeakPolarHBondContact CA-O 3.38Å; V482-G485 VanDerWaalsContact O-CA 3.32Å; V482-G485 WeakPolarHBondContact O-CA 3.5Å; V482-G485 PolarHBondContact O-N 3.37Å; S483-G485 PolarHBondContact O-N 3.02Å; G485-A489 WeakPolarHBondContact O-CB 3.49Å; G485-A489 PolarHBondContact O-N 2.89Å
486	A	97.3	Very high	96.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70.3	-37.9	172.9	0	0	0	0	0	112.1	V482 S483 T484 A489 F490 A564 I605 S608	V482-A486 PolarHBondContact O-N 3.42Å; S483-A486 WeakPolarHBondContact O-CA 3.32Å; S483-A486 VanDerWaalsContact O-CB 3.24Å; S483-A486 WeakPolarHBondContact O-CB 3.38Å; S483-A486 PolarHBondContact O-N 3.24Å; T484-A486 PolarHBondContact O-N 3.11Å; A486-A489 PolarHBondContact O-N 3.24Å; A486-F490 WeakPolarHBondContact O-CD1 3.31Å; A486-F490 PolarHBondContact O-N 3.46Å; A486-A564 HydrophobicContact CB-CB 3.62Å; A486-I605 VanDerWaalsContact C-CD1 3.45Å; A486-I605 HydrophobicContact CB-CD1 3.75Å; A486-I605 WeakPolarHBondContact O-CD1 3.42Å; A486-S608 VanDerWaalsContact CB-OG 3.28Å; A486-S608 WeakPolarHBondContact CB-OG 3.45Å
487	I	96	Very high	96.6	Very high	11 Å²	11	10.2 Å²	10.2	6%	0.056	5%	0.05	C	C	.	.	H	α-helix	trans	-59	-52	174.6	-57.2	173.4	0	0	0	109.2	S483 T484 A489 F490 M491 W537 I605	S483-I487 PolarHBondContact O-N 2.8Å; T484-I487 VanDerWaalsContact O-CB 3.31Å; T484-I487 WeakPolarHBondContact O-CB 3.38Å; T484-I487 PolarHBondContact O-N 2.91Å; I487-A489 PolarHBondContact O-N 3.39Å; I487-F490 PolarHBondContact O-N 3.35Å; I487-M491 HydrophobicContact CG2-SD 3.56Å; I487-M491 VanDerWaalsContact CG2-SD 3.56Å; I487-M491 WeakPolarHBondContact O-CG 3.45Å; I487-M491 PolarHBondContact O-N 2.66Å; I487-W537 HydrophobicContact CD1-CH2 3.89Å; I487-W537 HydrophobicContact CD1-CZ2 3.84Å; I487-I605 HydrophobicContact CD1-CG2 4.29Å; I487-I605 HydrophobicContact CG1-CD1 4.36Å; I487-I605 HydrophobicContact CG1-CG2 3.62Å
488	L	96.9	Very high	96.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.9	-41	177.5	-61.3	-177.9	0	0	0	112.2	I447 A457 L458 T484 F490 M491 L492 Y506	I447-L488 HydrophobicContact CD1-CB 3.96Å; I447-L488 HydrophobicContact CG2-CD1 4.27Å; A457-L488 HydrophobicContact CB-CD1 4.44Å; L458-L488 HydrophobicContact CD1-CD2 4.23Å; L458-L488 HydrophobicContact CD2-CD2 4.1Å; L458-L488 HydrophobicContact CG-CD1 4.34Å; L458-L488 HydrophobicContact CG-CD2 4.25Å; T484-L488 HydrophobicContact CG2-CD1 4.4Å; T484-L488 PolarHBondContact O-N 3.12Å; L488-F490 VanDerWaalsContact C-N 3.28Å; L488-F490 PolarHBondContact O-N 3.16Å; L488-M491 PolarHBondContact O-N 2.89Å; L488-L492 WeakPolarHBondContact O-CB 3.25Å; L488-L492 VanDerWaalsContact O-CG 3.28Å; L488-L492 WeakPolarHBondContact O-CG 3.45Å; L488-L492 PolarHBondContact O-N 3.26Å; L488-Y506 HydrophobicContact CD2-CD2 3.92Å; L488-Y506 HydrophobicContact CD2-CE2 4.33Å; L488-Y506 HydrophobicContact CD2-CG 4.18Å
489	A	97.7	Very high	96.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.4	-36.2	175.8	0	0	0	0	0	112.7	I479 G485 A486 I487 G493 V562	I479-A489 HydrophobicContact CG2-CB 3.66Å; G485-A489 WeakPolarHBondContact O-CB 3.49Å; G485-A489 PolarHBondContact O-N 2.89Å; A486-A489 PolarHBondContact O-N 3.24Å; I487-A489 PolarHBondContact O-N 3.39Å; A489-G493 VanDerWaalsContact O-CA 3.23Å; A489-G493 WeakPolarHBondContact O-CA 3.45Å; A489-G493 PolarHBondContact O-N 2.81Å; A489-V562 HydrophobicContact CB-CG1 4.24Å
490	F	97.1	Very high	96	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-76.4	-46.8	178.2	-78.8	26.8	0	0	0	111.1	A486 I487 L488 L492 L494 F495 M550 V562 A564 M601 A604 I605	A486-F490 WeakPolarHBondContact O-CD1 3.31Å; A486-F490 PolarHBondContact O-N 3.46Å; I487-F490 PolarHBondContact O-N 3.35Å; L488-F490 VanDerWaalsContact C-N 3.28Å; L488-F490 PolarHBondContact O-N 3.16Å; F490-L492 PolarHBondContact O-N 2.88Å; F490-L494 HydrophobicContact CB-CD1 4.13Å; F490-L494 HydrophobicContact CD1-CD1 3.77Å; F490-L494 HydrophobicContact CD1-CG 4.48Å; F490-L494 HydrophobicContact CD2-CD1 3.82Å; F490-L494 HydrophobicContact CE1-CD1 4.11Å; F490-L494 HydrophobicContact CE2-CD1 4.16Å; F490-L494 HydrophobicContact CG-CD1 3.62Å; F490-L494 HydrophobicContact CG-CG 4.45Å; F490-L494 HydrophobicContact CZ-CD1 4.31Å; F490-L494 WeakPolarHBondContact O-CA 3.08Å; F490-L494 WeakPolarHBondContact O-CB 2.96Å; F490-L494 PolarHBondContact O-N 3.42Å; F490-F495 HydrophobicContact CB-CE2 4.36Å; F490-F495 VanDerWaalsContact O-CD2 3.31Å; F490-F495 WeakPolarHBondContact O-CD2 2.88Å; F490-F495 PolarHBondContact O-N 3.11Å; F490-M550 HydrophobicContact CE1-CE 3.71Å; F490-M550 HydrophobicContact CE2-CE 4.19Å; F490-M550 HydrophobicContact CE2-SD 4.35Å; F490-M550 HydrophobicContact CZ-CE 3.37Å; F490-M550 HydrophobicContact CZ-SD 3.71Å; F490-V562 HydrophobicContact CD1-CG1 3.75Å; F490-V562 HydrophobicContact CE1-CG1 3.93Å; F490-A564 HydrophobicContact CE1-CB 3.72Å; F490-A564 HydrophobicContact CZ-CB 3.78Å; F490-M601 HydrophobicContact CD2-CB 4.11Å; F490-M601 HydrophobicContact CD2-CG 4.34Å; F490-M601 HydrophobicContact CE2-CB 3.95Å; F490-M601 HydrophobicContact CE2-CG 4.14Å; F490-A604 HydrophobicContact CE2-CB 3.98Å; F490-A604 HydrophobicContact CZ-CB 3.83Å; F490-I605 HydrophobicContact CB-CD1 4.41Å; F490-I605 HydrophobicContact CD1-CD1 4.2Å; F490-I605 HydrophobicContact CD2-CD1 3.57Å; F490-I605 HydrophobicContact CD2-CG1 3.66Å; F490-I605 HydrophobicContact CE1-CD1 4.36Å; F490-I605 HydrophobicContact CE2-CD1 3.75Å; F490-I605 HydrophobicContact CE2-CG1 3.8Å; F490-I605 HydrophobicContact CG-CD1 3.81Å; F490-I605 HydrophobicContact CG-CG1 4.36Å; F490-I605 HydrophobicContact CZ-CD1 4.14Å
491	M	95.9	Very high	95.7	Very high	4 Å²	4	24 Å²	24	2%	0.02	13%	0.125	C	C	.	.	H	α-helix	trans	-56.8	-49.3	177.3	-70.9	161.8	71.3	0	0	111.6	I487 L488 F495 H496 M497 C502 L505	I487-M491 HydrophobicContact CG2-SD 3.56Å; I487-M491 VanDerWaalsContact CG2-SD 3.56Å; I487-M491 WeakPolarHBondContact O-CG 3.45Å; I487-M491 PolarHBondContact O-N 2.66Å; L488-M491 PolarHBondContact O-N 2.89Å; M491-F495 CarbonylContact O-C 3.55Å; M491-H496 PolarHBondContact O-N 3.08Å; M491-M497 HydrophobicContact CB-CB 4.46Å; M491-M497 HydrophobicContact CB-SD 4.34Å; M491-M497 HydrophobicContact CE-SD 3.79Å; M491-M497 HydrophobicContact CG-SD 4.45Å; M491-M497 VanDerWaalsContact O-CB 3.3Å; M491-M497 WeakPolarHBondContact O-CB 3.35Å; M491-M497 PolarHBondContact O-N 2.91Å; M491-C502 HydrophobicContact CE-CB 4.11Å; M491-C502 VanDerWaalsContact CE-O 3.28Å; M491-C502 WeakPolarHBondContact CE-O 3.33Å; M491-C502 WeakPolarHBondContact CE-SG 3.47Å; M491-L505 HydrophobicContact CE-CB 4Å; M491-L505 HydrophobicContact CE-CD2 3.73Å; M491-L505 HydrophobicContact CE-CG 3.86Å
492	L	96.5	Very high	95.5	Very high	3 Å²	3	24 Å²	24	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-83.1	-30.8	-175.7	-58.5	173.6	0	0	0	113.5	L458 L461 V472 L488 F490 M497 L499 C502	L458-L492 HydrophobicContact CD2-CD1 4.31Å; L461-L492 HydrophobicContact CD1-CD1 3.54Å; V472-L492 HydrophobicContact CB-CB 4.32Å; V472-L492 HydrophobicContact CG1-CB 4.28Å; V472-L492 HydrophobicContact CG2-CD1 4.49Å; L488-L492 WeakPolarHBondContact O-CB 3.25Å; L488-L492 VanDerWaalsContact O-CG 3.28Å; L488-L492 WeakPolarHBondContact O-CG 3.45Å; L488-L492 PolarHBondContact O-N 3.26Å; F490-L492 PolarHBondContact O-N 2.88Å; L492-M497 WeakPolarHBondContact CD2-O 3.4Å; L492-L499 HydrophobicContact CD1-CD2 4.12Å; L492-L499 HydrophobicContact CD2-CD2 3.68Å; L492-L499 HydrophobicContact CD2-CG 4.29Å; L492-C502 HydrophobicContact CD2-CB 3.99Å
493	G	96.2	Very high	95.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-100.2	-33.4	-172.8	0	0	0	0	0	115.7	A489 H496 P560	A489-G493 VanDerWaalsContact O-CA 3.23Å; A489-G493 WeakPolarHBondContact O-CA 3.45Å; A489-G493 PolarHBondContact O-N 2.81Å; G493-H496 PolarHBondContact O-CD2 3.02Å; G493-H496 PolarHBondContact O-NE2 2.99Å; G493-P560 VanDerWaalsContact O-CD 3.32Å; G493-P560 WeakPolarHBondContact O-CD 3.28Å
494	L	95.5	Very high	95.1	Very high	14 Å²	14	30.9 Å²	30.9	7%	0.073	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-46.4	-179.7	-59.4	179.5	0	0	0	111.7	F490 M550 T553 V562 M601	F490-L494 HydrophobicContact CB-CD1 4.13Å; F490-L494 HydrophobicContact CD1-CD1 3.77Å; F490-L494 HydrophobicContact CD1-CG 4.48Å; F490-L494 HydrophobicContact CD2-CD1 3.82Å; F490-L494 HydrophobicContact CE1-CD1 4.11Å; F490-L494 HydrophobicContact CE2-CD1 4.16Å; F490-L494 HydrophobicContact CG-CD1 3.62Å; F490-L494 HydrophobicContact CG-CG 4.45Å; F490-L494 HydrophobicContact CZ-CD1 4.31Å; F490-L494 WeakPolarHBondContact O-CA 3.08Å; F490-L494 WeakPolarHBondContact O-CB 2.96Å; F490-L494 PolarHBondContact O-N 3.42Å; L494-M550 HydrophobicContact CD1-CE 4.23Å; L494-T553 HydrophobicContact CB-CG2 4.43Å; L494-T553 HydrophobicContact CD1-CG2 4.32Å; L494-T553 HydrophobicContact CD2-CG2 4.04Å; L494-V562 HydrophobicContact CD1-CG1 4.41Å; L494-V562 HydrophobicContact CD2-CB 3.7Å; L494-V562 HydrophobicContact CD2-CG1 4.29Å; L494-V562 HydrophobicContact CD2-CG2 3.57Å; L494-V562 HydrophobicContact CG-CB 4.1Å; L494-V562 HydrophobicContact CG-CG1 4.12Å; L494-V562 HydrophobicContact CG-CG2 4.06Å; L494-M601 HydrophobicContact CD1-CG 4.25Å; L494-M601 HydrophobicContact CD1-SD 3.76Å
495	F	94.3	Very high	94.9	Very high	83 Å²	83	32.1 Å²	32.1	36%	0.364	16%	0.161	S	C	.	.	S	Bend	trans	-87.9	-9.1	-179.9	-58	-72.4	0	0	0	113.4	F490 M491 M497 M545 M601	F490-F495 HydrophobicContact CB-CE2 4.36Å; F490-F495 VanDerWaalsContact O-CD2 3.31Å; F490-F495 WeakPolarHBondContact O-CD2 2.88Å; F490-F495 PolarHBondContact O-N 3.11Å; M491-F495 CarbonylContact O-C 3.55Å; F495-M497 PolarHBondContact O-N 3.47Å; F495-M545 HydrophobicContact CE2-SD 3.52Å; F495-M545 VanDerWaalsContact CE2-SD 3.52Å; F495-M545 HydrophobicContact CZ-CB 4.48Å; F495-M545 HydrophobicContact CZ-SD 4Å; F495-M601 HydrophobicContact CE1-CE 4.2Å; F495-M601 HydrophobicContact CE1-SD 4.36Å; F495-M601 HydrophobicContact CE2-SD 4.23Å; F495-M601 HydrophobicContact CZ-CE 3.87Å; F495-M601 HydrophobicContact CZ-SD 3.68Å
496	H	95.3	Very high	94.6	Very high	40 Å²	40	32.8 Å²	32.8	19%	0.185	16%	0.164	C	C	.	.			trans	55.4	28.5	-179.3	-57.8	165.2	0	0	0	114.1	H473 M491 G493 N556 T558	H473-H496 VanDerWaalsContact CB-CD2 3.47Å; H473-H496 WeakPolarHBondContact CB-CD2 3.36Å; H473-H496 AromaticContact CD2-CD2 3.92Å; H473-H496 AromaticContact CD2-CE1 3.92Å; H473-H496 AromaticContact CD2-NE2 3.83Å; H473-H496 AromaticContact CE1-CG 3.85Å; H473-H496 AromaticContact CG-CD2 3.43Å; H473-H496 VanDerWaalsContact CG-CD2 3.43Å; H473-H496 AromaticContact CG-CG 3.74Å; H473-H496 AromaticContact CG-NE2 3.74Å; H473-H496 AromaticContact ND1-CD2 3.71Å; H473-H496 AromaticContact ND1-CG 3.61Å; M491-H496 PolarHBondContact O-N 3.08Å; G493-H496 PolarHBondContact O-CD2 3.02Å; G493-H496 PolarHBondContact O-NE2 2.99Å; H496-N556 PolarHBondContact CE1-ND2 2.83Å; H496-T558 PolarHBondContact CE1-OG1 3.22Å
497	M	94.4	Very high	94.3	Very high	32 Å²	32	34.4 Å²	34.4	16%	0.158	17%	0.17	C	C	.	.			trans	-60	135.7	-174.6	-169.4	169.4	-84.9	0	0	111.8	M491 L492 F495 E501 C502 L505	M491-M497 HydrophobicContact CB-CB 4.46Å; M491-M497 HydrophobicContact CB-SD 4.34Å; M491-M497 HydrophobicContact CE-SD 3.79Å; M491-M497 HydrophobicContact CG-SD 4.45Å; M491-M497 VanDerWaalsContact O-CB 3.3Å; M491-M497 WeakPolarHBondContact O-CB 3.35Å; M491-M497 PolarHBondContact O-N 2.91Å; L492-M497 WeakPolarHBondContact CD2-O 3.4Å; F495-M497 PolarHBondContact O-N 3.47Å; M497-E501 HydrophobicContact CE-CG 4.22Å; M497-E501 HydrophobicContact CG-CB 3.92Å; M497-E501 HydrophobicContact CG-CG 3.93Å; M497-E501 HydrophobicContact SD-CB 4.41Å; M497-E501 HydrophobicContact SD-CG 4.01Å; M497-C502 HydrophobicContact CG-CB 4.08Å; M497-C502 HydrophobicContact SD-CB 4.09Å; M497-L505 HydrophobicContact CE-CD2 3.68Å; M497-L505 HydrophobicContact SD-CD2 3.86Å
498	P	94.1	Very high	93.9	Very high	77 Å²	77	39.4 Å²	39.4	50%	0.5	19%	0.191	S	C	.	.			trans	-56.5	150.6	168.2	-23.5	34.4	0	0	0	111.8	D500 E501 C502	P498-D500 VanDerWaalsContact C-N 3.29Å; P498-D500 PolarHBondContact O-N 2.88Å; P498-E501 WeakPolarHBondContact CD-OE2 3.44Å; P498-E501 PolarHBondContact O-N 2.72Å; P498-C502 WeakPolarHBondContact O-CB 3.25Å; P498-C502 PolarHBondContact O-N 3.28Å
499	L	94.4	Very high	93.3	Very high	18 Å²	18	40 Å²	40	9%	0.094	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-29.1	-175.5	-78.3	164.8	0	0	0	113.6	L458 L461 R462 V465 L492 E503	L458-L499 HydrophobicContact CD2-CD2 3.69Å; L461-L499 HydrophobicContact CB-CD1 4.19Å; L461-L499 HydrophobicContact CB-CD2 3.91Å; R462-L499 HydrophobicContact CB-CD1 4.42Å; R462-L499 HydrophobicContact CG-CB 4.12Å; R462-L499 HydrophobicContact CG-CD1 4.02Å; V465-L499 HydrophobicContact CB-CD1 4.07Å; V465-L499 HydrophobicContact CG2-CD1 3.62Å; L492-L499 HydrophobicContact CD1-CD2 4.12Å; L492-L499 HydrophobicContact CD2-CD2 3.68Å; L492-L499 HydrophobicContact CD2-CG 4.29Å; L499-E503 WeakPolarHBondContact O-CB 3.42Å; L499-E503 PolarHBondContact O-N 3.2Å
500	D	93.2	Very high	92.6	Very high	103 Å²	103	40.2 Å²	40.2	55%	0.551	20%	0.197	S	C	*	.	H	α-helix	trans	-68.4	-53.9	176.3	-62.9	-66.3	0	0	0	112.3	R462 P498 C502 E503 E504	R462-D500 IonicContact CZ-OD1 2.63Å; R462-D500 VanDerWaalsContact CZ-OD1 3.24Å; R462-D500 IonicContact NH1-OD1 2.97Å; R462-D500 PolarHBondContact NH1-OD1 3.46Å; R462-D500 IonicContact NH1-OD2 3.3Å; R462-D500 IonicContact NH2-OD1 3.93Å; R462-D500 PolarHBondContact NH2-OD1 2.76Å; P498-D500 VanDerWaalsContact C-N 3.29Å; P498-D500 PolarHBondContact O-N 2.88Å; D500-C502 PolarHBondContact O-N 2.97Å; D500-E503 PolarHBondContact O-N 3.29Å; D500-E503 VanDerWaalsContact O-N 3.08Å; D500-E504 PolarHBondContact O-N 2.75Å
501	E	93.7	Very high	91.9	Very high	101 Å²	101	42.5 Å²	42.5	47%	0.472	21%	0.213	S	C	.	.	H	α-helix	trans	-58.4	-38.7	173.5	-172.6	-174	172.1	0	0	111.1	M497 P498 E503 L505	M497-E501 HydrophobicContact CE-CG 4.22Å; M497-E501 HydrophobicContact CG-CB 3.92Å; M497-E501 HydrophobicContact CG-CG 3.93Å; M497-E501 HydrophobicContact SD-CB 4.41Å; M497-E501 HydrophobicContact SD-CG 4.01Å; P498-E501 WeakPolarHBondContact CD-OE2 3.44Å; P498-E501 PolarHBondContact O-N 2.72Å; E501-E503 PolarHBondContact O-N 2.79Å; E501-L505 WeakPolarHBondContact O-CB 3.43Å; E501-L505 PolarHBondContact O-N 3.16Å
502	C	93.6	Very high	91.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-40.8	175.4	-174.3	0	0	0	0	112.1	M491 L492 M497 P498 D500 Y506	M491-C502 HydrophobicContact CE-CB 4.11Å; M491-C502 VanDerWaalsContact CE-O 3.28Å; M491-C502 WeakPolarHBondContact CE-O 3.33Å; M491-C502 WeakPolarHBondContact CE-SG 3.47Å; L492-C502 HydrophobicContact CD2-CB 3.99Å; M497-C502 HydrophobicContact CG-CB 4.08Å; M497-C502 HydrophobicContact SD-CB 4.09Å; P498-C502 WeakPolarHBondContact O-CB 3.25Å; P498-C502 PolarHBondContact O-N 3.28Å; D500-C502 PolarHBondContact O-N 2.97Å; C502-Y506 WeakPolarHBondContact O-CB 3.21Å; C502-Y506 PolarHBondContact O-N 3Å
503	E	92.3	Very high	90.2	Very high	10 Å²	10	46 Å²	46	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-72.5	-43.8	178.8	-166.6	177.1	153	0	0	112	L458 Q459 R462 L499 D500 E501 Y506 R507 Q731	L458-E503 HydrophobicContact CD1-CB 3.92Å; L458-E503 HydrophobicContact CD1-CG 3.96Å; Q459-E503 PolarHBondContact NE2-OE2 2.87Å; R462-E503 IonicContact CZ-OE2 3.24Å; R462-E503 VanDerWaalsContact CZ-OE2 3.27Å; R462-E503 IonicContact NE-OE2 2.75Å; R462-E503 PolarHBondContact NE-OE2 3.24Å; R462-E503 IonicContact NH2-OE2 3.88Å; R462-E503 PolarHBondContact NH2-OE2 2.84Å; L499-E503 WeakPolarHBondContact O-CB 3.42Å; L499-E503 PolarHBondContact O-N 3.2Å; D500-E503 PolarHBondContact O-N 3.29Å; D500-E503 VanDerWaalsContact O-N 3.08Å; E501-E503 PolarHBondContact O-N 2.79Å; E503-Y506 PolarHBondContact O-N 2.99Å; E503-R507 WeakPolarHBondContact O-CB 3.36Å; E503-R507 WeakPolarHBondContact O-CG 3.32Å; E503-R507 PolarHBondContact O-N 2.94Å; E503-R507 IonicContact OE1-CZ 3.19Å; E503-R507 IonicContact OE1-NE 3.87Å; E503-R507 PolarHBondContact OE1-NE 3.35Å; E503-R507 VanDerWaalsContact OE1-NE 3.16Å; E503-R507 IonicContact OE1-NH2 2.75Å; E503-R507 PolarHBondContact OE1-NH2 3.26Å; E503-Q731 PolarHBondContact OE1-NE2 3.09Å; E503-Q731 PolarHBondContact OE1-OE1 3.23Å
504	E	92.1	Very high	89.2	Confident	145 Å²	145	47.3 Å²	47.3	68%	0.678	24%	0.238	S	C	*	.	H	α-helix	trans	-60.6	-51.1	176.5	-174.9	-173.4	170	0	0	111.2	D500 Y506 R507 K508	D500-E504 PolarHBondContact O-N 2.75Å; E504-Y506 VanDerWaalsContact C-N 3.29Å; E504-Y506 PolarHBondContact O-N 2.98Å; E504-R507 PolarHBondContact O-N 2.99Å; E504-K508 WeakPolarHBondContact O-CB 3.11Å; E504-K508 PolarHBondContact O-N 3.48Å
505	L	89.9	Confident	87.7	Confident	33 Å²	33	50.9 Å²	50.9	17%	0.173	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-42.4	177	174.7	56.3	0	0	0	110.9	M491 M497 E501 K508 L509 R544	M491-L505 HydrophobicContact CE-CB 4Å; M491-L505 HydrophobicContact CE-CD2 3.73Å; M491-L505 HydrophobicContact CE-CG 3.86Å; M497-L505 HydrophobicContact CE-CD2 3.68Å; M497-L505 HydrophobicContact SD-CD2 3.86Å; E501-L505 WeakPolarHBondContact O-CB 3.43Å; E501-L505 PolarHBondContact O-N 3.16Å; L505-K508 PolarHBondContact O-N 3.23Å; L505-L509 HydrophobicContact CD1-CD1 4.15Å; L505-L509 HydrophobicContact CD1-CD2 4.47Å; L505-L509 HydrophobicContact CD1-CG 4.04Å; L505-L509 HydrophobicContact CG-CD1 4.07Å; L505-L509 HydrophobicContact CG-CG 4.42Å; L505-L509 WeakPolarHBondContact O-CB 3.14Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 2.73Å; L505-R544 VanDerWaalsContact CD1-NE 3.28Å
506	Y	90.2	Very high	85.9	Confident	14 Å²	14	49.1 Å²	49.1	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-41.1	-179.2	178.3	-101.3	0	0	0	113.1	G451 T452 G454 V455 L458 T484 L488 C502 E503 E504 L509 G510	G451-Y506 PolarHBondContact O-OH 3.43Å; T452-Y506 VanDerWaalsContact C-OH 3.23Å; T452-Y506 WeakPolarHBondContact CA-OH 3.47Å; T452-Y506 WeakPolarHBondContact O-CE1 3.37Å; T452-Y506 PolarHBondContact O-OH 3.44Å; G454-Y506 WeakPolarHBondContact CA-OH 3.33Å; G454-Y506 PolarHBondContact N-OH 3.35Å; G454-Y506 VanDerWaalsContact N-OH 3.14Å; V455-Y506 HydrophobicContact CG1-CD1 3.97Å; V455-Y506 HydrophobicContact CG1-CE1 3.84Å; L458-Y506 HydrophobicContact CD1-CD1 4.37Å; T484-Y506 HydrophobicContact CG2-CE2 3.84Å; T484-Y506 WeakPolarHBondContact CG2-OH 3.4Å; L488-Y506 HydrophobicContact CD2-CD2 3.92Å; L488-Y506 HydrophobicContact CD2-CE2 4.33Å; L488-Y506 HydrophobicContact CD2-CG 4.18Å; C502-Y506 WeakPolarHBondContact O-CB 3.21Å; C502-Y506 PolarHBondContact O-N 3Å; E503-Y506 PolarHBondContact O-N 2.99Å; E504-Y506 VanDerWaalsContact C-N 3.29Å; E504-Y506 PolarHBondContact O-N 2.98Å; Y506-L509 PolarHBondContact O-N 2.72Å; Y506-G510 PolarHBondContact O-N 2.88Å
507	R	90.4	Very high	83.9	Confident	35 Å²	35	53.4 Å²	53.4	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-46.8	171.7	-74.7	169.5	171.9	-99.5	9.8	111.1	V455 E503 E504 L509 G510 S511 L727 D728	V455-R507 HydrophobicContact CG1-CG 4.45Å; E503-R507 WeakPolarHBondContact O-CB 3.36Å; E503-R507 WeakPolarHBondContact O-CG 3.32Å; E503-R507 PolarHBondContact O-N 2.94Å; E503-R507 IonicContact OE1-CZ 3.19Å; E503-R507 IonicContact OE1-NE 3.87Å; E503-R507 PolarHBondContact OE1-NE 3.35Å; E503-R507 VanDerWaalsContact OE1-NE 3.16Å; E503-R507 IonicContact OE1-NH2 2.75Å; E503-R507 PolarHBondContact OE1-NH2 3.26Å; E504-R507 PolarHBondContact O-N 2.99Å; R507-L509 PolarHBondContact O-N 3.16Å; R507-G510 WeakPolarHBondContact O-CA 3.3Å; R507-G510 PolarHBondContact O-N 3.02Å; R507-G510 VanDerWaalsContact O-N 3.07Å; R507-S511 PolarHBondContact O-N 2.88Å; R507-S511 PolarHBondContact O-OG 3.47Å; R507-L727 HydrophobicContact CG-CD1 4.31Å; R507-D728 IonicContact CZ-OD1 2.63Å; R507-D728 IonicContact NH1-OD1 2.66Å; R507-D728 PolarHBondContact NH1-OD1 3.07Å; R507-D728 IonicContact NH2-OD1 2.78Å; R507-D728 PolarHBondContact NH2-OD1 2.9Å
508	K	88.1	Confident	81.8	Confident	116 Å²	116	56.8 Å²	56.8	50%	0.504	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-42.9	176	-176.5	171.6	-177	173.1	0	112.5	E504 L505 G510 S511 D512	E504-K508 WeakPolarHBondContact O-CB 3.11Å; E504-K508 PolarHBondContact O-N 3.48Å; L505-K508 PolarHBondContact O-N 3.23Å; K508-G510 VanDerWaalsContact C-N 3.29Å; K508-G510 PolarHBondContact O-N 2.8Å; K508-S511 PolarHBondContact O-N 3.34Å; K508-D512 WeakPolarHBondContact O-CB 3.5Å; K508-D512 PolarHBondContact O-N 2.88Å
509	L	84.5	Confident	79.4	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-39	173.7	-70.1	169.5	0	0	0	111.4	L505 Y506 R507 D512 V513 W537 I540	L505-L509 HydrophobicContact CD1-CD1 4.15Å; L505-L509 HydrophobicContact CD1-CD2 4.47Å; L505-L509 HydrophobicContact CD1-CG 4.04Å; L505-L509 HydrophobicContact CG-CD1 4.07Å; L505-L509 HydrophobicContact CG-CG 4.42Å; L505-L509 WeakPolarHBondContact O-CB 3.14Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 2.73Å; Y506-L509 PolarHBondContact O-N 2.72Å; R507-L509 PolarHBondContact O-N 3.16Å; L509-D512 PolarHBondContact O-N 2.92Å; L509-V513 WeakPolarHBondContact O-CB 3.48Å; L509-V513 WeakPolarHBondContact O-CG2 3.2Å; L509-V513 PolarHBondContact O-N 3.25Å; L509-W537 HydrophobicContact CD2-CZ3 4.24Å; L509-I540 HydrophobicContact CD2-CG2 3.39Å
510	G	82.3	Confident	77.5	Confident	6 Å²	6	61.9 Å²	61.9	6%	0.062	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-46.9	172.4	0	0	0	0	0	112.6	Y506 R507 K508 F514	Y506-G510 PolarHBondContact O-N 2.88Å; R507-G510 WeakPolarHBondContact O-CA 3.3Å; R507-G510 PolarHBondContact O-N 3.02Å; R507-G510 VanDerWaalsContact O-N 3.07Å; K508-G510 VanDerWaalsContact C-N 3.29Å; K508-G510 PolarHBondContact O-N 2.8Å; G510-F514 WeakPolarHBondContact O-CB 3.42Å; G510-F514 VanDerWaalsContact O-CD2 3.22Å; G510-F514 WeakPolarHBondContact O-CD2 3.32Å; G510-F514 PolarHBondContact O-N 3.02Å
511	S	83.2	Confident	75.1	Confident	47 Å²	47	57 Å²	57	33%	0.329	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-49.4	175.8	-51.5	0	0	0	0	112.7	R507 K508 V513 S515	R507-S511 PolarHBondContact O-N 2.88Å; R507-S511 PolarHBondContact O-OG 3.47Å; K508-S511 PolarHBondContact O-N 3.34Å; S511-V513 VanDerWaalsContact C-N 3.3Å; S511-V513 PolarHBondContact O-N 3.46Å; S511-S515 VanDerWaalsContact O-CB 3.23Å; S511-S515 WeakPolarHBondContact O-CB 2.98Å; S511-S515 PolarHBondContact O-N 3.04Å; S511-S515 VanDerWaalsContact O-N 3.11Å; S511-S515 PolarHBondContact O-OG 3.41Å
512	D	80.5	Confident	73.2	Confident	63 Å²	63	56 Å²	56	34%	0.337	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-31.4	-177.2	-66.9	-15.7	0	0	0	112.6	K508 L509 S515 I540 R544	K508-D512 WeakPolarHBondContact O-CB 3.5Å; K508-D512 PolarHBondContact O-N 2.88Å; L509-D512 PolarHBondContact O-N 2.92Å; D512-S515 PolarHBondContact O-OG 3.22Å; D512-I540 HydrophobicContact CB-CD1 4.02Å; D512-R544 IonicContact OD2-NH2 2.75Å
513	V	76.5	Confident	71.1	Confident	18 Å²	18	60.1 Å²	60.1	11%	0.109	33%	0.327	C	S	.	.	H	α-helix	trans	-90.9	-38.3	-175.8	173.9	0	0	0	0	112.4	L509 S511 W537 I540 F615	L509-V513 WeakPolarHBondContact O-CB 3.48Å; L509-V513 WeakPolarHBondContact O-CG2 3.2Å; L509-V513 PolarHBondContact O-N 3.25Å; S511-V513 VanDerWaalsContact C-N 3.3Å; S511-V513 PolarHBondContact O-N 3.46Å; V513-W537 HydrophobicContact CG1-CE3 4.46Å; V513-W537 HydrophobicContact CG2-CD2 4.09Å; V513-W537 HydrophobicContact CG2-CE3 3.26Å; V513-W537 HydrophobicContact CG2-CH2 4.4Å; V513-W537 HydrophobicContact CG2-CZ3 3.45Å; V513-W537 VanDerWaalsContact CG2-CZ3 3.45Å; V513-I540 HydrophobicContact CG2-CD1 4.15Å; V513-F615 HydrophobicContact CG1-CE1 3.79Å; V513-F615 HydrophobicContact CG1-CZ 3.48Å; V513-F615 VanDerWaalsContact CG1-CZ 3.48Å
514	F	74.4	Confident	69.2	Low	28 Å²	28	62.9 Å²	62.9	12%	0.123	34%	0.339	C	S	.	.	H	α-helix	trans	-94.6	6.4	-178	-57.6	-59.9	0	0	0	113.5	T452 G510 Q516 Y532 F615 D720	T452-F514 HydrophobicContact CG2-CD2 3.64Å; T452-F514 HydrophobicContact CG2-CE2 3.43Å; T452-F514 VanDerWaalsContact CG2-CE2 3.43Å; G510-F514 WeakPolarHBondContact O-CB 3.42Å; G510-F514 VanDerWaalsContact O-CD2 3.22Å; G510-F514 WeakPolarHBondContact O-CD2 3.32Å; G510-F514 PolarHBondContact O-N 3.02Å; F514-Q516 PolarHBondContact O-N 3.08Å; F514-Y532 HydrophobicContact CB-CE1 3.99Å; F514-Y532 HydrophobicContact CD1-CD1 4.04Å; F514-Y532 AromaticContact CD1-CD2 3.93Å; F514-Y532 HydrophobicContact CD1-CD2 3.93Å; F514-Y532 AromaticContact CD1-CE1 3.77Å; F514-Y532 HydrophobicContact CD1-CE1 3.77Å; F514-Y532 AromaticContact CD1-CE2 3.65Å; F514-Y532 HydrophobicContact CD1-CE2 3.65Å; F514-Y532 HydrophobicContact CD1-CG 4.12Å; F514-Y532 AromaticContact CD1-CZ 3.55Å; F514-Y532 HydrophobicContact CE1-CD2 4.16Å; F514-Y532 HydrophobicContact CE1-CE2 4.09Å; F514-Y532 HydrophobicContact CG-CE1 4.39Å; F514-Y532 WeakPolarHBondContact O-CE1 3.47Å; F514-F615 HydrophobicContact CE1-CE2 4.12Å; F514-F615 AromaticContact CE1-CZ 3.76Å; F514-F615 HydrophobicContact CE1-CZ 3.76Å; F514-F615 HydrophobicContact CZ-CE2 4.45Å; F514-F615 HydrophobicContact CZ-CZ 4.27Å; F514-D720 HydrophobicContact CD1-CB 3.82Å; F514-D720 HydrophobicContact CE1-CB 4.01Å; F514-D720 HydrophobicContact CG-CB 4.15Å
515	S	63.5	Low	67.4	Low	88 Å²	88	59.1 Å²	59.1	62%	0.615	32%	0.322	S	S	*	.			trans	-75.8	81.4	169.1	61.6	0	0	0	0	112.2	S511 D512	S511-S515 VanDerWaalsContact O-CB 3.23Å; S511-S515 WeakPolarHBondContact O-CB 2.98Å; S511-S515 PolarHBondContact O-N 3.04Å; S511-S515 VanDerWaalsContact O-N 3.11Å; S511-S515 PolarHBondContact O-OG 3.41Å; D512-S515 PolarHBondContact O-OG 3.22Å
516	Q	57.4	Low	65.3	Low	47 Å²	47	61.8 Å²	61.8	22%	0.22	34%	0.343	C	S	.	.			trans	-136	133.2	173	-162.6	120.4	44.3	0	0	112.4	F514 V518 Y532	F514-Q516 PolarHBondContact O-N 3.08Å; Q516-V518 PolarHBondContact O-N 3.3Å; Q516-Y532 HydrophobicContact CB-CD1 3.92Å; Q516-Y532 HydrophobicContact CB-CE1 4.07Å
517	N	52.5	Low	63	Low	129 Å²	129	71.8 Å²	71.8	69%	0.69	38%	0.381	S	S	*	.			trans	-63.8	126.5	177.5	-69.1	-23.4	0	0	0	111	I519 V520 G521	N517-I519 PolarHBondContact O-N 3.24Å; N517-V520 HydrophobicContact CB-CG2 4.26Å; N517-V520 WeakPolarHBondContact O-CB 3.3Å; N517-V520 PolarHBondContact O-N 2.71Å; N517-G521 PolarHBondContact O-N 2.91Å; N517-G521 VanDerWaalsContact O-N 3.14Å
518	V	51.8	Low	60.9	Low	103 Å²	103	73 Å²	73	62%	0.624	40%	0.395	S	S	*	.	H	α-helix	trans	-52.4	-34.6	-173.6	-175.8	0	0	0	0	113.6	Q516 G521 T522	Q516-V518 PolarHBondContact O-N 3.3Å; V518-G521 PolarHBondContact O-N 3.42Å; V518-T522 PolarHBondContact O-N 3.07Å; V518-T522 PolarHBondContact O-OG1 2.88Å
519	I	43.9	Very low	59.4	Low	140 Å²	140	74.3 Å²	74.3	72%	0.718	40%	0.403	S	S	*	.	H	α-helix	trans	-65	-43.9	177.2	-60.5	171.3	0	0	0	110.9	N517 T522 V523	N517-I519 PolarHBondContact O-N 3.24Å; I519-T522 PolarHBondContact O-N 2.93Å; I519-V523 WeakPolarHBondContact O-CG2 3.4Å; I519-V523 PolarHBondContact O-N 3.1Å; I519-V523 VanDerWaalsContact O-N 3.15Å
520	V	52.8	Low	58.2	Low	62 Å²	62	73.9 Å²	73.9	38%	0.376	40%	0.401	S	S	.	.	H	α-helix	trans	-68.4	-40.6	178.9	-179.1	0	0	0	0	110.7	N517 T522 V523 K524	N517-V520 HydrophobicContact CB-CG2 4.26Å; N517-V520 WeakPolarHBondContact O-CB 3.3Å; N517-V520 PolarHBondContact O-N 2.71Å; V520-T522 VanDerWaalsContact C-N 3.35Å; V520-T522 PolarHBondContact O-N 3.39Å; V520-V523 PolarHBondContact O-N 2.81Å; V520-K524 HydrophobicContact CG1-CD 4.33Å; V520-K524 HydrophobicContact CG1-CG 4.44Å; V520-K524 WeakPolarHBondContact O-CB 3.49Å; V520-K524 PolarHBondContact O-N 3.24Å
521	G	42.8	Very low	57.1	Low	0 Å²	0	75.8 Å²	75.8	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-62.1	-39.3	175.3	0	0	0	0	0	112.9	N517 V518 K524 M525 F531	N517-G521 PolarHBondContact O-N 2.91Å; N517-G521 VanDerWaalsContact O-N 3.14Å; V518-G521 PolarHBondContact O-N 3.42Å; G521-K524 PolarHBondContact O-N 2.87Å; G521-M525 VanDerWaalsContact O-CB 3.24Å; G521-M525 WeakPolarHBondContact O-CB 3.28Å; G521-M525 PolarHBondContact O-N 2.85Å; G521-F531 WeakPolarHBondContact CA-O 3.24Å
522	T	54.5	Low	56.5	Low	80 Å²	80	74.3 Å²	74.3	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-67.5	-39.5	177.7	-54.8	0	0	0	0	112.3	V518 I519 V520 S526	V518-T522 PolarHBondContact O-N 3.07Å; V518-T522 PolarHBondContact O-OG1 2.88Å; I519-T522 PolarHBondContact O-N 2.93Å; V520-T522 VanDerWaalsContact C-N 3.35Å; V520-T522 PolarHBondContact O-N 3.39Å; T522-S526 PolarHBondContact O-OG 3.44Å
523	V	49.7	Very low	56.3	Low	87 Å²	87	73.5 Å²	73.5	53%	0.527	39%	0.39	S	S	.	.	H	α-helix	trans	-68.6	-48.8	174.8	176.1	0	0	0	0	110.5	I519 V520 M525 S526	I519-V523 WeakPolarHBondContact O-CG2 3.4Å; I519-V523 PolarHBondContact O-N 3.1Å; I519-V523 VanDerWaalsContact O-N 3.15Å; V520-V523 PolarHBondContact O-N 2.81Å; V523-M525 PolarHBondContact O-N 2.86Å; V523-S526 WeakPolarHBondContact O-CB 3.07Å; V523-S526 PolarHBondContact O-N 2.83Å; V523-S526 VanDerWaalsContact O-N 3.09Å
524	K	52.1	Low	56.3	Low	69 Å²	69	73.3 Å²	73.3	30%	0.3	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-39.9	178.8	-76.9	-169.3	175.6	-170.7	0	112.8	V520 G521 S526 W527 S528 A530 D533	V520-K524 HydrophobicContact CG1-CD 4.33Å; V520-K524 HydrophobicContact CG1-CG 4.44Å; V520-K524 WeakPolarHBondContact O-CB 3.49Å; V520-K524 PolarHBondContact O-N 3.24Å; G521-K524 PolarHBondContact O-N 2.87Å; K524-S526 PolarHBondContact O-N 2.69Å; K524-S526 VanDerWaalsContact O-N 3.08Å; K524-W527 PolarHBondContact O-N 3.03Å; K524-S528 PolarHBondContact O-N 3.42Å; K524-S528 PolarHBondContact O-OG 3.23Å; K524-S528 VanDerWaalsContact O-OG 3.11Å; K524-A530 CarbonylContact C-O 3.56Å; K524-D533 IonicContact NZ-OD2 2.75Å; K524-D533 PolarHBondContact NZ-OD2 2.94Å
525	M	53.5	Low	56.7	Low	66 Å²	66	78.6 Å²	78.6	33%	0.325	42%	0.415	S	S	.	.	H	α-helix	trans	-52.4	-33.9	173.6	-177.8	67.4	66.4	0	0	113	G521 V523 H529 A530 F531 G613	G521-M525 VanDerWaalsContact O-CB 3.24Å; G521-M525 WeakPolarHBondContact O-CB 3.28Å; G521-M525 PolarHBondContact O-N 2.85Å; V523-M525 PolarHBondContact O-N 2.86Å; M525-H529 WeakPolarHBondContact O-CA 3.39Å; M525-H529 PolarHBondContact O-N 3.05Å; M525-H529 PolarHBondContact O-ND1 2.83Å; M525-A530 PolarHBondContact N-O 3.38Å; M525-F531 HydrophobicContact CE-CB 3.78Å; M525-F531 HydrophobicContact CE-CD2 4.14Å; M525-F531 HydrophobicContact CE-CG 4.48Å; M525-G613 WeakPolarHBondContact CE-O 3.45Å
526	S	47.7	Very low	57.6	Low	88 Å²	88	76.5 Å²	76.5	62%	0.615	40%	0.403	S	S	*	.	H	α-helix	trans	-77.2	-19.1	-179.9	-54.7	0	0	0	0	114.1	T522 V523 K524	T522-S526 PolarHBondContact O-OG 3.44Å; V523-S526 WeakPolarHBondContact O-CB 3.07Å; V523-S526 PolarHBondContact O-N 2.83Å; V523-S526 VanDerWaalsContact O-N 3.09Å; K524-S526 PolarHBondContact O-N 2.69Å; K524-S526 VanDerWaalsContact O-N 3.08Å
527	W	40.1	Very low	58.8	Low	224 Å²	224	74.8 Å²	74.8	85%	0.848	40%	0.395	S	S	*	.	H	α-helix	trans	-115.9	-31.2	-176.1	-71.4	93.9	0	0	0	114.3	K524	K524-W527 PolarHBondContact O-N 3.03Å
528	S	47.7	Very low	60.5	Low	60 Å²	60	70.8 Å²	70.8	42%	0.42	37%	0.372	S	S	.	.	H	α-helix	trans	-126.4	4.9	-176	66.5	0	0	0	0	114.3	K524 A530	K524-S528 PolarHBondContact O-N 3.42Å; K524-S528 PolarHBondContact O-OG 3.23Å; K524-S528 VanDerWaalsContact O-OG 3.11Å; S528-A530 PolarHBondContact O-N 2.84Å
529	H	55.5	Low	62.3	Low	144 Å²	144	69.5 Å²	69.5	67%	0.667	36%	0.361	S	S	*	.	S	Bend	trans	52.4	25.4	179.4	-58.1	-39	0	0	0	115.5	M525	M525-H529 WeakPolarHBondContact O-CA 3.39Å; M525-H529 PolarHBondContact O-N 3.05Å; M525-H529 PolarHBondContact O-ND1 2.83Å
530	A	59.4	Low	64.3	Low	2 Å²	2	64.1 Å²	64.1	2%	0.017	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-133.3	136.1	179.9	0	0	0	0	0	109.2	K524 M525 S528 A616	K524-A530 CarbonylContact C-O 3.56Å; M525-A530 PolarHBondContact N-O 3.38Å; S528-A530 PolarHBondContact O-N 2.84Å; A530-A616 HydrophobicContact CB-CB 4.08Å; A530-A616 VanDerWaalsContact CB-N 3.33Å
531	F	58.5	Low	66	Low	47 Å²	47	61.3 Å²	61.3	21%	0.206	32%	0.317	C	S	.	.	S	Bend	trans	-80	-37.2	177.7	-166.1	-91.5	0	0	0	112.2	G521 M525 G613 Y614	G521-F531 WeakPolarHBondContact CA-O 3.24Å; M525-F531 HydrophobicContact CE-CB 3.78Å; M525-F531 HydrophobicContact CE-CD2 4.14Å; M525-F531 HydrophobicContact CE-CG 4.48Å; F531-G613 WeakPolarHBondContact CB-O 3.24Å; F531-G613 PolarHBondContact N-O 3.19Å; F531-G613 VanDerWaalsContact N-O 3.13Å; F531-Y614 PolarHBondContact N-O 2.93Å; F531-Y614 VanDerWaalsContact N-O 3.13Å
532	Y	72.4	Confident	68.3	Low	16 Å²	16	67.6 Å²	67.6	6%	0.063	34%	0.34	C	S	.	.	S	Bend	trans	-106.3	150.7	-172.6	-66.3	-76.7	0	0	0	113.5	F514 Q516 S534 Y614 F615 D720	F514-Y532 HydrophobicContact CB-CE1 3.99Å; F514-Y532 HydrophobicContact CD1-CD1 4.04Å; F514-Y532 AromaticContact CD1-CD2 3.93Å; F514-Y532 HydrophobicContact CD1-CD2 3.93Å; F514-Y532 AromaticContact CD1-CE1 3.77Å; F514-Y532 HydrophobicContact CD1-CE1 3.77Å; F514-Y532 AromaticContact CD1-CE2 3.65Å; F514-Y532 HydrophobicContact CD1-CE2 3.65Å; F514-Y532 HydrophobicContact CD1-CG 4.12Å; F514-Y532 AromaticContact CD1-CZ 3.55Å; F514-Y532 HydrophobicContact CE1-CD2 4.16Å; F514-Y532 HydrophobicContact CE1-CE2 4.09Å; F514-Y532 HydrophobicContact CG-CE1 4.39Å; F514-Y532 WeakPolarHBondContact O-CE1 3.47Å; Q516-Y532 HydrophobicContact CB-CD1 3.92Å; Q516-Y532 HydrophobicContact CB-CE1 4.07Å; Y532-S534 PolarHBondContact O-N 3.13Å; Y532-Y614 AromaticContact CD2-CD1 3.94Å; Y532-Y614 HydrophobicContact CD2-CD1 3.94Å; Y532-Y614 AromaticContact CE2-CD1 3.7Å; Y532-Y614 HydrophobicContact CE2-CD1 3.7Å; Y532-Y614 HydrophobicContact CE2-CE1 4.15Å; Y532-Y614 PolarHBondContact N-O 3.44Å; Y532-F615 HydrophobicContact CG-CE1 4.4Å; Y532-D720 HydrophobicContact CE2-CB 4.13Å; Y532-D720 PolarHBondContact OH-OD2 2.96Å
533	D	74.6	Confident	70	Confident	45 Å²	45	70.2 Å²	70.2	24%	0.241	35%	0.351	C	S	.	.			trans	-70.5	101.7	-179.2	-157.2	-49.6	0	0	0	111.9	K524 Q535 A536 W537	K524-D533 IonicContact NZ-OD2 2.75Å; K524-D533 PolarHBondContact NZ-OD2 2.94Å; D533-Q535 PolarHBondContact O-N 2.82Å; D533-Q535 WeakPolarHBondContact OD1-CA 3.31Å; D533-Q535 WeakPolarHBondContact OD1-CB 3.25Å; D533-Q535 PolarHBondContact OD1-N 3.36Å; D533-A536 HydrophobicContact CB-CB 3.96Å; D533-A536 PolarHBondContact O-N 2.99Å; D533-A536 PolarHBondContact OD1-N 3.03Å; D533-A536 VanDerWaalsContact OD1-N 3.15Å; D533-W537 PolarHBondContact O-N 3.31Å; D533-W537 VanDerWaalsContact O-N 3.17Å
534	S	78	Confident	71.7	Confident	14 Å²	14	70.6 Å²	70.6	10%	0.098	34%	0.343	C	S	.	.	H	α-helix	trans	-68.9	-21.5	-179.7	-56.7	0	0	0	0	112.8	Y532 E538 A616	Y532-S534 PolarHBondContact O-N 3.13Å; S534-E538 WeakPolarHBondContact O-CG 3.28Å; S534-E538 PolarHBondContact O-N 2.86Å; S534-A616 PolarHBondContact OG-N 2.98Å
535	Q	81.4	Confident	73.3	Confident	139 Å²	139	67.9 Å²	67.9	65%	0.65	33%	0.332	S	S	*	.	H	α-helix	trans	-80.4	-37.3	177.6	-167	172.2	22.3	0	0	111.3	D533 W537 E538 N539	D533-Q535 PolarHBondContact O-N 2.82Å; D533-Q535 WeakPolarHBondContact OD1-CA 3.31Å; D533-Q535 WeakPolarHBondContact OD1-CB 3.25Å; D533-Q535 PolarHBondContact OD1-N 3.36Å; Q535-W537 VanDerWaalsContact C-N 3.32Å; Q535-E538 PolarHBondContact O-N 3.45Å; Q535-N539 VanDerWaalsContact O-CG 3.31Å; Q535-N539 PolarHBondContact O-N 3.42Å; Q535-N539 PolarHBondContact O-ND2 3.14Å
536	A	82.8	Confident	75	Confident	45 Å²	45	66.3 Å²	66.3	37%	0.372	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-45.2	168.8	0	0	0	0	0	111	D533 E538 N539 I540	D533-A536 HydrophobicContact CB-CB 3.96Å; D533-A536 PolarHBondContact O-N 2.99Å; D533-A536 PolarHBondContact OD1-N 3.03Å; D533-A536 VanDerWaalsContact OD1-N 3.15Å; A536-E538 PolarHBondContact O-N 3.15Å; A536-N539 PolarHBondContact O-N 3.01Å; A536-I540 WeakPolarHBondContact O-CG1 3.31Å; A536-I540 PolarHBondContact O-N 3.11Å
537	W	83.9	Confident	76.9	Confident	11 Å²	11	64.9 Å²	64.9	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-43.9	175.7	-178.9	-140.6	0	0	0	112.8	I487 L509 V513 D533 Q535 N539 I540 L541 I605 S609 F615	I487-W537 HydrophobicContact CD1-CH2 3.89Å; I487-W537 HydrophobicContact CD1-CZ2 3.84Å; L509-W537 HydrophobicContact CD2-CZ3 4.24Å; V513-W537 HydrophobicContact CG1-CE3 4.46Å; V513-W537 HydrophobicContact CG2-CD2 4.09Å; V513-W537 HydrophobicContact CG2-CE3 3.26Å; V513-W537 HydrophobicContact CG2-CH2 4.4Å; V513-W537 HydrophobicContact CG2-CZ3 3.45Å; V513-W537 VanDerWaalsContact CG2-CZ3 3.45Å; D533-W537 PolarHBondContact O-N 3.31Å; D533-W537 VanDerWaalsContact O-N 3.17Å; Q535-W537 VanDerWaalsContact C-N 3.32Å; W537-N539 VanDerWaalsContact C-N 3.35Å; W537-N539 PolarHBondContact O-N 3.39Å; W537-I540 HydrophobicContact CE3-CB 4.26Å; W537-I540 HydrophobicContact CE3-CG2 4.2Å; W537-I540 HydrophobicContact CZ3-CG2 4.07Å; W537-I540 PolarHBondContact O-N 3.37Å; W537-L541 HydrophobicContact CD2-CD1 3.84Å; W537-L541 HydrophobicContact CD2-CG 3.84Å; W537-L541 VanDerWaalsContact CE2-CD1 3.5Å; W537-L541 HydrophobicContact CE3-CD1 4.39Å; W537-L541 HydrophobicContact CE3-CD2 4.33Å; W537-L541 HydrophobicContact CE3-CG 3.87Å; W537-L541 HydrophobicContact CG-CD1 4.25Å; W537-L541 HydrophobicContact CH2-CD1 4.42Å; W537-L541 HydrophobicContact CH2-CD2 3.55Å; W537-L541 HydrophobicContact CH2-CG 3.97Å; W537-L541 HydrophobicContact CZ2-CD1 3.83Å; W537-L541 HydrophobicContact CZ2-CD2 3.7Å; W537-L541 HydrophobicContact CZ2-CG 3.89Å; W537-L541 HydrophobicContact CZ3-CD2 3.87Å; W537-L541 HydrophobicContact CZ3-CG 3.94Å; W537-L541 WeakPolarHBondContact O-CB 3.5Å; W537-L541 WeakPolarHBondContact O-CG 3.23Å; W537-L541 PolarHBondContact O-N 2.96Å; W537-I605 HydrophobicContact CZ2-CG2 4.09Å; W537-S609 PolarHBondContact NE1-OG 2.9Å; W537-F615 HydrophobicContact CB-CE1 4.42Å; W537-F615 HydrophobicContact CG-CE1 4.45Å
538	E	87.5	Confident	79.4	Confident	44 Å²	44	55.7 Å²	55.7	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-38.6	176.3	-79.2	176.6	-140.9	0	0	113.2	S534 Q535 A536 L541 R542 W602 R606	S534-E538 WeakPolarHBondContact O-CG 3.28Å; S534-E538 PolarHBondContact O-N 2.86Å; Q535-E538 PolarHBondContact O-N 3.45Å; A536-E538 PolarHBondContact O-N 3.15Å; E538-L541 PolarHBondContact O-N 3.08Å; E538-R542 WeakPolarHBondContact O-CB 3.44Å; E538-R542 WeakPolarHBondContact O-CD 3.21Å; E538-R542 WeakPolarHBondContact O-CG 3.09Å; E538-R542 PolarHBondContact O-N 2.9Å; E538-W602 HydrophobicContact CG-CZ3 4.33Å; E538-R606 HydrophobicContact CG-CG 3.7Å; E538-R606 IonicContact OE1-CZ 3.12Å; E538-R606 IonicContact OE1-NE 3.16Å; E538-R606 PolarHBondContact OE1-NE 3.01Å; E538-R606 IonicContact OE1-NH2 3.47Å; E538-R606 PolarHBondContact OE1-NH2 2.94Å
539	N	88.7	Confident	81.7	Confident	77 Å²	77	54 Å²	54	41%	0.412	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-50.1	175.8	-69.1	-23.1	0	0	0	111.2	Q535 A536 W537 L541 R542 D543	Q535-N539 VanDerWaalsContact O-CG 3.31Å; Q535-N539 PolarHBondContact O-N 3.42Å; Q535-N539 PolarHBondContact O-ND2 3.14Å; A536-N539 PolarHBondContact O-N 3.01Å; W537-N539 VanDerWaalsContact C-N 3.35Å; W537-N539 PolarHBondContact O-N 3.39Å; N539-L541 VanDerWaalsContact C-N 3.27Å; N539-L541 PolarHBondContact O-N 3.41Å; N539-R542 PolarHBondContact O-N 3.42Å; N539-R542 VanDerWaalsContact O-N 3.07Å; N539-D543 VanDerWaalsContact O-CG 3.3Å; N539-D543 PolarHBondContact O-N 3.5Å
540	I	87.4	Confident	83.7	Confident	27 Å²	27	47.2 Å²	47.2	14%	0.138	25%	0.249	C	C	.	.	H	α-helix	trans	-53.9	-45.3	175.6	-67.9	165	0	0	0	111	L509 D512 V513 A536 W537 D543 R544	L509-I540 HydrophobicContact CD2-CG2 3.39Å; D512-I540 HydrophobicContact CB-CD1 4.02Å; V513-I540 HydrophobicContact CG2-CD1 4.15Å; A536-I540 WeakPolarHBondContact O-CG1 3.31Å; A536-I540 PolarHBondContact O-N 3.11Å; W537-I540 HydrophobicContact CE3-CB 4.26Å; W537-I540 HydrophobicContact CE3-CG2 4.2Å; W537-I540 HydrophobicContact CZ3-CG2 4.07Å; W537-I540 PolarHBondContact O-N 3.37Å; I540-D543 PolarHBondContact O-N 2.79Å; I540-R544 HydrophobicContact CG2-CG 4.39Å; I540-R544 WeakPolarHBondContact O-CB 3.18Å; I540-R544 VanDerWaalsContact O-CG 3.27Å; I540-R544 WeakPolarHBondContact O-CG 3.48Å; I540-R544 PolarHBondContact O-N 3.48Å
541	L	88.2	Confident	85.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-38	178.5	-73.5	176.6	0	0	0	113.2	W537 E538 N539 M545 W602 I605 R606	W537-L541 HydrophobicContact CD2-CD1 3.84Å; W537-L541 HydrophobicContact CD2-CG 3.84Å; W537-L541 VanDerWaalsContact CE2-CD1 3.5Å; W537-L541 HydrophobicContact CE3-CD1 4.39Å; W537-L541 HydrophobicContact CE3-CD2 4.33Å; W537-L541 HydrophobicContact CE3-CG 3.87Å; W537-L541 HydrophobicContact CG-CD1 4.25Å; W537-L541 HydrophobicContact CH2-CD1 4.42Å; W537-L541 HydrophobicContact CH2-CD2 3.55Å; W537-L541 HydrophobicContact CH2-CG 3.97Å; W537-L541 HydrophobicContact CZ2-CD1 3.83Å; W537-L541 HydrophobicContact CZ2-CD2 3.7Å; W537-L541 HydrophobicContact CZ2-CG 3.89Å; W537-L541 HydrophobicContact CZ3-CD2 3.87Å; W537-L541 HydrophobicContact CZ3-CG 3.94Å; W537-L541 WeakPolarHBondContact O-CB 3.5Å; W537-L541 WeakPolarHBondContact O-CG 3.23Å; W537-L541 PolarHBondContact O-N 2.96Å; E538-L541 PolarHBondContact O-N 3.08Å; N539-L541 VanDerWaalsContact C-N 3.27Å; N539-L541 PolarHBondContact O-N 3.41Å; L541-M545 HydrophobicContact CD2-CE 4.14Å; L541-M545 HydrophobicContact CD2-CG 4.33Å; L541-M545 WeakPolarHBondContact O-CB 3.49Å; L541-M545 VanDerWaalsContact O-CG 3.26Å; L541-M545 WeakPolarHBondContact O-CG 3.49Å; L541-M545 PolarHBondContact O-N 2.89Å; L541-W602 HydrophobicContact CB-CB 3.86Å; L541-W602 WeakPolarHBondContact O-CB 3.22Å; L541-I605 HydrophobicContact CD1-CB 4.24Å; L541-I605 HydrophobicContact CD1-CG2 3.88Å; L541-I605 HydrophobicContact CD2-CB 4.11Å; L541-I605 HydrophobicContact CD2-CG2 3.53Å; L541-I605 HydrophobicContact CG-CG2 4.37Å; L541-R606 HydrophobicContact CD1-CB 3.8Å
542	R	91	Very high	87.3	Confident	133 Å²	133	48.2 Å²	48.2	50%	0.502	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-40.9	177.2	-73.7	167.4	105.8	-148.1	2.3	111.4	E538 N539 G546 W602	E538-R542 WeakPolarHBondContact O-CB 3.44Å; E538-R542 WeakPolarHBondContact O-CD 3.21Å; E538-R542 WeakPolarHBondContact O-CG 3.09Å; E538-R542 PolarHBondContact O-N 2.9Å; N539-R542 PolarHBondContact O-N 3.42Å; N539-R542 VanDerWaalsContact O-N 3.07Å; R542-G546 WeakPolarHBondContact O-CA 3.48Å; R542-G546 PolarHBondContact O-N 3.02Å; R542-W602 HydrophobicContact CG-CB 4.37Å; R542-W602 HydrophobicContact CG-CD2 3.5Å; R542-W602 VanDerWaalsContact CG-CD2 3.5Å; R542-W602 HydrophobicContact CG-CE3 3.81Å; R542-W602 HydrophobicContact CG-CG 3.77Å; R542-W602 HydrophobicContact CG-CH2 4.47Å; R542-W602 HydrophobicContact CG-CZ2 4.22Å; R542-W602 HydrophobicContact CG-CZ3 4.28Å
543	D	89.1	Confident	88.4	Confident	134 Å²	134	48.5 Å²	48.5	72%	0.717	26%	0.257	S	S	*	.	H	α-helix	trans	-69.1	-42.5	179	-64.2	-17.8	0	0	0	111.8	N539 I540	N539-D543 VanDerWaalsContact O-CG 3.3Å; N539-D543 PolarHBondContact O-N 3.5Å; I540-D543 PolarHBondContact O-N 2.79Å
544	R	86.3	Confident	89.5	Confident	95 Å²	95	46.8 Å²	46.8	36%	0.358	25%	0.25	S	C	.	.	H	α-helix	trans	-79.5	-38.4	-178.6	-64.3	-60.5	-144.3	-57.9	-11.4	114.1	L505 D512 I540	L505-R544 VanDerWaalsContact CD1-NE 3.28Å; D512-R544 IonicContact OD2-NH2 2.75Å; I540-R544 HydrophobicContact CG2-CG 4.39Å; I540-R544 WeakPolarHBondContact O-CB 3.18Å; I540-R544 VanDerWaalsContact O-CG 3.27Å; I540-R544 WeakPolarHBondContact O-CG 3.48Å; I540-R544 PolarHBondContact O-N 3.48Å
545	M	86.6	Confident	90.3	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.059	26%	0.259	C	S	.	.	H	α-helix	trans	-97.8	-12.9	-173.3	-52.5	-72.8	172.5	0	0	113.2	F495 L541 M601 W602 I605	F495-M545 HydrophobicContact CE2-SD 3.52Å; F495-M545 VanDerWaalsContact CE2-SD 3.52Å; F495-M545 HydrophobicContact CZ-CB 4.48Å; F495-M545 HydrophobicContact CZ-SD 4Å; L541-M545 HydrophobicContact CD2-CE 4.14Å; L541-M545 HydrophobicContact CD2-CG 4.33Å; L541-M545 WeakPolarHBondContact O-CB 3.49Å; L541-M545 VanDerWaalsContact O-CG 3.26Å; L541-M545 WeakPolarHBondContact O-CG 3.49Å; L541-M545 PolarHBondContact O-N 2.89Å; M545-M601 HydrophobicContact CB-CB 4.1Å; M545-M601 WeakPolarHBondContact O-CE 3.4Å; M545-W602 HydrophobicContact CB-CB 4.1Å; M545-W602 HydrophobicContact CG-CB 4.46Å; M545-I605 HydrophobicContact CE-CG1 4.38Å
546	G	87.4	Confident	91	Very high	33 Å²	33	46.2 Å²	46.2	34%	0.34	24%	0.244	S	C	.	.			trans	69.4	-168.7	179.9	0	0	0	0	0	114.7	R542	R542-G546 WeakPolarHBondContact O-CA 3.48Å; R542-G546 PolarHBondContact O-N 3.02Å
547	S	89.6	Confident	91.4	Very high	59 Å²	59	48.3 Å²	48.3	41%	0.413	25%	0.254	S	S	.	.	S	Bend	trans	-103.2	-3.5	-171.6	59.6	0	0	0	0	115.5	K600	S547-K600 WeakPolarHBondContact O-CD 3.49Å; S547-K600 WeakPolarHBondContact O-CE 3.38Å; S547-K600 WeakPolarHBondContact O-CG 3.34Å
548	A	92.1	Very high	91.8	Very high	30 Å²	30	50.7 Å²	50.7	25%	0.248	27%	0.27	C	S	.	.			trans	-66.7	147.1	-178.3	0	0	0	0	0	112.8	E552 K600 M601	A548-E552 WeakPolarHBondContact CB-OE2 3.49Å; A548-K600 WeakPolarHBondContact O-CA 3.04Å; A548-M601 HydrophobicContact CB-CE 4.05Å; A548-M601 PolarHBondContact O-N 3.49Å
549	L	95.9	Very high	92.2	Very high	26 Å²	26	49.4 Å²	49.4	14%	0.136	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-73.3	150.2	173.5	-57.2	179.2	0	0	0	110.9	L391 I551 E552 Y599 K600	L391-L549 HydrophobicContact CD1-CD1 4.12Å; L549-I551 HydrophobicContact CB-CG2 4.11Å; L549-I551 PolarHBondContact O-N 3.14Å; L549-E552 HydrophobicContact CB-CG 4.19Å; L549-E552 VanDerWaalsContact CB-OE1 3.26Å; L549-E552 WeakPolarHBondContact CB-OE1 3.41Å; L549-E552 VanDerWaalsContact CG-OE1 3.29Å; L549-E552 WeakPolarHBondContact CG-OE1 3.47Å; L549-E552 PolarHBondContact N-OE1 2.88Å; L549-E552 WeakPolarHBondContact O-CB 3.32Å; L549-E552 PolarHBondContact O-N 2.9Å; L549-E552 VanDerWaalsContact O-N 3.09Å; L549-Y599 CarbonylContact C-O 3.59Å; L549-Y599 WeakPolarHBondContact CA-O 3.36Å; L549-K600 HydrophobicContact CD2-CG 3.91Å
550	M	96.4	Very high	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-55.4	-37.5	176.6	-78.6	-155.8	73.1	0	0	112.8	F490 L494 E552 T553 F580 R581 N582 Y599 M601 A604	F490-M550 HydrophobicContact CE1-CE 3.71Å; F490-M550 HydrophobicContact CE2-CE 4.19Å; F490-M550 HydrophobicContact CE2-SD 4.35Å; F490-M550 HydrophobicContact CZ-CE 3.37Å; F490-M550 HydrophobicContact CZ-SD 3.71Å; L494-M550 HydrophobicContact CD1-CE 4.23Å; M550-E552 VanDerWaalsContact C-N 3.29Å; M550-E552 PolarHBondContact O-N 3.5Å; M550-T553 PolarHBondContact O-N 3.05Å; M550-T553 PolarHBondContact O-OG1 3.09Å; M550-F580 HydrophobicContact SD-CB 3.73Å; M550-R581 PolarHBondContact SD-N 3.35Å; M550-R581 VanDerWaalsContact SD-N 3.39Å; M550-N582 HydrophobicContact CE-CB 4.45Å; M550-N582 WeakPolarHBondContact O-CB 3.25Å; M550-Y599 PolarHBondContact N-O 3.4Å; M550-M601 HydrophobicContact CG-CG 4.03Å; M550-A604 HydrophobicContact SD-CB 3.93Å
551	I	96.9	Very high	93.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-63.9	-31.5	179.6	-164.1	57.5	0	0	0	113.4	L391 E426 A429 L430 L549 T553 A554 C597	L391-I551 HydrophobicContact CD1-CG2 4.23Å; L391-I551 HydrophobicContact CD2-CG2 4.1Å; E426-I551 HydrophobicContact CG-CG1 4.12Å; E426-I551 HydrophobicContact CG-CG2 4.49Å; A429-I551 HydrophobicContact CB-CD1 4.01Å; L430-I551 HydrophobicContact CB-CD1 4.19Å; L430-I551 HydrophobicContact CB-CG1 4.07Å; L430-I551 HydrophobicContact CD1-CG1 4.36Å; L549-I551 HydrophobicContact CB-CG2 4.11Å; L549-I551 PolarHBondContact O-N 3.14Å; I551-T553 PolarHBondContact O-N 3.38Å; I551-A554 VanDerWaalsContact O-CB 3.26Å; I551-A554 WeakPolarHBondContact O-CB 3.36Å; I551-A554 PolarHBondContact O-N 3.15Å; I551-C597 HydrophobicContact CB-CB 4.11Å; I551-C597 HydrophobicContact CD1-CB 4.2Å; I551-C597 PolarHBondContact N-O 3.31Å
552	E	96.8	Very high	93.6	Very high	70 Å²	70	46.2 Å²	46.2	33%	0.327	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-63.1	-26.2	-178.5	-67.1	168.4	-129.8	0	0	111.7	A548 L549 M550 A554 R555	A548-E552 WeakPolarHBondContact CB-OE2 3.49Å; L549-E552 HydrophobicContact CB-CG 4.19Å; L549-E552 VanDerWaalsContact CB-OE1 3.26Å; L549-E552 WeakPolarHBondContact CB-OE1 3.41Å; L549-E552 VanDerWaalsContact CG-OE1 3.29Å; L549-E552 WeakPolarHBondContact CG-OE1 3.47Å; L549-E552 PolarHBondContact N-OE1 2.88Å; L549-E552 WeakPolarHBondContact O-CB 3.32Å; L549-E552 PolarHBondContact O-N 2.9Å; L549-E552 VanDerWaalsContact O-N 3.09Å; M550-E552 VanDerWaalsContact C-N 3.29Å; M550-E552 PolarHBondContact O-N 3.5Å; E552-A554 PolarHBondContact O-N 2.67Å; E552-A554 VanDerWaalsContact O-N 3.15Å; E552-R555 WeakPolarHBondContact O-CB 3.42Å; E552-R555 VanDerWaalsContact O-CG 3.27Å; E552-R555 WeakPolarHBondContact O-CG 3.46Å; E552-R555 PolarHBondContact O-N 2.76Å
553	T	96.6	Very high	93.9	Very high	22 Å²	22	39.9 Å²	39.9	14%	0.135	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.5	175.6	67.4	0	0	0	0	112.8	L494 M550 I551 R555 N556 N582 M601	L494-T553 HydrophobicContact CB-CG2 4.43Å; L494-T553 HydrophobicContact CD1-CG2 4.32Å; L494-T553 HydrophobicContact CD2-CG2 4.04Å; M550-T553 PolarHBondContact O-N 3.05Å; M550-T553 PolarHBondContact O-OG1 3.09Å; I551-T553 PolarHBondContact O-N 3.38Å; T553-R555 PolarHBondContact O-N 3.26Å; T553-N556 WeakPolarHBondContact O-CB 3.47Å; T553-N556 PolarHBondContact O-N 3.44Å; T553-N556 VanDerWaalsContact O-N 3.11Å; T553-N582 WeakPolarHBondContact OG1-CB 3.4Å; T553-N582 PolarHBondContact OG1-ND2 3.47Å; T553-M601 HydrophobicContact CG2-CE 4.3Å; T553-M601 HydrophobicContact CG2-SD 3.75Å
554	A	96.3	Very high	94.4	Very high	10 Å²	10	33.5 Å²	33.5	8%	0.083	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-67.1	-10.7	172.9	0	0	0	0	0	113.7	R425 A429 I551 E552 N556	R425-A554 VanDerWaalsContact CB-O 3.24Å; R425-A554 WeakPolarHBondContact CB-O 3.4Å; A429-A554 HydrophobicContact CB-CB 3.57Å; I551-A554 VanDerWaalsContact O-CB 3.26Å; I551-A554 WeakPolarHBondContact O-CB 3.36Å; I551-A554 PolarHBondContact O-N 3.15Å; E552-A554 PolarHBondContact O-N 2.67Å; E552-A554 VanDerWaalsContact O-N 3.15Å; A554-N556 PolarHBondContact O-N 3.17Å
555	R	96.1	Very high	95	Very high	78 Å²	78	29 Å²	29	29%	0.294	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58.7	-29.5	167.9	-73.1	-168.6	178.7	-137.1	-4.7	111.9	E384 A422 R425 E426 E552 T553	E384-R555 IonicContact OE1-CZ 3.99Å; E384-R555 VanDerWaalsContact OE1-CZ 3.31Å; E384-R555 IonicContact OE1-NH1 3.27Å; E384-R555 PolarHBondContact OE1-NH1 2.87Å; E384-R555 IonicContact OE1-NH2 3.28Å; E384-R555 PolarHBondContact OE1-NH2 3.19Å; A422-R555 HydrophobicContact CB-CB 3.98Å; A422-R555 HydrophobicContact CB-CG 4.16Å; R425-R555 VanDerWaalsContact CZ-O 3.27Å; R425-R555 PolarHBondContact NE-O 3.01Å; R425-R555 PolarHBondContact NH2-O 3.49Å; E426-R555 HydrophobicContact CB-CG 4.06Å; E426-R555 IonicContact OE2-CZ 2.9Å; E426-R555 IonicContact OE2-NE 3.8Å; E426-R555 PolarHBondContact OE2-NE 3.42Å; E426-R555 IonicContact OE2-NH2 2.72Å; E426-R555 PolarHBondContact OE2-NH2 3.07Å; E552-R555 WeakPolarHBondContact O-CB 3.42Å; E552-R555 VanDerWaalsContact O-CG 3.27Å; E552-R555 WeakPolarHBondContact O-CG 3.46Å; E552-R555 PolarHBondContact O-N 2.76Å; T553-R555 PolarHBondContact O-N 3.26Å
556	N	95	Very high	95.5	Very high	63 Å²	63	28.4 Å²	28.4	34%	0.337	17%	0.169	S	C	.	.	S	Bend	trans	-81.4	120.1	177.3	-175.7	-16.3	0	0	0	111.1	H496 T553 A554 T558 C559	H496-N556 PolarHBondContact CE1-ND2 2.83Å; T553-N556 WeakPolarHBondContact O-CB 3.47Å; T553-N556 PolarHBondContact O-N 3.44Å; T553-N556 VanDerWaalsContact O-N 3.11Å; A554-N556 PolarHBondContact O-N 3.17Å; N556-T558 VanDerWaalsContact C-N 3.31Å; N556-T558 PolarHBondContact O-N 3.24Å; N556-T558 PolarHBondContact OD1-N 2.88Å; N556-T558 VanDerWaalsContact OD1-N 3.1Å; N556-T558 PolarHBondContact OD1-OG1 3.07Å; N556-T558 VanDerWaalsContact OD1-OG1 3.05Å; N556-C559 HydrophobicContact CB-CB 4.03Å; N556-C559 WeakPolarHBondContact O-CB 3.46Å; N556-C559 PolarHBondContact O-N 2.81Å
557	P	92.5	Very high	95.9	Very high	89 Å²	89	26.8 Å²	26.8	58%	0.578	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.5	-176	29.6	-36.3	0	0	0	115.1
558	T	92.8	Very high	96.3	Very high	61 Å²	61	24 Å²	24	37%	0.374	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.7	178.9	58.3	0	0	0	0	113.2	K438 H496 N556	K438-T558 PolarHBondContact NZ-O 3.48Å; H496-T558 PolarHBondContact CE1-OG1 3.22Å; N556-T558 VanDerWaalsContact C-N 3.31Å; N556-T558 PolarHBondContact O-N 3.24Å; N556-T558 PolarHBondContact OD1-N 2.88Å; N556-T558 VanDerWaalsContact OD1-N 3.1Å; N556-T558 PolarHBondContact OD1-OG1 3.07Å; N556-T558 VanDerWaalsContact OD1-OG1 3.05Å
559	C	94.8	Very high	96.4	Very high	17 Å²	17	24.4 Å²	24.4	12%	0.115	13%	0.133	C	C	.	.			trans	-62.7	123.3	-176	-173.2	0	0	0	0	111.9	N556	N556-C559 HydrophobicContact CB-CB 4.03Å; N556-C559 WeakPolarHBondContact O-CB 3.46Å; N556-C559 PolarHBondContact O-N 2.81Å
560	P	97	Very high	96.2	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.026	15%	0.146	C	C	.	.			trans	-67.9	174.1	172.7	29.6	-36.6	0	0	0	112.1	H473 I479 G493 V562 N582	H473-P560 HydrophobicContact CB-CG 4.25Å; I479-P560 HydrophobicContact CD1-CB 4.46Å; I479-P560 HydrophobicContact CD1-CG 3.77Å; I479-P560 HydrophobicContact CG1-CB 4.44Å; I479-P560 HydrophobicContact CG1-CG 4.21Å; G493-P560 VanDerWaalsContact O-CD 3.32Å; G493-P560 WeakPolarHBondContact O-CD 3.28Å; P560-V562 HydrophobicContact CG-CG2 4Å; P560-V562 PolarHBondContact O-N 3.39Å; P560-N582 PolarHBondContact O-ND2 3.36Å
561	K	98.1	Very high	95.8	Very high	34 Å²	34	31.9 Å²	31.9	15%	0.148	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.4	167.7	-58.8	-49.6	-177.1	-171.6	0	108.7	D477 Y478 I479 N582 Y583 L646 W647	D477-K561 PolarHBondContact O-N 2.88Å; Y478-K561 CarbonylContact C-O 3.59Å; Y478-K561 VanDerWaalsContact CA-O 3.25Å; Y478-K561 WeakPolarHBondContact CA-O 3.39Å; Y478-K561 HydrophobicContact CD2-CB 3.68Å; Y478-K561 HydrophobicContact CE2-CB 4.25Å; Y478-K561 HydrophobicContact CG-CB 4.45Å; I479-K561 PolarHBondContact N-O 2.91Å; K561-N582 WeakPolarHBondContact CA-OD1 3.01Å; K561-Y583 HydrophobicContact CB-CD1 3.95Å; K561-Y583 HydrophobicContact CB-CE1 4.23Å; K561-Y583 HydrophobicContact CD-CD1 4.15Å; K561-Y583 HydrophobicContact CD-CG 4.42Å; K561-Y583 HydrophobicContact CG-CD1 4.37Å; K561-L646 HydrophobicContact CB-CD1 4.42Å; K561-L646 HydrophobicContact CG-CD1 4.21Å; K561-W647 HydrophobicContact CB-CH2 4.38Å; K561-W647 HydrophobicContact CG-CH2 3.76Å; K561-W647 HydrophobicContact CG-CZ2 4.28Å
562	V	98.5	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.5	-175.3	-174	0	0	0	0	110.1	I479 A489 F490 L494 P560 R581 N582	I479-V562 HydrophobicContact CB-CG2 4.39Å; I479-V562 CarbonylContact O-C 3.56Å; I479-V562 VanDerWaalsContact O-CA 3.3Å; I479-V562 WeakPolarHBondContact O-CA 3.45Å; A489-V562 HydrophobicContact CB-CG1 4.24Å; F490-V562 HydrophobicContact CD1-CG1 3.75Å; F490-V562 HydrophobicContact CE1-CG1 3.93Å; L494-V562 HydrophobicContact CD1-CG1 4.41Å; L494-V562 HydrophobicContact CD2-CB 3.7Å; L494-V562 HydrophobicContact CD2-CG1 4.29Å; L494-V562 HydrophobicContact CD2-CG2 3.57Å; L494-V562 HydrophobicContact CG-CB 4.1Å; L494-V562 HydrophobicContact CG-CG1 4.12Å; L494-V562 HydrophobicContact CG-CG2 4.06Å; P560-V562 HydrophobicContact CG-CG2 4Å; P560-V562 PolarHBondContact O-N 3.39Å; V562-R581 WeakPolarHBondContact O-CA 3.34Å; V562-N582 PolarHBondContact N-OD1 2.89Å; V562-N582 PolarHBondContact O-N 3.49Å; V562-N582 VanDerWaalsContact O-N 3.17Å; V562-N582 PolarHBondContact O-OD1 3.25Å
563	A	98.4	Very high	94.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144	176.8	0	0	0	0	0	113.6	Y478 I479 C480 G481 V579 F580 R581	Y478-A563 HydrophobicContact CE1-CB 4.44Å; Y478-A563 WeakPolarHBondContact OH-CB 3.22Å; I479-A563 PolarHBondContact O-N 3.06Å; C480-A563 WeakPolarHBondContact CA-O 3.19Å; G481-A563 PolarHBondContact N-O 2.97Å; A563-V579 HydrophobicContact CB-CG1 3.79Å; A563-F580 CarbonylContact C-O 3.6Å; A563-F580 WeakPolarHBondContact CA-O 3.39Å; A563-F580 WeakPolarHBondContact CB-O 3.32Å; A563-R581 HydrophobicContact CB-CB 4.4Å
564	A	98.4	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.5	170.1	0	0	0	0	0	109.7	G481 A486 F490 F580 A604	G481-A564 WeakPolarHBondContact O-CA 3.5Å; A486-A564 HydrophobicContact CB-CB 3.62Å; F490-A564 HydrophobicContact CE1-CB 3.72Å; F490-A564 HydrophobicContact CZ-CB 3.78Å; A564-F580 HydrophobicContact CB-CB 4.34Å; A564-F580 PolarHBondContact N-O 3.49Å; A564-F580 PolarHBondContact O-N 3.07Å; A564-A604 HydrophobicContact CB-CB 4.42Å
565	V	98.3	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.2	-175.2	-176.3	0	0	0	0	110.8	G481 V482 A577 F578 S608 G628 L632 P635 L638	G481-V565 PolarHBondContact O-N 3.18Å; V482-V565 HydrophobicContact CG2-CB 3.77Å; V482-V565 HydrophobicContact CG2-CG1 4.4Å; V482-V565 HydrophobicContact CG2-CG2 4.27Å; V565-A577 HydrophobicContact CG1-CB 4.41Å; V565-F578 WeakPolarHBondContact CA-O 3.22Å; V565-S608 PolarHBondContact O-OG 3.37Å; V565-S608 VanDerWaalsContact O-OG 3.08Å; V565-G628 WeakPolarHBondContact O-CA 3.5Å; V565-L632 HydrophobicContact CG1-CD1 4.38Å; V565-P635 HydrophobicContact CG2-CB 4.35Å; V565-L638 HydrophobicContact CG1-CD1 4.11Å; V565-L638 HydrophobicContact CG2-CD1 4.08Å; V565-L638 HydrophobicContact CG2-CD2 3.83Å
566	S	97.8	Very high	93.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	171.4	172.9	64.8	0	0	0	0	110.9	A577 F578 F580 H625	S566-A577 CarbonylContact O-C 3.45Å; S566-A577 WeakPolarHBondContact O-CA 3.39Å; S566-F578 PolarHBondContact N-O 3.42Å; S566-F578 PolarHBondContact O-N 2.91Å; S566-F578 PolarHBondContact OG-O 3.1Å; S566-F580 VanDerWaalsContact OG-CE2 3.28Å; S566-F580 WeakPolarHBondContact OG-CE2 3.47Å; S566-H625 PolarHBondContact OG-ND1 3.11Å
567	T	96.9	Very high	94	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.1	176.4	-60	0	0	0	0	110.2	V569 P575 H625 Q626 D627 L630 L631	T567-V569 HydrophobicContact CG2-CG1 4.13Å; T567-P575 HydrophobicContact CG2-CB 3.53Å; T567-H625 CarbonylContact O-C 3.58Å; T567-H625 WeakPolarHBondContact O-CA 3.35Å; T567-Q626 PolarHBondContact N-O 2.85Å; T567-Q626 PolarHBondContact O-N 2.86Å; T567-D627 WeakPolarHBondContact CB-O 3.36Å; T567-D627 PolarHBondContact OG1-O 2.94Å; T567-L630 HydrophobicContact CG2-CB 4.49Å; T567-L630 HydrophobicContact CG2-CD2 4.13Å; T567-L631 HydrophobicContact CG2-CD1 3.63Å; T567-L631 HydrophobicContact CG2-CG 3.79Å
568	I	96.4	Very high	94.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.7	168.2	-64.8	173.1	0	0	0	109.2	N570 R571 P575 K576 F578 L594 D623 L624	I568-N570 VanDerWaalsContact CG2-OD1 3.32Å; I568-N570 WeakPolarHBondContact CG2-OD1 3.46Å; I568-R571 HydrophobicContact CG2-CB 3.78Å; I568-R571 HydrophobicContact CG2-CG 3.75Å; I568-P575 CarbonylContact O-C 3.6Å; I568-P575 VanDerWaalsContact O-CA 3.25Å; I568-P575 WeakPolarHBondContact O-CA 3.34Å; I568-K576 PolarHBondContact N-O 3.49Å; I568-K576 PolarHBondContact O-N 2.99Å; I568-F578 HydrophobicContact CD1-CB 3.8Å; I568-F578 HydrophobicContact CD1-CD2 3.41Å; I568-F578 VanDerWaalsContact CD1-CD2 3.41Å; I568-F578 HydrophobicContact CD1-CE2 4.24Å; I568-F578 HydrophobicContact CD1-CG 3.86Å; I568-F578 HydrophobicContact CG1-CB 3.92Å; I568-F578 HydrophobicContact CG1-CD2 4.41Å; I568-F578 HydrophobicContact CG1-CG 4.4Å; I568-L594 HydrophobicContact CD1-CD1 4.44Å; I568-D623 HydrophobicContact CD1-CB 4.04Å; I568-D623 HydrophobicContact CG1-CB 4.36Å; I568-D623 HydrophobicContact CG2-CB 4.46Å; I568-L624 WeakPolarHBondContact CA-O 3.4Å
569	V	93.6	Very high	94.5	Very high	38 Å²	38	36.3 Å²	36.3	23%	0.23	20%	0.202	C	C	.	.	S	Bend	trans	-102.5	-16.1	-176.8	-63.5	0	0	0	0	114.4	T567 P575 L624 Q626 L630	T567-V569 HydrophobicContact CG2-CG1 4.13Å; V569-P575 HydrophobicContact CG1-CB 4.5Å; V569-L624 HydrophobicContact CG2-CB 4.13Å; V569-L624 HydrophobicContact CG2-CD2 4.13Å; V569-L624 HydrophobicContact CG2-CG 4Å; V569-L624 WeakPolarHBondContact CG2-O 3.22Å; V569-L624 PolarHBondContact N-O 2.92Å; V569-Q626 HydrophobicContact CG1-CB 4.13Å; V569-Q626 HydrophobicContact CG1-CG 3.89Å; V569-Q626 HydrophobicContact CG2-CG 4.33Å; V569-L630 HydrophobicContact CG1-CD2 4.41Å
570	N	93.4	Very high	94.7	Very high	78 Å²	78	35.5 Å²	35.5	42%	0.417	20%	0.197	S	C	.	.	S	Bend	trans	-102.1	5	-175.6	73.5	-20.7	0	0	0	115.5	I568 G572 N622 L624	I568-N570 VanDerWaalsContact CG2-OD1 3.32Å; I568-N570 WeakPolarHBondContact CG2-OD1 3.46Å; N570-G572 PolarHBondContact O-N 2.92Å; N570-N622 PolarHBondContact ND2-O 2.82Å; N570-L624 HydrophobicContact CB-CB 3.93Å; N570-L624 PolarHBondContact ND2-N 2.82Å; N570-L624 PolarHBondContact OD1-N 2.75Å
571	R	87.4	Confident	94.7	Very high	105 Å²	105	36.4 Å²	36.4	40%	0.396	20%	0.2	S	C	.	.	S	Bend	trans	-99.7	59.1	-176.5	-81.2	-167.6	174.8	-166.3	5.4	114.7	I568 K576 D623	I568-R571 HydrophobicContact CG2-CB 3.78Å; I568-R571 HydrophobicContact CG2-CG 3.75Å; R571-K576 WeakPolarHBondContact O-CE 3.32Å; R571-K576 PolarHBondContact O-NZ 2.67Å; R571-D623 VanDerWaalsContact CZ-CG 3.45Å; R571-D623 IonicContact CZ-OD1 3.43Å; R571-D623 IonicContact CZ-OD2 2.68Å; R571-D623 VanDerWaalsContact NE-CG 3.25Å; R571-D623 IonicContact NE-OD1 3.73Å; R571-D623 PolarHBondContact NE-OD1 3.24Å; R571-D623 IonicContact NE-OD2 2.71Å; R571-D623 PolarHBondContact NE-OD2 2.98Å; R571-D623 IonicContact NH1-OD2 3.73Å; R571-D623 IonicContact NH2-OD1 3.35Å; R571-D623 PolarHBondContact NH2-OD1 3.09Å; R571-D623 IonicContact NH2-OD2 3.72Å; R571-D623 PolarHBondContact NH2-OD2 3.15Å
572	G	84.7	Confident	94.6	Very high	56 Å²	56	34.9 Å²	34.9	58%	0.577	19%	0.193	S	C	*	.	S	Bend	trans	108	-164	178.8	0	0	0	0	0	112.1	N570	N570-G572 PolarHBondContact O-N 2.92Å
573	I	83.8	Confident	94.6	Very high	176 Å²	176	34.9 Å²	34.9	90%	0.903	19%	0.193	S	C	*	.	S	Bend	trans	-74.6	-36.1	-174.3	-56.1	173.1	0	0	0	111.8
574	T	88.2	Confident	94.4	Very high	93 Å²	93	35 Å²	35	57%	0.571	19%	0.194	S	C	*	.	S	Bend	trans	-103.8	137.3	-179.7	56.1	0	0	0	0	110.7
575	P	92.1	Very high	94.2	Very high	54 Å²	54	36.1 Å²	36.1	35%	0.351	20%	0.199	S	C	.	.			trans	-58.4	153.9	170.3	-21.8	33.1	0	0	0	111.6	T567 I568 V569 L631	T567-P575 HydrophobicContact CG2-CB 3.53Å; I568-P575 CarbonylContact O-C 3.6Å; I568-P575 VanDerWaalsContact O-CA 3.25Å; I568-P575 WeakPolarHBondContact O-CA 3.34Å; V569-P575 HydrophobicContact CG1-CB 4.5Å; P575-L631 HydrophobicContact CB-CD1 4.06Å; P575-L631 HydrophobicContact CB-CD2 4.32Å; P575-L631 HydrophobicContact CB-CG 4.39Å
576	K	94.7	Very high	93.9	Very high	88 Å²	88	37.8 Å²	37.8	38%	0.383	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.2	-176.4	-68.6	174.7	-178.3	159.8	0	111.3	I568 R571 L594	I568-K576 PolarHBondContact N-O 3.49Å; I568-K576 PolarHBondContact O-N 2.99Å; R571-K576 WeakPolarHBondContact O-CE 3.32Å; R571-K576 PolarHBondContact O-NZ 2.67Å; K576-L594 HydrophobicContact CB-CD1 4.49Å; K576-L594 HydrophobicContact CD-CD1 4.26Å
577	A	96.3	Very high	93.4	Very high	11 Å²	11	38.7 Å²	38.7	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.7	172.6	0	0	0	0	0	111.5	V565 S566 Y593 L632 L638	V565-A577 HydrophobicContact CG1-CB 4.41Å; S566-A577 CarbonylContact O-C 3.45Å; S566-A577 WeakPolarHBondContact O-CA 3.39Å; A577-Y593 HydrophobicContact CB-CD1 3.98Å; A577-Y593 HydrophobicContact CB-CE1 4.4Å; A577-L632 HydrophobicContact CB-CD1 3.5Å; A577-L632 VanDerWaalsContact CB-CD1 3.5Å; A577-L632 HydrophobicContact CB-CG 4.44Å; A577-L638 HydrophobicContact CB-CD1 4.43Å
578	F	97.6	Very high	92.8	Very high	7 Å²	7	41 Å²	41	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.7	177.3	-172	-83.3	0	0	0	111	V565 S566 I568 F580 L594 Y599 H625	V565-F578 WeakPolarHBondContact CA-O 3.22Å; S566-F578 PolarHBondContact N-O 3.42Å; S566-F578 PolarHBondContact O-N 2.91Å; S566-F578 PolarHBondContact OG-O 3.1Å; I568-F578 HydrophobicContact CD1-CB 3.8Å; I568-F578 HydrophobicContact CD1-CD2 3.41Å; I568-F578 VanDerWaalsContact CD1-CD2 3.41Å; I568-F578 HydrophobicContact CD1-CE2 4.24Å; I568-F578 HydrophobicContact CD1-CG 3.86Å; I568-F578 HydrophobicContact CG1-CB 3.92Å; I568-F578 HydrophobicContact CG1-CD2 4.41Å; I568-F578 HydrophobicContact CG1-CG 4.4Å; F578-F580 HydrophobicContact CD1-CD1 4.25Å; F578-F580 HydrophobicContact CD1-CD2 4.08Å; F578-F580 HydrophobicContact CD1-CE1 4Å; F578-F580 AromaticContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CD1-CG 4.28Å; F578-F580 AromaticContact CD1-CZ 3.79Å; F578-F580 HydrophobicContact CD1-CZ 3.79Å; F578-F580 AromaticContact CE1-CD1 3.77Å; F578-F580 HydrophobicContact CE1-CD1 3.77Å; F578-F580 HydrophobicContact CE1-CD2 4.42Å; F578-F580 AromaticContact CE1-CE1 3.57Å; F578-F580 HydrophobicContact CE1-CE1 3.57Å; F578-F580 HydrophobicContact CE1-CE2 4.27Å; F578-F580 HydrophobicContact CE1-CG 4.19Å; F578-F580 AromaticContact CE1-CZ 3.85Å; F578-F580 HydrophobicContact CE1-CZ 3.85Å; F578-L594 CarbonylContact C-O 3.44Å; F578-L594 VanDerWaalsContact CA-O 3.3Å; F578-L594 WeakPolarHBondContact CA-O 3.17Å; F578-L594 HydrophobicContact CD2-CB 3.58Å; F578-L594 HydrophobicContact CE2-CB 4.13Å; F578-Y599 HydrophobicContact CE1-CD2 4.43Å; F578-Y599 AromaticContact CE1-CE2 3.81Å; F578-Y599 HydrophobicContact CE1-CE2 3.81Å; F578-Y599 AromaticContact CZ-CE2 3.61Å; F578-Y599 HydrophobicContact CZ-CE2 3.61Å; F578-Y599 AromaticContact CZ-CZ 3.75Å; F578-Y599 WeakPolarHBondContact CZ-OH 3.24Å; F578-H625 AromaticContact CD1-CE1 3.79Å; F578-H625 AromaticContact CG-CE1 3.84Å
579	V	98.1	Very high	92.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	107.7	-172.3	-171.4	0	0	0	0	110.6	A563 R581 Y593 L594 G595 G596 L638	A563-V579 HydrophobicContact CB-CG1 3.79Å; V579-R581 HydrophobicContact CG1-CB 4.39Å; V579-Y593 HydrophobicContact CG2-CG 4.43Å; V579-L594 PolarHBondContact N-O 3.21Å; V579-G595 CarbonylContact O-C 3.48Å; V579-G595 WeakPolarHBondContact O-CA 3.46Å; V579-G596 PolarHBondContact O-N 2.81Å; V579-L638 HydrophobicContact CG2-CD1 3.82Å; V579-L638 HydrophobicContact CG2-CD2 3.97Å; V579-L638 HydrophobicContact CG2-CG 4.32Å
580	F	98.3	Very high	91.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.9	165.1	-60	-81.9	0	0	0	108.9	M550 A563 A564 S566 F578 Y599 A604 A607 L620 H625	M550-F580 HydrophobicContact SD-CB 3.73Å; A563-F580 CarbonylContact C-O 3.6Å; A563-F580 WeakPolarHBondContact CA-O 3.39Å; A563-F580 WeakPolarHBondContact CB-O 3.32Å; A564-F580 HydrophobicContact CB-CB 4.34Å; A564-F580 PolarHBondContact N-O 3.49Å; A564-F580 PolarHBondContact O-N 3.07Å; S566-F580 VanDerWaalsContact OG-CE2 3.28Å; S566-F580 WeakPolarHBondContact OG-CE2 3.47Å; F578-F580 HydrophobicContact CD1-CD1 4.25Å; F578-F580 HydrophobicContact CD1-CD2 4.08Å; F578-F580 HydrophobicContact CD1-CE1 4Å; F578-F580 AromaticContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CD1-CG 4.28Å; F578-F580 AromaticContact CD1-CZ 3.79Å; F578-F580 HydrophobicContact CD1-CZ 3.79Å; F578-F580 AromaticContact CE1-CD1 3.77Å; F578-F580 HydrophobicContact CE1-CD1 3.77Å; F578-F580 HydrophobicContact CE1-CD2 4.42Å; F578-F580 AromaticContact CE1-CE1 3.57Å; F578-F580 HydrophobicContact CE1-CE1 3.57Å; F578-F580 HydrophobicContact CE1-CE2 4.27Å; F578-F580 HydrophobicContact CE1-CG 4.19Å; F578-F580 AromaticContact CE1-CZ 3.85Å; F578-F580 HydrophobicContact CE1-CZ 3.85Å; F580-Y599 HydrophobicContact CD1-CD1 4.43Å; F580-Y599 AromaticContact CD1-CD2 3.56Å; F580-Y599 HydrophobicContact CD1-CD2 3.56Å; F580-Y599 HydrophobicContact CD1-CE2 4.23Å; F580-Y599 AromaticContact CD1-CG 3.68Å; F580-Y599 HydrophobicContact CD1-CG 3.68Å; F580-Y599 HydrophobicContact CE1-CD1 4Å; F580-Y599 AromaticContact CE1-CD2 3.84Å; F580-Y599 HydrophobicContact CE1-CD2 3.84Å; F580-Y599 HydrophobicContact CE1-CE1 4.36Å; F580-Y599 HydrophobicContact CE1-CE2 4.23Å; F580-Y599 AromaticContact CE1-CG 3.7Å; F580-Y599 HydrophobicContact CE1-CG 3.7Å; F580-A604 HydrophobicContact CB-CB 3.46Å; F580-A604 VanDerWaalsContact CB-CB 3.46Å; F580-A604 HydrophobicContact CD1-CB 3.89Å; F580-A604 HydrophobicContact CD2-CB 3.94Å; F580-A604 HydrophobicContact CG-CB 3.5Å; F580-A607 HydrophobicContact CE2-CB 3.51Å; F580-A607 HydrophobicContact CZ-CB 3.64Å; F580-L620 HydrophobicContact CE1-CD2 3.62Å; F580-L620 HydrophobicContact CZ-CD2 3.76Å; F580-H625 AromaticContact CZ-CE1 3.66Å; F580-H625 AromaticContact CZ-ND1 3.92Å
581	R	97.3	Very high	91.5	Very high	23 Å²	23	46.5 Å²	46.5	9%	0.087	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	150.9	-166.6	46.8	177.2	178.6	146.6	-16.2	114.3	M550 V562 A563 V579 Y583 H585 G596 C597	M550-R581 PolarHBondContact SD-N 3.35Å; M550-R581 VanDerWaalsContact SD-N 3.39Å; V562-R581 WeakPolarHBondContact O-CA 3.34Å; A563-R581 HydrophobicContact CB-CB 4.4Å; V579-R581 HydrophobicContact CG1-CB 4.39Å; R581-Y583 VanDerWaalsContact C-N 3.28Å; R581-Y583 HydrophobicContact CB-CD1 3.94Å; R581-Y583 HydrophobicContact CB-CE1 3.56Å; R581-Y583 HydrophobicContact CB-CE2 4.33Å; R581-Y583 HydrophobicContact CB-CG 4.44Å; R581-Y583 VanDerWaalsContact CD-CE2 3.46Å; R581-Y583 VanDerWaalsContact CD-O 3.25Å; R581-Y583 WeakPolarHBondContact CD-O 3.32Å; R581-Y583 HydrophobicContact CG-CE2 4.47Å; R581-Y583 WeakPolarHBondContact CG-O 3.23Å; R581-Y583 PolarHBondContact NE-O 2.92Å; R581-Y583 PolarHBondContact NH1-O 3.43Å; R581-Y583 PolarHBondContact O-N 3.17Å; R581-H585 VanDerWaalsContact CZ-ND1 3.33Å; R581-H585 PolarHBondContact NH1-CD2 2.84Å; R581-H585 PolarHBondContact NH1-CE1 2.89Å; R581-H585 VanDerWaalsContact NH1-CG 3.29Å; R581-H585 PolarHBondContact NH1-ND1 3.44Å; R581-H585 PolarHBondContact NH1-NE2 3.32Å; R581-H585 PolarHBondContact NH2-CE1 3.33Å; R581-H585 PolarHBondContact NH2-ND1 3.36Å; R581-G596 VanDerWaalsContact CG-O 3.3Å; R581-G596 WeakPolarHBondContact CG-O 3.3Å; R581-G596 PolarHBondContact N-O 2.96Å; R581-G596 VanDerWaalsContact N-O 3.13Å; R581-C597 WeakPolarHBondContact O-CA 3.34Å; R581-C597 WeakPolarHBondContact O-CB 3.49Å
582	N	97.5	Very high	91.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	29%	0.285	C	S	.	.	S	Bend	trans	-89.1	27.2	174.7	73.1	-11	0	0	0	114.6	M550 T553 P560 K561 V562	M550-N582 HydrophobicContact CE-CB 4.45Å; M550-N582 WeakPolarHBondContact O-CB 3.25Å; T553-N582 WeakPolarHBondContact OG1-CB 3.4Å; T553-N582 PolarHBondContact OG1-ND2 3.47Å; P560-N582 PolarHBondContact O-ND2 3.36Å; K561-N582 WeakPolarHBondContact CA-OD1 3.01Å; V562-N582 PolarHBondContact N-OD1 2.89Å; V562-N582 PolarHBondContact O-N 3.49Å; V562-N582 VanDerWaalsContact O-N 3.17Å; V562-N582 PolarHBondContact O-OD1 3.25Å
583	Y	96.9	Very high	92.1	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	27%	0.27	C	S	.	.			trans	-153.5	149.7	-177.8	60.9	-93.2	0	0	0	112	Y478 K561 R581 H585 E642 L646	Y478-Y583 AromaticContact CE2-CE1 3.66Å; Y478-Y583 HydrophobicContact CE2-CE1 3.66Å; Y478-Y583 AromaticContact CE2-CZ 3.78Å; Y478-Y583 WeakPolarHBondContact CE2-OH 3.31Å; Y478-Y583 PolarHBondContact OH-OH 2.96Å; K561-Y583 HydrophobicContact CB-CD1 3.95Å; K561-Y583 HydrophobicContact CB-CE1 4.23Å; K561-Y583 HydrophobicContact CD-CD1 4.15Å; K561-Y583 HydrophobicContact CD-CG 4.42Å; K561-Y583 HydrophobicContact CG-CD1 4.37Å; R581-Y583 VanDerWaalsContact C-N 3.28Å; R581-Y583 HydrophobicContact CB-CD1 3.94Å; R581-Y583 HydrophobicContact CB-CE1 3.56Å; R581-Y583 HydrophobicContact CB-CE2 4.33Å; R581-Y583 HydrophobicContact CB-CG 4.44Å; R581-Y583 VanDerWaalsContact CD-CE2 3.46Å; R581-Y583 VanDerWaalsContact CD-O 3.25Å; R581-Y583 WeakPolarHBondContact CD-O 3.32Å; R581-Y583 HydrophobicContact CG-CE2 4.47Å; R581-Y583 WeakPolarHBondContact CG-O 3.23Å; R581-Y583 PolarHBondContact NE-O 2.92Å; R581-Y583 PolarHBondContact NH1-O 3.43Å; R581-Y583 PolarHBondContact O-N 3.17Å; Y583-H585 AromaticContact CE2-NE2 3.85Å; Y583-E642 PolarHBondContact OH-OE2 3.01Å; Y583-L646 HydrophobicContact CD1-CD1 4.4Å; Y583-L646 HydrophobicContact CD2-CD1 3.99Å; Y583-L646 HydrophobicContact CD2-CD2 3.55Å; Y583-L646 HydrophobicContact CD2-CG 4.24Å; Y583-L646 HydrophobicContact CE1-CD1 4.31Å; Y583-L646 HydrophobicContact CE2-CD1 3.88Å; Y583-L646 HydrophobicContact CE2-CD2 3.89Å; Y583-L646 HydrophobicContact CE2-CG 4.15Å; Y583-L646 HydrophobicContact CG-CD1 4.27Å; Y583-L646 HydrophobicContact CG-CD2 4.26Å
584	G	94.9	Very high	92.6	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.021	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-87.7	165.7	163.4	0	0	0	0	0	111.8	A429 G432	A429-G584 PolarHBondContact O-N 3.06Å; G432-G584 VanDerWaalsContact CA-O 3.24Å; G432-G584 WeakPolarHBondContact CA-O 3.34Å
585	H	93.3	Very high	92.9	Very high	23 Å²	23	41.6 Å²	41.6	11%	0.106	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-93.2	151.7	163.3	-58.1	117.9	0	0	0	109.8	R581 Y583 N589 S591 E642	R581-H585 VanDerWaalsContact CZ-ND1 3.33Å; R581-H585 PolarHBondContact NH1-CD2 2.84Å; R581-H585 PolarHBondContact NH1-CE1 2.89Å; R581-H585 VanDerWaalsContact NH1-CG 3.29Å; R581-H585 PolarHBondContact NH1-ND1 3.44Å; R581-H585 PolarHBondContact NH1-NE2 3.32Å; R581-H585 PolarHBondContact NH2-CE1 3.33Å; R581-H585 PolarHBondContact NH2-ND1 3.36Å; Y583-H585 AromaticContact CE2-NE2 3.85Å; H585-N589 WeakPolarHBondContact CB-O 3.28Å; H585-S591 WeakPolarHBondContact CE1-CB 3.44Å; H585-E642 IonicContact CD2-OE2 2.7Å; H585-E642 IonicContact CE1-OE1 2.71Å; H585-E642 IonicContact CE1-OE2 3.43Å; H585-E642 PolarHBondContact CE1-OE2 3.08Å; H585-E642 VanDerWaalsContact CE1-OE2 3.28Å; H585-E642 IonicContact NE2-OE1 2.66Å; H585-E642 IonicContact NE2-OE2 2.7Å; H585-E642 PolarHBondContact NE2-OE2 2.95Å
586	F	91.9	Very high	92.9	Very high	36 Å²	36	39.3 Å²	39.3	16%	0.158	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62.3	136.6	175.7	-166.6	-96.2	0	0	0	110.7	V401 I406 G588 N589 L776 L782	V401-F586 HydrophobicContact CG1-CE1 4.48Å; V401-F586 HydrophobicContact CG1-CE2 4.38Å; V401-F586 HydrophobicContact CG1-CZ 3.74Å; V401-F586 HydrophobicContact CG2-CE2 4.31Å; V401-F586 HydrophobicContact CG2-CZ 4.38Å; I406-F586 HydrophobicContact CD1-CE2 3.7Å; F586-G588 PolarHBondContact O-N 3.49Å; F586-N589 WeakPolarHBondContact O-CB 3.41Å; F586-N589 PolarHBondContact O-N 2.97Å; F586-L776 HydrophobicContact CD2-CD1 4.44Å; F586-L776 HydrophobicContact CE2-CD1 3.37Å; F586-L776 HydrophobicContact CZ-CD1 3.53Å; F586-L782 HydrophobicContact CE1-CD1 4.45Å
587	P	89.2	Confident	92.9	Very high	19 Å²	19	35.4 Å²	35.4	12%	0.123	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	123.7	178.1	-33	39.5	0	0	0	112.9	K397 V401 I431 L782	K397-P587 HydrophobicContact CB-CG 3.76Å; V401-P587 HydrophobicContact CG2-CG 4.08Å; I431-P587 WeakPolarHBondContact O-CD 3.33Å; P587-L782 HydrophobicContact CB-CD2 3.62Å
588	G	84.3	Confident	92.8	Very high	49 Å²	49	38.8 Å²	38.8	51%	0.505	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.1	-23	-173.8	0	0	0	0	0	114.4	F586	F586-G588 PolarHBondContact O-N 3.49Å
589	N	85.7	Confident	92.8	Very high	68 Å²	68	40.1 Å²	40.1	36%	0.364	22%	0.218	S	C	.	.			trans	-93.4	95.6	170.9	-69.9	17.7	0	0	0	109	H585 F586 C645	H585-N589 WeakPolarHBondContact CB-O 3.28Å; F586-N589 WeakPolarHBondContact O-CB 3.41Å; F586-N589 PolarHBondContact O-N 2.97Å; N589-C645 PolarHBondContact ND2-O 3.08Å
590	N	79.6	Confident	92.7	Very high	141 Å²	141	42.1 Å²	42.1	75%	0.754	23%	0.226	S	C	*	.			trans	-93.5	135.3	175.2	-63.6	-27.6	0	0	0	110.3
591	S	90.1	Very high	92.6	Very high	21 Å²	21	42.5 Å²	42.5	15%	0.147	23%	0.228	C	C	.	.			trans	-71.9	150.3	166.3	175.1	0	0	0	0	111.4	H585 Y593 H641 E642	H585-S591 WeakPolarHBondContact CE1-CB 3.44Å; S591-Y593 PolarHBondContact O-N 3.39Å; S591-Y593 PolarHBondContact OG-N 2.98Å; S591-H641 PolarHBondContact OG-CE1 2.88Å; S591-E642 WeakPolarHBondContact CB-OE1 3.47Å; S591-E642 PolarHBondContact OG-OE1 3.13Å
592	H	90.6	Very high	92.5	Very high	171 Å²	171	42.5 Å²	42.5	79%	0.792	23%	0.228	S	C	*	.	S	Bend	trans	-67.4	-22.7	167.5	-79.8	-70.6	0	0	0	113	H641	H592-H641 AromaticContact CD2-NE2 3.41Å; H592-H641 PolarHBondContact CD2-NE2 3.1Å; H592-H641 AromaticContact CG-NE2 3.96Å; H592-H641 PolarHBondContact N-CE1 3.46Å
593	Y	93.8	Very high	92.5	Very high	66 Å²	66	44 Å²	44	26%	0.259	24%	0.235	S	C	.	.	S	Bend	trans	-92.2	143.5	178.4	-56.4	-72.8	0	0	0	111.3	A577 V579 S591 L632 L638 H641	A577-Y593 HydrophobicContact CB-CD1 3.98Å; A577-Y593 HydrophobicContact CB-CE1 4.4Å; V579-Y593 HydrophobicContact CG2-CG 4.43Å; S591-Y593 PolarHBondContact O-N 3.39Å; S591-Y593 PolarHBondContact OG-N 2.98Å; Y593-L632 HydrophobicContact CE1-CD1 4.16Å; Y593-L638 HydrophobicContact CD1-CD1 3.86Å; Y593-L638 HydrophobicContact CD2-CD1 3.91Å; Y593-L638 HydrophobicContact CD2-CG 3.79Å; Y593-L638 HydrophobicContact CE1-CD1 3.91Å; Y593-L638 HydrophobicContact CE1-CG 4.46Å; Y593-L638 HydrophobicContact CE2-CB 4.01Å; Y593-L638 HydrophobicContact CE2-CD1 3.98Å; Y593-L638 HydrophobicContact CE2-CG 3.67Å; Y593-L638 HydrophobicContact CG-CD1 3.84Å; Y593-L638 HydrophobicContact CG-CG 4.25Å; Y593-H641 AromaticContact CD2-ND1 3.67Å; Y593-H641 HydrophobicContact CE2-CB 4.03Å; Y593-H641 AromaticContact CE2-CG 3.75Å; Y593-H641 AromaticContact CE2-ND1 3.71Å
594	L	93.7	Very high	92.5	Very high	64 Å²	64	44 Å²	44	34%	0.335	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	150.5	168.9	-61.7	177.3	0	0	0	108.7	I568 K576 F578 V579	I568-L594 HydrophobicContact CD1-CD1 4.44Å; K576-L594 HydrophobicContact CB-CD1 4.49Å; K576-L594 HydrophobicContact CD-CD1 4.26Å; F578-L594 CarbonylContact C-O 3.44Å; F578-L594 VanDerWaalsContact CA-O 3.3Å; F578-L594 WeakPolarHBondContact CA-O 3.17Å; F578-L594 HydrophobicContact CD2-CB 3.58Å; F578-L594 HydrophobicContact CE2-CB 4.13Å; V579-L594 PolarHBondContact N-O 3.21Å
595	G	94.6	Very high	92.6	Very high	27 Å²	27	43.9 Å²	43.9	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	165.4	164.6	-180	0	0	0	0	0	114.5	V579	V579-G595 CarbonylContact O-C 3.48Å; V579-G595 WeakPolarHBondContact O-CA 3.46Å
596	G	93.4	Very high	92.7	Very high	6 Å²	6	43 Å²	43	6%	0.062	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	171.7	-176.1	0	0	0	0	0	113.8	V579 R581	V579-G596 PolarHBondContact O-N 2.81Å; R581-G596 VanDerWaalsContact CG-O 3.3Å; R581-G596 WeakPolarHBondContact CG-O 3.3Å; R581-G596 PolarHBondContact N-O 2.96Å; R581-G596 VanDerWaalsContact N-O 3.13Å
597	C	94.9	Very high	92.9	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.034	22%	0.222	C	C	.	.	S	Bend	trans	-119.4	-0.8	-174.9	64.1	0	0	0	0	113.9	L430 I551 R581 Y599	L430-C597 VanDerWaalsContact CD1-SG 3.57Å; I551-C597 HydrophobicContact CB-CB 4.11Å; I551-C597 HydrophobicContact CD1-CB 4.2Å; I551-C597 PolarHBondContact N-O 3.31Å; R581-C597 WeakPolarHBondContact O-CA 3.34Å; R581-C597 WeakPolarHBondContact O-CB 3.49Å; C597-Y599 PolarHBondContact O-N 3.01Å
598	Q	93.8	Very high	93.2	Very high	82 Å²	82	40.4 Å²	40.4	38%	0.383	22%	0.216	S	C	.	.			trans	-84.6	15	-178.9	74.6	-78.5	12.8	0	0	114.1	L391	L391-Q598 HydrophobicContact CD2-CB 3.99Å
599	Y	96.3	Very high	93.6	Very high	36 Å²	36	38.4 Å²	38.4	14%	0.141	19%	0.194	C	C	.	.	S	Bend	trans	-105.7	149	-175.2	-58.8	-76.9	0	0	0	111	L549 M550 F578 F580 C597 L620	L549-Y599 CarbonylContact C-O 3.59Å; L549-Y599 WeakPolarHBondContact CA-O 3.36Å; M550-Y599 PolarHBondContact N-O 3.4Å; F578-Y599 HydrophobicContact CE1-CD2 4.43Å; F578-Y599 AromaticContact CE1-CE2 3.81Å; F578-Y599 HydrophobicContact CE1-CE2 3.81Å; F578-Y599 AromaticContact CZ-CE2 3.61Å; F578-Y599 HydrophobicContact CZ-CE2 3.61Å; F578-Y599 AromaticContact CZ-CZ 3.75Å; F578-Y599 WeakPolarHBondContact CZ-OH 3.24Å; F580-Y599 HydrophobicContact CD1-CD1 4.43Å; F580-Y599 AromaticContact CD1-CD2 3.56Å; F580-Y599 HydrophobicContact CD1-CD2 3.56Å; F580-Y599 HydrophobicContact CD1-CE2 4.23Å; F580-Y599 AromaticContact CD1-CG 3.68Å; F580-Y599 HydrophobicContact CD1-CG 3.68Å; F580-Y599 HydrophobicContact CE1-CD1 4Å; F580-Y599 AromaticContact CE1-CD2 3.84Å; F580-Y599 HydrophobicContact CE1-CD2 3.84Å; F580-Y599 HydrophobicContact CE1-CE1 4.36Å; F580-Y599 HydrophobicContact CE1-CE2 4.23Å; F580-Y599 AromaticContact CE1-CG 3.7Å; F580-Y599 HydrophobicContact CE1-CG 3.7Å; C597-Y599 PolarHBondContact O-N 3.01Å; Y599-L620 HydrophobicContact CD1-CD1 4.38Å; Y599-L620 HydrophobicContact CD1-CD2 3.67Å; Y599-L620 HydrophobicContact CD1-CG 4.27Å; Y599-L620 HydrophobicContact CE1-CD1 4.48Å; Y599-L620 HydrophobicContact CE1-CD2 3.66Å; Y599-L620 HydrophobicContact CE1-CG 4.02Å
600	K	97	Very high	93.9	Very high	43 Å²	43	35.2 Å²	35.2	19%	0.187	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-75.4	148.5	174.5	-59.6	176.6	176.3	177.4	0	110.3	S547 A548 L549 W602 Q603 A604	S547-K600 WeakPolarHBondContact O-CD 3.49Å; S547-K600 WeakPolarHBondContact O-CE 3.38Å; S547-K600 WeakPolarHBondContact O-CG 3.34Å; A548-K600 WeakPolarHBondContact O-CA 3.04Å; L549-K600 HydrophobicContact CD2-CG 3.91Å; K600-W602 VanDerWaalsContact C-N 3.32Å; K600-W602 PolarHBondContact O-N 3.38Å; K600-Q603 HydrophobicContact CB-CG 4.07Å; K600-Q603 WeakPolarHBondContact O-CB 3.16Å; K600-Q603 PolarHBondContact O-N 2.87Å; K600-A604 PolarHBondContact O-N 2.97Å
601	M	95.9	Very high	94.3	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.044	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-42.1	-176.1	-72.5	178.7	-75.7	0	0	113	F490 L494 F495 M545 A548 M550 T553 Q603 A604 I605	F490-M601 HydrophobicContact CD2-CB 4.11Å; F490-M601 HydrophobicContact CD2-CG 4.34Å; F490-M601 HydrophobicContact CE2-CB 3.95Å; F490-M601 HydrophobicContact CE2-CG 4.14Å; L494-M601 HydrophobicContact CD1-CG 4.25Å; L494-M601 HydrophobicContact CD1-SD 3.76Å; F495-M601 HydrophobicContact CE1-CE 4.2Å; F495-M601 HydrophobicContact CE1-SD 4.36Å; F495-M601 HydrophobicContact CE2-SD 4.23Å; F495-M601 HydrophobicContact CZ-CE 3.87Å; F495-M601 HydrophobicContact CZ-SD 3.68Å; M545-M601 HydrophobicContact CB-CB 4.1Å; M545-M601 WeakPolarHBondContact O-CE 3.4Å; A548-M601 HydrophobicContact CB-CE 4.05Å; A548-M601 PolarHBondContact O-N 3.49Å; M550-M601 HydrophobicContact CG-CG 4.03Å; T553-M601 HydrophobicContact CG2-CE 4.3Å; T553-M601 HydrophobicContact CG2-SD 3.75Å; M601-Q603 VanDerWaalsContact C-N 3.29Å; M601-Q603 PolarHBondContact O-N 3.18Å; M601-A604 PolarHBondContact O-N 3.28Å; M601-I605 PolarHBondContact O-N 3.37Å
602	W	95.6	Very high	94	Very high	23 Å²	23	31 Å²	31	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-34.8	175.9	70.4	-92.1	0	0	0	113.5	E538 L541 R542 M545 K600 I605 R606 Y618	E538-W602 HydrophobicContact CG-CZ3 4.33Å; L541-W602 HydrophobicContact CB-CB 3.86Å; L541-W602 WeakPolarHBondContact O-CB 3.22Å; R542-W602 HydrophobicContact CG-CB 4.37Å; R542-W602 HydrophobicContact CG-CD2 3.5Å; R542-W602 VanDerWaalsContact CG-CD2 3.5Å; R542-W602 HydrophobicContact CG-CE3 3.81Å; R542-W602 HydrophobicContact CG-CG 3.77Å; R542-W602 HydrophobicContact CG-CH2 4.47Å; R542-W602 HydrophobicContact CG-CZ2 4.22Å; R542-W602 HydrophobicContact CG-CZ3 4.28Å; M545-W602 HydrophobicContact CB-CB 4.1Å; M545-W602 HydrophobicContact CG-CB 4.46Å; K600-W602 VanDerWaalsContact C-N 3.32Å; K600-W602 PolarHBondContact O-N 3.38Å; W602-I605 PolarHBondContact O-N 2.86Å; W602-R606 VanDerWaalsContact O-CB 3.22Å; W602-R606 WeakPolarHBondContact O-CB 3.28Å; W602-R606 PolarHBondContact O-N 3.44Å; W602-Y618 WeakPolarHBondContact CH2-OH 3.26Å; W602-Y618 HydrophobicContact CZ3-CE2 4.35Å; W602-Y618 WeakPolarHBondContact CZ3-OH 3.41Å
603	Q	96.8	Very high	93.4	Very high	33 Å²	33	24.4 Å²	24.4	15%	0.154	14%	0.137	C	C	.	.	H	α-helix	trans	-69.4	-41.2	179.4	-58.3	179.9	-71.1	0	0	111.1	K600 M601 R606 A607 Y618	K600-Q603 HydrophobicContact CB-CG 4.07Å; K600-Q603 WeakPolarHBondContact O-CB 3.16Å; K600-Q603 PolarHBondContact O-N 2.87Å; M601-Q603 VanDerWaalsContact C-N 3.29Å; M601-Q603 PolarHBondContact O-N 3.18Å; Q603-R606 PolarHBondContact O-N 3.37Å; Q603-A607 VanDerWaalsContact O-CB 3.26Å; Q603-A607 WeakPolarHBondContact O-CB 2.99Å; Q603-A607 PolarHBondContact O-N 3.06Å; Q603-Y618 HydrophobicContact CB-CE1 4.22Å; Q603-Y618 PolarHBondContact NE2-OH 3.49Å
604	A	97.4	Very high	92.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-44.3	176.6	0	0	0	0	0	111.5	F490 M550 A564 F580 K600 M601 S608	F490-A604 HydrophobicContact CE2-CB 3.98Å; F490-A604 HydrophobicContact CZ-CB 3.83Å; M550-A604 HydrophobicContact SD-CB 3.93Å; A564-A604 HydrophobicContact CB-CB 4.42Å; F580-A604 HydrophobicContact CB-CB 3.46Å; F580-A604 VanDerWaalsContact CB-CB 3.46Å; F580-A604 HydrophobicContact CD1-CB 3.89Å; F580-A604 HydrophobicContact CD2-CB 3.94Å; F580-A604 HydrophobicContact CG-CB 3.5Å; K600-A604 PolarHBondContact O-N 2.97Å; M601-A604 PolarHBondContact O-N 3.28Å; A604-S608 WeakPolarHBondContact O-CB 3.35Å; A604-S608 PolarHBondContact O-N 3.24Å
605	I	95.7	Very high	92.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-49	175.7	-62.7	-54.8	0	0	0	111.5	A486 I487 F490 W537 L541 M545 M601 W602 A607 S608 S609	A486-I605 VanDerWaalsContact C-CD1 3.45Å; A486-I605 HydrophobicContact CB-CD1 3.75Å; A486-I605 WeakPolarHBondContact O-CD1 3.42Å; I487-I605 HydrophobicContact CD1-CG2 4.29Å; I487-I605 HydrophobicContact CG1-CD1 4.36Å; I487-I605 HydrophobicContact CG1-CG2 3.62Å; F490-I605 HydrophobicContact CB-CD1 4.41Å; F490-I605 HydrophobicContact CD1-CD1 4.2Å; F490-I605 HydrophobicContact CD2-CD1 3.57Å; F490-I605 HydrophobicContact CD2-CG1 3.66Å; F490-I605 HydrophobicContact CE1-CD1 4.36Å; F490-I605 HydrophobicContact CE2-CD1 3.75Å; F490-I605 HydrophobicContact CE2-CG1 3.8Å; F490-I605 HydrophobicContact CG-CD1 3.81Å; F490-I605 HydrophobicContact CG-CG1 4.36Å; F490-I605 HydrophobicContact CZ-CD1 4.14Å; W537-I605 HydrophobicContact CZ2-CG2 4.09Å; L541-I605 HydrophobicContact CD1-CB 4.24Å; L541-I605 HydrophobicContact CD1-CG2 3.88Å; L541-I605 HydrophobicContact CD2-CB 4.11Å; L541-I605 HydrophobicContact CD2-CG2 3.53Å; L541-I605 HydrophobicContact CG-CG2 4.37Å; M545-I605 HydrophobicContact CE-CG1 4.38Å; M601-I605 PolarHBondContact O-N 3.37Å; W602-I605 PolarHBondContact O-N 2.86Å; I605-A607 VanDerWaalsContact C-N 3.29Å; I605-A607 PolarHBondContact O-N 3.07Å; I605-S608 CarbonylContact O-C 3.6Å; I605-S608 PolarHBondContact O-N 2.97Å; I605-S608 VanDerWaalsContact O-N 3.07Å; I605-S609 WeakPolarHBondContact O-CB 3.48Å; I605-S609 PolarHBondContact O-N 3.3Å; I605-S609 PolarHBondContact O-OG 3.47Å
606	R	95.3	Very high	92	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-58.1	-38.9	-179.7	173.9	58.5	-178.6	95.3	9.6	113	E538 L541 W602 Q603 A616 Y618	E538-R606 HydrophobicContact CG-CG 3.7Å; E538-R606 IonicContact OE1-CZ 3.12Å; E538-R606 IonicContact OE1-NE 3.16Å; E538-R606 PolarHBondContact OE1-NE 3.01Å; E538-R606 IonicContact OE1-NH2 3.47Å; E538-R606 PolarHBondContact OE1-NH2 2.94Å; L541-R606 HydrophobicContact CD1-CB 3.8Å; W602-R606 VanDerWaalsContact O-CB 3.22Å; W602-R606 WeakPolarHBondContact O-CB 3.28Å; W602-R606 PolarHBondContact O-N 3.44Å; Q603-R606 PolarHBondContact O-N 3.37Å; R606-A616 PolarHBondContact NH1-O 3.39Å; R606-A616 PolarHBondContact NH2-O 3.42Å; R606-Y618 HydrophobicContact CG-CD1 4.29Å; R606-Y618 HydrophobicContact CG-CD2 3.43Å; R606-Y618 VanDerWaalsContact CG-CD2 3.43Å; R606-Y618 HydrophobicContact CG-CE2 3.74Å; R606-Y618 HydrophobicContact CG-CG 3.74Å
607	A	96.4	Very high	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.6	-44.2	173.3	0	0	0	0	0	111.9	F580 Q603 I605 S609 Y618 H625 Q626	F580-A607 HydrophobicContact CE2-CB 3.51Å; F580-A607 HydrophobicContact CZ-CB 3.64Å; Q603-A607 VanDerWaalsContact O-CB 3.26Å; Q603-A607 WeakPolarHBondContact O-CB 2.99Å; Q603-A607 PolarHBondContact O-N 3.06Å; I605-A607 VanDerWaalsContact C-N 3.29Å; I605-A607 PolarHBondContact O-N 3.07Å; A607-S609 VanDerWaalsContact C-N 3.31Å; A607-S609 PolarHBondContact O-N 2.95Å; A607-Y618 HydrophobicContact CB-CD1 3.93Å; A607-H625 HydrophobicContact CB-CB 3.78Å; A607-Q626 CarbonylContact O-C 3.55Å
608	S	96.9	Very high	91.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-29.8	-179.6	177.9	0	0	0	0	113.4	S483 A486 V565 A604 I605 D627 G628	S483-S608 VanDerWaalsContact CA-O 3.25Å; S483-S608 WeakPolarHBondContact CA-O 3.24Å; S483-S608 PolarHBondContact N-O 3.47Å; S483-S608 PolarHBondContact N-OG 2.79Å; A486-S608 VanDerWaalsContact CB-OG 3.28Å; A486-S608 WeakPolarHBondContact CB-OG 3.45Å; V565-S608 PolarHBondContact O-OG 3.37Å; V565-S608 VanDerWaalsContact O-OG 3.08Å; A604-S608 WeakPolarHBondContact O-CB 3.35Å; A604-S608 PolarHBondContact O-N 3.24Å; I605-S608 CarbonylContact O-C 3.6Å; I605-S608 PolarHBondContact O-N 2.97Å; I605-S608 VanDerWaalsContact O-N 3.07Å; S608-D627 WeakPolarHBondContact O-CA 3.43Å; S608-G628 PolarHBondContact O-N 3.32Å
609	S	92.9	Very high	92	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.042	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	15	-176.4	85.6	0	0	0	0	114.5	W537 I605 A607 A611 F615 D627	W537-S609 PolarHBondContact NE1-OG 2.9Å; I605-S609 WeakPolarHBondContact O-CB 3.48Å; I605-S609 PolarHBondContact O-N 3.3Å; I605-S609 PolarHBondContact O-OG 3.47Å; A607-S609 VanDerWaalsContact C-N 3.31Å; A607-S609 PolarHBondContact O-N 2.95Å; S609-A611 PolarHBondContact O-N 3.43Å; S609-F615 VanDerWaalsContact O-CD2 3.31Å; S609-F615 WeakPolarHBondContact O-CD2 3.21Å; S609-D627 WeakPolarHBondContact CA-OD2 3.26Å
610	A	90.8	Very high	91.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	15%	0.147	C	C	.	.			trans	-78	62.6	-177.1	0	0	0	0	0	111.6	D627	A610-D627 PolarHBondContact O-N 3.35Å
611	A	87.4	Confident	91.5	Very high	16 Å²	16	26.6 Å²	26.6	13%	0.132	18%	0.175	C	C	.	.			trans	-68.7	126.2	-170.7	0	0	0	0	0	111.8	S609 G613 Y614 F615 D627	S609-A611 PolarHBondContact O-N 3.43Å; A611-G613 PolarHBondContact O-N 2.84Å; A611-Y614 HydrophobicContact CB-CD2 4.12Å; A611-Y614 HydrophobicContact CB-CG 4.37Å; A611-Y614 WeakPolarHBondContact O-CA 3.44Å; A611-Y614 WeakPolarHBondContact O-CB 3.41Å; A611-Y614 PolarHBondContact O-N 3.06Å; A611-F615 PolarHBondContact O-N 3.43Å; A611-D627 HydrophobicContact CB-CB 4.23Å
612	P	83.9	Confident	91.2	Very high	58 Å²	58	33.3 Å²	33.3	38%	0.377	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	132.6	-179.3	-28.5	36.7	0	0	0	113	Y614	P612-Y614 PolarHBondContact O-N 2.96Å
613	G	78.6	Confident	91.2	Very high	32 Å²	32	32.7 Å²	32.7	33%	0.33	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	80.6	-22.1	-174.1	0	0	0	0	0	114.5	M525 F531 A611	M525-G613 WeakPolarHBondContact CE-O 3.45Å; F531-G613 WeakPolarHBondContact CB-O 3.24Å; F531-G613 PolarHBondContact N-O 3.19Å; F531-G613 VanDerWaalsContact N-O 3.13Å; A611-G613 PolarHBondContact O-N 2.84Å
614	Y	81.3	Confident	91.1	Very high	57 Å²	57	33.3 Å²	33.3	22%	0.224	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-58.8	176.2	-74.1	-81.7	0	0	0	111.5	F531 Y532 A611 P612 L719 D720	F531-Y614 PolarHBondContact N-O 2.93Å; F531-Y614 VanDerWaalsContact N-O 3.13Å; Y532-Y614 AromaticContact CD2-CD1 3.94Å; Y532-Y614 HydrophobicContact CD2-CD1 3.94Å; Y532-Y614 AromaticContact CE2-CD1 3.7Å; Y532-Y614 HydrophobicContact CE2-CD1 3.7Å; Y532-Y614 HydrophobicContact CE2-CE1 4.15Å; Y532-Y614 PolarHBondContact N-O 3.44Å; A611-Y614 HydrophobicContact CB-CD2 4.12Å; A611-Y614 HydrophobicContact CB-CG 4.37Å; A611-Y614 WeakPolarHBondContact O-CA 3.44Å; A611-Y614 WeakPolarHBondContact O-CB 3.41Å; A611-Y614 PolarHBondContact O-N 3.06Å; P612-Y614 PolarHBondContact O-N 2.96Å; Y614-L719 HydrophobicContact CE2-CB 4.44Å; Y614-L719 HydrophobicContact CE2-CD1 3.9Å; Y614-D720 HydrophobicContact CD1-CB 4.28Å; Y614-D720 HydrophobicContact CE1-CB 3.62Å; Y614-D720 VanDerWaalsContact CE1-CG 3.44Å; Y614-D720 VanDerWaalsContact CE1-OD1 3.22Å; Y614-D720 WeakPolarHBondContact CE1-OD1 3.5Å; Y614-D720 PolarHBondContact OH-OD1 3.04Å
615	F	84.6	Confident	91.1	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.066	21%	0.214	C	C	.	.	S	Bend	trans	-122.5	154.7	-176.7	-60.2	-76	0	0	0	111.3	V513 F514 Y532 W537 S609 A611	V513-F615 HydrophobicContact CG1-CE1 3.79Å; V513-F615 HydrophobicContact CG1-CZ 3.48Å; V513-F615 VanDerWaalsContact CG1-CZ 3.48Å; F514-F615 HydrophobicContact CE1-CE2 4.12Å; F514-F615 AromaticContact CE1-CZ 3.76Å; F514-F615 HydrophobicContact CE1-CZ 3.76Å; F514-F615 HydrophobicContact CZ-CE2 4.45Å; F514-F615 HydrophobicContact CZ-CZ 4.27Å; Y532-F615 HydrophobicContact CG-CE1 4.4Å; W537-F615 HydrophobicContact CB-CE1 4.42Å; W537-F615 HydrophobicContact CG-CE1 4.45Å; S609-F615 VanDerWaalsContact O-CD2 3.31Å; S609-F615 WeakPolarHBondContact O-CD2 3.21Å; A611-F615 PolarHBondContact O-N 3.43Å
616	A	87.4	Confident	91.1	Very high	29 Å²	29	34.8 Å²	34.8	24%	0.24	22%	0.221	C	C	.	.			trans	-70.9	149.7	174.7	0	0	0	0	0	110.5	A530 S534 R606	A530-A616 HydrophobicContact CB-CB 4.08Å; A530-A616 VanDerWaalsContact CB-N 3.33Å; S534-A616 PolarHBondContact OG-N 2.98Å; R606-A616 PolarHBondContact NH1-O 3.39Å; R606-A616 PolarHBondContact NH2-O 3.42Å
617	E	91.9	Very high	91.1	Very high	90 Å²	90	35 Å²	35	42%	0.421	22%	0.222	S	C	.	.			trans	-53.7	146.2	172.5	-50.7	-176.7	118.6	0	0	110.7	L624 H625 Q626	E617-L624 HydrophobicContact CB-CD1 3.66Å; E617-L624 HydrophobicContact CB-CG 4.03Å; E617-L624 WeakPolarHBondContact OE2-CD2 3.11Å; E617-H625 WeakPolarHBondContact CA-O 3.37Å; E617-Q626 HydrophobicContact CG-CG 3.95Å; E617-Q626 PolarHBondContact OE1-NE2 3.28Å
618	Y	94.7	Very high	90.9	Very high	18 Å²	18	35 Å²	35	7%	0.071	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111	-178.7	-174.9	-112.8	0	0	0	110.8	W602 Q603 R606 A607 L620 H625	W602-Y618 WeakPolarHBondContact CH2-OH 3.26Å; W602-Y618 HydrophobicContact CZ3-CE2 4.35Å; W602-Y618 WeakPolarHBondContact CZ3-OH 3.41Å; Q603-Y618 HydrophobicContact CB-CE1 4.22Å; Q603-Y618 PolarHBondContact NE2-OH 3.49Å; R606-Y618 HydrophobicContact CG-CD1 4.29Å; R606-Y618 HydrophobicContact CG-CD2 3.43Å; R606-Y618 VanDerWaalsContact CG-CD2 3.43Å; R606-Y618 HydrophobicContact CG-CE2 3.74Å; R606-Y618 HydrophobicContact CG-CG 3.74Å; A607-Y618 HydrophobicContact CB-CD1 3.93Å; Y618-L620 HydrophobicContact CD1-CB 4.13Å; Y618-L620 HydrophobicContact CE1-CB 3.93Å; Y618-L620 HydrophobicContact CE1-CD1 4Å; Y618-L620 HydrophobicContact CE1-CD2 4.19Å; Y618-L620 HydrophobicContact CE1-CG 4.26Å; Y618-H625 PolarHBondContact N-O 3.29Å; Y618-H625 WeakPolarHBondContact O-CB 3.17Å; Y618-H625 PolarHBondContact O-N 3.29Å
619	A	94.8	Very high	90.6	Very high	70 Å²	70	35.1 Å²	35.1	58%	0.579	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.7	174.4	0	0	0	0	0	110.4	L624	A619-L624 HydrophobicContact CB-CD1 4.22Å
620	L	93.5	Very high	90.5	Very high	22 Å²	22	37 Å²	37	12%	0.115	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	90.7	-179.4	-173.6	55.9	0	0	0	109.9	F580 Y599 Y618 N622 D623	F580-L620 HydrophobicContact CE1-CD2 3.62Å; F580-L620 HydrophobicContact CZ-CD2 3.76Å; Y599-L620 HydrophobicContact CD1-CD1 4.38Å; Y599-L620 HydrophobicContact CD1-CD2 3.67Å; Y599-L620 HydrophobicContact CD1-CG 4.27Å; Y599-L620 HydrophobicContact CE1-CD1 4.48Å; Y599-L620 HydrophobicContact CE1-CD2 3.66Å; Y599-L620 HydrophobicContact CE1-CG 4.02Å; Y618-L620 HydrophobicContact CD1-CB 4.13Å; Y618-L620 HydrophobicContact CE1-CB 3.93Å; Y618-L620 HydrophobicContact CE1-CD1 4Å; Y618-L620 HydrophobicContact CE1-CD2 4.19Å; Y618-L620 HydrophobicContact CE1-CG 4.26Å; L620-N622 PolarHBondContact O-N 3.09Å; L620-D623 PolarHBondContact N-O 3.36Å; L620-D623 PolarHBondContact O-N 3.26Å
621	G	89.8	Confident	90.5	Very high	75 Å²	75	40.3 Å²	40.3	77%	0.773	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-122.3	-168.2	0	0	0	0	0	110.2	D623	G621-D623 VanDerWaalsContact C-N 3.35Å
622	N	90.6	Very high	90.8	Very high	149 Å²	149	41.1 Å²	41.1	80%	0.797	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.8	177.9	-64.4	-19.8	0	0	0	113.4	N570 L620	N570-N622 PolarHBondContact ND2-O 2.82Å; L620-N622 PolarHBondContact O-N 3.09Å
623	D	94.8	Very high	91.3	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.059	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.2	-171	-63.6	-5.2	0	0	0	110.4	I568 R571 L620 G621	I568-D623 HydrophobicContact CD1-CB 4.04Å; I568-D623 HydrophobicContact CG1-CB 4.36Å; I568-D623 HydrophobicContact CG2-CB 4.46Å; R571-D623 VanDerWaalsContact CZ-CG 3.45Å; R571-D623 IonicContact CZ-OD1 3.43Å; R571-D623 IonicContact CZ-OD2 2.68Å; R571-D623 VanDerWaalsContact NE-CG 3.25Å; R571-D623 IonicContact NE-OD1 3.73Å; R571-D623 PolarHBondContact NE-OD1 3.24Å; R571-D623 IonicContact NE-OD2 2.71Å; R571-D623 PolarHBondContact NE-OD2 2.98Å; R571-D623 IonicContact NH1-OD2 3.73Å; R571-D623 IonicContact NH2-OD1 3.35Å; R571-D623 PolarHBondContact NH2-OD1 3.09Å; R571-D623 IonicContact NH2-OD2 3.72Å; R571-D623 PolarHBondContact NH2-OD2 3.15Å; L620-D623 PolarHBondContact N-O 3.36Å; L620-D623 PolarHBondContact O-N 3.26Å; G621-D623 VanDerWaalsContact C-N 3.35Å
624	L	95.5	Very high	92.2	Very high	46 Å²	46	37.8 Å²	37.8	24%	0.241	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.9	178.8	-168.2	58.4	0	0	0	108.6	I568 V569 N570 E617 A619	I568-L624 WeakPolarHBondContact CA-O 3.4Å; V569-L624 HydrophobicContact CG2-CB 4.13Å; V569-L624 HydrophobicContact CG2-CD2 4.13Å; V569-L624 HydrophobicContact CG2-CG 4Å; V569-L624 WeakPolarHBondContact CG2-O 3.22Å; V569-L624 PolarHBondContact N-O 2.92Å; N570-L624 HydrophobicContact CB-CB 3.93Å; N570-L624 PolarHBondContact ND2-N 2.82Å; N570-L624 PolarHBondContact OD1-N 2.75Å; E617-L624 HydrophobicContact CB-CD1 3.66Å; E617-L624 HydrophobicContact CB-CG 4.03Å; E617-L624 WeakPolarHBondContact OE2-CD2 3.11Å; A619-L624 HydrophobicContact CB-CD1 4.22Å
625	H	96.5	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.8	-174.4	-66.2	-105.1	0	0	0	112	S566 T567 F578 F580 A607 E617 Y618	S566-H625 PolarHBondContact OG-ND1 3.11Å; T567-H625 CarbonylContact O-C 3.58Å; T567-H625 WeakPolarHBondContact O-CA 3.35Å; F578-H625 AromaticContact CD1-CE1 3.79Å; F578-H625 AromaticContact CG-CE1 3.84Å; F580-H625 AromaticContact CZ-CE1 3.66Å; F580-H625 AromaticContact CZ-ND1 3.92Å; A607-H625 HydrophobicContact CB-CB 3.78Å; E617-H625 WeakPolarHBondContact CA-O 3.37Å; Y618-H625 PolarHBondContact N-O 3.29Å; Y618-H625 WeakPolarHBondContact O-CB 3.17Å; Y618-H625 PolarHBondContact O-N 3.29Å
626	Q	95	Very high	93.6	Very high	30 Å²	30	34.3 Å²	34.3	14%	0.14	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	172.1	163	-71.4	-168.7	-5.2	0	0	109.6	T567 V569 A607 E617	T567-Q626 PolarHBondContact N-O 2.85Å; T567-Q626 PolarHBondContact O-N 2.86Å; V569-Q626 HydrophobicContact CG1-CB 4.13Å; V569-Q626 HydrophobicContact CG1-CG 3.89Å; V569-Q626 HydrophobicContact CG2-CG 4.33Å; A607-Q626 CarbonylContact O-C 3.55Å; E617-Q626 HydrophobicContact CG-CG 3.95Å; E617-Q626 PolarHBondContact OE1-NE2 3.28Å
627	D	95.1	Very high	94	Very high	9 Å²	9	34 Å²	34	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	140.8	178.3	-162.7	-56.7	0	0	0	113	S483 T567 S608 S609 A610 A611 G629 L630	S483-D627 WeakPolarHBondContact CB-OD1 3.3Å; S483-D627 WeakPolarHBondContact CB-OD2 3.49Å; S483-D627 PolarHBondContact OG-OD2 2.88Å; T567-D627 WeakPolarHBondContact CB-O 3.36Å; T567-D627 PolarHBondContact OG1-O 2.94Å; S608-D627 WeakPolarHBondContact O-CA 3.43Å; S609-D627 WeakPolarHBondContact CA-OD2 3.26Å; A610-D627 PolarHBondContact O-N 3.35Å; A611-D627 HydrophobicContact CB-CB 4.23Å; D627-G629 PolarHBondContact O-N 2.91Å; D627-G629 WeakPolarHBondContact OD1-CA 3.26Å; D627-G629 PolarHBondContact OD1-N 3.34Å; D627-L630 PolarHBondContact O-N 3.01Å
628	G	93.3	Very high	94.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.3	176	0	0	0	0	0	113	V482 V565 S608 L630 L631 L632	V482-G628 VanDerWaalsContact CG1-C 3.47Å; V565-G628 WeakPolarHBondContact O-CA 3.5Å; S608-G628 PolarHBondContact O-N 3.32Å; G628-L630 PolarHBondContact O-N 2.97Å; G628-L631 PolarHBondContact O-N 3.04Å; G628-L631 VanDerWaalsContact O-N 3.12Å; G628-L632 CarbonylContact O-C 3.46Å; G628-L632 PolarHBondContact O-N 3.33Å
629	G	90.8	Very high	94.4	Very high	4 Å²	4	28.9 Å²	28.9	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-21.7	178	0	0	0	0	0	114.1	D627 L631 T688	D627-G629 PolarHBondContact O-N 2.91Å; D627-G629 WeakPolarHBondContact OD1-CA 3.26Å; D627-G629 PolarHBondContact OD1-N 3.34Å; G629-L631 PolarHBondContact O-N 3.39Å; G629-T688 WeakPolarHBondContact O-CA 3.48Å
630	L	90.6	Very high	94.5	Very high	46 Å²	46	27.8 Å²	27.8	24%	0.241	17%	0.167	C	C	.	.	H	α-helix	trans	-66.1	-20.4	175	-177.4	60.4	0	0	0	113.6	T567 V569 D627 G628 A687	T567-L630 HydrophobicContact CG2-CB 4.49Å; T567-L630 HydrophobicContact CG2-CD2 4.13Å; V569-L630 HydrophobicContact CG1-CD2 4.41Å; D627-L630 PolarHBondContact O-N 3.01Å; G628-L630 PolarHBondContact O-N 2.97Å; L630-A687 HydrophobicContact CD1-CB 4.41Å
631	L	91.1	Very high	94.7	Very high	69 Å²	69	28.8 Å²	28.8	36%	0.361	17%	0.171	S	C	.	.	H	α-helix	trans	-127.7	-36.2	178.9	-72.4	-177.8	0	0	0	114.3	T567 P575 G628 G629	T567-L631 HydrophobicContact CG2-CD1 3.63Å; T567-L631 HydrophobicContact CG2-CG 3.79Å; P575-L631 HydrophobicContact CB-CD1 4.06Å; P575-L631 HydrophobicContact CB-CD2 4.32Å; P575-L631 HydrophobicContact CB-CG 4.39Å; G628-L631 PolarHBondContact O-N 3.04Å; G628-L631 VanDerWaalsContact O-N 3.12Å; G629-L631 PolarHBondContact O-N 3.39Å
632	L	92.4	Very high	95.1	Very high	34 Å²	34	25.3 Å²	25.3	18%	0.178	14%	0.135	C	C	.	.	H	α-helix	trans	-143.6	55.8	-166.1	-67.2	177.8	0	0	0	110.3	V482 V565 A577 Y593 G628 N634 L638	V482-L632 WeakPolarHBondContact CG2-O 3.49Å; V565-L632 HydrophobicContact CG1-CD1 4.38Å; A577-L632 HydrophobicContact CB-CD1 3.5Å; A577-L632 VanDerWaalsContact CB-CD1 3.5Å; A577-L632 HydrophobicContact CB-CG 4.44Å; Y593-L632 HydrophobicContact CE1-CD1 4.16Å; G628-L632 CarbonylContact O-C 3.46Å; G628-L632 PolarHBondContact O-N 3.33Å; L632-N634 PolarHBondContact O-N 3.3Å; L632-L638 HydrophobicContact CD1-CB 4.3Å; L632-L638 HydrophobicContact CD1-CD1 3.47Å; L632-L638 VanDerWaalsContact CD1-CD1 3.47Å
633	N	94.9	Very high	95.4	Very high	17 Å²	17	18.2 Å²	18.2	9%	0.091	10%	0.097	C	C	.	.	S	Bend	trans	-60	-30.6	-178.2	-164.1	31.2	0	0	0	113.6	D448 G449 P635 T688 T690	D448-N633 WeakPolarHBondContact CA-O 3.45Å; D448-N633 WeakPolarHBondContact CB-O 3.22Å; G449-N633 WeakPolarHBondContact CA-OD1 3.4Å; G449-N633 PolarHBondContact N-O 3.47Å; G449-N633 PolarHBondContact N-OD1 2.86Å; G449-N633 PolarHBondContact O-OD1 3.1Å; N633-P635 WeakPolarHBondContact O-CD 3.41Å; N633-T688 WeakPolarHBondContact CB-O 3.36Å; N633-T688 PolarHBondContact ND2-O 3.02Å; N633-T690 HydrophobicContact CB-CG2 4Å; N633-T690 WeakPolarHBondContact ND2-CG2 3.49Å
634	N	97	Very high	95.4	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.011	11%	0.111	C	C	.	.	S	Bend	trans	-101.8	99.7	166.6	177.8	-9.9	0	0	0	109.6	D448 L632 S636 T690 V693	D448-N634 WeakPolarHBondContact OD1-CA 3.25Å; L632-N634 PolarHBondContact O-N 3.3Å; N634-S636 PolarHBondContact O-N 3.35Å; N634-S636 VanDerWaalsContact O-N 3.14Å; N634-S636 VanDerWaalsContact OD1-CB 3.23Å; N634-S636 WeakPolarHBondContact OD1-CB 3.23Å; N634-S636 PolarHBondContact OD1-N 2.94Å; N634-S636 PolarHBondContact OD1-OG 3.07Å; N634-T690 HydrophobicContact CB-CG2 4.12Å; N634-T690 PolarHBondContact ND2-O 3.37Å; N634-V693 HydrophobicContact CB-CB 4.12Å; N634-V693 HydrophobicContact CB-CG1 4.24Å
635	P	97.6	Very high	95.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	7.3	-173	28.1	-29.7	0	0	0	114.3	S446 C480 V482 V565 N633 A637 L638 A639	S446-P635 WeakPolarHBondContact OG-CD 3.39Å; S446-P635 WeakPolarHBondContact OG-CG 3.47Å; C480-P635 HydrophobicContact CB-CB 4.34Å; C480-P635 HydrophobicContact CB-CG 4.34Å; V482-P635 HydrophobicContact CB-CG 4.42Å; V482-P635 HydrophobicContact CG2-CB 3.67Å; V482-P635 HydrophobicContact CG2-CG 3.59Å; V565-P635 HydrophobicContact CG2-CB 4.35Å; N633-P635 WeakPolarHBondContact O-CD 3.41Å; P635-A637 VanDerWaalsContact C-N 3.33Å; P635-A637 PolarHBondContact O-N 2.72Å; P635-L638 PolarHBondContact O-N 2.97Å; P635-L638 VanDerWaalsContact O-N 3.09Å; P635-A639 WeakPolarHBondContact O-CB 3.45Å; P635-A639 PolarHBondContact O-N 3.05Å
636	S	98	Very high	95.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-55.4	-42.5	-172.3	-59.4	0	0	0	0	113.6	S446 N634 A639 M640 S657	S446-S636 WeakPolarHBondContact CB-OG 3.23Å; S446-S636 WeakPolarHBondContact OG-CA 3.29Å; S446-S636 PolarHBondContact OG-N 2.83Å; S446-S636 VanDerWaalsContact OG-N 3.13Å; S446-S636 PolarHBondContact OG-OG 3.18Å; S446-S636 VanDerWaalsContact OG-OG 3.13Å; N634-S636 PolarHBondContact O-N 3.35Å; N634-S636 VanDerWaalsContact O-N 3.14Å; N634-S636 VanDerWaalsContact OD1-CB 3.23Å; N634-S636 WeakPolarHBondContact OD1-CB 3.23Å; N634-S636 PolarHBondContact OD1-N 2.94Å; N634-S636 PolarHBondContact OD1-OG 3.07Å; S636-A639 PolarHBondContact O-N 3.24Å; S636-M640 WeakPolarHBondContact O-CB 3.3Å; S636-M640 PolarHBondContact O-N 3.18Å; S636-S657 WeakPolarHBondContact OG-CB 3.35Å; S636-S657 PolarHBondContact OG-OG 2.71Å; S636-S657 VanDerWaalsContact OG-OG 3.1Å
637	A	96.8	Very high	95.2	Very high	21 Å²	21	20.3 Å²	20.3	17%	0.174	11%	0.105	C	C	.	.	H	α-helix	trans	-69.4	-38	179.6	0	0	0	0	0	112.4	P635 H641 V693 M696 L697	P635-A637 VanDerWaalsContact C-N 3.33Å; P635-A637 PolarHBondContact O-N 2.72Å; A637-H641 PolarHBondContact O-N 3.35Å; A637-V693 HydrophobicContact CB-CG1 4.22Å; A637-M696 HydrophobicContact CB-CE 3.93Å; A637-L697 HydrophobicContact CB-CD1 4.46Å; A637-L697 HydrophobicContact CB-CD2 4.48Å
638	L	97.2	Very high	95	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-67.2	-43	174.4	178.4	152.5	0	0	0	111.1	V565 A577 V579 Y593 L632 P635 M640 H641 E642	V565-L638 HydrophobicContact CG1-CD1 4.11Å; V565-L638 HydrophobicContact CG2-CD1 4.08Å; V565-L638 HydrophobicContact CG2-CD2 3.83Å; A577-L638 HydrophobicContact CB-CD1 4.43Å; V579-L638 HydrophobicContact CG2-CD1 3.82Å; V579-L638 HydrophobicContact CG2-CD2 3.97Å; V579-L638 HydrophobicContact CG2-CG 4.32Å; Y593-L638 HydrophobicContact CD1-CD1 3.86Å; Y593-L638 HydrophobicContact CD2-CD1 3.91Å; Y593-L638 HydrophobicContact CD2-CG 3.79Å; Y593-L638 HydrophobicContact CE1-CD1 3.91Å; Y593-L638 HydrophobicContact CE1-CG 4.46Å; Y593-L638 HydrophobicContact CE2-CB 4.01Å; Y593-L638 HydrophobicContact CE2-CD1 3.98Å; Y593-L638 HydrophobicContact CE2-CG 3.67Å; Y593-L638 HydrophobicContact CG-CD1 3.84Å; Y593-L638 HydrophobicContact CG-CG 4.25Å; L632-L638 HydrophobicContact CD1-CB 4.3Å; L632-L638 HydrophobicContact CD1-CD1 3.47Å; L632-L638 VanDerWaalsContact CD1-CD1 3.47Å; P635-L638 PolarHBondContact O-N 2.97Å; P635-L638 VanDerWaalsContact O-N 3.09Å; L638-M640 VanDerWaalsContact C-N 3.33Å; L638-M640 PolarHBondContact O-N 3.1Å; L638-H641 WeakPolarHBondContact O-CB 3.41Å; L638-H641 PolarHBondContact O-N 3.2Å; L638-E642 HydrophobicContact CD2-CG 4.13Å; L638-E642 PolarHBondContact O-N 3Å
639	A	98.1	Very high	94.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-42.4	176.8	0	0	0	0	0	111.7	I444 Y478 C480 P635 S636 E642 C643	I444-A639 HydrophobicContact CG2-CB 3.72Å; Y478-A639 HydrophobicContact CD1-CB 4.09Å; Y478-A639 HydrophobicContact CE1-CB 3.77Å; C480-A639 HydrophobicContact CB-CB 3.65Å; P635-A639 WeakPolarHBondContact O-CB 3.45Å; P635-A639 PolarHBondContact O-N 3.05Å; S636-A639 PolarHBondContact O-N 3.24Å; A639-E642 PolarHBondContact O-N 3.34Å; A639-C643 WeakPolarHBondContact O-CB 3.31Å; A639-C643 PolarHBondContact O-N 3.23Å; A639-C643 PolarHBondContact O-SG 3.09Å
640	M	97	Very high	95	Very high	47 Å²	47	31.2 Å²	31.2	23%	0.232	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-43.4	173.7	-177.1	176.7	67.2	0	0	112.1	I444 S636 L638 C643 K644 L652 I655 L697 L701	I444-M640 HydrophobicContact CD1-CB 4.45Å; S636-M640 WeakPolarHBondContact O-CB 3.3Å; S636-M640 PolarHBondContact O-N 3.18Å; L638-M640 VanDerWaalsContact C-N 3.33Å; L638-M640 PolarHBondContact O-N 3.1Å; M640-C643 PolarHBondContact O-N 3.33Å; M640-K644 PolarHBondContact O-N 2.84Å; M640-K644 VanDerWaalsContact O-N 3.12Å; M640-L652 HydrophobicContact CG-CD1 3.78Å; M640-L652 HydrophobicContact CG-CD2 4.28Å; M640-L652 HydrophobicContact SD-CD1 3.62Å; M640-I655 HydrophobicContact CB-CD1 4.18Å; M640-I655 HydrophobicContact CG-CD1 4.24Å; M640-I655 HydrophobicContact SD-CD1 4.07Å; M640-L697 HydrophobicContact CE-CD2 3.79Å; M640-L697 HydrophobicContact SD-CD2 4.4Å; M640-L701 HydrophobicContact SD-CD1 4.42Å; M640-L701 HydrophobicContact SD-CD2 3.99Å
641	H	96.7	Very high	95.2	Very high	44 Å²	44	32.9 Å²	32.9	20%	0.204	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-52	175.1	169.4	-76.5	0	0	0	111.7	S591 H592 Y593 A637 L638 C643 K644 C645	S591-H641 PolarHBondContact OG-CE1 2.88Å; H592-H641 AromaticContact CD2-NE2 3.41Å; H592-H641 PolarHBondContact CD2-NE2 3.1Å; H592-H641 AromaticContact CG-NE2 3.96Å; H592-H641 PolarHBondContact N-CE1 3.46Å; Y593-H641 AromaticContact CD2-ND1 3.67Å; Y593-H641 HydrophobicContact CE2-CB 4.03Å; Y593-H641 AromaticContact CE2-CG 3.75Å; Y593-H641 AromaticContact CE2-ND1 3.71Å; A637-H641 PolarHBondContact O-N 3.35Å; L638-H641 WeakPolarHBondContact O-CB 3.41Å; L638-H641 PolarHBondContact O-N 3.2Å; H641-C643 VanDerWaalsContact C-N 3.29Å; H641-C643 PolarHBondContact O-N 2.98Å; H641-K644 WeakPolarHBondContact O-CA 3.17Å; H641-K644 PolarHBondContact O-N 3.09Å; H641-C645 PolarHBondContact CE1-SG 3.42Å; H641-C645 PolarHBondContact O-N 3.49Å
642	E	97.5	Very high	95.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-41.5	178.6	-74.9	-59.4	108.2	0	0	112.1	Y478 Y583 H585 S591 L638 A639 K644 C645 L646	Y478-E642 HydrophobicContact CE2-CB 3.95Å; Y478-E642 WeakPolarHBondContact OH-CB 3.47Å; Y583-E642 PolarHBondContact OH-OE2 3.01Å; H585-E642 IonicContact CD2-OE2 2.7Å; H585-E642 IonicContact CE1-OE1 2.71Å; H585-E642 IonicContact CE1-OE2 3.43Å; H585-E642 PolarHBondContact CE1-OE2 3.08Å; H585-E642 VanDerWaalsContact CE1-OE2 3.28Å; H585-E642 IonicContact NE2-OE1 2.66Å; H585-E642 IonicContact NE2-OE2 2.7Å; H585-E642 PolarHBondContact NE2-OE2 2.95Å; S591-E642 WeakPolarHBondContact CB-OE1 3.47Å; S591-E642 PolarHBondContact OG-OE1 3.13Å; L638-E642 HydrophobicContact CD2-CG 4.13Å; L638-E642 PolarHBondContact O-N 3Å; A639-E642 PolarHBondContact O-N 3.34Å; E642-K644 VanDerWaalsContact C-N 3.26Å; E642-K644 PolarHBondContact O-N 3.42Å; E642-C645 WeakPolarHBondContact O-CB 3.48Å; E642-C645 PolarHBondContact O-N 3.37Å; E642-C645 VanDerWaalsContact O-N 3.09Å; E642-L646 WeakPolarHBondContact O-CG 3.39Å; E642-L646 PolarHBondContact O-N 3.24Å; E642-L646 VanDerWaalsContact O-N 3.08Å
643	C	96.8	Very high	95.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-34	173.9	-75.6	0	0	0	0	113.2	I442 I444 Y478 A639 M640 H641 L646 W647	I442-C643 HydrophobicContact CD1-CB 4.23Å; I442-C643 HydrophobicContact CG2-CB 3.99Å; I444-C643 HydrophobicContact CD1-CB 3.81Å; I444-C643 WeakPolarHBondContact CD1-SG 3.49Å; Y478-C643 WeakPolarHBondContact CB-SG 3.49Å; Y478-C643 VanDerWaalsContact CD2-SG 3.55Å; A639-C643 WeakPolarHBondContact O-CB 3.31Å; A639-C643 PolarHBondContact O-N 3.23Å; A639-C643 PolarHBondContact O-SG 3.09Å; M640-C643 PolarHBondContact O-N 3.33Å; H641-C643 VanDerWaalsContact C-N 3.29Å; H641-C643 PolarHBondContact O-N 2.98Å; C643-L646 PolarHBondContact O-N 3.41Å; C643-W647 HydrophobicContact CB-CE3 4.42Å; C643-W647 PolarHBondContact O-N 3.46Å
644	K	94.4	Very high	95.6	Very high	81 Å²	81	30 Å²	30	35%	0.352	17%	0.165	S	C	.	.	H	α-helix	trans	-76.1	-26.1	174	-74.7	-56.6	-165.8	178.5	0	113.8	M640 H641 E642 L646 P648 V650	M640-K644 PolarHBondContact O-N 2.84Å; M640-K644 VanDerWaalsContact O-N 3.12Å; H641-K644 WeakPolarHBondContact O-CA 3.17Å; H641-K644 PolarHBondContact O-N 3.09Å; E642-K644 VanDerWaalsContact C-N 3.26Å; E642-K644 PolarHBondContact O-N 3.42Å; K644-L646 VanDerWaalsContact C-N 3.35Å; K644-P648 PolarHBondContact NZ-O 3.36Å; K644-P648 WeakPolarHBondContact O-CA 3.47Å; K644-V650 PolarHBondContact NZ-O 3.21Å
645	C	94.4	Very high	95.7	Very high	18 Å²	18	30 Å²	30	12%	0.122	17%	0.165	C	C	.	.	H	α-helix	trans	-68.9	-33.6	168.5	-64.4	0	0	0	0	112.5	N589 H641 E642	N589-C645 PolarHBondContact ND2-O 3.08Å; H641-C645 PolarHBondContact CE1-SG 3.42Å; H641-C645 PolarHBondContact O-N 3.49Å; E642-C645 WeakPolarHBondContact O-CB 3.48Å; E642-C645 PolarHBondContact O-N 3.37Å; E642-C645 VanDerWaalsContact O-N 3.09Å
646	L	94.6	Very high	95.8	Very high	14 Å²	14	30 Å²	30	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-82.7	-49	179.5	-64.2	175.1	0	0	0	113	V434 Y478 K561 Y583 E642 C643 K644 P648	V434-L646 HydrophobicContact CG1-CB 4.36Å; V434-L646 HydrophobicContact CG1-CD2 3.89Å; V434-L646 VanDerWaalsContact CG2-O 3.25Å; V434-L646 WeakPolarHBondContact CG2-O 3.48Å; Y478-L646 HydrophobicContact CD2-CD1 4.22Å; Y478-L646 HydrophobicContact CE2-CD1 4.21Å; K561-L646 HydrophobicContact CB-CD1 4.42Å; K561-L646 HydrophobicContact CG-CD1 4.21Å; Y583-L646 HydrophobicContact CD1-CD1 4.4Å; Y583-L646 HydrophobicContact CD2-CD1 3.99Å; Y583-L646 HydrophobicContact CD2-CD2 3.55Å; Y583-L646 HydrophobicContact CD2-CG 4.24Å; Y583-L646 HydrophobicContact CE1-CD1 4.31Å; Y583-L646 HydrophobicContact CE2-CD1 3.88Å; Y583-L646 HydrophobicContact CE2-CD2 3.89Å; Y583-L646 HydrophobicContact CE2-CG 4.15Å; Y583-L646 HydrophobicContact CG-CD1 4.27Å; Y583-L646 HydrophobicContact CG-CD2 4.26Å; E642-L646 WeakPolarHBondContact O-CG 3.39Å; E642-L646 PolarHBondContact O-N 3.24Å; E642-L646 VanDerWaalsContact O-N 3.08Å; C643-L646 PolarHBondContact O-N 3.41Å; K644-L646 VanDerWaalsContact C-N 3.35Å; L646-P648 WeakPolarHBondContact O-CD 3.38Å
647	W	94.8	Very high	95.8	Very high	19 Å²	19	30 Å²	30	7%	0.072	17%	0.165	C	C	.	.			trans	-124.8	69.3	-175.1	-59.1	-74.6	0	0	0	111	V434 D435 V437 I442 D477 K561 C643 D649 V650	V434-W647 HydrophobicContact CG2-CG 4.36Å; D435-W647 PolarHBondContact O-NE1 3.39Å; V437-W647 HydrophobicContact CG1-CD2 3.77Å; V437-W647 HydrophobicContact CG1-CE3 4.22Å; V437-W647 HydrophobicContact CG1-CG 4.08Å; V437-W647 HydrophobicContact CG1-CH2 4.46Å; V437-W647 HydrophobicContact CG1-CZ2 4.05Å; I442-W647 HydrophobicContact CD1-CB 3.92Å; I442-W647 HydrophobicContact CD1-CE3 4.37Å; I442-W647 HydrophobicContact CG1-CB 4.27Å; I442-W647 HydrophobicContact CG1-CE3 4.32Å; I442-W647 HydrophobicContact CG2-CE3 4.12Å; I442-W647 HydrophobicContact CG2-CZ3 4.21Å; D477-W647 HydrophobicContact CB-CH2 4.32Å; K561-W647 HydrophobicContact CB-CH2 4.38Å; K561-W647 HydrophobicContact CG-CH2 3.76Å; K561-W647 HydrophobicContact CG-CZ2 4.28Å; C643-W647 HydrophobicContact CB-CE3 4.42Å; C643-W647 PolarHBondContact O-N 3.46Å; W647-D649 PolarHBondContact O-N 3.45Å; W647-V650 HydrophobicContact CB-CB 3.9Å; W647-V650 HydrophobicContact CB-CG2 3.78Å; W647-V650 HydrophobicContact CG-CG2 4.4Å; W647-V650 PolarHBondContact O-N 2.97Å
648	P	90.7	Very high	95.8	Very high	63 Å²	63	29 Å²	29	41%	0.409	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-46.4	-173.1	20.8	-32.9	0	0	0	113	K644 L646 V650	K644-P648 PolarHBondContact NZ-O 3.36Å; K644-P648 WeakPolarHBondContact O-CA 3.47Å; L646-P648 WeakPolarHBondContact O-CD 3.38Å; P648-V650 VanDerWaalsContact C-N 3.32Å; P648-V650 PolarHBondContact O-N 2.92Å
649	D	90.1	Very high	95.8	Very high	142 Å²	142	29 Å²	29	76%	0.759	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.1	-175.2	-50.9	-55.9	0	0	0	114.4	W647	W647-D649 PolarHBondContact O-N 3.45Å
650	V	94.1	Very high	95.6	Very high	36 Å²	36	29.2 Å²	29.2	22%	0.218	16%	0.159	C	C	.	.	S	Bend	trans	-96.6	131.6	-176.8	-172.2	0	0	0	0	109.8	V437 I442 K644 W647 P648	V437-V650 HydrophobicContact CG1-CG1 4.49Å; V437-V650 HydrophobicContact CG2-CG1 3.91Å; I442-V650 HydrophobicContact CD1-CB 4.19Å; I442-V650 HydrophobicContact CD1-CG1 4.47Å; I442-V650 HydrophobicContact CG1-CB 3.99Å; I442-V650 HydrophobicContact CG1-CG1 3.77Å; K644-V650 PolarHBondContact NZ-O 3.21Å; W647-V650 HydrophobicContact CB-CB 3.9Å; W647-V650 HydrophobicContact CB-CG2 3.78Å; W647-V650 HydrophobicContact CG-CG2 4.4Å; W647-V650 PolarHBondContact O-N 2.97Å; P648-V650 VanDerWaalsContact C-N 3.32Å; P648-V650 PolarHBondContact O-N 2.92Å
651	P	94.1	Very high	95.3	Very high	82 Å²	82	27.4 Å²	27.4	53%	0.532	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-68.2	154	175.1	29.4	-35.2	0	0	0	111.4	G441 I442	G441-P651 CarbonylContact C-O 3.51Å; G441-P651 VanDerWaalsContact CA-O 3.31Å; G441-P651 WeakPolarHBondContact CA-O 3.37Å; I442-P651 PolarHBondContact N-O 3.35Å
652	L	95.5	Very high	95	Very high	36 Å²	36	29.4 Å²	29.4	19%	0.188	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.8	165.6	-63.9	164	0	0	0	108	I442 I444 M640 I655 L701 T705	I442-L652 HydrophobicContact CB-CD2 4.24Å; I442-L652 HydrophobicContact CD1-CD2 4.29Å; I444-L652 HydrophobicContact CD1-CD2 3.81Å; M640-L652 HydrophobicContact CG-CD1 3.78Å; M640-L652 HydrophobicContact CG-CD2 4.28Å; M640-L652 HydrophobicContact SD-CD1 3.62Å; L652-I655 HydrophobicContact CD1-CD1 4.28Å; L652-I655 HydrophobicContact CD2-CD1 4.49Å; L652-L701 HydrophobicContact CD1-CD2 4.15Å; L652-T705 HydrophobicContact CB-CG2 4.05Å
653	E	95.9	Very high	94.4	Very high	24 Å²	24	34.1 Å²	34.1	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-47.2	173.7	175	162.4	-146.5	0	0	110.5	R440 G441 I442 R443 I751	R440-E653 WeakPolarHBondContact CB-OE1 3.48Å; R440-E653 PolarHBondContact N-OE2 3.12Å; G441-E653 PolarHBondContact N-OE2 3.14Å; I442-E653 PolarHBondContact O-N 2.94Å; R443-E653 HydrophobicContact CG-CB 4Å; R443-E653 HydrophobicContact CG-CG 4.06Å; E653-I751 HydrophobicContact CG-CG2 3.72Å
654	C	97.1	Very high	93.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	157	166.5	64.8	0	0	0	0	113.3	I442 R443 I444 T705 F707 I751 L752	I442-C654 PolarHBondContact O-N 2.8Å; R443-C654 WeakPolarHBondContact CA-O 3.39Å; I444-C654 PolarHBondContact N-O 3.29Å; C654-T705 CarbonylContact C-O 3.58Å; C654-T705 VanDerWaalsContact CA-O 3.24Å; C654-T705 WeakPolarHBondContact CA-O 3.42Å; C654-F707 HydrophobicContact CB-CD2 4.25Å; C654-F707 HydrophobicContact CB-CE2 4.09Å; C654-I751 HydrophobicContact CB-CG2 4.08Å; C654-L752 WeakPolarHBondContact SG-CD2 3.37Å
655	I	98.5	Very high	92.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114	168.3	-60.2	169.6	0	0	0	107.3	I444 M640 L652 L701 T705 Y706 F707	I444-I655 HydrophobicContact CB-CB 4.44Å; I444-I655 HydrophobicContact CB-CG1 4.04Å; I444-I655 HydrophobicContact CB-CG2 4.38Å; I444-I655 HydrophobicContact CD1-CD1 4.37Å; I444-I655 HydrophobicContact CD1-CG1 4.02Å; I444-I655 HydrophobicContact CG1-CG1 4.24Å; I444-I655 HydrophobicContact CG2-CG2 4.44Å; I444-I655 WeakPolarHBondContact O-CA 3.36Å; M640-I655 HydrophobicContact CB-CD1 4.18Å; M640-I655 HydrophobicContact CG-CD1 4.24Å; M640-I655 HydrophobicContact SD-CD1 4.07Å; L652-I655 HydrophobicContact CD1-CD1 4.28Å; L652-I655 HydrophobicContact CD2-CD1 4.49Å; I655-L701 HydrophobicContact CD1-CD1 3.85Å; I655-T705 PolarHBondContact N-O 3.41Å; I655-Y706 HydrophobicContact CB-CD2 3.93Å; I655-Y706 HydrophobicContact CG2-CD2 3.85Å; I655-Y706 HydrophobicContact CG2-CE2 3.99Å; I655-F707 PolarHBondContact O-N 2.85Å
656	V	98.6	Very high	90.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.7	172.1	178.2	0	0	0	0	107.8	I444 L445 S446 L464 F476 L658 F709 V748	I444-V656 PolarHBondContact O-N 2.85Å; L445-V656 WeakPolarHBondContact CA-O 3.47Å; L445-V656 HydrophobicContact CD1-CB 4.33Å; L445-V656 HydrophobicContact CD1-CG1 4.14Å; S446-V656 PolarHBondContact N-O 3.03Å; L464-V656 HydrophobicContact CD1-CG1 4.19Å; F476-V656 HydrophobicContact CE1-CB 3.92Å; F476-V656 HydrophobicContact CE1-CG2 3.79Å; F476-V656 HydrophobicContact CZ-CB 4.09Å; F476-V656 HydrophobicContact CZ-CG1 4.48Å; F476-V656 HydrophobicContact CZ-CG2 4.05Å; V656-L658 HydrophobicContact CG1-CD2 3.78Å; V656-L658 HydrophobicContact CG1-CG 4.33Å; V656-F709 HydrophobicContact CG1-CD2 4.18Å; V656-F709 HydrophobicContact CG1-CE2 4.2Å; V656-V748 HydrophobicContact CG2-CG1 3.64Å
657	S	98.4	Very high	89.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.2	-177.4	172	0	0	0	0	109.7	S446 S636 Y706 F707 R708 F709	S446-S657 WeakPolarHBondContact O-CA 3.17Å; S636-S657 WeakPolarHBondContact OG-CB 3.35Å; S636-S657 PolarHBondContact OG-OG 2.71Å; S636-S657 VanDerWaalsContact OG-OG 3.1Å; S657-Y706 PolarHBondContact OG-OH 2.84Å; S657-F707 PolarHBondContact N-O 2.77Å; S657-R708 CarbonylContact O-C 3.57Å; S657-R708 WeakPolarHBondContact O-CA 3.16Å; S657-R708 WeakPolarHBondContact OG-CD 3.43Å; S657-R708 PolarHBondContact OG-NH1 2.7Å; S657-F709 PolarHBondContact O-N 3.15Å
658	L	98.3	Very high	87.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	110.6	-174.8	-54.3	-174.1	0	0	0	110	L445 S446 D448 A457 T460 L461 V656 F709	L445-L658 HydrophobicContact CD1-CD1 3.77Å; L445-L658 HydrophobicContact CD1-CG 3.95Å; S446-L658 PolarHBondContact O-N 3.18Å; D448-L658 PolarHBondContact N-O 3.17Å; A457-L658 HydrophobicContact CB-CB 3.96Å; A457-L658 HydrophobicContact CB-CD1 4.19Å; T460-L658 HydrophobicContact CG2-CD2 3.56Å; L461-L658 HydrophobicContact CD1-CD1 3.82Å; L461-L658 HydrophobicContact CD2-CD1 3.75Å; L461-L658 HydrophobicContact CG-CD1 3.53Å; V656-L658 HydrophobicContact CG1-CD2 3.78Å; V656-L658 HydrophobicContact CG1-CG 4.33Å; L658-F709 HydrophobicContact CD2-CB 4Å; L658-F709 HydrophobicContact CD2-CD2 3.99Å; L658-F709 HydrophobicContact CD2-CG 4.41Å
659	G	96.4	Very high	85.8	Confident	2 Å²	2	63 Å²	63	2%	0.021	32%	0.32	C	S	.	.			trans	-80.7	156.6	169.9	0	0	0	0	0	111.7	G661 F709	G659-G661 VanDerWaalsContact C-N 3.25Å; G659-G661 PolarHBondContact O-N 3.19Å; G659-F709 PolarHBondContact N-O 3.11Å
660	T	93.9	Very high	84.2	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.031	32%	0.324	C	S	.	.			trans	-90.2	16.4	177.3	57.2	0	0	0	0	113	G449 G450 R453	G449-T660 PolarHBondContact O-OG1 2.94Å; G450-T660 WeakPolarHBondContact CA-OG1 3.36Å; R453-T660 WeakPolarHBondContact CB-O 3.22Å; R453-T660 PolarHBondContact NH2-OG1 3.15Å
661	G	90.7	Very high	82.8	Confident	8 Å²	8	65.7 Å²	65.7	8%	0.082	34%	0.342	C	S	.	.			trans	93.1	141.9	-171.5	0	0	0	0	0	112.7	G659 N710 P711	G659-G661 VanDerWaalsContact C-N 3.25Å; G659-G661 PolarHBondContact O-N 3.19Å; G661-N710 VanDerWaalsContact CA-OD1 3.25Å; G661-N710 WeakPolarHBondContact CA-OD1 3.44Å; G661-N710 PolarHBondContact N-OD1 3.18Å; G661-N710 VanDerWaalsContact N-OD1 3.08Å; G661-P711 WeakPolarHBondContact CA-O 3.45Å
662	R	89.3	Confident	81.2	Confident	86 Å²	86	67.9 Å²	67.9	33%	0.325	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-116.4	145	170.2	70	-173.1	-148.6	-158.2	2.2	110.3	E664 E691 P711 V712 M713	R662-E664 IonicContact CZ-OE1 3.97Å; R662-E664 IonicContact NE-OE1 3.59Å; R662-E664 PolarHBondContact NE-OE1 3.22Å; R662-E664 IonicContact NH2-OE1 3.96Å; R662-E664 PolarHBondContact NH2-OE1 3.33Å; R662-E664 IonicContact NH2-OE2 3.16Å; R662-E691 IonicContact CZ-OE2 2.73Å; R662-E691 IonicContact NH1-OE2 2.72Å; R662-E691 PolarHBondContact NH1-OE2 3.42Å; R662-P711 PolarHBondContact N-O 2.86Å; R662-V712 HydrophobicContact CG-CG2 4.12Å; R662-V712 CarbonylContact O-C 3.42Å; R662-V712 WeakPolarHBondContact O-CA 3.33Å; R662-M713 PolarHBondContact O-N 3.31Å
663	Y	85.5	Confident	79.5	Confident	100 Å²	100	73.7 Å²	73.7	39%	0.392	38%	0.379	S	S	.	.			trans	-115.9	126.9	173.7	174.3	-100	0	0	0	108.6	E715 N716	Y663-E715 VanDerWaalsContact CD2-C 3.42Å; Y663-N716 HydrophobicContact CD1-CB 3.58Å; Y663-N716 HydrophobicContact CD2-CB 4.17Å; Y663-N716 HydrophobicContact CE1-CB 3.69Å; Y663-N716 HydrophobicContact CE2-CB 4.28Å; Y663-N716 HydrophobicContact CG-CB 3.83Å
664	E	79.8	Confident	78.4	Confident	100 Å²	100	75.7 Å²	75.7	47%	0.467	39%	0.393	S	S	.	.			trans	-111.4	124	177	-76.5	166.3	-120.3	0	0	108.5	R662	R662-E664 IonicContact CZ-OE1 3.97Å; R662-E664 IonicContact NE-OE1 3.59Å; R662-E664 PolarHBondContact NE-OE1 3.22Å; R662-E664 IonicContact NH2-OE1 3.96Å; R662-E664 PolarHBondContact NH2-OE1 3.33Å; R662-E664 IonicContact NH2-OE2 3.16Å
665	S	70.7	Confident	77.7	Confident	74 Å²	74	78.6 Å²	78.6	52%	0.517	41%	0.414	S	S	.	.			trans	-98.3	110.3	173.5	60.9	0	0	0	0	110.4	V667	S665-V667 PolarHBondContact O-N 3.02Å; S665-V667 VanDerWaalsContact O-N 3.08Å
666	D	59.5	Low	76.8	Confident	160 Å²	160	85.9 Å²	85.9	86%	0.856	45%	0.452	S	S	*	.			trans	-64.2	-8.2	172.9	-74.1	-38.1	0	0	0	114	R668	D666-R668 PolarHBondContact O-N 3.11Å
667	V	59.8	Low	75.8	Confident	105 Å²	105	94.4 Å²	94.4	64%	0.636	49%	0.489	S	S	*	.			trans	-72.2	100.1	-179.6	-173.9	0	0	0	0	110.6	S665 N669	S665-V667 PolarHBondContact O-N 3.02Å; S665-V667 VanDerWaalsContact O-N 3.08Å; V667-N669 PolarHBondContact O-N 3.32Å
668	R	57.2	Low	75	Confident	230 Å²	230	97.1 Å²	97.1	87%	0.868	51%	0.505	S	S	*	.			trans	-61.4	103.1	164.2	-75.7	-174.4	176	-176.6	0	109.9	D666 T670	D666-R668 PolarHBondContact O-N 3.11Å; R668-T670 PolarHBondContact O-N 3.35Å
669	N	59.1	Low	74.1	Confident	134 Å²	134	102.6 Å²	102.6	72%	0.717	53%	0.529	S	S	*	.			trans	-61.7	104.9	171.1	-76	-38.3	0	0	0	110.4	V667 V671	V667-N669 PolarHBondContact O-N 3.32Å; N669-V671 PolarHBondContact O-N 3.2Å
670	T	57	Low	73.3	Confident	138 Å²	138	107.8 Å²	107.8	85%	0.847	56%	0.556	S	S	*	*			trans	-72.7	14.4	173.6	37.3	0	0	0	0	113.7	R668	R668-T670 PolarHBondContact O-N 3.35Å
671	V	62.6	Low	72.6	Confident	96 Å²	96	109.9 Å²	109.9	58%	0.582	57%	0.571	S	S	*	*			trans	-87.7	118.6	-171.9	-171.3	0	0	0	0	110.6	N669 H673	N669-V671 PolarHBondContact O-N 3.2Å; V671-H673 VanDerWaalsContact C-N 3.31Å; V671-H673 WeakPolarHBondContact CG1-O 3.39Å; V671-H673 PolarHBondContact O-N 3.38Å
672	T	61.3	Low	72.1	Confident	127 Å²	127	113.3 Å²	113.3	78%	0.779	59%	0.587	S	S	*	*	S	Bend	trans	-73.2	-17.1	-177.6	49.7	0	0	0	0	114.6
673	H	60.1	Low	71.8	Confident	159 Å²	159	113.9 Å²	113.9	74%	0.736	60%	0.6	S	S	*	*			trans	-137.3	124.8	-179.6	-67.2	-75.8	0	0	0	112.7	V671	V671-H673 VanDerWaalsContact C-N 3.31Å; V671-H673 WeakPolarHBondContact CG1-O 3.39Å; V671-H673 PolarHBondContact O-N 3.38Å
674	T	73.2	Confident	71.6	Confident	66 Å²	66	112.3 Å²	112.3	41%	0.405	60%	0.598	S	S	.	*			trans	-95.6	137.1	175.8	53.1	0	0	0	0	111.9	T678 K679	T674-T678 HydrophobicContact CG2-CG2 4.04Å; T674-K679 WeakPolarHBondContact O-CE 3.3Å; T674-K679 VanDerWaalsContact OG1-CE 3.26Å; T674-K679 WeakPolarHBondContact OG1-CE 3.39Å; T674-K679 WeakPolarHBondContact OG1-CG 3.47Å
675	S	82.7	Confident	71.6	Confident	61 Å²	61	111.8 Å²	111.8	43%	0.427	60%	0.598	S	S	.	*			trans	-65.3	161.9	176.5	81.2	0	0	0	0	112.1	K677 T678 K679	S675-K677 VanDerWaalsContact C-N 3.27Å; S675-K677 PolarHBondContact O-N 2.82Å; S675-K677 PolarHBondContact OG-N 2.91Å; S675-T678 WeakPolarHBondContact O-CB 3.31Å; S675-T678 PolarHBondContact O-N 2.87Å; S675-T678 VanDerWaalsContact O-N 3.1Å; S675-T678 PolarHBondContact OG-N 3.29Å; S675-T678 PolarHBondContact OG-OG1 3.22Å; S675-K679 WeakPolarHBondContact O-CG 3.48Å; S675-K679 PolarHBondContact O-N 3.38Å
676	L	79.4	Confident	72	Confident	153 Å²	153	112.8 Å²	112.8	80%	0.801	61%	0.605	S	S	*	*	H	α-helix	trans	-58.3	-38.7	173.4	-76.4	169.5	0	0	0	112.4	K679 L680	L676-K679 PolarHBondContact O-N 3.08Å; L676-L680 WeakPolarHBondContact O-CB 3.46Å; L676-L680 PolarHBondContact O-N 3.46Å
677	K	77.6	Confident	73	Confident	179 Å²	179	106.9 Å²	106.9	78%	0.778	58%	0.578	S	S	*	*	H	α-helix	trans	-62.2	-42.5	174.1	-174.9	178.4	179.9	-179.7	0	111.3	S675 L680 S681	S675-K677 VanDerWaalsContact C-N 3.27Å; S675-K677 PolarHBondContact O-N 2.82Å; S675-K677 PolarHBondContact OG-N 2.91Å; K677-L680 PolarHBondContact O-N 3.02Å; K677-S681 WeakPolarHBondContact O-CB 3.23Å; K677-S681 PolarHBondContact O-N 3.3Å
678	T	80.3	Confident	74	Confident	56 Å²	56	104.1 Å²	104.1	34%	0.344	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-43	175.8	-47.3	0	0	0	0	111.3	T674 S675 S681 N682	T674-T678 HydrophobicContact CG2-CG2 4.04Å; S675-T678 WeakPolarHBondContact O-CB 3.31Å; S675-T678 PolarHBondContact O-N 2.87Å; S675-T678 VanDerWaalsContact O-N 3.1Å; S675-T678 PolarHBondContact OG-N 3.29Å; S675-T678 PolarHBondContact OG-OG1 3.22Å; T678-S681 PolarHBondContact O-N 3.36Å; T678-N682 WeakPolarHBondContact O-CB 3.36Å; T678-N682 PolarHBondContact O-N 2.89Å; T678-N682 PolarHBondContact O-OD1 3.4Å
679	K	80.8	Confident	75.4	Confident	115 Å²	115	96.1 Å²	96.1	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-62.9	-44.2	176.5	-70	-178.5	-177.2	-174.9	0	112	T674 S675 L676 N682 V683	T674-K679 WeakPolarHBondContact O-CE 3.3Å; T674-K679 VanDerWaalsContact OG1-CE 3.26Å; T674-K679 WeakPolarHBondContact OG1-CE 3.39Å; T674-K679 WeakPolarHBondContact OG1-CG 3.47Å; S675-K679 WeakPolarHBondContact O-CG 3.48Å; S675-K679 PolarHBondContact O-N 3.38Å; L676-K679 PolarHBondContact O-N 3.08Å; K679-N682 PolarHBondContact O-N 2.83Å; K679-V683 WeakPolarHBondContact O-CG2 3.33Å; K679-V683 PolarHBondContact O-N 3.48Å
680	L	78.9	Confident	76.9	Confident	112 Å²	112	90.4 Å²	90.4	59%	0.586	51%	0.506	S	S	*	.	H	α-helix	trans	-63	-45.9	175.9	-178.2	60.8	0	0	0	111.3	L676 K677 N682 V683 I684	L676-L680 WeakPolarHBondContact O-CB 3.46Å; L676-L680 PolarHBondContact O-N 3.46Å; K677-L680 PolarHBondContact O-N 3.02Å; L680-N682 VanDerWaalsContact C-N 3.33Å; L680-N682 PolarHBondContact O-N 3.25Å; L680-V683 PolarHBondContact O-N 2.87Å; L680-I684 HydrophobicContact CD1-CD1 4.25Å; L680-I684 HydrophobicContact CG-CD1 3.99Å; L680-I684 WeakPolarHBondContact O-CG1 3.17Å; L680-I684 PolarHBondContact O-N 3.48Å
681	S	78.9	Confident	78.6	Confident	49 Å²	49	85 Å²	85	34%	0.343	47%	0.472	S	S	.	.	H	α-helix	trans	-60.2	-41.2	175.1	-179.8	0	0	0	0	112.1	K677 T678 V683 I684 N685	K677-S681 WeakPolarHBondContact O-CB 3.23Å; K677-S681 PolarHBondContact O-N 3.3Å; T678-S681 PolarHBondContact O-N 3.36Å; S681-V683 PolarHBondContact O-N 3.17Å; S681-I684 PolarHBondContact O-N 3.48Å; S681-N685 VanDerWaalsContact O-CB 3.31Å; S681-N685 WeakPolarHBondContact O-CB 3.15Å; S681-N685 PolarHBondContact O-N 2.95Å; S681-N685 PolarHBondContact O-ND2 3.32Å; S681-N685 PolarHBondContact O-OD1 3.44Å
682	N	80.8	Confident	79.9	Confident	80 Å²	80	87.1 Å²	87.1	43%	0.428	48%	0.475	S	S	.	.	H	α-helix	trans	-63.2	-42.3	175.8	-70.3	3.2	0	0	0	111.6	T678 K679 L680 N685 S686	T678-N682 WeakPolarHBondContact O-CB 3.36Å; T678-N682 PolarHBondContact O-N 2.89Å; T678-N682 PolarHBondContact O-OD1 3.4Å; K679-N682 PolarHBondContact O-N 2.83Å; L680-N682 VanDerWaalsContact C-N 3.33Å; L680-N682 PolarHBondContact O-N 3.25Å; N682-N685 PolarHBondContact O-N 3.18Å; N682-S686 WeakPolarHBondContact O-CB 3.26Å; N682-S686 PolarHBondContact O-N 3.27Å; N682-S686 PolarHBondContact O-OG 3.44Å
683	V	83.2	Confident	81.5	Confident	98 Å²	98	82.5 Å²	82.5	59%	0.594	45%	0.447	S	S	*	.	H	α-helix	trans	-62.9	-44	175.9	170.1	0	0	0	0	111.4	K679 L680 S681 A687	K679-V683 WeakPolarHBondContact O-CG2 3.33Å; K679-V683 PolarHBondContact O-N 3.48Å; L680-V683 PolarHBondContact O-N 2.87Å; S681-V683 PolarHBondContact O-N 3.17Å; V683-A687 WeakPolarHBondContact O-CB 3.3Å; V683-A687 PolarHBondContact O-N 3.4Å
684	I	81.1	Confident	83.1	Confident	66 Å²	66	76.7 Å²	76.7	34%	0.338	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-52.6	175.7	-67.5	166.5	0	0	0	109.8	L680 S681 S686 A687 T688	L680-I684 HydrophobicContact CD1-CD1 4.25Å; L680-I684 HydrophobicContact CG-CD1 3.99Å; L680-I684 WeakPolarHBondContact O-CG1 3.17Å; L680-I684 PolarHBondContact O-N 3.48Å; S681-I684 PolarHBondContact O-N 3.48Å; I684-S686 VanDerWaalsContact C-N 3.3Å; I684-S686 PolarHBondContact O-N 2.95Å; I684-A687 PolarHBondContact O-N 3.48Å; I684-T688 HydrophobicContact CG2-CG2 4.21Å; I684-T688 WeakPolarHBondContact O-CG2 3.44Å; I684-T688 PolarHBondContact O-N 3.05Å; I684-T688 PolarHBondContact O-OG1 3.29Å; I684-T688 VanDerWaalsContact O-OG1 3.08Å
685	N	80.1	Confident	84.2	Confident	90 Å²	90	78.7 Å²	78.7	48%	0.481	43%	0.427	S	S	.	.	H	α-helix	trans	-56.6	-43.4	-179.3	-66.6	-4	0	0	0	111.7	S681 N682 T688 D689	S681-N685 VanDerWaalsContact O-CB 3.31Å; S681-N685 WeakPolarHBondContact O-CB 3.15Å; S681-N685 PolarHBondContact O-N 2.95Å; S681-N685 PolarHBondContact O-ND2 3.32Å; S681-N685 PolarHBondContact O-OD1 3.44Å; N682-N685 PolarHBondContact O-N 3.18Å; N685-T688 WeakPolarHBondContact CA-OG1 3.16Å; N685-T688 CarbonylContact O-C 3.56Å; N685-T688 PolarHBondContact O-N 2.86Å; N685-T688 PolarHBondContact O-OG1 3.36Å; N685-T688 VanDerWaalsContact O-OG1 3.07Å; N685-D689 PolarHBondContact O-N 3.01Å; N685-D689 VanDerWaalsContact O-N 3.1Å
686	S	79	Confident	84.8	Confident	94 Å²	94	80 Å²	80	66%	0.657	43%	0.427	S	S	*	.	H	α-helix	trans	-66	-36.8	175.3	-63	0	0	0	0	113.4	N682 I684 D689	N682-S686 WeakPolarHBondContact O-CB 3.26Å; N682-S686 PolarHBondContact O-N 3.27Å; N682-S686 PolarHBondContact O-OG 3.44Å; I684-S686 VanDerWaalsContact C-N 3.3Å; I684-S686 PolarHBondContact O-N 2.95Å; S686-D689 PolarHBondContact O-N 3.48Å
687	A	79.6	Confident	85.6	Confident	36 Å²	36	72.9 Å²	72.9	30%	0.298	39%	0.39	S	S	.	.	H	α-helix	trans	-72.5	-32.5	176.8	0	0	0	0	0	112.5	L630 V683 I684 D689	L630-A687 HydrophobicContact CD1-CB 4.41Å; V683-A687 WeakPolarHBondContact O-CB 3.3Å; V683-A687 PolarHBondContact O-N 3.4Å; I684-A687 PolarHBondContact O-N 3.48Å; A687-D689 VanDerWaalsContact C-N 3.32Å
688	T	81.3	Confident	86.5	Confident	47 Å²	47	69 Å²	69	29%	0.288	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	1.6	175	61.1	0	0	0	0	114	G629 N633 I684 N685	G629-T688 WeakPolarHBondContact O-CA 3.48Å; N633-T688 WeakPolarHBondContact CB-O 3.36Å; N633-T688 PolarHBondContact ND2-O 3.02Å; I684-T688 HydrophobicContact CG2-CG2 4.21Å; I684-T688 WeakPolarHBondContact O-CG2 3.44Å; I684-T688 PolarHBondContact O-N 3.05Å; I684-T688 PolarHBondContact O-OG1 3.29Å; I684-T688 VanDerWaalsContact O-OG1 3.08Å; N685-T688 WeakPolarHBondContact CA-OG1 3.16Å; N685-T688 CarbonylContact O-C 3.56Å; N685-T688 PolarHBondContact O-N 2.86Å; N685-T688 PolarHBondContact O-OG1 3.36Å; N685-T688 VanDerWaalsContact O-OG1 3.07Å
689	D	87	Confident	87.2	Confident	62 Å²	62	69.6 Å²	69.6	33%	0.332	40%	0.395	S	S	.	.			trans	-62	144.6	179.4	-179.1	49.9	0	0	0	111.2	N685 S686 A687 E691 E692	N685-D689 PolarHBondContact O-N 3.01Å; N685-D689 VanDerWaalsContact O-N 3.1Å; S686-D689 PolarHBondContact O-N 3.48Å; A687-D689 VanDerWaalsContact C-N 3.32Å; D689-E691 PolarHBondContact OD1-N 3.17Å; D689-E691 PolarHBondContact OD2-N 2.92Å; D689-E692 PolarHBondContact OD2-N 2.92Å
690	T	90.4	Very high	88	Confident	14 Å²	14	70.6 Å²	70.6	9%	0.086	41%	0.405	C	S	.	.			trans	-113.7	-12.8	-175.7	60.8	0	0	0	0	112.4	D448 N633 N634 H694 R708	D448-T690 HydrophobicContact CB-CG2 4.46Å; D448-T690 WeakPolarHBondContact OD2-CB 3.32Å; D448-T690 VanDerWaalsContact OD2-CG2 3.29Å; D448-T690 WeakPolarHBondContact OD2-CG2 3.16Å; N633-T690 HydrophobicContact CB-CG2 4Å; N633-T690 WeakPolarHBondContact ND2-CG2 3.49Å; N634-T690 HydrophobicContact CB-CG2 4.12Å; N634-T690 PolarHBondContact ND2-O 3.37Å; T690-H694 PolarHBondContact O-N 3.12Å; T690-R708 PolarHBondContact OG1-NH2 3.13Å
691	E	91.4	Very high	88.8	Confident	26 Å²	26	66.7 Å²	66.7	12%	0.121	38%	0.384	C	S	.	.	H	α-helix	trans	-88.6	-31.6	-168	-58.8	-64.1	113.1	0	0	111.8	R662 D689 V693 H694 I695 R708 N710	R662-E691 IonicContact CZ-OE2 2.73Å; R662-E691 IonicContact NH1-OE2 2.72Å; R662-E691 PolarHBondContact NH1-OE2 3.42Å; D689-E691 PolarHBondContact OD1-N 3.17Å; D689-E691 PolarHBondContact OD2-N 2.92Å; E691-V693 VanDerWaalsContact C-N 3.31Å; E691-V693 PolarHBondContact O-N 3.15Å; E691-H694 CarbonylContact O-C 3.57Å; E691-H694 WeakPolarHBondContact O-CA 3.38Å; E691-H694 WeakPolarHBondContact O-CB 3.47Å; E691-H694 PolarHBondContact O-N 2.63Å; E691-H694 IonicContact OE2-CD2 3.02Å; E691-I695 VanDerWaalsContact O-CG1 3.29Å; E691-I695 WeakPolarHBondContact O-CG1 3.41Å; E691-I695 PolarHBondContact O-N 3.28Å; E691-R708 IonicContact OE1-CZ 2.69Å; E691-R708 IonicContact OE1-NE 3.1Å; E691-R708 IonicContact OE1-NH2 2.69Å; E691-R708 PolarHBondContact OE1-NH2 3.33Å; E691-N710 PolarHBondContact OE1-ND2 3.06Å
692	E	90.9	Very high	89.5	Confident	140 Å²	140	68.1 Å²	68.1	65%	0.654	39%	0.392	S	S	*	.	H	α-helix	trans	-55.3	-44	169	-73.7	-63.6	139.5	0	0	112.3	D689 H694 M696	D689-E692 PolarHBondContact OD2-N 2.92Å; E692-H694 VanDerWaalsContact C-N 3.35Å; E692-M696 WeakPolarHBondContact O-CB 3.26Å; E692-M696 PolarHBondContact O-N 3.39Å
693	V	94.3	Very high	90.1	Very high	30 Å²	30	70 Å²	70	18%	0.182	41%	0.409	C	S	.	.	H	α-helix	trans	-68	-35.8	175.4	177.8	0	0	0	0	111.3	N634 A637 E691 L697	N634-V693 HydrophobicContact CB-CB 4.12Å; N634-V693 HydrophobicContact CB-CG1 4.24Å; A637-V693 HydrophobicContact CB-CG1 4.22Å; E691-V693 VanDerWaalsContact C-N 3.31Å; E691-V693 PolarHBondContact O-N 3.15Å; V693-L697 HydrophobicContact CG1-CD1 3.95Å; V693-L697 HydrophobicContact CG1-CG 4.44Å; V693-L697 WeakPolarHBondContact O-CB 3.16Å; V693-L697 WeakPolarHBondContact O-CG 3.41Å; V693-L697 PolarHBondContact O-N 2.75Å; V693-L697 VanDerWaalsContact O-N 3.08Å
694	H	95	Very high	90.5	Very high	37 Å²	37	68.7 Å²	68.7	17%	0.171	40%	0.399	C	S	.	.	H	α-helix	trans	-63.3	-51.4	174.7	169.5	21.9	0	0	0	111.2	T690 E691 E692 M696 L697 D698 Y706 R708	T690-H694 PolarHBondContact O-N 3.12Å; E691-H694 CarbonylContact O-C 3.57Å; E691-H694 WeakPolarHBondContact O-CA 3.38Å; E691-H694 WeakPolarHBondContact O-CB 3.47Å; E691-H694 PolarHBondContact O-N 2.63Å; E691-H694 IonicContact OE2-CD2 3.02Å; E692-H694 VanDerWaalsContact C-N 3.35Å; H694-M696 VanDerWaalsContact C-N 3.33Å; H694-M696 PolarHBondContact O-N 2.8Å; H694-L697 PolarHBondContact O-N 2.66Å; H694-D698 IonicContact CE1-OD1 3.34Å; H694-D698 VanDerWaalsContact O-CB 3.28Å; H694-D698 WeakPolarHBondContact O-CB 3.25Å; H694-D698 PolarHBondContact O-N 2.98Å; H694-Y706 AromaticContact ND1-CE1 3.37Å; H694-Y706 WeakPolarHBondContact ND1-CE1 3.42Å; H694-R708 HydrophobicContact CB-CG 4.42Å
695	I	95.3	Very high	91.3	Very high	108 Å²	108	66.4 Å²	66.4	55%	0.554	39%	0.388	S	S	*	.	H	α-helix	trans	-59.1	-45.7	-179.5	-67.3	162.6	0	0	0	110.2	E691 L697 G699	E691-I695 VanDerWaalsContact O-CG1 3.29Å; E691-I695 WeakPolarHBondContact O-CG1 3.41Å; E691-I695 PolarHBondContact O-N 3.28Å; I695-L697 PolarHBondContact O-N 3.19Å; I695-G699 PolarHBondContact O-N 3.41Å
696	M	96.1	Very high	92.1	Very high	89 Å²	89	62.7 Å²	62.7	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-59.7	-47	177.3	-179	-169.4	66.2	0	0	112.2	A637 E692 H694 L700	A637-M696 HydrophobicContact CB-CE 3.93Å; E692-M696 WeakPolarHBondContact O-CB 3.26Å; E692-M696 PolarHBondContact O-N 3.39Å; H694-M696 VanDerWaalsContact C-N 3.33Å; H694-M696 PolarHBondContact O-N 2.8Å; M696-L700 HydrophobicContact CG-CD1 3.78Å; M696-L700 VanDerWaalsContact O-CB 3.3Å; M696-L700 WeakPolarHBondContact O-CB 3.5Å; M696-L700 WeakPolarHBondContact O-CG 3.4Å; M696-L700 PolarHBondContact O-N 3.12Å; M696-L700 VanDerWaalsContact O-N 3.17Å
697	L	96.4	Very high	93	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-73.7	-35.7	-177.5	-70.6	176.6	0	0	0	112.8	A637 M640 V693 H694 I695 L701 Y706	A637-L697 HydrophobicContact CB-CD1 4.46Å; A637-L697 HydrophobicContact CB-CD2 4.48Å; M640-L697 HydrophobicContact CE-CD2 3.79Å; M640-L697 HydrophobicContact SD-CD2 4.4Å; V693-L697 HydrophobicContact CG1-CD1 3.95Å; V693-L697 HydrophobicContact CG1-CG 4.44Å; V693-L697 WeakPolarHBondContact O-CB 3.16Å; V693-L697 WeakPolarHBondContact O-CG 3.41Å; V693-L697 PolarHBondContact O-N 2.75Å; V693-L697 VanDerWaalsContact O-N 3.08Å; H694-L697 PolarHBondContact O-N 2.66Å; I695-L697 PolarHBondContact O-N 3.19Å; L697-L701 HydrophobicContact CB-CD1 4.23Å; L697-L701 HydrophobicContact CD2-CD1 4.19Å; L697-L701 VanDerWaalsContact O-CB 3.27Å; L697-L701 WeakPolarHBondContact O-CB 3.49Å; L697-L701 WeakPolarHBondContact O-CG 3.27Å; L697-L701 PolarHBondContact O-N 3Å; L697-Y706 HydrophobicContact CB-CD1 3.82Å; L697-Y706 HydrophobicContact CB-CE1 3.64Å; L697-Y706 HydrophobicContact CB-CE2 4.4Å; L697-Y706 HydrophobicContact CB-CG 4.26Å; L697-Y706 HydrophobicContact CD1-CE2 4.1Å
698	D	95.9	Very high	93.8	Very high	97 Å²	97	57.1 Å²	57.1	52%	0.519	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-40.1	176.9	-158.8	76.2	0	0	0	111.6	H694 Y706	H694-D698 IonicContact CE1-OD1 3.34Å; H694-D698 VanDerWaalsContact O-CB 3.28Å; H694-D698 WeakPolarHBondContact O-CB 3.25Å; H694-D698 PolarHBondContact O-N 2.98Å; D698-Y706 HydrophobicContact CB-CD1 4.11Å; D698-Y706 HydrophobicContact CB-CE1 4.45Å
699	G	95.6	Very high	94.6	Very high	68 Å²	68	54.9 Å²	54.9	70%	0.701	31%	0.311	S	S	*	.	H	α-helix	trans	-77.5	-21.4	177.4	0	0	0	0	0	115.8	I695	I695-G699 PolarHBondContact O-N 3.41Å
700	L	96.3	Very high	95	Very high	136 Å²	136	52.5 Å²	52.5	71%	0.712	30%	0.298	S	S	*	.	H	α-helix	trans	-100.7	-27.4	-177.5	-70.3	178.4	0	0	0	114.5	M696	M696-L700 HydrophobicContact CG-CD1 3.78Å; M696-L700 VanDerWaalsContact O-CB 3.3Å; M696-L700 WeakPolarHBondContact O-CB 3.5Å; M696-L700 WeakPolarHBondContact O-CG 3.4Å; M696-L700 PolarHBondContact O-N 3.12Å; M696-L700 VanDerWaalsContact O-N 3.17Å
701	L	95.9	Very high	95.2	Very high	30 Å²	30	52 Å²	52	16%	0.157	30%	0.295	C	S	.	.	S	Bend	trans	-88.9	152.6	-177.6	-67.5	172.7	0	0	0	111.6	M640 L652 I655 L697 Y706	M640-L701 HydrophobicContact SD-CD1 4.42Å; M640-L701 HydrophobicContact SD-CD2 3.99Å; L652-L701 HydrophobicContact CD1-CD2 4.15Å; I655-L701 HydrophobicContact CD1-CD1 3.85Å; L697-L701 HydrophobicContact CB-CD1 4.23Å; L697-L701 HydrophobicContact CD2-CD1 4.19Å; L697-L701 VanDerWaalsContact O-CB 3.27Å; L697-L701 WeakPolarHBondContact O-CB 3.49Å; L697-L701 WeakPolarHBondContact O-CG 3.27Å; L697-L701 PolarHBondContact O-N 3Å; L701-Y706 HydrophobicContact CD1-CG 4.39Å
702	P	94.8	Very high	95.2	Very high	79 Å²	79	54.5 Å²	54.5	51%	0.513	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-59.5	151.7	173.2	-20.4	32.4	0	0	0	111.3	T705	P702-T705 VanDerWaalsContact O-CB 3.23Å; P702-T705 WeakPolarHBondContact O-CB 3.47Å; P702-T705 PolarHBondContact O-N 2.88Å; P702-T705 VanDerWaalsContact O-N 3.16Å; P702-T705 PolarHBondContact O-OG1 2.86Å
703	P	92.4	Very high	95.1	Very high	119 Å²	119	48.5 Å²	48.5	77%	0.773	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	147.8	173.5	25.1	-35.1	0	0	0	110.3	T705	P703-T705 PolarHBondContact O-N 2.88Å; P703-T705 VanDerWaalsContact O-N 3.17Å
704	D	92.8	Very high	94.7	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	13.6	-178.3	-52.9	-32.6	0	0	0	115.7	F707 K747 I751	D704-F707 HydrophobicContact CB-CZ 4.09Å; D704-F707 WeakPolarHBondContact O-CE2 3.43Å; D704-F707 VanDerWaalsContact O-CZ 3.26Å; D704-F707 WeakPolarHBondContact O-CZ 3.35Å; D704-K747 WeakPolarHBondContact OD1-CE 3.37Å; D704-K747 IonicContact OD1-NZ 2.69Å; D704-K747 PolarHBondContact OD1-NZ 3.41Å; D704-K747 WeakPolarHBondContact OD2-CE 3.39Å; D704-K747 IonicContact OD2-NZ 3.73Å; D704-K747 PolarHBondContact OD2-NZ 2.98Å; D704-I751 HydrophobicContact CB-CD1 4.39Å
705	T	95.9	Very high	94.4	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.104	32%	0.319	C	S	.	.	S	Bend	trans	-95.9	-32.5	170.8	-49.8	0	0	0	0	112	L652 C654 I655 P702 P703	L652-T705 HydrophobicContact CB-CG2 4.05Å; C654-T705 CarbonylContact C-O 3.58Å; C654-T705 VanDerWaalsContact CA-O 3.24Å; C654-T705 WeakPolarHBondContact CA-O 3.42Å; I655-T705 PolarHBondContact N-O 3.41Å; P702-T705 VanDerWaalsContact O-CB 3.23Å; P702-T705 WeakPolarHBondContact O-CB 3.47Å; P702-T705 PolarHBondContact O-N 2.88Å; P702-T705 VanDerWaalsContact O-N 3.16Å; P702-T705 PolarHBondContact O-OG1 2.86Å; P703-T705 PolarHBondContact O-N 2.88Å; P703-T705 VanDerWaalsContact O-N 3.17Å
706	Y	97.8	Very high	94	Very high	13 Å²	13	54 Å²	54	5%	0.051	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.8	-177.4	-176	-132.9	0	0	0	112.1	I655 S657 H694 L697 D698 L701 R708	I655-Y706 HydrophobicContact CB-CD2 3.93Å; I655-Y706 HydrophobicContact CG2-CD2 3.85Å; I655-Y706 HydrophobicContact CG2-CE2 3.99Å; S657-Y706 PolarHBondContact OG-OH 2.84Å; H694-Y706 AromaticContact ND1-CE1 3.37Å; H694-Y706 WeakPolarHBondContact ND1-CE1 3.42Å; L697-Y706 HydrophobicContact CB-CD1 3.82Å; L697-Y706 HydrophobicContact CB-CE1 3.64Å; L697-Y706 HydrophobicContact CB-CE2 4.4Å; L697-Y706 HydrophobicContact CB-CG 4.26Å; L697-Y706 HydrophobicContact CD1-CE2 4.1Å; D698-Y706 HydrophobicContact CB-CD1 4.11Å; D698-Y706 HydrophobicContact CB-CE1 4.45Å; L701-Y706 HydrophobicContact CD1-CG 4.39Å; Y706-R708 HydrophobicContact CE1-CB 4.36Å
707	F	97.9	Very high	93.6	Very high	7 Å²	7	50 Å²	50	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	92.3	-177.7	-59.6	-84.8	0	0	0	110.6	C654 I655 S657 D704 F709 K744 V748 I751	C654-F707 HydrophobicContact CB-CD2 4.25Å; C654-F707 HydrophobicContact CB-CE2 4.09Å; I655-F707 PolarHBondContact O-N 2.85Å; S657-F707 PolarHBondContact N-O 2.77Å; D704-F707 HydrophobicContact CB-CZ 4.09Å; D704-F707 WeakPolarHBondContact O-CE2 3.43Å; D704-F707 VanDerWaalsContact O-CZ 3.26Å; D704-F707 WeakPolarHBondContact O-CZ 3.35Å; F707-F709 HydrophobicContact CB-CE2 3.8Å; F707-F709 HydrophobicContact CB-CZ 4.35Å; F707-K744 HydrophobicContact CD1-CG 4.08Å; F707-V748 HydrophobicContact CB-CG2 3.68Å; F707-V748 HydrophobicContact CD1-CG2 3.28Å; F707-V748 HydrophobicContact CD2-CG2 3.61Å; F707-V748 HydrophobicContact CE1-CG2 3.68Å; F707-V748 HydrophobicContact CE2-CG2 3.97Å; F707-V748 HydrophobicContact CG-CG2 3.23Å; F707-V748 HydrophobicContact CZ-CG2 4Å; F707-I751 HydrophobicContact CE2-CD1 3.84Å; F707-I751 HydrophobicContact CZ-CD1 3.61Å
708	R	97.4	Very high	93.1	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.019	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.1	168.7	-174.4	69.1	170.6	158.2	2.7	111.2	D448 S657 T690 E691 H694 Y706 N710 K744	D448-R708 VanDerWaalsContact CG-NH1 3.28Å; D448-R708 IonicContact OD1-NH1 3.29Å; D448-R708 PolarHBondContact OD1-NH1 3.4Å; D448-R708 IonicContact OD2-CZ 2.7Å; D448-R708 IonicContact OD2-NH1 3.17Å; D448-R708 PolarHBondContact OD2-NH1 3.07Å; D448-R708 IonicContact OD2-NH2 2.62Å; D448-R708 PolarHBondContact OD2-NH2 3.13Å; S657-R708 CarbonylContact O-C 3.57Å; S657-R708 WeakPolarHBondContact O-CA 3.16Å; S657-R708 WeakPolarHBondContact OG-CD 3.43Å; S657-R708 PolarHBondContact OG-NH1 2.7Å; T690-R708 PolarHBondContact OG1-NH2 3.13Å; E691-R708 IonicContact OE1-CZ 2.69Å; E691-R708 IonicContact OE1-NE 3.1Å; E691-R708 IonicContact OE1-NH2 2.69Å; E691-R708 PolarHBondContact OE1-NH2 3.33Å; H694-R708 HydrophobicContact CB-CG 4.42Å; Y706-R708 HydrophobicContact CE1-CB 4.36Å; R708-N710 HydrophobicContact CG-CB 4.27Å; R708-N710 PolarHBondContact NH2-ND2 3.31Å; R708-K744 WeakPolarHBondContact O-CE 3.44Å; R708-K744 PolarHBondContact O-NZ 3.3Å
709	F	97.3	Very high	92.6	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	102.3	167.2	-62.6	-81.8	0	0	0	107.7	T460 V656 S657 L658 G659 F707 Y737 K744 M745 V748	T460-F709 HydrophobicContact CG2-CB 4.01Å; T460-F709 HydrophobicContact CG2-CD1 4.3Å; T460-F709 HydrophobicContact CG2-CD2 3.98Å; T460-F709 HydrophobicContact CG2-CG 3.83Å; V656-F709 HydrophobicContact CG1-CD2 4.18Å; V656-F709 HydrophobicContact CG1-CE2 4.2Å; S657-F709 PolarHBondContact O-N 3.15Å; L658-F709 HydrophobicContact CD2-CB 4Å; L658-F709 HydrophobicContact CD2-CD2 3.99Å; L658-F709 HydrophobicContact CD2-CG 4.41Å; G659-F709 PolarHBondContact N-O 3.11Å; F707-F709 HydrophobicContact CB-CE2 3.8Å; F707-F709 HydrophobicContact CB-CZ 4.35Å; F709-Y737 HydrophobicContact CB-CE1 4.2Å; F709-Y737 HydrophobicContact CD1-CE1 4.19Å; F709-K744 HydrophobicContact CD1-CD 4.39Å; F709-K744 HydrophobicContact CE1-CB 4.16Å; F709-K744 HydrophobicContact CE1-CD 3.73Å; F709-K744 HydrophobicContact CE1-CG 3.84Å; F709-K744 HydrophobicContact CZ-CB 4.47Å; F709-K744 HydrophobicContact CZ-CD 4.08Å; F709-K744 HydrophobicContact CZ-CG 3.87Å; F709-M745 HydrophobicContact CD1-SD 3.9Å; F709-M745 HydrophobicContact CE1-CG 4.06Å; F709-M745 HydrophobicContact CE1-SD 3.26Å; F709-M745 WeakPolarHBondContact CE1-SD 3.36Å; F709-M745 HydrophobicContact CE2-SD 4.25Å; F709-M745 HydrophobicContact CZ-CG 4.49Å; F709-M745 HydrophobicContact CZ-SD 3.47Å; F709-M745 WeakPolarHBondContact CZ-SD 3.46Å; F709-V748 HydrophobicContact CE2-CG2 4.11Å; F709-V748 HydrophobicContact CZ-CG2 3.95Å
710	N	95.9	Very high	92	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.059	28%	0.283	C	S	.	.			trans	-141.8	98.6	179.3	-167	21	0	0	0	108.5	G661 E691 R708 Y737	G661-N710 VanDerWaalsContact CA-OD1 3.25Å; G661-N710 WeakPolarHBondContact CA-OD1 3.44Å; G661-N710 PolarHBondContact N-OD1 3.18Å; G661-N710 VanDerWaalsContact N-OD1 3.08Å; E691-N710 PolarHBondContact OE1-ND2 3.06Å; R708-N710 HydrophobicContact CG-CB 4.27Å; R708-N710 PolarHBondContact NH2-ND2 3.31Å; N710-Y737 PolarHBondContact N-OH 2.91Å
711	P	93.8	Very high	91.6	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.026	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.2	145	178.1	13.6	-19.5	0	0	0	112.8	V456 G661 R662 M713 Y737	V456-P711 HydrophobicContact CG1-CG 3.35Å; G661-P711 WeakPolarHBondContact CA-O 3.45Å; R662-P711 PolarHBondContact N-O 2.86Å; P711-M713 HydrophobicContact CB-CE 4.12Å; P711-M713 HydrophobicContact CG-CE 3.7Å; P711-Y737 HydrophobicContact CB-CD1 4.08Å; P711-Y737 HydrophobicContact CB-CD2 3.77Å; P711-Y737 HydrophobicContact CB-CE2 4.33Å; P711-Y737 HydrophobicContact CB-CG 3.61Å; P711-Y737 HydrophobicContact CG-CD1 4.21Å; P711-Y737 HydrophobicContact CG-CG 4.23Å
712	V	91.4	Very high	91.2	Very high	78 Å²	78	44.2 Å²	44.2	47%	0.473	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-83.5	122.5	165.2	-170.8	0	0	0	0	107.8	R662	R662-V712 HydrophobicContact CG-CG2 4.12Å; R662-V712 CarbonylContact O-C 3.42Å; R662-V712 WeakPolarHBondContact O-CA 3.33Å
713	M	89.3	Confident	90.9	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.074	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-88.3	146.9	-177	-61.3	-58.3	176.4	0	0	111.7	V456 R662 P711 E715 L730 E733	V456-M713 HydrophobicContact CB-CE 4.26Å; V456-M713 HydrophobicContact CG1-CE 3.78Å; V456-M713 HydrophobicContact CG2-CE 3.45Å; V456-M713 VanDerWaalsContact CG2-CE 3.45Å; R662-M713 PolarHBondContact O-N 3.31Å; P711-M713 HydrophobicContact CB-CE 4.12Å; P711-M713 HydrophobicContact CG-CE 3.7Å; M713-E715 VanDerWaalsContact C-N 3.29Å; M713-E715 PolarHBondContact O-N 3.03Å; M713-L730 HydrophobicContact CE-CD2 3.83Å; M713-L730 HydrophobicContact CG-CD2 4.35Å; M713-L730 HydrophobicContact SD-CD2 3.85Å; M713-E733 WeakPolarHBondContact CA-OE2 3.37Å; M713-E733 HydrophobicContact SD-CB 4.04Å
714	C	86.6	Confident	90.7	Very high	106 Å²	106	45 Å²	45	72%	0.716	24%	0.242	S	C	*	.	S	Bend	trans	-70.3	-25.4	176.2	-65.8	0	0	0	0	113	E733	C714-E733 PolarHBondContact N-OE2 3.09Å
715	E	86.9	Confident	90.7	Very high	78 Å²	78	48.3 Å²	48.3	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-136.9	147.7	-170.9	-172.5	178.6	177.1	0	0	111.5	Y663 M713 I717 K726 Q729	Y663-E715 VanDerWaalsContact CD2-C 3.42Å; M713-E715 VanDerWaalsContact C-N 3.29Å; M713-E715 PolarHBondContact O-N 3.03Å; E715-I717 VanDerWaalsContact C-N 3.34Å; E715-I717 HydrophobicContact CB-CG1 4.35Å; E715-I717 HydrophobicContact CG-CG1 4.33Å; E715-I717 PolarHBondContact O-N 3.44Å; E715-K726 IonicContact OE1-NZ 2.62Å; E715-K726 PolarHBondContact OE1-NZ 3.49Å; E715-K726 IonicContact OE2-NZ 2.74Å; E715-K726 PolarHBondContact OE2-NZ 3.49Å; E715-Q729 PolarHBondContact OE2-NE2 3.29Å; E715-Q729 VanDerWaalsContact OE2-NE2 3.14Å; E715-Q729 PolarHBondContact OE2-OE1 3.21Å
716	N	87.3	Confident	90.5	Very high	105 Å²	105	49.3 Å²	49.3	56%	0.561	26%	0.258	S	S	*	.			trans	-80.4	79.3	176.7	-169.2	18.6	0	0	0	111.2	Y663	Y663-N716 HydrophobicContact CD1-CB 3.58Å; Y663-N716 HydrophobicContact CD2-CB 4.17Å; Y663-N716 HydrophobicContact CE1-CB 3.69Å; Y663-N716 HydrophobicContact CE2-CB 4.28Å; Y663-N716 HydrophobicContact CG-CB 3.83Å
717	I	87.4	Confident	90.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	26%	0.256	C	S	.	.			trans	-78.4	127.6	178.3	-62.7	173.1	0	0	0	109.6	R453 E715 E721 K726 L730	R453-I717 WeakPolarHBondContact CD-O 3.14Å; E715-I717 VanDerWaalsContact C-N 3.34Å; E715-I717 HydrophobicContact CB-CG1 4.35Å; E715-I717 HydrophobicContact CG-CG1 4.33Å; E715-I717 PolarHBondContact O-N 3.44Å; I717-E721 HydrophobicContact CG2-CB 3.68Å; I717-E721 HydrophobicContact CG2-CG 3.83Å; I717-K726 HydrophobicContact CD1-CD 4.45Å; I717-L730 HydrophobicContact CD1-CD1 4.17Å; I717-L730 HydrophobicContact CD1-CD2 3.82Å; I717-L730 HydrophobicContact CD1-CG 3.68Å; I717-L730 HydrophobicContact CG2-CD1 4.06Å
718	P	87.1	Confident	90	Very high	58 Å²	58	52 Å²	52	38%	0.377	27%	0.274	S	S	.	.			trans	-72.4	168.7	-178	31.2	-36.1	0	0	0	112.7	D720 E721	P718-D720 VanDerWaalsContact C-N 3.3Å; P718-D720 PolarHBondContact O-N 3.49Å; P718-E721 HydrophobicContact CG-CB 4.18Å
719	L	84.1	Confident	89.8	Confident	57 Å²	57	54.3 Å²	54.3	30%	0.298	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.8	-174.7	-56.6	177.1	0	0	0	113.1	G450 G451 T452 Y614	G450-L719 VanDerWaalsContact C-CD2 3.49Å; G450-L719 WeakPolarHBondContact O-CD2 3.37Å; G451-L719 CarbonylContact C-O 3.52Å; G451-L719 WeakPolarHBondContact CA-O 3.28Å; T452-L719 PolarHBondContact N-O 3.01Å; T452-L719 PolarHBondContact OG1-O 3.39Å; Y614-L719 HydrophobicContact CE2-CB 4.44Å; Y614-L719 HydrophobicContact CE2-CD1 3.9Å
720	D	84.2	Confident	89.6	Confident	41 Å²	41	54.3 Å²	54.3	22%	0.219	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	9.6	-174.9	49.2	-55.7	0	0	0	113.7	F514 Y532 Y614 P718 S722	F514-D720 HydrophobicContact CD1-CB 3.82Å; F514-D720 HydrophobicContact CE1-CB 4.01Å; F514-D720 HydrophobicContact CG-CB 4.15Å; Y532-D720 HydrophobicContact CE2-CB 4.13Å; Y532-D720 PolarHBondContact OH-OD2 2.96Å; Y614-D720 HydrophobicContact CD1-CB 4.28Å; Y614-D720 HydrophobicContact CE1-CB 3.62Å; Y614-D720 VanDerWaalsContact CE1-CG 3.44Å; Y614-D720 VanDerWaalsContact CE1-OD1 3.22Å; Y614-D720 WeakPolarHBondContact CE1-OD1 3.5Å; Y614-D720 PolarHBondContact OH-OD1 3.04Å; P718-D720 VanDerWaalsContact C-N 3.3Å; P718-D720 PolarHBondContact O-N 3.49Å; D720-S722 PolarHBondContact O-N 3.32Å; D720-S722 VanDerWaalsContact O-N 3.1Å
721	E	88.6	Confident	89.5	Confident	17 Å²	17	55.9 Å²	55.9	8%	0.079	29%	0.292	C	S	.	.			trans	-64	112.5	179	-178.8	60.7	-96.6	0	0	111.2	T452 I717 P718 R723 K726	T452-E721 WeakPolarHBondContact CB-O 3.49Å; T452-E721 VanDerWaalsContact CG2-O 3.23Å; T452-E721 WeakPolarHBondContact CG2-O 3.4Å; T452-E721 PolarHBondContact OG1-O 2.84Å; I717-E721 HydrophobicContact CG2-CB 3.68Å; I717-E721 HydrophobicContact CG2-CG 3.83Å; P718-E721 HydrophobicContact CG-CB 4.18Å; E721-R723 VanDerWaalsContact OE1-CB 3.24Å; E721-R723 WeakPolarHBondContact OE1-CB 3.37Å; E721-R723 VanDerWaalsContact OE1-CG 3.3Å; E721-R723 WeakPolarHBondContact OE1-CG 3.49Å; E721-R723 IonicContact OE1-CZ 2.69Å; E721-R723 PolarHBondContact OE1-N 2.75Å; E721-R723 VanDerWaalsContact OE1-N 3.12Å; E721-R723 IonicContact OE1-NE 2.76Å; E721-R723 PolarHBondContact OE1-NE 2.72Å; E721-R723 IonicContact OE1-NH2 2.67Å; E721-R723 IonicContact OE2-CZ 2.81Å; E721-R723 IonicContact OE2-NE 3.24Å; E721-R723 PolarHBondContact OE2-NE 3.34Å; E721-R723 IonicContact OE2-NH2 3.8Å; E721-R723 PolarHBondContact OE2-NH2 3.25Å; E721-K726 HydrophobicContact CG-CB 3.53Å; E721-K726 HydrophobicContact CG-CG 4.08Å
722	S	86.1	Confident	89.5	Confident	39 Å²	39	59.9 Å²	59.9	27%	0.273	31%	0.312	S	S	.	.			trans	-110	-1.7	-176.6	58.9	0	0	0	0	113.9	D720	D720-S722 PolarHBondContact O-N 3.32Å; D720-S722 VanDerWaalsContact O-N 3.1Å
723	R	88.6	Confident	89.6	Confident	134 Å²	134	57.4 Å²	57.4	51%	0.506	30%	0.296	S	S	.	.			trans	-75.4	126.8	178.9	-66.5	178.4	-67.5	170.1	-1.6	111.5	E721 E725 K726 L727	E721-R723 VanDerWaalsContact OE1-CB 3.24Å; E721-R723 WeakPolarHBondContact OE1-CB 3.37Å; E721-R723 VanDerWaalsContact OE1-CG 3.3Å; E721-R723 WeakPolarHBondContact OE1-CG 3.49Å; E721-R723 IonicContact OE1-CZ 2.69Å; E721-R723 PolarHBondContact OE1-N 2.75Å; E721-R723 VanDerWaalsContact OE1-N 3.12Å; E721-R723 IonicContact OE1-NE 2.76Å; E721-R723 PolarHBondContact OE1-NE 2.72Å; E721-R723 IonicContact OE1-NH2 2.67Å; E721-R723 IonicContact OE2-CZ 2.81Å; E721-R723 IonicContact OE2-NE 3.24Å; E721-R723 PolarHBondContact OE2-NE 3.34Å; E721-R723 IonicContact OE2-NH2 3.8Å; E721-R723 PolarHBondContact OE2-NH2 3.25Å; R723-E725 VanDerWaalsContact C-N 3.26Å; R723-E725 WeakPolarHBondContact CB-OE2 3.43Å; R723-E725 PolarHBondContact O-N 2.93Å; R723-K726 PolarHBondContact O-N 3.44Å; R723-K726 VanDerWaalsContact O-N 3.12Å; R723-L727 PolarHBondContact O-N 2.87Å; R723-L727 VanDerWaalsContact O-N 3.15Å
724	N	89.2	Confident	89.8	Confident	82 Å²	82	56.8 Å²	56.8	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-57.6	-38.2	-177.4	-76.2	-39.4	0	0	0	112.5	K726 L727 D728	N724-K726 PolarHBondContact O-N 3.49Å; N724-L727 PolarHBondContact O-N 2.86Å; N724-L727 VanDerWaalsContact O-N 3.1Å; N724-D728 WeakPolarHBondContact O-CB 3.49Å; N724-D728 PolarHBondContact O-N 3.46Å
725	E	92.1	Very high	90.2	Very high	141 Å²	141	55 Å²	55	66%	0.659	28%	0.276	S	S	*	.	H	α-helix	trans	-60.2	-35.5	-179	-53.2	81.8	178.1	0	0	112.2	R723 Q729	R723-E725 VanDerWaalsContact C-N 3.26Å; R723-E725 WeakPolarHBondContact CB-OE2 3.43Å; R723-E725 PolarHBondContact O-N 2.93Å; E725-Q729 PolarHBondContact O-N 2.67Å; E725-Q729 VanDerWaalsContact O-N 3.11Å
726	K	91.7	Very high	90.6	Very high	37 Å²	37	55.6 Å²	55.6	16%	0.161	28%	0.277	C	S	.	.	H	α-helix	trans	-80.1	-33.7	176.6	-71.5	-56.1	-159.1	-177.8	0	112.8	E715 I717 E721 R723 N724 D728 Q729 L730	E715-K726 IonicContact OE1-NZ 2.62Å; E715-K726 PolarHBondContact OE1-NZ 3.49Å; E715-K726 IonicContact OE2-NZ 2.74Å; E715-K726 PolarHBondContact OE2-NZ 3.49Å; I717-K726 HydrophobicContact CD1-CD 4.45Å; E721-K726 HydrophobicContact CG-CB 3.53Å; E721-K726 HydrophobicContact CG-CG 4.08Å; R723-K726 PolarHBondContact O-N 3.44Å; R723-K726 VanDerWaalsContact O-N 3.12Å; N724-K726 PolarHBondContact O-N 3.49Å; K726-D728 VanDerWaalsContact C-N 3.33Å; K726-Q729 WeakPolarHBondContact O-CB 3.36Å; K726-Q729 PolarHBondContact O-N 2.87Å; K726-L730 WeakPolarHBondContact O-CG 3.31Å; K726-L730 PolarHBondContact O-N 2.92Å
727	L	91.3	Very high	91	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-36.1	173	-61.7	179.7	0	0	0	111.5	V455 R507 R723 N724 L730 Q731	V455-L727 HydrophobicContact CG2-CD2 4.45Å; R507-L727 HydrophobicContact CG-CD1 4.31Å; R723-L727 PolarHBondContact O-N 2.87Å; R723-L727 VanDerWaalsContact O-N 3.15Å; N724-L727 PolarHBondContact O-N 2.86Å; N724-L727 VanDerWaalsContact O-N 3.1Å; L727-L730 HydrophobicContact CD2-CD1 4.28Å; L727-L730 WeakPolarHBondContact O-CB 3.48Å; L727-L730 PolarHBondContact O-N 3.45Å; L727-Q731 WeakPolarHBondContact O-CB 3.29Å; L727-Q731 PolarHBondContact O-N 3.13Å
728	D	93.6	Very high	91.4	Very high	76 Å²	76	52.7 Å²	52.7	41%	0.406	26%	0.259	S	S	.	.	H	α-helix	trans	-70.9	-36.5	175.7	-62.6	-14.2	0	0	0	111.3	R507 N724 K726 Q731 L732	R507-D728 IonicContact CZ-OD1 2.63Å; R507-D728 IonicContact NH1-OD1 2.66Å; R507-D728 PolarHBondContact NH1-OD1 3.07Å; R507-D728 IonicContact NH2-OD1 2.78Å; R507-D728 PolarHBondContact NH2-OD1 2.9Å; N724-D728 WeakPolarHBondContact O-CB 3.49Å; N724-D728 PolarHBondContact O-N 3.46Å; K726-D728 VanDerWaalsContact C-N 3.33Å; D728-Q731 PolarHBondContact O-N 3.5Å; D728-L732 WeakPolarHBondContact O-CB 3.33Å; D728-L732 PolarHBondContact O-N 2.95Å
729	Q	93.7	Very high	91.8	Very high	53 Å²	53	56.5 Å²	56.5	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-49.1	168.4	-177.6	-173.7	-19.5	0	0	111.4	E715 E725 K726 Q731 L732 E733	E715-Q729 PolarHBondContact OE2-NE2 3.29Å; E715-Q729 VanDerWaalsContact OE2-NE2 3.14Å; E715-Q729 PolarHBondContact OE2-OE1 3.21Å; E725-Q729 PolarHBondContact O-N 2.67Å; E725-Q729 VanDerWaalsContact O-N 3.11Å; K726-Q729 WeakPolarHBondContact O-CB 3.36Å; K726-Q729 PolarHBondContact O-N 2.87Å; Q729-Q731 VanDerWaalsContact C-N 3.33Å; Q729-Q731 PolarHBondContact O-N 3.36Å; Q729-L732 PolarHBondContact O-N 2.97Å; Q729-E733 WeakPolarHBondContact CG-OE1 3.39Å; Q729-E733 PolarHBondContact NE2-OE1 2.82Å; Q729-E733 WeakPolarHBondContact O-CG 3.5Å; Q729-E733 PolarHBondContact O-N 2.99Å
730	L	93	Very high	92.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-40.4	176.4	-77.3	168.4	0	0	0	112.6	R453 V455 V456 M713 I717 K726 L727 G734	R453-L730 HydrophobicContact CB-CD1 4.26Å; R453-L730 HydrophobicContact CG-CD1 4.01Å; V455-L730 HydrophobicContact CG2-CB 3.81Å; V455-L730 HydrophobicContact CG2-CD1 4.2Å; V456-L730 HydrophobicContact CG2-CB 4.07Å; V456-L730 HydrophobicContact CG2-CD2 4.07Å; M713-L730 HydrophobicContact CE-CD2 3.83Å; M713-L730 HydrophobicContact CG-CD2 4.35Å; M713-L730 HydrophobicContact SD-CD2 3.85Å; I717-L730 HydrophobicContact CD1-CD1 4.17Å; I717-L730 HydrophobicContact CD1-CD2 3.82Å; I717-L730 HydrophobicContact CD1-CG 3.68Å; I717-L730 HydrophobicContact CG2-CD1 4.06Å; K726-L730 WeakPolarHBondContact O-CG 3.31Å; K726-L730 PolarHBondContact O-N 2.92Å; L727-L730 HydrophobicContact CD2-CD1 4.28Å; L727-L730 WeakPolarHBondContact O-CB 3.48Å; L727-L730 PolarHBondContact O-N 3.45Å; L730-G734 PolarHBondContact O-N 2.89Å
731	Q	93.4	Very high	92.9	Very high	43 Å²	43	64 Å²	64	20%	0.201	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-47.1	174.2	171.4	161.6	34.1	0	0	111.3	Q459 E503 L727 D728 Q729 G734 L735	Q459-Q731 HydrophobicContact CG-CG 4.1Å; Q459-Q731 VanDerWaalsContact OE1-NE2 3.13Å; E503-Q731 PolarHBondContact OE1-NE2 3.09Å; E503-Q731 PolarHBondContact OE1-OE1 3.23Å; L727-Q731 WeakPolarHBondContact O-CB 3.29Å; L727-Q731 PolarHBondContact O-N 3.13Å; D728-Q731 PolarHBondContact O-N 3.5Å; Q729-Q731 VanDerWaalsContact C-N 3.33Å; Q729-Q731 PolarHBondContact O-N 3.36Å; Q731-G734 PolarHBondContact O-N 2.98Å; Q731-L735 HydrophobicContact CG-CD1 4.2Å; Q731-L735 WeakPolarHBondContact O-CG 3.32Å; Q731-L735 PolarHBondContact O-N 3.29Å
732	L	94.2	Very high	93.3	Very high	88 Å²	88	66.3 Å²	66.3	46%	0.461	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-39.7	178.9	-176.3	64.3	0	0	0	112.6	D728 Q729 L735 K736	D728-L732 WeakPolarHBondContact O-CB 3.33Å; D728-L732 PolarHBondContact O-N 2.95Å; Q729-L732 PolarHBondContact O-N 2.97Å; L732-L735 PolarHBondContact O-N 3.04Å; L732-K736 HydrophobicContact CG-CD 4.33Å; L732-K736 WeakPolarHBondContact O-CG 3.24Å; L732-K736 PolarHBondContact O-N 2.96Å
733	E	93.7	Very high	93.8	Very high	27 Å²	27	71.4 Å²	71.4	13%	0.126	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-40.3	173.9	-72.4	-176.3	-145.3	0	0	111.3	M713 C714 Q729 K736 Y737	M713-E733 WeakPolarHBondContact CA-OE2 3.37Å; M713-E733 HydrophobicContact SD-CB 4.04Å; C714-E733 PolarHBondContact N-OE2 3.09Å; Q729-E733 WeakPolarHBondContact CG-OE1 3.39Å; Q729-E733 PolarHBondContact NE2-OE1 2.82Å; Q729-E733 WeakPolarHBondContact O-CG 3.5Å; Q729-E733 PolarHBondContact O-N 2.99Å; E733-K736 PolarHBondContact O-N 3.07Å; E733-Y737 WeakPolarHBondContact O-CB 3.5Å; E733-Y737 PolarHBondContact O-N 3.09Å
734	G	94.3	Very high	94.1	Very high	1 Å²	1	68 Å²	68	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-45.8	172.3	0	0	0	0	0	113.4	L730 Q731 Y737 I738	L730-G734 PolarHBondContact O-N 2.89Å; Q731-G734 PolarHBondContact O-N 2.98Å; G734-Y737 PolarHBondContact O-N 3.22Å; G734-I738 WeakPolarHBondContact O-CD1 3.25Å; G734-I738 VanDerWaalsContact O-CG1 3.26Å; G734-I738 WeakPolarHBondContact O-CG1 3.49Å; G734-I738 PolarHBondContact O-N 2.97Å
735	L	94.4	Very high	94.5	Very high	69 Å²	69	64 Å²	64	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-48.5	176.8	-70.7	169.9	0	0	0	111.8	Q459 Q731 L732 Y737 I738 E739	Q459-L735 HydrophobicContact CB-CD2 4.35Å; Q459-L735 HydrophobicContact CG-CG 4.44Å; Q731-L735 HydrophobicContact CG-CD1 4.2Å; Q731-L735 WeakPolarHBondContact O-CG 3.32Å; Q731-L735 PolarHBondContact O-N 3.29Å; L732-L735 PolarHBondContact O-N 3.04Å; L735-Y737 VanDerWaalsContact C-N 3.26Å; L735-Y737 PolarHBondContact O-N 3Å; L735-I738 WeakPolarHBondContact O-CB 3.17Å; L735-I738 PolarHBondContact O-N 3.11Å; L735-E739 WeakPolarHBondContact O-CG 3.5Å; L735-E739 PolarHBondContact O-N 3.16Å
736	K	95.3	Very high	94.7	Very high	91 Å²	91	61.5 Å²	61.5	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-58.6	-36.4	175.9	-72.9	167.4	179.9	170.1	0	112.6	L732 E733 R740	L732-K736 HydrophobicContact CG-CD 4.33Å; L732-K736 WeakPolarHBondContact O-CG 3.24Å; L732-K736 PolarHBondContact O-N 2.96Å; E733-K736 PolarHBondContact O-N 3.07Å; K736-R740 WeakPolarHBondContact O-CD 3.42Å; K736-R740 VanDerWaalsContact O-CG 3.26Å; K736-R740 WeakPolarHBondContact O-CG 3.44Å; K736-R740 PolarHBondContact O-N 3.27Å
737	Y	96	Very high	95	Very high	41 Å²	41	64.2 Å²	64.2	16%	0.161	29%	0.293	C	S	.	.	H	α-helix	trans	-66.8	-41.3	174.3	172.3	-97.1	0	0	0	112.3	F709 N710 P711 E733 G734 L735 R740 N741	F709-Y737 HydrophobicContact CB-CE1 4.2Å; F709-Y737 HydrophobicContact CD1-CE1 4.19Å; N710-Y737 PolarHBondContact N-OH 2.91Å; P711-Y737 HydrophobicContact CB-CD1 4.08Å; P711-Y737 HydrophobicContact CB-CD2 3.77Å; P711-Y737 HydrophobicContact CB-CE2 4.33Å; P711-Y737 HydrophobicContact CB-CG 3.61Å; P711-Y737 HydrophobicContact CG-CD1 4.21Å; P711-Y737 HydrophobicContact CG-CG 4.23Å; E733-Y737 WeakPolarHBondContact O-CB 3.5Å; E733-Y737 PolarHBondContact O-N 3.09Å; G734-Y737 PolarHBondContact O-N 3.22Å; L735-Y737 VanDerWaalsContact C-N 3.26Å; L735-Y737 PolarHBondContact O-N 3Å; Y737-R740 PolarHBondContact O-N 2.83Å; Y737-N741 WeakPolarHBondContact CD2-ND2 3.29Å; Y737-N741 WeakPolarHBondContact CE2-ND2 3.41Å; Y737-N741 WeakPolarHBondContact O-CB 3.27Å; Y737-N741 PolarHBondContact O-N 3.21Å; Y737-N741 PolarHBondContact O-ND2 3.44Å
738	I	95.7	Very high	95.2	Very high	8 Å²	8	64.1 Å²	64.1	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-42.2	178.2	-70.6	161.3	0	0	0	111.1	Q459 K463 G734 L735 N741 E742 M745	Q459-I738 HydrophobicContact CB-CD1 3.67Å; Q459-I738 WeakPolarHBondContact O-CD1 3.39Å; K463-I738 HydrophobicContact CB-CG2 3.88Å; K463-I738 HydrophobicContact CG-CG2 3.66Å; G734-I738 WeakPolarHBondContact O-CD1 3.25Å; G734-I738 VanDerWaalsContact O-CG1 3.26Å; G734-I738 WeakPolarHBondContact O-CG1 3.49Å; G734-I738 PolarHBondContact O-N 2.97Å; L735-I738 WeakPolarHBondContact O-CB 3.17Å; L735-I738 PolarHBondContact O-N 3.11Å; I738-N741 CarbonylContact O-C 3.56Å; I738-N741 VanDerWaalsContact O-C 3.29Å; I738-N741 PolarHBondContact O-N 2.94Å; I738-N741 VanDerWaalsContact O-N 3.12Å; I738-E742 PolarHBondContact O-N 3.36Å; I738-M745 HydrophobicContact CG2-CE 4.38Å; I738-M745 HydrophobicContact CG2-CG 4.24Å
739	E	95	Very high	95.4	Very high	139 Å²	139	60.8 Å²	60.8	65%	0.65	28%	0.276	S	S	*	.	H	α-helix	trans	-58.3	-47.7	174	-70.8	170.4	173.7	0	0	111.7	L735 N741 E742	L735-E739 WeakPolarHBondContact O-CG 3.5Å; L735-E739 PolarHBondContact O-N 3.16Å; E739-N741 PolarHBondContact O-N 2.98Å; E739-E742 WeakPolarHBondContact O-CB 3.47Å; E739-E742 PolarHBondContact O-N 2.89Å
740	R	96.1	Very high	95.6	Very high	207 Å²	207	65.8 Å²	65.8	78%	0.781	30%	0.297	S	S	*	.	H	α-helix	trans	-62.2	-27	175.5	-68.8	166.9	-176.9	173.2	-0.1	113.1	K736 Y737	K736-R740 WeakPolarHBondContact O-CD 3.42Å; K736-R740 VanDerWaalsContact O-CG 3.26Å; K736-R740 WeakPolarHBondContact O-CG 3.44Å; K736-R740 PolarHBondContact O-N 3.27Å; Y737-R740 PolarHBondContact O-N 2.83Å
741	N	95.9	Very high	95.7	Very high	47 Å²	47	66.8 Å²	66.8	25%	0.251	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	19.9	-177.3	-72.3	-88.9	0	0	0	113.2	Y737 I738 E739 Q743 K744 M745	Y737-N741 WeakPolarHBondContact CD2-ND2 3.29Å; Y737-N741 WeakPolarHBondContact CE2-ND2 3.41Å; Y737-N741 WeakPolarHBondContact O-CB 3.27Å; Y737-N741 PolarHBondContact O-N 3.21Å; Y737-N741 PolarHBondContact O-ND2 3.44Å; I738-N741 CarbonylContact O-C 3.56Å; I738-N741 VanDerWaalsContact O-C 3.29Å; I738-N741 PolarHBondContact O-N 2.94Å; I738-N741 VanDerWaalsContact O-N 3.12Å; E739-N741 PolarHBondContact O-N 2.98Å; N741-Q743 PolarHBondContact O-N 3.22Å; N741-Q743 VanDerWaalsContact O-N 3.1Å; N741-K744 HydrophobicContact CB-CB 4.49Å; N741-K744 WeakPolarHBondContact O-CA 3.42Å; N741-K744 WeakPolarHBondContact O-CB 3.39Å; N741-K744 PolarHBondContact O-N 3.36Å; N741-M745 PolarHBondContact O-N 3.48Å; N741-M745 VanDerWaalsContact O-N 3.14Å
742	E	95.4	Very high	95.9	Very high	67 Å²	67	64.8 Å²	64.8	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-57.1	-34.3	-170.8	-161.6	-149.1	-162.3	0	0	113.3	I738 E739 K744 M745 K746	I738-E742 PolarHBondContact O-N 3.36Å; E739-E742 WeakPolarHBondContact O-CB 3.47Å; E739-E742 PolarHBondContact O-N 2.89Å; E742-K744 PolarHBondContact O-N 3.41Å; E742-M745 WeakPolarHBondContact O-CB 3.48Å; E742-M745 PolarHBondContact O-N 2.93Å; E742-K746 HydrophobicContact CG-CD 4.34Å; E742-K746 WeakPolarHBondContact O-CB 3.26Å; E742-K746 WeakPolarHBondContact O-CG 3.29Å; E742-K746 PolarHBondContact O-N 2.91Å; E742-K746 WeakPolarHBondContact OE1-CE 3.42Å; E742-K746 IonicContact OE1-NZ 3.86Å; E742-K746 PolarHBondContact OE1-NZ 3.08Å; E742-K746 WeakPolarHBondContact OE2-CE 3.47Å; E742-K746 IonicContact OE2-NZ 3.55Å; E742-K746 PolarHBondContact OE2-NZ 3.36Å
743	Q	96.4	Very high	95.9	Very high	145 Å²	145	62.9 Å²	62.9	68%	0.678	29%	0.287	S	S	*	.	H	α-helix	trans	-64.4	-38.4	175.9	-62.4	-60.3	-25.2	0	0	112.5	N741 K747	N741-Q743 PolarHBondContact O-N 3.22Å; N741-Q743 VanDerWaalsContact O-N 3.1Å; Q743-K747 WeakPolarHBondContact O-CB 3.48Å; Q743-K747 PolarHBondContact O-N 3.28Å
744	K	96.4	Very high	95.8	Very high	62 Å²	62	64.3 Å²	64.3	27%	0.27	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-42.3	174.2	-165.1	177.5	-171.6	173.7	0	110.2	F707 R708 F709 N741 E742 K747 V748	F707-K744 HydrophobicContact CD1-CG 4.08Å; R708-K744 WeakPolarHBondContact O-CE 3.44Å; R708-K744 PolarHBondContact O-NZ 3.3Å; F709-K744 HydrophobicContact CD1-CD 4.39Å; F709-K744 HydrophobicContact CE1-CB 4.16Å; F709-K744 HydrophobicContact CE1-CD 3.73Å; F709-K744 HydrophobicContact CE1-CG 3.84Å; F709-K744 HydrophobicContact CZ-CB 4.47Å; F709-K744 HydrophobicContact CZ-CD 4.08Å; F709-K744 HydrophobicContact CZ-CG 3.87Å; N741-K744 HydrophobicContact CB-CB 4.49Å; N741-K744 WeakPolarHBondContact O-CA 3.42Å; N741-K744 WeakPolarHBondContact O-CB 3.39Å; N741-K744 PolarHBondContact O-N 3.36Å; E742-K744 PolarHBondContact O-N 3.41Å; K744-K747 WeakPolarHBondContact O-CB 3.45Å; K744-K747 PolarHBondContact O-N 3.29Å; K744-V748 WeakPolarHBondContact O-CG2 3.41Å; K744-V748 PolarHBondContact O-N 3.29Å
745	M	96.4	Very high	95.7	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-49.2	176.4	-65.1	-64.1	-70.4	0	0	112.5	T460 K463 L464 L467 F709 I738 N741 E742 K747 V748 A749	T460-M745 HydrophobicContact CG2-CE 3.96Å; T460-M745 HydrophobicContact CG2-SD 3.99Å; T460-M745 WeakPolarHBondContact O-CE 3.48Å; K463-M745 HydrophobicContact CB-CE 3.64Å; K463-M745 HydrophobicContact CG-CE 3.78Å; L464-M745 HydrophobicContact CD2-CE 3.88Å; L464-M745 HydrophobicContact CG-CE 3.79Å; L467-M745 HydrophobicContact CD1-CB 3.94Å; F709-M745 HydrophobicContact CD1-SD 3.9Å; F709-M745 HydrophobicContact CE1-CG 4.06Å; F709-M745 HydrophobicContact CE1-SD 3.26Å; F709-M745 WeakPolarHBondContact CE1-SD 3.36Å; F709-M745 HydrophobicContact CE2-SD 4.25Å; F709-M745 HydrophobicContact CZ-CG 4.49Å; F709-M745 HydrophobicContact CZ-SD 3.47Å; F709-M745 WeakPolarHBondContact CZ-SD 3.46Å; I738-M745 HydrophobicContact CG2-CE 4.38Å; I738-M745 HydrophobicContact CG2-CG 4.24Å; N741-M745 PolarHBondContact O-N 3.48Å; N741-M745 VanDerWaalsContact O-N 3.14Å; E742-M745 WeakPolarHBondContact O-CB 3.48Å; E742-M745 PolarHBondContact O-N 2.93Å; M745-K747 VanDerWaalsContact C-N 3.27Å; M745-K747 PolarHBondContact O-N 2.94Å; M745-V748 PolarHBondContact O-N 3.4Å; M745-A749 WeakPolarHBondContact O-CB 3.34Å; M745-A749 PolarHBondContact O-N 2.85Å
746	K	97	Very high	95.7	Very high	87 Å²	87	68 Å²	68	38%	0.378	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-37.9	175.5	-75.6	171.9	174.3	166.6	0	111.8	L467 E742 K750	L467-K746 HydrophobicContact CD1-CG 4.47Å; L467-K746 HydrophobicContact CD2-CG 4.5Å; E742-K746 HydrophobicContact CG-CD 4.34Å; E742-K746 WeakPolarHBondContact O-CB 3.26Å; E742-K746 WeakPolarHBondContact O-CG 3.29Å; E742-K746 PolarHBondContact O-N 2.91Å; E742-K746 WeakPolarHBondContact OE1-CE 3.42Å; E742-K746 IonicContact OE1-NZ 3.86Å; E742-K746 PolarHBondContact OE1-NZ 3.08Å; E742-K746 WeakPolarHBondContact OE2-CE 3.47Å; E742-K746 IonicContact OE2-NZ 3.55Å; E742-K746 PolarHBondContact OE2-NZ 3.36Å; K746-K750 WeakPolarHBondContact O-CB 3.36Å; K746-K750 PolarHBondContact O-N 3.42Å
747	K	97.1	Very high	95.6	Very high	94 Å²	94	66.5 Å²	66.5	41%	0.409	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-47	176.5	-159.5	172.3	-160.7	-175.9	0	112.3	D704 Q743 K744 M745 K750 I751	D704-K747 WeakPolarHBondContact OD1-CE 3.37Å; D704-K747 IonicContact OD1-NZ 2.69Å; D704-K747 PolarHBondContact OD1-NZ 3.41Å; D704-K747 WeakPolarHBondContact OD2-CE 3.39Å; D704-K747 IonicContact OD2-NZ 3.73Å; D704-K747 PolarHBondContact OD2-NZ 2.98Å; Q743-K747 WeakPolarHBondContact O-CB 3.48Å; Q743-K747 PolarHBondContact O-N 3.28Å; K744-K747 WeakPolarHBondContact O-CB 3.45Å; K744-K747 PolarHBondContact O-N 3.29Å; M745-K747 VanDerWaalsContact C-N 3.27Å; M745-K747 PolarHBondContact O-N 2.94Å; K747-K750 PolarHBondContact O-N 3.24Å; K747-I751 WeakPolarHBondContact O-CG1 3.36Å; K747-I751 PolarHBondContact O-N 3.27Å; K747-I751 VanDerWaalsContact O-N 3.14Å
748	V	97.2	Very high	95.6	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-48.7	175.2	174	0	0	0	0	111.4	L464 V656 F707 F709 K744 M745 K750 I751 L752	L464-V748 HydrophobicContact CD1-CG1 4.43Å; L464-V748 HydrophobicContact CD2-CB 4.15Å; L464-V748 HydrophobicContact CD2-CG1 3.69Å; V656-V748 HydrophobicContact CG2-CG1 3.64Å; F707-V748 HydrophobicContact CB-CG2 3.68Å; F707-V748 HydrophobicContact CD1-CG2 3.28Å; F707-V748 HydrophobicContact CD2-CG2 3.61Å; F707-V748 HydrophobicContact CE1-CG2 3.68Å; F707-V748 HydrophobicContact CE2-CG2 3.97Å; F707-V748 HydrophobicContact CG-CG2 3.23Å; F707-V748 HydrophobicContact CZ-CG2 4Å; F709-V748 HydrophobicContact CE2-CG2 4.11Å; F709-V748 HydrophobicContact CZ-CG2 3.95Å; K744-V748 WeakPolarHBondContact O-CG2 3.41Å; K744-V748 PolarHBondContact O-N 3.29Å; M745-V748 PolarHBondContact O-N 3.4Å; V748-K750 VanDerWaalsContact C-N 3.27Å; V748-K750 PolarHBondContact O-N 3.19Å; V748-I751 PolarHBondContact O-N 2.85Å; V748-L752 HydrophobicContact CG1-CD1 3.67Å; V748-L752 HydrophobicContact CG1-CG 4.09Å; V748-L752 WeakPolarHBondContact O-CG 3.35Å; V748-L752 PolarHBondContact O-N 2.92Å
749	A	97.4	Very high	95.5	Very high	6 Å²	6	75.6 Å²	75.6	5%	0.05	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-38.3	178.7	0	0	0	0	0	112.3	L467 T468 M745 I751 S753	L467-A749 HydrophobicContact CB-CB 3.61Å; L467-A749 HydrophobicContact CD1-CB 4.14Å; T468-A749 HydrophobicContact CG2-CB 3.79Å; M745-A749 WeakPolarHBondContact O-CB 3.34Å; M745-A749 PolarHBondContact O-N 2.85Å; A749-I751 VanDerWaalsContact C-N 3.34Å; A749-I751 PolarHBondContact O-N 3.3Å; A749-S753 VanDerWaalsContact O-CB 3.24Å; A749-S753 WeakPolarHBondContact O-CB 3.39Å; A749-S753 PolarHBondContact O-N 3.09Å; A749-S753 PolarHBondContact O-OG 2.9Å
750	K	96.6	Very high	95.5	Very high	158 Å²	158	71.6 Å²	71.6	69%	0.687	34%	0.343	S	S	*	.	H	α-helix	trans	-64.3	-34.7	173.8	-176.2	177.4	179.8	179.4	0	112.8	K746 K747 V748 Q754	K746-K750 WeakPolarHBondContact O-CB 3.36Å; K746-K750 PolarHBondContact O-N 3.42Å; K747-K750 PolarHBondContact O-N 3.24Å; V748-K750 VanDerWaalsContact C-N 3.27Å; V748-K750 PolarHBondContact O-N 3.19Å; K750-Q754 VanDerWaalsContact O-CG 3.22Å; K750-Q754 WeakPolarHBondContact O-CG 3.33Å
751	I	96.3	Very high	95.5	Very high	22 Å²	22	66.6 Å²	66.6	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-74.6	-50.4	176.1	-66.2	164.4	0	0	0	110.5	E653 C654 D704 F707 K747 V748 A749 S753 Q754	E653-I751 HydrophobicContact CG-CG2 3.72Å; C654-I751 HydrophobicContact CB-CG2 4.08Å; D704-I751 HydrophobicContact CB-CD1 4.39Å; F707-I751 HydrophobicContact CE2-CD1 3.84Å; F707-I751 HydrophobicContact CZ-CD1 3.61Å; K747-I751 WeakPolarHBondContact O-CG1 3.36Å; K747-I751 PolarHBondContact O-N 3.27Å; K747-I751 VanDerWaalsContact O-N 3.14Å; V748-I751 PolarHBondContact O-N 2.85Å; A749-I751 VanDerWaalsContact C-N 3.34Å; A749-I751 PolarHBondContact O-N 3.3Å; I751-S753 PolarHBondContact O-N 2.77Å; I751-Q754 WeakPolarHBondContact O-CB 3.27Å; I751-Q754 WeakPolarHBondContact O-CG 3.48Å; I751-Q754 PolarHBondContact O-N 2.87Å
752	L	96.1	Very high	95.5	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-30.2	-179.8	-68.1	174.5	0	0	0	113.3	R443 L464 T468 L475 F476 C654 V748 Q754	R443-L752 HydrophobicContact CB-CD2 4.2Å; R443-L752 HydrophobicContact CG-CD2 4.35Å; R443-L752 PolarHBondContact NH1-O 3.22Å; L464-L752 HydrophobicContact CD1-CD1 4.41Å; L464-L752 HydrophobicContact CD2-CD1 4.39Å; T468-L752 HydrophobicContact CG2-CB 4.47Å; L475-L752 HydrophobicContact CB-CD1 4.48Å; L475-L752 HydrophobicContact CD1-CD1 4.48Å; L475-L752 HydrophobicContact CD2-CB 4.21Å; F476-L752 HydrophobicContact CD1-CD2 4.14Å; F476-L752 HydrophobicContact CE1-CD1 4.17Å; F476-L752 HydrophobicContact CE1-CD2 3.69Å; F476-L752 HydrophobicContact CZ-CD1 3.87Å; F476-L752 HydrophobicContact CZ-CD2 4.21Å; C654-L752 WeakPolarHBondContact SG-CD2 3.37Å; V748-L752 HydrophobicContact CG1-CD1 3.67Å; V748-L752 HydrophobicContact CG1-CG 4.09Å; V748-L752 WeakPolarHBondContact O-CG 3.35Å; V748-L752 PolarHBondContact O-N 2.92Å; L752-Q754 VanDerWaalsContact C-N 3.33Å
753	S	94.2	Very high	95.4	Very high	49 Å²	49	70.3 Å²	70.3	34%	0.343	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-5	176.3	-64.2	0	0	0	0	114.8	A749 I751 E755	A749-S753 VanDerWaalsContact O-CB 3.24Å; A749-S753 WeakPolarHBondContact O-CB 3.39Å; A749-S753 PolarHBondContact O-N 3.09Å; A749-S753 PolarHBondContact O-OG 2.9Å; I751-S753 PolarHBondContact O-N 2.77Å; S753-E755 PolarHBondContact O-N 2.9Å
754	Q	92.7	Very high	95.3	Very high	57 Å²	57	65.1 Å²	65.1	27%	0.266	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-71.6	124	-179.8	-61.6	-171.9	29.9	0	0	111.7	R440 K750 I751 L752	R440-Q754 HydrophobicContact CG-CB 4.42Å; R440-Q754 VanDerWaalsContact CZ-OE1 3.31Å; K750-Q754 VanDerWaalsContact O-CG 3.22Å; K750-Q754 WeakPolarHBondContact O-CG 3.33Å; I751-Q754 WeakPolarHBondContact O-CB 3.27Å; I751-Q754 WeakPolarHBondContact O-CG 3.48Å; I751-Q754 PolarHBondContact O-N 2.87Å; L752-Q754 VanDerWaalsContact C-N 3.33Å
755	E	91.9	Very high	95.2	Very high	117 Å²	117	69.5 Å²	69.5	55%	0.547	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-83	153.7	169.3	-71.8	-158.3	-165.3	0	0	112.8	R440 S753 K761	R440-E755 WeakPolarHBondContact CG-O 3.18Å; R440-E755 PolarHBondContact NE-O 3.26Å; R440-E755 PolarHBondContact NH2-O 3.02Å; S753-E755 PolarHBondContact O-N 2.9Å; E755-K761 IonicContact OE2-NZ 2.64Å; E755-K761 PolarHBondContact OE2-NZ 3.38Å
756	K	94.1	Very high	95	Very high	30 Å²	30	73.4 Å²	73.4	13%	0.13	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-51	138.6	165.4	-73.5	-176	178.3	-179.4	0	112.3	V437 G439 Q760 K761 D764	V437-K756 WeakPolarHBondContact O-CE 3.31Å; V437-K756 PolarHBondContact O-NZ 3.33Å; G439-K756 WeakPolarHBondContact O-CE 3.45Å; G439-K756 WeakPolarHBondContact O-CG 3.33Å; K756-Q760 HydrophobicContact CB-CB 4.15Å; K756-Q760 HydrophobicContact CD-CB 4.42Å; K756-Q760 HydrophobicContact CG-CB 4.36Å; K756-K761 HydrophobicContact CB-CD 4.4Å; K756-K761 HydrophobicContact CB-CG 3.77Å; K756-K761 HydrophobicContact CD-CG 4.37Å; K756-K761 WeakPolarHBondContact O-CE 3.31Å; K756-D764 WeakPolarHBondContact CD-OD2 3.49Å; K756-D764 WeakPolarHBondContact CE-OD2 3.46Å; K756-D764 IonicContact NZ-OD2 2.81Å; K756-D764 PolarHBondContact NZ-OD2 3.42Å
757	T	94.5	Very high	94.8	Very high	59 Å²	59	74.2 Å²	74.2	36%	0.362	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-62.7	156.6	166.9	61.6	0	0	0	0	111	L759 Q760 K761	T757-L759 PolarHBondContact O-N 3.27Å; T757-Q760 PolarHBondContact O-N 3.44Å; T757-Q760 VanDerWaalsContact O-N 3.17Å; T757-Q760 WeakPolarHBondContact OG1-CB 3.35Å; T757-Q760 VanDerWaalsContact OG1-CG 3.3Å; T757-Q760 WeakPolarHBondContact OG1-CG 3.47Å; T757-Q760 PolarHBondContact OG1-N 3.02Å; T757-Q760 PolarHBondContact OG1-OE1 3.08Å; T757-K761 WeakPolarHBondContact O-CG 3.39Å; T757-K761 PolarHBondContact O-N 3.44Å
758	T	94.8	Very high	94.6	Very high	113 Å²	113	71.6 Å²	71.6	69%	0.693	35%	0.354	S	S	*	.	H	α-helix	trans	-57	-38.6	174.7	47.9	0	0	0	0	112	K761 I762	T758-K761 PolarHBondContact O-N 3.11Å; T758-I762 VanDerWaalsContact O-CG1 3.28Å; T758-I762 WeakPolarHBondContact O-CG1 3.5Å; T758-I762 PolarHBondContact O-N 3.05Å
759	L	94.9	Very high	94.4	Very high	128 Å²	128	74.4 Å²	74.4	67%	0.67	37%	0.366	S	S	*	.	H	α-helix	trans	-62.8	-44.2	176.3	-162.2	162.2	0	0	0	111.6	T757 I762 N763	T757-L759 PolarHBondContact O-N 3.27Å; L759-I762 PolarHBondContact O-N 3.46Å; L759-N763 WeakPolarHBondContact O-CB 3.41Å; L759-N763 PolarHBondContact O-N 2.88Å
760	Q	94.5	Very high	94.1	Very high	55 Å²	55	76.3 Å²	76.3	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-48	172.9	-75.1	165.5	-51.9	0	0	111.7	R440 K756 T757 I762 N763 D764	R440-Q760 PolarHBondContact O-NE2 3.19Å; K756-Q760 HydrophobicContact CB-CB 4.15Å; K756-Q760 HydrophobicContact CD-CB 4.42Å; K756-Q760 HydrophobicContact CG-CB 4.36Å; T757-Q760 PolarHBondContact O-N 3.44Å; T757-Q760 VanDerWaalsContact O-N 3.17Å; T757-Q760 WeakPolarHBondContact OG1-CB 3.35Å; T757-Q760 VanDerWaalsContact OG1-CG 3.3Å; T757-Q760 WeakPolarHBondContact OG1-CG 3.47Å; T757-Q760 PolarHBondContact OG1-N 3.02Å; T757-Q760 PolarHBondContact OG1-OE1 3.08Å; Q760-I762 VanDerWaalsContact C-N 3.27Å; Q760-I762 PolarHBondContact O-N 3.15Å; Q760-N763 PolarHBondContact O-N 3.26Å; Q760-N763 VanDerWaalsContact O-N 3.13Å; Q760-D764 WeakPolarHBondContact O-CB 3.48Å; Q760-D764 VanDerWaalsContact O-CG 3.25Å; Q760-D764 PolarHBondContact O-N 3.28Å
761	K	95.3	Very high	93.9	Very high	101 Å²	101	69.1 Å²	69.1	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-57.6	-38.7	177.7	-66.5	179	-178.3	178.6	0	111.7	E755 K756 T757 T758 W765	E755-K761 IonicContact OE2-NZ 2.64Å; E755-K761 PolarHBondContact OE2-NZ 3.38Å; K756-K761 HydrophobicContact CB-CD 4.4Å; K756-K761 HydrophobicContact CB-CG 3.77Å; K756-K761 HydrophobicContact CD-CG 4.37Å; K756-K761 WeakPolarHBondContact O-CE 3.31Å; T757-K761 WeakPolarHBondContact O-CG 3.39Å; T757-K761 PolarHBondContact O-N 3.44Å; T758-K761 PolarHBondContact O-N 3.11Å; K761-W765 PolarHBondContact O-N 3.17Å
762	I	95.7	Very high	93.6	Very high	101 Å²	101	68.3 Å²	68.3	52%	0.518	34%	0.342	S	S	.	.	H	α-helix	trans	-69.3	-45.5	174.7	-69	163.9	0	0	0	111.5	T758 L759 Q760 D764 W765 I766	T758-I762 VanDerWaalsContact O-CG1 3.28Å; T758-I762 WeakPolarHBondContact O-CG1 3.5Å; T758-I762 PolarHBondContact O-N 3.05Å; L759-I762 PolarHBondContact O-N 3.46Å; Q760-I762 VanDerWaalsContact C-N 3.27Å; Q760-I762 PolarHBondContact O-N 3.15Å; I762-D764 VanDerWaalsContact C-N 3.33Å; I762-D764 PolarHBondContact O-N 2.64Å; I762-W765 WeakPolarHBondContact O-CB 3.47Å; I762-W765 PolarHBondContact O-N 2.86Å; I762-I766 HydrophobicContact CG2-CD1 3.83Å; I762-I766 HydrophobicContact CG2-CG1 4.35Å; I762-I766 WeakPolarHBondContact O-CG1 3.35Å; I762-I766 PolarHBondContact O-N 2.95Å
763	N	94	Very high	93.3	Very high	91 Å²	91	76 Å²	76	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-40.5	179.1	-176.4	68.9	0	0	0	112.1	L759 Q760 I766 K767	L759-N763 WeakPolarHBondContact O-CB 3.41Å; L759-N763 PolarHBondContact O-N 2.88Å; Q760-N763 PolarHBondContact O-N 3.26Å; Q760-N763 VanDerWaalsContact O-N 3.13Å; N763-I766 PolarHBondContact O-N 2.85Å; N763-K767 WeakPolarHBondContact O-CB 3.39Å; N763-K767 PolarHBondContact O-N 2.92Å
764	D	93.8	Very high	92.7	Very high	36 Å²	36	80.8 Å²	80.8	19%	0.193	39%	0.389	C	S	.	.	H	α-helix	trans	-63.1	-40.6	174.1	-68.6	-33.8	0	0	0	112.1	P436 K756 Q760 I762 K767 L768	P436-D764 HydrophobicContact CB-CB 4.36Å; P436-D764 WeakPolarHBondContact CB-OD1 3.48Å; P436-D764 HydrophobicContact CG-CB 4.03Å; K756-D764 WeakPolarHBondContact CD-OD2 3.49Å; K756-D764 WeakPolarHBondContact CE-OD2 3.46Å; K756-D764 IonicContact NZ-OD2 2.81Å; K756-D764 PolarHBondContact NZ-OD2 3.42Å; Q760-D764 WeakPolarHBondContact O-CB 3.48Å; Q760-D764 VanDerWaalsContact O-CG 3.25Å; Q760-D764 PolarHBondContact O-N 3.28Å; I762-D764 VanDerWaalsContact C-N 3.33Å; I762-D764 PolarHBondContact O-N 2.64Å; D764-K767 PolarHBondContact O-N 3.36Å; D764-L768 WeakPolarHBondContact O-CB 3.43Å; D764-L768 PolarHBondContact O-N 3.33Å
765	W	94.1	Very high	92	Very high	154 Å²	154	78.5 Å²	78.5	58%	0.583	38%	0.381	S	S	*	.	H	α-helix	trans	-65.4	-44.3	175	-179	95	0	0	0	111.8	K761 I762 L768 K769	K761-W765 PolarHBondContact O-N 3.17Å; I762-W765 WeakPolarHBondContact O-CB 3.47Å; I762-W765 PolarHBondContact O-N 2.86Å; W765-L768 PolarHBondContact O-N 3.39Å; W765-K769 HydrophobicContact CD2-CG 4.06Å; W765-K769 HydrophobicContact CE3-CG 4.2Å; W765-K769 HydrophobicContact CH2-CG 4.08Å; W765-K769 HydrophobicContact CZ2-CD 4.37Å; W765-K769 HydrophobicContact CZ2-CG 3.94Å; W765-K769 HydrophobicContact CZ3-CG 4.21Å; W765-K769 WeakPolarHBondContact O-CG 3.48Å; W765-K769 PolarHBondContact O-N 3.15Å
766	I	93.8	Very high	91.2	Very high	83 Å²	83	75.2 Å²	75.2	43%	0.426	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-50.9	175.2	-68.5	169.8	0	0	0	109.5	I762 N763 L768 K769 T770	I762-I766 HydrophobicContact CG2-CD1 3.83Å; I762-I766 HydrophobicContact CG2-CG1 4.35Å; I762-I766 WeakPolarHBondContact O-CG1 3.35Å; I762-I766 PolarHBondContact O-N 2.95Å; N763-I766 PolarHBondContact O-N 2.85Å; I766-L768 PolarHBondContact O-N 3.2Å; I766-K769 PolarHBondContact O-N 2.93Å; I766-K769 VanDerWaalsContact O-N 3.07Å; I766-T770 PolarHBondContact O-N 3.06Å; I766-T770 PolarHBondContact O-OG1 3.13Å
767	K	91.8	Very high	89.7	Confident	103 Å²	103	77.8 Å²	77.8	45%	0.448	39%	0.386	S	S	.	.	H	α-helix	trans	-56.1	-47.8	178	-174.8	177.4	179	178.7	0	111.7	N763 D764 K769 T770 D771	N763-K767 WeakPolarHBondContact O-CB 3.39Å; N763-K767 PolarHBondContact O-N 2.92Å; D764-K767 PolarHBondContact O-N 3.36Å; K767-K769 VanDerWaalsContact C-N 3.3Å; K767-K769 PolarHBondContact O-N 2.72Å; K767-T770 PolarHBondContact O-N 3Å; K767-D771 WeakPolarHBondContact O-CB 3.35Å; K767-D771 VanDerWaalsContact O-CG 3.3Å; K767-D771 PolarHBondContact O-N 3.33Å
768	L	92.8	Very high	87.7	Confident	40 Å²	40	80.4 Å²	80.4	21%	0.209	39%	0.393	C	S	.	.	H	α-helix	trans	-59.7	-38.6	176.6	177.9	64.4	0	0	0	112.3	L410 D764 W765 I766 M772	L410-L768 HydrophobicContact CD2-CD1 4.17Å; D764-L768 WeakPolarHBondContact O-CB 3.43Å; D764-L768 PolarHBondContact O-N 3.33Å; W765-L768 PolarHBondContact O-N 3.39Å; I766-L768 PolarHBondContact O-N 3.2Å; L768-M772 WeakPolarHBondContact O-CB 3.44Å; L768-M772 PolarHBondContact O-N 3.47Å; L768-M772 VanDerWaalsContact O-N 3.07Å
769	K	92.9	Very high	85.6	Confident	59 Å²	59	82.3 Å²	82.3	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-70	-40.9	176	-66.6	-58.4	-178	-174.8	0	112	W765 I766 K767 M772 Y773	W765-K769 HydrophobicContact CD2-CG 4.06Å; W765-K769 HydrophobicContact CE3-CG 4.2Å; W765-K769 HydrophobicContact CH2-CG 4.08Å; W765-K769 HydrophobicContact CZ2-CD 4.37Å; W765-K769 HydrophobicContact CZ2-CG 3.94Å; W765-K769 HydrophobicContact CZ3-CG 4.21Å; W765-K769 WeakPolarHBondContact O-CG 3.48Å; W765-K769 PolarHBondContact O-N 3.15Å; I766-K769 PolarHBondContact O-N 2.93Å; I766-K769 VanDerWaalsContact O-N 3.07Å; K767-K769 VanDerWaalsContact C-N 3.3Å; K767-K769 PolarHBondContact O-N 2.72Å; K769-M772 HydrophobicContact CD-CE 3.92Å; K769-M772 PolarHBondContact O-N 3.04Å; K769-Y773 HydrophobicContact CD-CE2 4.26Å; K769-Y773 VanDerWaalsContact O-CD2 3.31Å; K769-Y773 WeakPolarHBondContact O-CD2 3.21Å; K769-Y773 PolarHBondContact O-N 3.32Å; K769-Y773 VanDerWaalsContact O-N 3.1Å
770	T	92.1	Very high	82.8	Confident	45 Å²	45	82.3 Å²	82.3	28%	0.276	40%	0.402	S	S	.	.	H	α-helix	trans	-58.4	-52.1	172.2	-61.9	0	0	0	0	110.8	I766 K767 M772 Y773 E774 G775	I766-T770 PolarHBondContact O-N 3.06Å; I766-T770 PolarHBondContact O-OG1 3.13Å; K767-T770 PolarHBondContact O-N 3Å; T770-M772 PolarHBondContact O-N 3.41Å; T770-Y773 PolarHBondContact O-N 3.05Å; T770-E774 HydrophobicContact CG2-CB 4.19Å; T770-E774 WeakPolarHBondContact O-CA 3.1Å; T770-E774 WeakPolarHBondContact O-CB 3.32Å; T770-E774 PolarHBondContact O-N 3.09Å; T770-G775 PolarHBondContact O-N 3.3Å
771	D	91.1	Very high	80.1	Confident	8 Å²	8	88.8 Å²	88.8	4%	0.043	43%	0.43	C	S	.	.	H	α-helix	trans	-62	-26.8	179.9	-68.1	-17.8	0	0	0	112.7	P407 L410 Y433 K767 G775 L776	P407-D771 WeakPolarHBondContact CG-O 3.49Å; L410-D771 HydrophobicContact CD1-CB 3.88Å; Y433-D771 HydrophobicContact CE2-CB 4.38Å; K767-D771 WeakPolarHBondContact O-CB 3.35Å; K767-D771 VanDerWaalsContact O-CG 3.3Å; K767-D771 PolarHBondContact O-N 3.33Å; D771-G775 WeakPolarHBondContact O-CA 3.43Å; D771-L776 WeakPolarHBondContact OD1-CD2 3.37Å
772	M	90.8	Very high	77.4	Confident	5 Å²	5	88.1 Å²	88.1	3%	0.025	43%	0.43	C	S	.	.	H	α-helix	trans	-84.8	-26.5	179.8	-168.9	176	77.1	0	0	114.6	L410 R411 Q414 L768 K769 T770	L410-M772 HydrophobicContact CB-CB 4.18Å; L410-M772 HydrophobicContact CB-CG 3.94Å; L410-M772 HydrophobicContact CD1-CB 4.46Å; R411-M772 HydrophobicContact CG-CG 3.44Å; R411-M772 VanDerWaalsContact CG-CG 3.44Å; R411-M772 HydrophobicContact CG-SD 3.85Å; Q414-M772 HydrophobicContact CG-SD 3.98Å; L768-M772 WeakPolarHBondContact O-CB 3.44Å; L768-M772 PolarHBondContact O-N 3.47Å; L768-M772 VanDerWaalsContact O-N 3.07Å; K769-M772 HydrophobicContact CD-CE 3.92Å; K769-M772 PolarHBondContact O-N 3.04Å; T770-M772 PolarHBondContact O-N 3.41Å
773	Y	88.6	Confident	76.5	Confident	163 Å²	163	87.5 Å²	87.5	64%	0.639	43%	0.426	S	S	*	.	H	α-helix	trans	-116	-49.2	-176.5	-68.8	-66.5	0	0	0	114.2	K769 T770	K769-Y773 HydrophobicContact CD-CE2 4.26Å; K769-Y773 VanDerWaalsContact O-CD2 3.31Å; K769-Y773 WeakPolarHBondContact O-CD2 3.21Å; K769-Y773 PolarHBondContact O-N 3.32Å; K769-Y773 VanDerWaalsContact O-N 3.1Å; T770-Y773 PolarHBondContact O-N 3.05Å
774	E	82.1	Confident	75.6	Confident	148 Å²	148	87.3 Å²	87.3	69%	0.692	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-34	177.6	-59.8	-178.9	-166.8	0	0	110.4	T770	T770-E774 HydrophobicContact CG2-CB 4.19Å; T770-E774 WeakPolarHBondContact O-CA 3.1Å; T770-E774 WeakPolarHBondContact O-CB 3.32Å; T770-E774 PolarHBondContact O-N 3.09Å
775	G	77.8	Confident	74.6	Confident	10 Å²	10	90.1 Å²	90.1	10%	0.103	44%	0.436	C	S	.	.			trans	85	170.5	-175	0	0	0	0	0	112.8	T770 D771	T770-G775 PolarHBondContact O-N 3.3Å; D771-G775 WeakPolarHBondContact O-CA 3.43Å
776	L	75.9	Confident	73.4	Confident	48 Å²	48	86.4 Å²	86.4	25%	0.251	43%	0.427	S	S	.	.	S	Bend	trans	-59.4	135.8	179.2	-68.7	167.3	0	0	0	110.1	I406 Y433 F586 D771 F778	I406-L776 HydrophobicContact CD1-CD1 3.71Å; I406-L776 HydrophobicContact CG2-CD1 4.49Å; Y433-L776 HydrophobicContact CD2-CD1 4.46Å; F586-L776 HydrophobicContact CD2-CD1 4.44Å; F586-L776 HydrophobicContact CE2-CD1 3.37Å; F586-L776 HydrophobicContact CZ-CD1 3.53Å; D771-L776 WeakPolarHBondContact OD1-CD2 3.37Å; L776-F778 PolarHBondContact O-N 3.43Å; L776-F778 VanDerWaalsContact O-N 3.11Å
777	P	61.5	Low	72.1	Confident	83 Å²	83	86.6 Å²	86.6	54%	0.539	43%	0.427	S	S	.	.			trans	-58.3	121.5	173.4	24.8	-32.9	0	0	0	108.3	F779	P777-F779 VanDerWaalsContact C-N 3.34Å; P777-F779 HydrophobicContact CG-CE2 4.11Å; P777-F779 HydrophobicContact CG-CZ 4.34Å; P777-F779 WeakPolarHBondContact O-CD2 3.37Å; P777-F779 PolarHBondContact O-N 2.95Å
778	F	54.2	Low	70.8	Confident	115 Å²	115	85.5 Å²	85.5	50%	0.504	43%	0.425	S	S	.	.			trans	-64.4	93.9	179.9	-95.8	-100.4	0	0	0	109.8	K402 R404 L776 S780	K402-F778 HydrophobicContact CG-CE1 4.15Å; R404-F778 HydrophobicContact CG-CE2 4.38Å; L776-F778 PolarHBondContact O-N 3.43Å; L776-F778 VanDerWaalsContact O-N 3.11Å; F778-S780 PolarHBondContact O-N 2.9Å
779	F	50.7	Low	69.2	Low	153 Å²	153	88.7 Å²	88.7	67%	0.671	44%	0.441	S	S	*	.			trans	-61	122.1	167.6	-69.1	-77.4	0	0	0	108.2	P777 K781	P777-F779 VanDerWaalsContact C-N 3.34Å; P777-F779 HydrophobicContact CG-CE2 4.11Å; P777-F779 HydrophobicContact CG-CZ 4.34Å; P777-F779 WeakPolarHBondContact O-CD2 3.37Å; P777-F779 PolarHBondContact O-N 2.95Å; F779-K781 PolarHBondContact O-N 3.42Å
780	S	36.1	Very low	67.4	Low	127 Å²	127	91 Å²	91	89%	0.888	46%	0.455	S	S	*	.	S	Bend	trans	-73.3	31.8	-169.1	52.2	0	0	0	0	114.9	F778	F778-S780 PolarHBondContact O-N 2.9Å
781	K	37	Very low	65.4	Low	192 Å²	192	94.8 Å²	94.8	84%	0.835	47%	0.47	S	S	*	.			trans	-130.3	30.4	-175.2	-66.7	-171.9	175.2	-177.8	0	113	F779	F779-K781 PolarHBondContact O-N 3.42Å
782	L	38.7	Very low	63	Low	86 Å²	86	102.7 Å²	102.7	45%	0.45	51%	0.509	S	S	.	.			trans	-110.6	0	-175.2	-113.3	176.6	0	0	0	113.7	V401 K402 F586 P587	V401-L782 HydrophobicContact CG1-CD1 4.3Å; K402-L782 VanDerWaalsContact CE-O 3.32Å; K402-L782 WeakPolarHBondContact CE-O 3.34Å; K402-L782 PolarHBondContact NZ-O 3.16Å; K402-L782 PolarHBondContact NZ-OXT 3.5Å; F586-L782 HydrophobicContact CE1-CD1 4.45Å; P587-L782 HydrophobicContact CB-CD2 3.62Å

Retrieved 782 of 782 residues in 311.3 ms (Link to these results)

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