A0A087Y758_POEFO Loading...

[histone H3]-lysine(27) N-trimethyltransferase

AlphaFold DB , UniProt , Accession A0A087Y758, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 770 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	31.5	Very low	236 Å²	236	144.7 Å²	144.7	100%	1.163	90%	0.898	S	S	*	*				0	142.7	0	-73.9	176.3	-178.2	0	0	107.5
2	M	31.8	Very low	31.6	Very low	189 Å²	189	143.3 Å²	143.3	93%	0.931	90%	0.897	S	S	*	*			trans	62.9	119.7	165.1	-67.9	170	177.9	0	0	118
3	E	35	Very low	31.5	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	88%	0.876	S	S	*	*			trans	-68.5	162.6	161.9	-57.5	144.7	109.2	0	0	110.4
4	E	32.3	Very low	31.4	Very low	198 Å²	198	137.4 Å²	137.4	93%	0.925	88%	0.877	S	S	*	*				-154.1	150.2	118.5	-125.2	178.2	-178.7	0	0	111.5
5	T	36	Very low	31.2	Very low	134 Å²	134	136 Å²	136	82%	0.822	87%	0.872	S	S	*	*			trans	-120.2	143.3	-173.7	46	0	0	0	0	110.9
6	A	29.5	Very low	31.3	Very low	109 Å²	109	133.8 Å²	133.8	90%	0.901	87%	0.87	S	S	*	*			trans	-153.1	131.2	162.1	0	0	0	0	0	110.2
7	A	29.5	Very low	31.6	Very low	109 Å²	109	133.9 Å²	133.9	90%	0.901	87%	0.867	S	S	*	*			trans	-119.3	151.1	-178	0	0	0	0	0	111.6
8	A	27.9	Very low	31.6	Very low	107 Å²	107	133 Å²	133	88%	0.884	86%	0.861	S	S	*	*			trans	-149.7	151.8	163.2	0	0	0	0	0	110.7
9	A	30.2	Very low	31.7	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-79.9	160.7	-159.1	0	0	0	0	0	116
10	P	31.5	Very low	31.9	Very low	130 Å²	130	131.8 Å²	131.8	84%	0.844	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-83.6	146.4	176.4	34.2	-34.7	0	0	0	112.9
11	A	29.9	Very low	31.9	Very low	106 Å²	106	131.3 Å²	131.3	88%	0.876	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-99.4	142.8	170.2	0	0	0	0	0	111.4
12	S	31.8	Very low	31.9	Very low	127 Å²	127	131 Å²	131	89%	0.888	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-93.2	158.9	-172.6	50.5	0	0	0	0	113.8
13	G	30.3	Very low	31.7	Very low	61 Å²	61	127.6 Å²	127.6	63%	0.629	83%	0.829	S	S	*	*			trans	139.4	94.3	148.5	0	0	0	0	0	118.1
14	T	30.7	Very low	31.5	Very low	144 Å²	144	127.3 Å²	127.3	88%	0.883	83%	0.827	S	S	*	*			trans	51.1	138.2	138.5	55.5	0	0	0	0	120.7
15	S	28.3	Very low	31.5	Very low	116 Å²	116	123.9 Å²	123.9	81%	0.811	82%	0.823	S	S	*	*			cis	-155.8	129.6	19.4	51	0	0	0	0	111.2
16	A	32.2	Very low	31	Very low	101 Å²	101	120.2 Å²	120.2	84%	0.835	81%	0.812	S	S	*	*			trans	-108.1	137.8	167.7	0	0	0	0	0	110.1
17	V	36.8	Very low	31.2	Very low	136 Å²	136	120.3 Å²	120.3	82%	0.824	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.8	135.2	176.4	178	0	0	0	0	109	S19	V17-S19 PolarHBondContact O-N 2.79Å
18	P	32.3	Very low	31.4	Very low	117 Å²	117	124.2 Å²	124.2	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-66.2	118.3	178	26.6	-33.5	0	0	0	110.3	T20	P18-T20 PolarHBondContact O-N 2.94Å
19	S	33.3	Very low	31.6	Very low	113 Å²	113	125 Å²	125	79%	0.79	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63.1	124	167.2	42.2	0	0	0	0	109.5	V17	V17-S19 PolarHBondContact O-N 2.79Å
20	T	35.6	Very low	32	Very low	129 Å²	129	122.4 Å²	122.4	79%	0.791	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-57.8	130.6	170.2	45.6	0	0	0	0	109.6	P18 R22	P18-T20 PolarHBondContact O-N 2.94Å; T20-R22 PolarHBondContact O-N 2.8Å
21	P	32	Very low	32.8	Very low	121 Å²	121	119.3 Å²	119.3	79%	0.786	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-60.2	127.5	174.9	-19.9	31.1	0	0	0	110
22	R	33	Very low	33.9	Very low	231 Å²	231	125.5 Å²	125.5	87%	0.872	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-56.1	129.2	161.6	-159.4	179.2	-167.1	-167.2	3.3	106.3	T20 Q24	T20-R22 PolarHBondContact O-N 2.8Å; R22-Q24 PolarHBondContact O-N 3.04Å
23	P	28.4	Very low	35.5	Very low	116 Å²	116	122.5 Å²	122.5	75%	0.753	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-60.9	119.1	179.4	24.6	-32.4	0	0	0	108
24	Q	30.2	Very low	37.4	Very low	171 Å²	171	121.5 Å²	121.5	80%	0.799	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-58	143.8	165.5	-67.8	-177	-10.8	0	0	107.7	R22 G26	R22-Q24 PolarHBondContact O-N 3.04Å; Q24-G26 PolarHBondContact O-N 3.41Å
25	P	31.7	Very low	39.5	Very low	127 Å²	127	118.2 Å²	118.2	83%	0.825	69%	0.689	S	S	*	*			trans	-57.5	109.8	167.2	25.6	-32.1	0	0	0	106.6	S27	P25-S27 PolarHBondContact O-N 3.45Å
26	G	26.6	Very low	41.8	Very low	57 Å²	57	116.9 Å²	116.9	59%	0.588	67%	0.67	S	S	*	*			trans	-56.6	119.8	-172.8	0	0	0	0	0	108.7	Q24 F28	Q24-G26 PolarHBondContact O-N 3.41Å; G26-F28 PolarHBondContact O-N 2.91Å
27	S	32.7	Very low	44.1	Very low	111 Å²	111	113.3 Å²	113.3	78%	0.776	64%	0.635	S	S	*	*			trans	-67.7	80.3	172.5	48.8	0	0	0	0	108.4	P25 T29	P25-S27 PolarHBondContact O-N 3.45Å; S27-T29 PolarHBondContact O-N 2.76Å
28	F	33.8	Very low	46.1	Very low	190 Å²	190	110.8 Å²	110.8	83%	0.833	61%	0.611	S	S	*	*			trans	-60.5	89.2	166.1	-93.9	-89.1	0	0	0	107	G26 P30	G26-F28 PolarHBondContact O-N 2.91Å; F28-P30 WeakPolarHBondContact O-CD 3.44Å
29	T	32.1	Very low	48.4	Very low	125 Å²	125	113.8 Å²	113.8	77%	0.767	61%	0.607	S	S	*	*			trans	-54.2	109.2	153.6	37.9	0	0	0	0	105.3	S27 S31	S27-T29 PolarHBondContact O-N 2.76Å; T29-S31 PolarHBondContact O-N 2.78Å
30	P	39.5	Very low	50.8	Low	41 Å²	41	111.6 Å²	111.6	27%	0.266	58%	0.582	S	S	.	*			trans	-62.6	140.5	-174.1	-19.3	31.9	0	0	0	107.9	F28 R32 L34 L35	F28-P30 WeakPolarHBondContact O-CD 3.44Å; P30-R32 PolarHBondContact O-N 3.02Å; P30-L34 HydrophobicContact CB-CB 4.07Å; P30-L34 HydrophobicContact CB-CD2 3.99Å; P30-L35 HydrophobicContact CB-CD1 3.87Å; P30-L35 HydrophobicContact CB-CG 3.81Å; P30-L35 HydrophobicContact CG-CD1 3.96Å; P30-L35 HydrophobicContact CG-CG 3.97Å
31	S	47.3	Very low	53.1	Low	66 Å²	66	105.5 Å²	105.5	46%	0.462	54%	0.544	S	S	.	.			trans	-51	146.4	168	61.1	0	0	0	0	108.7	T29 S33 L34 L35	T29-S31 PolarHBondContact O-N 2.78Å; S31-S33 CarbonylContact O-C 3.41Å; S31-S33 PolarHBondContact O-N 3.4Å; S31-S33 PolarHBondContact OG-OG 3.31Å; S31-L34 PolarHBondContact O-N 2.77Å; S31-L34 PolarHBondContact OG-N 3.2Å; S31-L35 PolarHBondContact O-N 3.33Å
32	R	53.5	Low	55.5	Low	235 Å²	235	105.5 Å²	105.5	89%	0.887	53%	0.532	S	S	*	.	H	α-helix	trans	-52.8	-31.5	-177.6	-154.5	175.4	-174.4	-177	0.4	111.5	P30 E36	P30-R32 PolarHBondContact O-N 3.02Å; R32-E36 PolarHBondContact O-N 2.89Å
33	S	65.9	Low	57.9	Low	65 Å²	65	98.4 Å²	98.4	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-68.8	-41.2	171.7	54.4	0	0	0	0	115	S31 L35 E36 W37	S31-S33 CarbonylContact O-C 3.41Å; S31-S33 PolarHBondContact O-N 3.4Å; S31-S33 PolarHBondContact OG-OG 3.31Å; S33-L35 VanDerWaalsContact C-N 3.35Å; S33-L35 PolarHBondContact O-N 2.94Å; S33-E36 WeakPolarHBondContact O-CB 3.23Å; S33-E36 PolarHBondContact O-N 2.67Å; S33-E36 VanDerWaalsContact O-N 3.16Å; S33-W37 VanDerWaalsContact O-CD1 3.24Å; S33-W37 PolarHBondContact O-N 2.76Å
34	L	70.3	Confident	60.6	Low	39 Å²	39	93.2 Å²	93.2	20%	0.204	48%	0.483	C	S	.	.	H	α-helix	trans	-65.3	-39	-179.6	-163.5	88.1	0	0	0	111.8	P30 S31 E36 W37 R38 T275	P30-L34 HydrophobicContact CB-CB 4.07Å; P30-L34 HydrophobicContact CB-CD2 3.99Å; S31-L34 PolarHBondContact O-N 2.77Å; S31-L34 PolarHBondContact OG-N 3.2Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 2.68Å; L34-W37 PolarHBondContact O-N 3Å; L34-R38 WeakPolarHBondContact O-CG 3.26Å; L34-R38 PolarHBondContact O-N 2.84Å; L34-T275 HydrophobicContact CD1-CG2 4.08Å
35	L	73.1	Confident	63.2	Low	75 Å²	75	85.8 Å²	85.8	39%	0.393	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-35.8	173.7	-90.5	154.2	0	0	0	112.3	P30 S31 S33 R39	P30-L35 HydrophobicContact CB-CD1 3.87Å; P30-L35 HydrophobicContact CB-CG 3.81Å; P30-L35 HydrophobicContact CG-CD1 3.96Å; P30-L35 HydrophobicContact CG-CG 3.97Å; S31-L35 PolarHBondContact O-N 3.33Å; S33-L35 VanDerWaalsContact C-N 3.35Å; S33-L35 PolarHBondContact O-N 2.94Å; L35-R39 WeakPolarHBondContact O-CG 3.49Å; L35-R39 PolarHBondContact O-N 3.07Å
36	E	78	Confident	65.6	Low	88 Å²	88	84.4 Å²	84.4	41%	0.411	43%	0.432	S	S	.	.	H	α-helix	trans	-70.2	-47.8	174.9	-166.3	179.5	154	0	0	111.5	R32 S33 L34 R38 R39 R40	R32-E36 PolarHBondContact O-N 2.89Å; S33-E36 WeakPolarHBondContact O-CB 3.23Å; S33-E36 PolarHBondContact O-N 2.67Å; S33-E36 VanDerWaalsContact O-N 3.16Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 2.68Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 2.96Å; E36-R39 WeakPolarHBondContact O-CA 3.17Å; E36-R39 WeakPolarHBondContact O-CB 3.4Å; E36-R39 PolarHBondContact O-N 3.29Å; E36-R40 WeakPolarHBondContact O-CG 3.13Å; E36-R40 PolarHBondContact O-N 2.81Å; E36-R40 IonicContact OE1-CZ 3.9Å; E36-R40 IonicContact OE1-NE 2.72Å; E36-R40 PolarHBondContact OE1-NE 2.77Å; E36-R40 IonicContact OE1-NH2 2.77Å; E36-R40 PolarHBondContact OE1-NH2 3.08Å
37	W	79.8	Confident	68.4	Low	26 Å²	26	87.6 Å²	87.6	10%	0.098	43%	0.426	C	S	.	.	H	α-helix	trans	-58.4	-38.5	174.3	-82	101.4	0	0	0	112.4	S33 L34 R39 R40 V41 L200 I273 A276	S33-W37 VanDerWaalsContact O-CD1 3.24Å; S33-W37 PolarHBondContact O-N 2.76Å; L34-W37 PolarHBondContact O-N 3Å; W37-R39 VanDerWaalsContact C-N 3.34Å; W37-R39 PolarHBondContact O-N 3.11Å; W37-R40 PolarHBondContact O-N 2.96Å; W37-V41 WeakPolarHBondContact O-CB 3.46Å; W37-V41 WeakPolarHBondContact O-CG2 3.34Å; W37-V41 PolarHBondContact O-N 3.45Å; W37-L200 HydrophobicContact CZ3-CD2 4.32Å; W37-I273 HydrophobicContact CE3-CG1 4.29Å; W37-I273 HydrophobicContact CH2-CG1 4.21Å; W37-I273 HydrophobicContact CZ3-CD1 4.47Å; W37-I273 HydrophobicContact CZ3-CG1 3.82Å; W37-A276 HydrophobicContact CB-CB 3.78Å
38	R	78.3	Confident	70.8	Confident	84 Å²	84	82.7 Å²	82.7	32%	0.317	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-40	171.1	-76.4	-174.5	-176.6	178.5	7.2	112.8	L34 E36 K42 S279 M280	L34-R38 WeakPolarHBondContact O-CG 3.26Å; L34-R38 PolarHBondContact O-N 2.84Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 2.96Å; R38-K42 WeakPolarHBondContact O-CB 3.36Å; R38-K42 PolarHBondContact O-N 2.75Å; R38-S279 PolarHBondContact NE-OG 2.85Å; R38-M280 HydrophobicContact CB-CG 4.4Å; R38-M280 HydrophobicContact CB-SD 4.03Å; R38-M280 HydrophobicContact CG-CG 4.13Å; R38-M280 HydrophobicContact CG-SD 4.08Å
39	R	81.2	Confident	73.2	Confident	179 Å²	179	79.9 Å²	79.9	68%	0.675	38%	0.375	S	S	*	.	H	α-helix	trans	-68	-43.3	174.8	-66.3	178.6	-156.5	171.5	5	111.7	L35 E36 W37 K42 S43	L35-R39 WeakPolarHBondContact O-CG 3.49Å; L35-R39 PolarHBondContact O-N 3.07Å; E36-R39 WeakPolarHBondContact O-CA 3.17Å; E36-R39 WeakPolarHBondContact O-CB 3.4Å; E36-R39 PolarHBondContact O-N 3.29Å; W37-R39 VanDerWaalsContact C-N 3.34Å; W37-R39 PolarHBondContact O-N 3.11Å; R39-K42 PolarHBondContact O-N 3.06Å; R39-S43 WeakPolarHBondContact O-CB 3.46Å; R39-S43 PolarHBondContact O-N 3.03Å
40	R	83.2	Confident	75.5	Confident	68 Å²	68	80 Å²	80	26%	0.257	37%	0.367	S	S	.	.	H	α-helix	trans	-58.2	-49.9	175.4	-66	-179.6	-175.6	-159	2.4	110.2	E36 W37 K42 S43 E44 L200 D207	E36-R40 WeakPolarHBondContact O-CG 3.13Å; E36-R40 PolarHBondContact O-N 2.81Å; E36-R40 IonicContact OE1-CZ 3.9Å; E36-R40 IonicContact OE1-NE 2.72Å; E36-R40 PolarHBondContact OE1-NE 2.77Å; E36-R40 IonicContact OE1-NH2 2.77Å; E36-R40 PolarHBondContact OE1-NH2 3.08Å; W37-R40 PolarHBondContact O-N 2.96Å; R40-K42 PolarHBondContact O-N 2.81Å; R40-S43 PolarHBondContact O-N 2.84Å; R40-E44 WeakPolarHBondContact O-CB 3.49Å; R40-E44 PolarHBondContact O-N 3.1Å; R40-L200 HydrophobicContact CB-CD2 4.42Å; R40-D207 IonicContact CZ-OD2 2.77Å; R40-D207 IonicContact NH1-OD1 3.8Å; R40-D207 PolarHBondContact NH1-OD1 2.83Å; R40-D207 IonicContact NH1-OD2 3.28Å; R40-D207 PolarHBondContact NH1-OD2 2.86Å; R40-D207 IonicContact NH2-OD1 3.45Å; R40-D207 IonicContact NH2-OD2 3.31Å
41	V	84.4	Confident	77.6	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-54.3	-49.6	173.1	169.8	0	0	0	0	111.8	W37 E44 Y45 L196 L200 A276 I277 M280 F281	W37-V41 WeakPolarHBondContact O-CB 3.46Å; W37-V41 WeakPolarHBondContact O-CG2 3.34Å; W37-V41 PolarHBondContact O-N 3.45Å; V41-E44 PolarHBondContact O-N 3.22Å; V41-Y45 WeakPolarHBondContact O-CB 3.48Å; V41-Y45 PolarHBondContact O-N 2.71Å; V41-L196 HydrophobicContact CG1-CD2 4.41Å; V41-L200 HydrophobicContact CB-CD1 4.42Å; V41-L200 HydrophobicContact CG2-CD1 3.64Å; V41-L200 HydrophobicContact CG2-CD2 4.38Å; V41-A276 HydrophobicContact CG2-CB 3.93Å; V41-I277 HydrophobicContact CG1-CG1 4.21Å; V41-I277 HydrophobicContact CG2-CG1 4.01Å; V41-M280 HydrophobicContact CG1-CB 4.27Å; V41-M280 HydrophobicContact CG1-CG 3.99Å; V41-F281 HydrophobicContact CG1-CE2 4.36Å
42	K	81.8	Confident	79.2	Confident	122 Å²	122	79.4 Å²	79.4	53%	0.53	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-42.9	-179.6	-173.1	172.7	-176.4	169.2	0	112.3	R38 R39 R40 M46 M280	R38-K42 WeakPolarHBondContact O-CB 3.36Å; R38-K42 PolarHBondContact O-N 2.75Å; R39-K42 PolarHBondContact O-N 3.06Å; R40-K42 PolarHBondContact O-N 2.81Å; K42-M46 WeakPolarHBondContact O-CB 3.28Å; K42-M46 VanDerWaalsContact O-CG 3.25Å; K42-M46 WeakPolarHBondContact O-CG 3.49Å; K42-M46 PolarHBondContact O-N 3.21Å; K42-M46 VanDerWaalsContact O-N 3.12Å; K42-M280 HydrophobicContact CB-CE 4.17Å; K42-M280 HydrophobicContact CD-CE 4.37Å; K42-M280 HydrophobicContact CG-CE 4.43Å
43	S	84	Confident	80.4	Confident	82 Å²	82	77.8 Å²	77.8	57%	0.573	35%	0.348	S	S	*	.	H	α-helix	trans	-62.5	-50	177.5	-170.5	0	0	0	0	111	R39 R40 M46 R47	R39-S43 WeakPolarHBondContact O-CB 3.46Å; R39-S43 PolarHBondContact O-N 3.03Å; R40-S43 PolarHBondContact O-N 2.84Å; S43-M46 PolarHBondContact O-N 3.48Å; S43-R47 PolarHBondContact O-N 2.83Å
44	E	85.3	Confident	81.2	Confident	7 Å²	7	79.7 Å²	79.7	3%	0.033	35%	0.353	C	S	.	.	H	α-helix	trans	-71	-38.1	-175.4	-171.4	52.2	-152.6	0	0	112.3	R40 V41 M46 R47 L48 L196 A199 L200	R40-E44 WeakPolarHBondContact O-CB 3.49Å; R40-E44 PolarHBondContact O-N 3.1Å; V41-E44 PolarHBondContact O-N 3.22Å; E44-M46 VanDerWaalsContact C-N 3.32Å; E44-M46 PolarHBondContact O-N 3.23Å; E44-R47 VanDerWaalsContact CD-NE 3.26Å; E44-R47 PolarHBondContact O-N 3.16Å; E44-R47 IonicContact OE1-CZ 2.72Å; E44-R47 IonicContact OE1-NE 3.69Å; E44-R47 PolarHBondContact OE1-NE 2.89Å; E44-R47 IonicContact OE1-NH2 3.41Å; E44-R47 PolarHBondContact OE1-NH2 3.24Å; E44-R47 WeakPolarHBondContact OE2-CD 3.48Å; E44-R47 IonicContact OE2-CZ 2.94Å; E44-R47 IonicContact OE2-NE 3.95Å; E44-R47 PolarHBondContact OE2-NE 3.45Å; E44-R47 IonicContact OE2-NH2 3.75Å; E44-L48 HydrophobicContact CG-CD1 4.18Å; E44-L48 HydrophobicContact CG-CG 4.5Å; E44-L48 WeakPolarHBondContact O-CB 3.34Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.04Å; E44-L48 WeakPolarHBondContact OE1-CG 3.49Å; E44-L196 HydrophobicContact CB-CD1 3.99Å; E44-L196 HydrophobicContact CG-CD1 3.97Å; E44-A199 HydrophobicContact CG-CB 3.83Å; E44-A199 WeakPolarHBondContact OE1-CB 3.24Å; E44-L200 HydrophobicContact CB-CD2 4.3Å
45	Y	84.1	Confident	81.7	Confident	14 Å²	14	84.7 Å²	84.7	6%	0.055	37%	0.373	C	S	.	.	H	α-helix	trans	-57.5	-43.9	169.4	169.1	-99.6	0	0	0	111.8	V41 R49 G186 F187 I188 I192 F281	V41-Y45 WeakPolarHBondContact O-CB 3.48Å; V41-Y45 PolarHBondContact O-N 2.71Å; Y45-R49 WeakPolarHBondContact O-CB 3.08Å; Y45-R49 PolarHBondContact O-N 2.95Å; Y45-G186 PolarHBondContact OH-O 2.75Å; Y45-F187 PolarHBondContact OH-O 2.95Å; Y45-I188 HydrophobicContact CD2-CD1 4.11Å; Y45-I188 HydrophobicContact CD2-CG1 4.29Å; Y45-I188 HydrophobicContact CE2-CB 4.08Å; Y45-I188 HydrophobicContact CE2-CD1 4.28Å; Y45-I188 HydrophobicContact CE2-CG1 4Å; Y45-I192 HydrophobicContact CD2-CG2 4.02Å; Y45-I192 HydrophobicContact CE2-CG2 4.12Å; Y45-F281 HydrophobicContact CD1-CZ 4.47Å; Y45-F281 AromaticContact CD2-CZ 3.95Å; Y45-F281 HydrophobicContact CD2-CZ 3.95Å; Y45-F281 HydrophobicContact CE2-CE1 4.44Å; Y45-F281 HydrophobicContact CE2-CZ 4.07Å; Y45-F281 HydrophobicContact CG-CZ 4.16Å
46	M	81.8	Confident	82.1	Confident	99 Å²	99	85.4 Å²	85.4	49%	0.488	37%	0.373	S	S	.	.	H	α-helix	trans	-66.9	-40.9	177.1	-72.8	-67.1	-73.1	0	0	112	K42 S43 E44 R49 Q50	K42-M46 WeakPolarHBondContact O-CB 3.28Å; K42-M46 VanDerWaalsContact O-CG 3.25Å; K42-M46 WeakPolarHBondContact O-CG 3.49Å; K42-M46 PolarHBondContact O-N 3.21Å; K42-M46 VanDerWaalsContact O-N 3.12Å; S43-M46 PolarHBondContact O-N 3.48Å; E44-M46 VanDerWaalsContact C-N 3.32Å; E44-M46 PolarHBondContact O-N 3.23Å; M46-R49 PolarHBondContact O-N 3.45Å; M46-Q50 WeakPolarHBondContact O-CB 3.4Å; M46-Q50 PolarHBondContact O-N 3.43Å
47	R	86.5	Confident	82.4	Confident	123 Å²	123	84.9 Å²	84.9	46%	0.464	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-51.1	175.7	-167.1	-168.7	75.3	91.4	0	111.6	S43 E44 Q50 L51	S43-R47 PolarHBondContact O-N 2.83Å; E44-R47 VanDerWaalsContact CD-NE 3.26Å; E44-R47 PolarHBondContact O-N 3.16Å; E44-R47 IonicContact OE1-CZ 2.72Å; E44-R47 IonicContact OE1-NE 3.69Å; E44-R47 PolarHBondContact OE1-NE 2.89Å; E44-R47 IonicContact OE1-NH2 3.41Å; E44-R47 PolarHBondContact OE1-NH2 3.24Å; E44-R47 WeakPolarHBondContact OE2-CD 3.48Å; E44-R47 IonicContact OE2-CZ 2.94Å; E44-R47 IonicContact OE2-NE 3.95Å; E44-R47 PolarHBondContact OE2-NE 3.45Å; E44-R47 IonicContact OE2-NH2 3.75Å; R47-Q50 PolarHBondContact O-N 3.26Å; R47-L51 WeakPolarHBondContact O-CB 3.28Å; R47-L51 PolarHBondContact O-N 2.87Å
48	L	83.8	Confident	82.6	Confident	9 Å²	9	89.1 Å²	89.1	5%	0.047	40%	0.4	C	S	.	.	H	α-helix	trans	-63.7	-41.8	178	-71	171.6	0	0	0	111.8	E44 Q50 L51 K52 E195 L196 A199	E44-L48 HydrophobicContact CG-CD1 4.18Å; E44-L48 HydrophobicContact CG-CG 4.5Å; E44-L48 WeakPolarHBondContact O-CB 3.34Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.04Å; E44-L48 WeakPolarHBondContact OE1-CG 3.49Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-Q50 PolarHBondContact O-N 3.08Å; L48-L51 PolarHBondContact O-N 2.89Å; L48-K52 WeakPolarHBondContact O-CB 3.46Å; L48-K52 PolarHBondContact O-N 2.67Å; L48-E195 HydrophobicContact CD1-CB 4.27Å; L48-L196 HydrophobicContact CD1-CB 4.05Å; L48-L196 HydrophobicContact CD1-CD1 4.2Å; L48-A199 HydrophobicContact CD1-CB 4.21Å
49	R	82.6	Confident	83	Confident	131 Å²	131	90.7 Å²	90.7	49%	0.494	41%	0.411	S	S	.	.	H	α-helix	trans	-61.8	-40.8	175.3	-174.7	177.4	178.2	-138.1	2	111.6	Y45 M46 R53	Y45-R49 WeakPolarHBondContact O-CB 3.08Å; Y45-R49 PolarHBondContact O-N 2.95Å; M46-R49 PolarHBondContact O-N 3.45Å; R49-R53 WeakPolarHBondContact O-CB 3.38Å; R49-R53 PolarHBondContact O-N 3.02Å
50	Q	81	Confident	83.4	Confident	128 Å²	128	85.1 Å²	85.1	60%	0.598	40%	0.397	S	S	*	.	H	α-helix	trans	-69.3	-42.8	175.5	-173.5	171.6	-1	0	0	112	M46 R47 L48 R53 L54	M46-Q50 WeakPolarHBondContact O-CB 3.4Å; M46-Q50 PolarHBondContact O-N 3.43Å; R47-Q50 PolarHBondContact O-N 3.26Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-Q50 PolarHBondContact O-N 3.08Å; Q50-R53 WeakPolarHBondContact O-CB 3.21Å; Q50-R53 PolarHBondContact O-N 3.06Å; Q50-L54 HydrophobicContact CG-CD1 4.41Å; Q50-L54 WeakPolarHBondContact O-CG 3.49Å; Q50-L54 PolarHBondContact O-N 3.47Å
51	L	83.7	Confident	83.8	Confident	69 Å²	69	87.9 Å²	87.9	36%	0.361	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-45.6	177.1	-175.8	65.7	0	0	0	112	R47 L48 L54 K55	R47-L51 WeakPolarHBondContact O-CB 3.28Å; R47-L51 PolarHBondContact O-N 2.87Å; L48-L51 PolarHBondContact O-N 2.89Å; L51-L54 PolarHBondContact O-N 2.78Å; L51-K55 PolarHBondContact O-N 3.02Å
52	K	81.6	Confident	84.2	Confident	25 Å²	25	91.2 Å²	91.2	11%	0.109	43%	0.434	C	S	.	.	H	α-helix	trans	-63.1	-41.2	172.5	-77	-150.3	-179	-168.5	0	111.8	L48 L54 K55 K56 E191 I192 E195	L48-K52 WeakPolarHBondContact O-CB 3.46Å; L48-K52 PolarHBondContact O-N 2.67Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 3.25Å; K52-K55 PolarHBondContact O-N 3.41Å; K52-K56 VanDerWaalsContact O-CB 3.26Å; K52-K56 WeakPolarHBondContact O-CB 3.39Å; K52-K56 VanDerWaalsContact O-CG 3.31Å; K52-K56 WeakPolarHBondContact O-CG 3.23Å; K52-K56 PolarHBondContact O-N 2.81Å; K52-E191 VanDerWaalsContact NZ-CB 3.3Å; K52-E191 IonicContact NZ-OE2 2.93Å; K52-E191 PolarHBondContact NZ-OE2 2.58Å; K52-E191 VanDerWaalsContact NZ-OE2 3.07Å; K52-I192 HydrophobicContact CD-CG1 3.96Å; K52-E195 WeakPolarHBondContact CE-OE1 3.38Å; K52-E195 WeakPolarHBondContact CE-OE2 3.26Å; K52-E195 IonicContact NZ-OE1 3.75Å; K52-E195 PolarHBondContact NZ-OE1 3.48Å; K52-E195 IonicContact NZ-OE2 3.64Å
53	R	78.9	Confident	84.7	Confident	200 Å²	200	91.1 Å²	91.1	76%	0.755	44%	0.439	S	S	*	.	H	α-helix	trans	-57.5	-46.1	175.6	-176.9	-178.1	-179.9	-157.2	0.4	110.6	R49 Q50 K56 V57	R49-R53 WeakPolarHBondContact O-CB 3.38Å; R49-R53 PolarHBondContact O-N 3.02Å; Q50-R53 WeakPolarHBondContact O-CB 3.21Å; Q50-R53 PolarHBondContact O-N 3.06Å; R53-K56 PolarHBondContact O-N 2.78Å; R53-V57 WeakPolarHBondContact O-CG2 3.49Å; R53-V57 PolarHBondContact O-N 3.02Å; R53-V57 VanDerWaalsContact O-N 3.16Å
54	L	81.9	Confident	85.3	Confident	106 Å²	106	93.9 Å²	93.9	56%	0.555	44%	0.441	S	S	*	.	H	α-helix	trans	-64	-50.8	177.8	-71.6	170.6	0	0	0	112.3	Q50 L51 K52 K56 V57	Q50-L54 HydrophobicContact CG-CD1 4.41Å; Q50-L54 WeakPolarHBondContact O-CG 3.49Å; Q50-L54 PolarHBondContact O-N 3.47Å; L51-L54 PolarHBondContact O-N 2.78Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 3.25Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.08Å; L54-V57 WeakPolarHBondContact O-CB 3.38Å; L54-V57 PolarHBondContact O-N 3.16Å
55	K	81	Confident	85.7	Confident	143 Å²	143	98.7 Å²	98.7	62%	0.622	47%	0.465	S	S	*	.	H	α-helix	trans	-57.1	-41.3	175.6	-72.8	-177.3	177.4	-177.4	0	112.2	L51 K52 V57	L51-K55 PolarHBondContact O-N 3.02Å; K52-K55 PolarHBondContact O-N 3.41Å; K55-V57 VanDerWaalsContact C-N 3.26Å; K55-V57 PolarHBondContact O-N 2.91Å
56	K	80.4	Confident	86.3	Confident	90 Å²	90	100.5 Å²	100.5	39%	0.391	48%	0.479	S	S	.	.	H	α-helix	trans	-70.3	-13.1	176.4	-71.6	-171.6	175.8	-171.2	0	113.6	K52 R53 L54 D58 V60	K52-K56 VanDerWaalsContact O-CB 3.26Å; K52-K56 WeakPolarHBondContact O-CB 3.39Å; K52-K56 VanDerWaalsContact O-CG 3.31Å; K52-K56 WeakPolarHBondContact O-CG 3.23Å; K52-K56 PolarHBondContact O-N 2.81Å; R53-K56 PolarHBondContact O-N 2.78Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.08Å; K56-D58 PolarHBondContact O-N 3.11Å; K56-V60 HydrophobicContact CB-CG2 4.43Å; K56-V60 WeakPolarHBondContact O-CB 3.3Å; K56-V60 WeakPolarHBondContact O-CG2 3.48Å; K56-V60 PolarHBondContact O-N 3.25Å
57	V	85.8	Confident	87	Confident	77 Å²	77	99.4 Å²	99.4	47%	0.467	48%	0.475	S	S	.	.	H	α-helix	trans	-60.8	-46.6	177.1	175.1	0	0	0	0	110.9	R53 L54 K55 V60 K61	R53-V57 WeakPolarHBondContact O-CG2 3.49Å; R53-V57 PolarHBondContact O-N 3.02Å; R53-V57 VanDerWaalsContact O-N 3.16Å; L54-V57 WeakPolarHBondContact O-CB 3.38Å; L54-V57 PolarHBondContact O-N 3.16Å; K55-V57 VanDerWaalsContact C-N 3.26Å; K55-V57 PolarHBondContact O-N 2.91Å; V57-V60 PolarHBondContact O-N 2.99Å; V57-K61 WeakPolarHBondContact O-CB 3.45Å; V57-K61 PolarHBondContact O-N 3.46Å
58	D	83.3	Confident	87.5	Confident	115 Å²	115	100 Å²	100	62%	0.615	48%	0.477	S	S	*	.	H	α-helix	trans	-73.1	-38.7	-176.5	-68.4	-39.7	0	0	0	112.2	K56 K61 S62	K56-D58 PolarHBondContact O-N 3.11Å; D58-K61 PolarHBondContact O-N 3.21Å; D58-S62 WeakPolarHBondContact O-CB 3.31Å; D58-S62 PolarHBondContact O-N 3.48Å
59	E	86.1	Confident	88.1	Confident	118 Å²	118	105.8 Å²	105.8	55%	0.551	50%	0.504	S	S	*	.	H	α-helix	trans	-60.1	-49.7	171.1	-65.1	175.7	176.7	0	0	111.3	K61 S62 L63	E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 2.9Å; E59-S62 WeakPolarHBondContact O-CB 3.4Å; E59-S62 PolarHBondContact O-N 3.34Å; E59-L63 WeakPolarHBondContact O-CG 3.47Å; E59-L63 PolarHBondContact O-N 3.18Å
60	V	90.4	Very high	88.8	Confident	61 Å²	61	105.9 Å²	105.9	37%	0.37	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-37.7	178.6	167.4	0	0	0	0	111	K56 V57 L63 F64	K56-V60 HydrophobicContact CB-CG2 4.43Å; K56-V60 WeakPolarHBondContact O-CB 3.3Å; K56-V60 WeakPolarHBondContact O-CG2 3.48Å; K56-V60 PolarHBondContact O-N 3.25Å; V57-V60 PolarHBondContact O-N 2.99Å; V60-L63 PolarHBondContact O-N 3.4Å; V60-F64 HydrophobicContact CG1-CD2 3.52Å; V60-F64 HydrophobicContact CG1-CE2 3.52Å; V60-F64 WeakPolarHBondContact O-CB 3.31Å; V60-F64 VanDerWaalsContact O-CD2 3.27Å; V60-F64 WeakPolarHBondContact O-CD2 3.28Å; V60-F64 PolarHBondContact O-N 3.41Å
61	K	91.9	Very high	89.6	Confident	127 Å²	127	103.1 Å²	103.1	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-63.1	-42.7	173.9	-177.6	177.8	175.3	-176	0	111.5	V57 D58 E59 F64 M65	V57-K61 WeakPolarHBondContact O-CB 3.45Å; V57-K61 PolarHBondContact O-N 3.46Å; D58-K61 PolarHBondContact O-N 3.21Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 2.9Å; K61-F64 PolarHBondContact O-N 2.91Å; K61-M65 WeakPolarHBondContact O-CG 3.29Å; K61-M65 PolarHBondContact O-N 3.14Å
62	S	91.7	Very high	90.3	Very high	70 Å²	70	103.6 Å²	103.6	49%	0.49	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-46.9	173.2	-172.1	0	0	0	0	111.8	D58 E59 F64 M65 S66	D58-S62 WeakPolarHBondContact O-CB 3.31Å; D58-S62 PolarHBondContact O-N 3.48Å; E59-S62 WeakPolarHBondContact O-CB 3.4Å; E59-S62 PolarHBondContact O-N 3.34Å; S62-F64 VanDerWaalsContact C-N 3.35Å; S62-F64 PolarHBondContact O-N 3.32Å; S62-M65 PolarHBondContact O-N 2.79Å; S62-S66 PolarHBondContact O-N 2.86Å
63	L	93.6	Very high	91	Very high	120 Å²	120	107.7 Å²	107.7	63%	0.628	52%	0.52	S	S	*	.	H	α-helix	trans	-61.8	-38.9	175.1	-69.8	171	0	0	0	112.5	E59 V60 S66 N67	E59-L63 WeakPolarHBondContact O-CG 3.47Å; E59-L63 PolarHBondContact O-N 3.18Å; V60-L63 PolarHBondContact O-N 3.4Å; L63-S66 PolarHBondContact O-N 2.8Å; L63-N67 VanDerWaalsContact O-CB 3.24Å; L63-N67 WeakPolarHBondContact O-CB 3.22Å; L63-N67 PolarHBondContact O-N 3.28Å
64	F	95.7	Very high	91.8	Very high	139 Å²	139	104 Å²	104	61%	0.61	51%	0.511	S	S	*	.	H	α-helix	trans	-64.5	-41.7	174.3	-94.6	-67.5	0	0	0	112.1	V60 K61 S62 N67 R68	V60-F64 HydrophobicContact CG1-CD2 3.52Å; V60-F64 HydrophobicContact CG1-CE2 3.52Å; V60-F64 WeakPolarHBondContact O-CB 3.31Å; V60-F64 VanDerWaalsContact O-CD2 3.27Å; V60-F64 WeakPolarHBondContact O-CD2 3.28Å; V60-F64 PolarHBondContact O-N 3.41Å; K61-F64 PolarHBondContact O-N 2.91Å; S62-F64 VanDerWaalsContact C-N 3.35Å; S62-F64 PolarHBondContact O-N 3.32Å; F64-N67 PolarHBondContact O-N 2.79Å; F64-R68 WeakPolarHBondContact O-CB 3.46Å; F64-R68 PolarHBondContact O-N 2.91Å
65	M	94.4	Very high	92.6	Very high	109 Å²	109	101.6 Å²	101.6	54%	0.537	50%	0.501	S	S	.	.	H	α-helix	trans	-65	-43.4	175.6	-69.1	-174.6	-60.3	0	0	111.5	K61 S62 R68 Q69	K61-M65 WeakPolarHBondContact O-CG 3.29Å; K61-M65 PolarHBondContact O-N 3.14Å; S62-M65 PolarHBondContact O-N 2.79Å; M65-R68 PolarHBondContact O-N 2.73Å; M65-Q69 WeakPolarHBondContact O-CG 3.49Å; M65-Q69 PolarHBondContact O-N 2.82Å
66	S	96	Very high	93.3	Very high	51 Å²	51	99.3 Å²	99.3	36%	0.357	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-42.7	174.4	-177.2	0	0	0	0	112.2	S62 L63 R68 Q69 K70	S62-S66 PolarHBondContact O-N 2.86Å; L63-S66 PolarHBondContact O-N 2.8Å; S66-R68 VanDerWaalsContact C-N 3.32Å; S66-R68 PolarHBondContact O-N 3.45Å; S66-Q69 PolarHBondContact O-N 3.43Å; S66-K70 WeakPolarHBondContact O-CG 3.3Å; S66-K70 PolarHBondContact O-N 2.93Å
67	N	97.3	Very high	94.1	Very high	76 Å²	76	99.8 Å²	99.8	41%	0.406	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-35.9	175.5	-168.2	45.4	0	0	0	111.7	L63 F64 K70 I71	L63-N67 VanDerWaalsContact O-CB 3.24Å; L63-N67 WeakPolarHBondContact O-CB 3.22Å; L63-N67 PolarHBondContact O-N 3.28Å; F64-N67 PolarHBondContact O-N 2.79Å; N67-K70 WeakPolarHBondContact O-CB 3.49Å; N67-K70 PolarHBondContact O-N 3.04Å; N67-I71 VanDerWaalsContact O-CG1 3.3Å; N67-I71 WeakPolarHBondContact O-CG1 3.14Å; N67-I71 PolarHBondContact O-N 2.86Å
68	R	97	Very high	94.6	Very high	135 Å²	135	101 Å²	101	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-41.9	176.5	-178.4	63.2	-169.1	-176.8	8.3	111.8	F64 M65 S66 K70 I71 E72	F64-R68 WeakPolarHBondContact O-CB 3.46Å; F64-R68 PolarHBondContact O-N 2.91Å; M65-R68 PolarHBondContact O-N 2.73Å; S66-R68 VanDerWaalsContact C-N 3.32Å; S66-R68 PolarHBondContact O-N 3.45Å; R68-K70 VanDerWaalsContact C-N 3.32Å; R68-K70 PolarHBondContact O-N 3.49Å; R68-I71 PolarHBondContact O-N 2.73Å; R68-E72 IonicContact CZ-OE1 3.73Å; R68-E72 VanDerWaalsContact CZ-OE1 3.23Å; R68-E72 IonicContact NE-OE1 2.65Å; R68-E72 PolarHBondContact NE-OE1 3.5Å; R68-E72 IonicContact NH2-OE1 3.8Å; R68-E72 PolarHBondContact NH2-OE1 2.89Å; R68-E72 WeakPolarHBondContact O-CB 3.2Å; R68-E72 WeakPolarHBondContact O-CG 3.11Å; R68-E72 PolarHBondContact O-N 2.8Å
69	Q	96.3	Very high	95.3	Very high	132 Å²	132	99.7 Å²	99.7	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-60.3	-40.4	172.6	-70	171.1	-13.7	0	0	112.1	M65 S66 E72 L73	M65-Q69 WeakPolarHBondContact O-CG 3.49Å; M65-Q69 PolarHBondContact O-N 2.82Å; S66-Q69 PolarHBondContact O-N 3.43Å; Q69-E72 PolarHBondContact O-N 3.07Å; Q69-L73 WeakPolarHBondContact O-CB 3.3Å; Q69-L73 PolarHBondContact O-N 3.44Å
70	K	97.1	Very high	95.7	Very high	132 Å²	132	97.5 Å²	97.5	57%	0.574	49%	0.493	S	S	*	.	H	α-helix	trans	-63.6	-45.7	173.8	-66.1	174.6	-174.7	178	0	111.7	S66 N67 R68 E72 L73 Q74	S66-K70 WeakPolarHBondContact O-CG 3.3Å; S66-K70 PolarHBondContact O-N 2.93Å; N67-K70 WeakPolarHBondContact O-CB 3.49Å; N67-K70 PolarHBondContact O-N 3.04Å; R68-K70 VanDerWaalsContact C-N 3.32Å; R68-K70 PolarHBondContact O-N 3.49Å; K70-E72 VanDerWaalsContact C-N 3.34Å; K70-E72 PolarHBondContact O-N 3.16Å; K70-L73 PolarHBondContact O-N 3.13Å; K70-Q74 WeakPolarHBondContact O-CB 3.29Å; K70-Q74 PolarHBondContact O-N 3.22Å
71	I	97.8	Very high	96	Very high	70 Å²	70	100.3 Å²	100.3	36%	0.359	50%	0.502	S	S	.	.	H	α-helix	trans	-57.9	-47.4	175.9	-68.2	165.6	0	0	0	110.1	N67 R68 Q74 T75	N67-I71 VanDerWaalsContact O-CG1 3.3Å; N67-I71 WeakPolarHBondContact O-CG1 3.14Å; N67-I71 PolarHBondContact O-N 2.86Å; R68-I71 PolarHBondContact O-N 2.73Å; I71-Q74 PolarHBondContact O-N 3.09Å; I71-T75 HydrophobicContact CG2-CG2 4.15Å; I71-T75 WeakPolarHBondContact O-CB 3.25Å; I71-T75 WeakPolarHBondContact O-CG2 3.32Å; I71-T75 PolarHBondContact O-N 2.93Å; I71-T75 PolarHBondContact O-OG1 2.9Å
72	E	97.1	Very high	96.1	Very high	79 Å²	79	102.5 Å²	102.5	37%	0.369	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-40.3	-179.9	-74.5	171.4	176	0	0	112.6	R68 Q69 K70 T75 N76	R68-E72 IonicContact CZ-OE1 3.73Å; R68-E72 VanDerWaalsContact CZ-OE1 3.23Å; R68-E72 IonicContact NE-OE1 2.65Å; R68-E72 PolarHBondContact NE-OE1 3.5Å; R68-E72 IonicContact NH2-OE1 3.8Å; R68-E72 PolarHBondContact NH2-OE1 2.89Å; R68-E72 WeakPolarHBondContact O-CB 3.2Å; R68-E72 WeakPolarHBondContact O-CG 3.11Å; R68-E72 PolarHBondContact O-N 2.8Å; Q69-E72 PolarHBondContact O-N 3.07Å; K70-E72 VanDerWaalsContact C-N 3.34Å; K70-E72 PolarHBondContact O-N 3.16Å; E72-T75 PolarHBondContact O-OG1 3.45Å; E72-N76 WeakPolarHBondContact O-CB 3.48Å; E72-N76 PolarHBondContact O-N 3.5Å; E72-N76 PolarHBondContact O-ND2 3.07Å
73	L	96.6	Very high	96.2	Very high	111 Å²	111	103.1 Å²	103.1	58%	0.581	51%	0.512	S	S	*	.	H	α-helix	trans	-61.1	-48.7	172.3	-177.3	64.7	0	0	0	111.3	Q69 K70 N76 L77	Q69-L73 WeakPolarHBondContact O-CB 3.3Å; Q69-L73 PolarHBondContact O-N 3.44Å; K70-L73 PolarHBondContact O-N 3.13Å; L73-N76 PolarHBondContact O-N 3.16Å; L73-L77 HydrophobicContact CG-CD1 4.47Å; L73-L77 WeakPolarHBondContact O-CG 3.48Å; L73-L77 PolarHBondContact O-N 3.13Å; L73-L77 VanDerWaalsContact O-N 3.08Å
74	Q	97	Very high	96.2	Very high	122 Å²	122	104.6 Å²	104.6	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-44	-178.2	-143.8	84.7	-3.3	0	0	111.9	K70 I71 L77 L78	K70-Q74 WeakPolarHBondContact O-CB 3.29Å; K70-Q74 PolarHBondContact O-N 3.22Å; I71-Q74 PolarHBondContact O-N 3.09Å; Q74-L77 PolarHBondContact O-N 3.32Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 3Å
75	T	97.7	Very high	96.1	Very high	57 Å²	57	103.1 Å²	103.1	35%	0.35	51%	0.511	S	S	.	.	H	α-helix	trans	-72.1	-33.1	179.3	56.6	0	0	0	0	112.1	I71 E72 L78 N79	I71-T75 HydrophobicContact CG2-CG2 4.15Å; I71-T75 WeakPolarHBondContact O-CB 3.25Å; I71-T75 WeakPolarHBondContact O-CG2 3.32Å; I71-T75 PolarHBondContact O-N 2.93Å; I71-T75 PolarHBondContact O-OG1 2.9Å; E72-T75 PolarHBondContact O-OG1 3.45Å; T75-L78 PolarHBondContact O-N 3.47Å; T75-N79 VanDerWaalsContact O-CB 3.24Å; T75-N79 WeakPolarHBondContact O-CB 3.48Å; T75-N79 PolarHBondContact O-N 3.23Å; T75-N79 PolarHBondContact O-ND2 2.86Å
76	N	97.1	Very high	95.9	Very high	95 Å²	95	110 Å²	110	51%	0.508	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-38.2	172.7	-75.4	-27.7	0	0	0	112.1	E72 L73 T80	E72-N76 WeakPolarHBondContact O-CB 3.48Å; E72-N76 PolarHBondContact O-N 3.5Å; E72-N76 PolarHBondContact O-ND2 3.07Å; L73-N76 PolarHBondContact O-N 3.16Å; N76-T80 WeakPolarHBondContact O-CB 3.46Å; N76-T80 PolarHBondContact O-N 2.88Å; N76-T80 PolarHBondContact O-OG1 3.47Å
77	L	96	Very high	95.7	Very high	100 Å²	100	113.6 Å²	113.6	52%	0.524	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-51.2	172	-70.6	168.6	0	0	0	111.2	L73 Q74 N79 T80 E81	L73-L77 HydrophobicContact CG-CD1 4.47Å; L73-L77 WeakPolarHBondContact O-CG 3.48Å; L73-L77 PolarHBondContact O-N 3.13Å; L73-L77 VanDerWaalsContact O-N 3.08Å; Q74-L77 PolarHBondContact O-N 3.32Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.32Å; L77-T80 CarbonylContact O-C 3.53Å; L77-T80 WeakPolarHBondContact O-CA 3.34Å; L77-T80 WeakPolarHBondContact O-CB 3.31Å; L77-T80 PolarHBondContact O-N 2.83Å; L77-E81 PolarHBondContact O-N 3.46Å
78	L	96.9	Very high	95.3	Very high	101 Å²	101	117.9 Å²	117.9	53%	0.529	56%	0.562	S	S	.	*	H	α-helix	trans	-60.5	-38.9	177.4	-69.7	169.5	0	0	0	112.7	Q74 T75 T80 E81 W82	Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 3Å; T75-L78 PolarHBondContact O-N 3.47Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-E81 PolarHBondContact O-N 3.34Å; L78-W82 WeakPolarHBondContact O-CB 3.44Å; L78-W82 PolarHBondContact O-N 3.21Å
79	N	96.8	Very high	94.8	Very high	89 Å²	89	115.6 Å²	115.6	48%	0.476	57%	0.572	S	S	.	*	H	α-helix	trans	-67.3	-34.9	174.5	-74.3	-23.5	0	0	0	111.9	T75 L77 E81 W82 S83	T75-N79 VanDerWaalsContact O-CB 3.24Å; T75-N79 WeakPolarHBondContact O-CB 3.48Å; T75-N79 PolarHBondContact O-N 3.23Å; T75-N79 PolarHBondContact O-ND2 2.86Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.32Å; N79-E81 VanDerWaalsContact C-N 3.33Å; N79-W82 PolarHBondContact O-N 2.93Å; N79-S83 VanDerWaalsContact O-CB 3.28Å; N79-S83 WeakPolarHBondContact O-CB 3.34Å; N79-S83 PolarHBondContact O-N 3.23Å; N79-S83 PolarHBondContact O-OG 3.16Å
80	T	95.9	Very high	94.2	Very high	71 Å²	71	117 Å²	117	44%	0.436	58%	0.582	S	S	.	*	H	α-helix	trans	-70.2	-29.7	174.7	-56.2	0	0	0	0	111.9	N76 L77 L78 S83 K84	N76-T80 WeakPolarHBondContact O-CB 3.46Å; N76-T80 PolarHBondContact O-N 2.88Å; N76-T80 PolarHBondContact O-OG1 3.47Å; L77-T80 CarbonylContact O-C 3.53Å; L77-T80 WeakPolarHBondContact O-CA 3.34Å; L77-T80 WeakPolarHBondContact O-CB 3.31Å; L77-T80 PolarHBondContact O-N 2.83Å; L78-T80 VanDerWaalsContact C-N 3.34Å; T80-S83 PolarHBondContact O-OG 3.31Å; T80-K84 VanDerWaalsContact O-CD 3.25Å; T80-K84 WeakPolarHBondContact O-CD 3.36Å; T80-K84 WeakPolarHBondContact O-CE 3.37Å; T80-K84 WeakPolarHBondContact O-CG 3.49Å
81	E	95.9	Very high	93.4	Very high	120 Å²	120	115 Å²	115	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-74.3	-48.9	169.8	-69.2	179.9	168.8	0	0	111.3	L77 L78 N79 S83 K84	L77-E81 PolarHBondContact O-N 3.46Å; L78-E81 PolarHBondContact O-N 3.34Å; N79-E81 VanDerWaalsContact C-N 3.33Å; E81-S83 PolarHBondContact O-N 2.87Å; E81-K84 WeakPolarHBondContact O-CB 3.29Å; E81-K84 PolarHBondContact O-N 3.43Å; E81-K84 VanDerWaalsContact O-N 3.14Å
82	W	94.8	Very high	92.1	Very high	173 Å²	173	117.8 Å²	117.8	66%	0.655	60%	0.603	S	S	*	*	H	α-helix	trans	-60.3	-42.8	-179.4	-178.3	79.3	0	0	0	112.9	L78 N79 K84 L85	L78-W82 WeakPolarHBondContact O-CB 3.44Å; L78-W82 PolarHBondContact O-N 3.21Å; N79-W82 PolarHBondContact O-N 2.93Å; W82-K84 PolarHBondContact O-N 3.02Å; W82-L85 WeakPolarHBondContact O-CB 3.41Å; W82-L85 PolarHBondContact O-N 3.45Å
83	S	93.5	Very high	90.5	Very high	84 Å²	84	117.9 Å²	117.9	59%	0.587	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-16.9	177.9	52.5	0	0	0	0	114.7	N79 T80 E81	N79-S83 VanDerWaalsContact O-CB 3.28Å; N79-S83 WeakPolarHBondContact O-CB 3.34Å; N79-S83 PolarHBondContact O-N 3.23Å; N79-S83 PolarHBondContact O-OG 3.16Å; T80-S83 PolarHBondContact O-OG 3.31Å; E81-S83 PolarHBondContact O-N 2.87Å
84	K	94.4	Very high	88.8	Confident	151 Å²	151	118.5 Å²	118.5	66%	0.657	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-20.5	171.2	-64.9	163.5	-172.9	166.2	0	112.2	T80 E81 W82	T80-K84 VanDerWaalsContact O-CD 3.25Å; T80-K84 WeakPolarHBondContact O-CD 3.36Å; T80-K84 WeakPolarHBondContact O-CE 3.37Å; T80-K84 WeakPolarHBondContact O-CG 3.49Å; E81-K84 WeakPolarHBondContact O-CB 3.29Å; E81-K84 PolarHBondContact O-N 3.43Å; E81-K84 VanDerWaalsContact O-N 3.14Å; W82-K84 PolarHBondContact O-N 3.02Å
85	L	93.3	Very high	86.9	Confident	108 Å²	108	119.4 Å²	119.4	57%	0.565	62%	0.623	S	S	*	*			trans	-82.9	125.4	-179.5	-58.1	176.1	0	0	0	110.7	W82 I87	W82-L85 WeakPolarHBondContact O-CB 3.41Å; W82-L85 PolarHBondContact O-N 3.45Å; L85-I87 HydrophobicContact CB-CD1 4.44Å; L85-I87 HydrophobicContact CB-CG1 4.06Å; L85-I87 HydrophobicContact CD1-CD1 4.49Å; L85-I87 PolarHBondContact O-N 3.36Å
86	R	90.5	Very high	84.8	Confident	253 Å²	253	123 Å²	123	96%	0.955	65%	0.65	S	S	*	*			trans	-97.9	78.5	170.1	-66.8	-172.3	178.7	-166.6	0	109.8
87	I	90.9	Very high	82.7	Confident	126 Å²	126	120.5 Å²	120.5	65%	0.646	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-77.4	128.4	177.4	-53.9	178.7	0	0	0	108.9	L85 A89	L85-I87 HydrophobicContact CB-CD1 4.44Å; L85-I87 HydrophobicContact CB-CG1 4.06Å; L85-I87 HydrophobicContact CD1-CD1 4.49Å; L85-I87 PolarHBondContact O-N 3.36Å; I87-A89 PolarHBondContact O-N 3.09Å
88	Q	88	Confident	80.8	Confident	167 Å²	167	121.8 Å²	121.8	78%	0.78	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-70.3	126.5	175.6	-174.3	176.7	5.7	0	0	110.2
89	A	87	Confident	78.8	Confident	87 Å²	87	122.8 Å²	122.8	72%	0.719	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-64.3	142.2	173.2	0	0	0	0	0	110.9	I87 P91	I87-A89 PolarHBondContact O-N 3.09Å; A89-P91 WeakPolarHBondContact O-CD 3.32Å
90	I	84.8	Confident	77	Confident	162 Å²	162	123.2 Å²	123.2	83%	0.831	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-67	118.7	-177.4	-58.6	174.5	0	0	0	109.3
91	P	78.8	Confident	75.4	Confident	89 Å²	89	127.5 Å²	127.5	58%	0.578	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-74.1	140.3	176.2	30.7	-33.7	0	0	0	110.8	A89 S93	A89-P91 WeakPolarHBondContact O-CD 3.32Å; P91-S93 PolarHBondContact O-N 3.35Å
92	V	72.3	Confident	74.2	Confident	129 Å²	129	126 Å²	126	78%	0.782	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-62.5	121	170.3	-178.5	0	0	0	0	108.3	T94	V92-T94 VanDerWaalsContact C-N 3.33Å; V92-T94 HydrophobicContact CG1-CG2 4.36Å; V92-T94 PolarHBondContact O-N 2.85Å
93	S	63.5	Low	73.5	Confident	80 Å²	80	126 Å²	126	56%	0.559	70%	0.702	S	S	*	*			trans	-79.6	75.7	-174.5	-67.2	0	0	0	0	112.3	P91 F95	P91-S93 PolarHBondContact O-N 3.35Å; S93-F95 PolarHBondContact O-N 3.1Å; S93-F95 VanDerWaalsContact O-N 3.08Å
94	T	60.4	Low	73	Confident	124 Å²	124	127 Å²	127	76%	0.761	70%	0.699	S	S	*	*			trans	-77.4	83.3	171.3	44.7	0	0	0	0	110.8	V92 S96	V92-T94 VanDerWaalsContact C-N 3.33Å; V92-T94 HydrophobicContact CG1-CG2 4.36Å; V92-T94 PolarHBondContact O-N 2.85Å; T94-S96 PolarHBondContact O-N 2.96Å; T94-S96 VanDerWaalsContact O-N 3.11Å
95	F	57	Low	72.6	Confident	142 Å²	142	122.5 Å²	122.5	62%	0.623	69%	0.686	S	S	*	*			trans	-69.4	106.3	177.1	-77.7	-80.7	0	0	0	112	S93 G97	S93-F95 PolarHBondContact O-N 3.1Å; S93-F95 VanDerWaalsContact O-N 3.08Å; F95-G97 PolarHBondContact O-N 3.47Å
96	S	53.9	Low	72.4	Confident	131 Å²	131	120.8 Å²	120.8	92%	0.916	69%	0.687	S	S	*	*			trans	-73.2	68.9	172.1	46.1	0	0	0	0	112.2	T94	T94-S96 PolarHBondContact O-N 2.96Å; T94-S96 VanDerWaalsContact O-N 3.11Å
97	G	52.9	Low	72.4	Confident	43 Å²	43	112.1 Å²	112.1	44%	0.443	66%	0.662	S	S	.	*			trans	-166.9	108.7	176.5	0	0	0	0	0	112.8	F95 L99	F95-G97 PolarHBondContact O-N 3.47Å; G97-L99 PolarHBondContact O-N 3.19Å; G97-L99 VanDerWaalsContact O-N 3.11Å
98	S	55.7	Low	72.3	Confident	128 Å²	128	113.8 Å²	113.8	90%	0.895	67%	0.667	S	S	*	*			trans	-66.4	106.9	172.6	-172.4	0	0	0	0	109.8
99	L	55.3	Low	72.2	Confident	121 Å²	121	109.2 Å²	109.2	63%	0.634	65%	0.645	S	S	*	*			trans	-126.4	103.8	172.1	-91.1	159.2	0	0	0	106.4	G97 N101	G97-L99 PolarHBondContact O-N 3.19Å; G97-L99 VanDerWaalsContact O-N 3.11Å; L99-N101 PolarHBondContact O-N 3.01Å
100	A	58.3	Low	72.1	Confident	99 Å²	99	109 Å²	109	82%	0.818	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-7.9	-162.9	0	0	0	0	0	116.4
101	N	63.5	Low	72.1	Confident	160 Å²	160	108.2 Å²	108.2	86%	0.856	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	17.3	-169	-63.4	-9.9	0	0	0	114.3	L99	L99-N101 PolarHBondContact O-N 3.01Å
102	K	69.1	Low	71.9	Confident	89 Å²	89	110.9 Å²	110.9	39%	0.387	66%	0.66	S	S	.	*			trans	-83.5	127.8	176.3	-69.9	-179	-179.3	172.5	0	111	P120	K102-P120 HydrophobicContact CD-CB 4.44Å
103	K	80.6	Confident	72.1	Confident	173 Å²	173	108 Å²	108	75%	0.752	66%	0.655	S	S	*	*			trans	-64	134	169.1	-70	-172.1	176.3	-174.5	0	109.6	M121	K103-M121 HydrophobicContact CB-SD 4.29Å; K103-M121 WeakPolarHBondContact O-CB 3.38Å; K103-M121 PolarHBondContact O-N 3.3Å
104	M	83.8	Confident	73.1	Confident	105 Å²	105	110.4 Å²	110.4	52%	0.517	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	139.2	178.1	-60.2	-64.6	-71.5	0	0	109.4	A118 P120	M104-A118 HydrophobicContact CE-CB 4.05Å; M104-P120 VanDerWaalsContact SD-CA 3.58Å; M104-P120 HydrophobicContact SD-CB 3.9Å
105	C	86.2	Confident	74.2	Confident	56 Å²	56	111.3 Å²	111.3	38%	0.378	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.2	122.3	166.1	177.1	0	0	0	0	107.7	A118 V119 M121	C105-A118 WeakPolarHBondContact O-CA 3.26Å; C105-V119 PolarHBondContact N-O 2.87Å; C105-V119 PolarHBondContact O-N 3.21Å; C105-M121 HydrophobicContact CB-CG 3.63Å; C105-M121 HydrophobicContact CB-SD 4.08Å
106	A	88.3	Confident	75.5	Confident	72 Å²	72	108 Å²	108	60%	0.595	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.7	134.9	171.9	0	0	0	0	0	109.4	Q117	A106-Q117 CarbonylContact C-O 3.53Å; A106-Q117 WeakPolarHBondContact CA-O 3.26Å
107	V	89.3	Confident	77	Confident	72 Å²	72	107 Å²	107	44%	0.436	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.6	117.3	173	-179	0	0	0	0	107.6	F109 S116 Q117	V107-F109 HydrophobicContact CG1-CE1 4.28Å; V107-F109 HydrophobicContact CG1-CE2 4.35Å; V107-F109 HydrophobicContact CG1-CZ 3.97Å; V107-S116 CarbonylContact O-C 3.57Å; V107-S116 WeakPolarHBondContact O-CA 3.43Å; V107-Q117 PolarHBondContact N-O 2.91Å; V107-Q117 PolarHBondContact O-N 3.11Å
108	E	89.3	Confident	78.5	Confident	161 Å²	161	108.1 Å²	108.1	75%	0.752	64%	0.637	S	S	*	*			trans	-94.3	146.4	176.1	-55	-167.7	152.7	0	0	110
109	F	86.4	Confident	79.9	Confident	70 Å²	70	106 Å²	106	31%	0.307	62%	0.618	S	S	.	*			trans	-115	125.8	-177.6	-62.6	-85.1	0	0	0	110	V107 F111 F114 N115 Q117	V107-F109 HydrophobicContact CG1-CE1 4.28Å; V107-F109 HydrophobicContact CG1-CE2 4.35Å; V107-F109 HydrophobicContact CG1-CZ 3.97Å; F109-F111 PolarHBondContact O-N 3.01Å; F109-F114 HydrophobicContact CB-CB 3.65Å; F109-F114 HydrophobicContact CD2-CB 4.12Å; F109-F114 HydrophobicContact CG-CB 3.89Å; F109-N115 WeakPolarHBondContact CD2-O 3.39Å; F109-Q117 HydrophobicContact CE2-CB 4.14Å; F109-Q117 HydrophobicContact CE2-CG 3.91Å; F109-Q117 HydrophobicContact CZ-CG 4.44Å; F109-Q117 VanDerWaalsContact CZ-NE2 3.3Å
110	G	84.3	Confident	81.2	Confident	83 Å²	83	102.4 Å²	102.4	86%	0.856	60%	0.602	S	S	*	*	S	Bend	trans	-71.2	12.6	175.2	0	0	0	0	0	115.1
111	F	86.3	Confident	82.5	Confident	146 Å²	146	102.7 Å²	102.7	64%	0.64	59%	0.588	S	S	*	*	S	Bend	trans	-102.5	124.7	-178.6	-64.1	-74.8	0	0	0	109.9	F109 G113 F114	F109-F111 PolarHBondContact O-N 3.01Å; F111-G113 PolarHBondContact O-N 3.12Å; F111-F114 HydrophobicContact CB-CD2 4.03Å; F111-F114 PolarHBondContact O-N 3.29Å; F111-F114 VanDerWaalsContact O-N 3.16Å
112	P	72.8	Confident	83.4	Confident	145 Å²	145	103.9 Å²	103.9	94%	0.942	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	18.7	-172.7	-26.2	35.4	0	0	0	118.8
113	G	77	Confident	84.1	Confident	67 Å²	67	105 Å²	105	69%	0.691	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.2	8.1	177.5	0	0	0	0	0	114.7	F111	F111-G113 PolarHBondContact O-N 3.12Å
114	F	83.8	Confident	84.5	Confident	131 Å²	131	104.5 Å²	104.5	58%	0.575	61%	0.607	S	S	*	*			trans	-107.6	116.3	176.8	-84	-96.8	0	0	0	110.7	F109 F111	F109-F114 HydrophobicContact CB-CB 3.65Å; F109-F114 HydrophobicContact CD2-CB 4.12Å; F109-F114 HydrophobicContact CG-CB 3.89Å; F111-F114 HydrophobicContact CB-CD2 4.03Å; F111-F114 PolarHBondContact O-N 3.29Å; F111-F114 VanDerWaalsContact O-N 3.16Å
115	N	83.7	Confident	84.9	Confident	143 Å²	143	104.5 Å²	104.5	77%	0.765	62%	0.617	S	S	*	*			trans	-67.8	142	173.9	-65.4	-24.5	0	0	0	110.8	F109 Q117	F109-N115 WeakPolarHBondContact CD2-O 3.39Å; N115-Q117 PolarHBondContact O-N 3.39Å
116	S	85.3	Confident	85.2	Confident	72 Å²	72	108.9 Å²	108.9	50%	0.503	64%	0.642	S	S	.	*			trans	-56.6	136.2	173.2	-51.7	0	0	0	0	111.2	V107	V107-S116 CarbonylContact O-C 3.57Å; V107-S116 WeakPolarHBondContact O-CA 3.43Å
117	Q	86.1	Confident	85.5	Confident	110 Å²	110	111.3 Å²	111.3	51%	0.514	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	135.4	-178.7	-72.4	178.4	62.1	0	0	110.4	A106 V107 F109 N115	A106-Q117 CarbonylContact C-O 3.53Å; A106-Q117 WeakPolarHBondContact CA-O 3.26Å; V107-Q117 PolarHBondContact N-O 2.91Å; V107-Q117 PolarHBondContact O-N 3.11Å; F109-Q117 HydrophobicContact CE2-CB 4.14Å; F109-Q117 HydrophobicContact CE2-CG 3.91Å; F109-Q117 HydrophobicContact CZ-CG 4.44Å; F109-Q117 VanDerWaalsContact CZ-NE2 3.3Å; N115-Q117 PolarHBondContact O-N 3.39Å
118	A	83.9	Confident	85.6	Confident	67 Å²	67	112.3 Å²	112.3	55%	0.554	67%	0.665	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.7	125.4	177.2	0	0	0	0	0	110.9	M104 C105	M104-A118 HydrophobicContact CE-CB 4.05Å; C105-A118 WeakPolarHBondContact O-CA 3.26Å
119	V	83.8	Confident	85.7	Confident	84 Å²	84	108.3 Å²	108.3	51%	0.509	67%	0.667	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.2	136.5	-177.4	-177.3	0	0	0	0	109.6	C105 M121	C105-V119 PolarHBondContact N-O 2.87Å; C105-V119 PolarHBondContact O-N 3.21Å; V119-M121 PolarHBondContact O-N 3.03Å
120	P	83.6	Confident	86	Confident	46 Å²	46	111.8 Å²	111.8	30%	0.299	69%	0.687	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-64.4	127	175.9	26.3	-34.7	0	0	0	111.1	K102 M104 K122	K102-P120 HydrophobicContact CD-CB 4.44Å; M104-P120 VanDerWaalsContact SD-CA 3.58Å; M104-P120 HydrophobicContact SD-CB 3.9Å; P120-K122 PolarHBondContact O-N 3.27Å
121	M	84.6	Confident	86.4	Confident	105 Å²	105	109.3 Å²	109.3	52%	0.517	66%	0.656	S	S	.	*			trans	-71.4	126.2	175.4	-62.1	-177.4	77.4	0	0	109.8	K103 C105 V119 P123	K103-M121 HydrophobicContact CB-SD 4.29Å; K103-M121 WeakPolarHBondContact O-CB 3.38Å; K103-M121 PolarHBondContact O-N 3.3Å; C105-M121 HydrophobicContact CB-CG 3.63Å; C105-M121 HydrophobicContact CB-SD 4.08Å; V119-M121 PolarHBondContact O-N 3.03Å; M121-P123 VanDerWaalsContact O-CD 3.31Å; M121-P123 WeakPolarHBondContact O-CD 3.33Å
122	K	82.8	Confident	86.6	Confident	184 Å²	184	109.6 Å²	109.6	80%	0.8	66%	0.657	S	S	*	*			trans	-85.6	110	167.3	-175.6	176.6	179.9	-178.7	0	108.3	P120 L124	P120-K122 PolarHBondContact O-N 3.27Å; K122-L124 PolarHBondContact O-N 3.11Å
123	P	84.6	Confident	87.5	Confident	114 Å²	114	106.9 Å²	106.9	74%	0.74	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-64.3	135.7	174	27.7	-33.6	0	0	0	109.6	M121	M121-P123 VanDerWaalsContact O-CD 3.31Å; M121-P123 WeakPolarHBondContact O-CD 3.33Å
124	L	89.7	Confident	88.2	Confident	162 Å²	162	110.8 Å²	110.8	85%	0.848	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-76.3	142.2	166.3	-61	179.1	0	0	0	108.6	K122	K122-L124 PolarHBondContact O-N 3.11Å
125	S	91.9	Very high	88.7	Confident	104 Å²	104	110.2 Å²	110.2	73%	0.727	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-64.2	136.4	174.6	49.8	0	0	0	0	110.6	V127	S125-V127 PolarHBondContact O-N 2.86Å
126	T	92.5	Very high	89.3	Confident	148 Å²	148	106.5 Å²	106.5	91%	0.908	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-56.3	123.6	176.1	-49.9	0	0	0	0	110.9
127	V	94.4	Very high	89.9	Confident	124 Å²	124	106.1 Å²	106.1	75%	0.752	61%	0.613	S	S	*	*			trans	-104.8	134.9	171.6	-179.7	0	0	0	0	107.7	S125 G129	S125-V127 PolarHBondContact O-N 2.86Å; V127-G129 PolarHBondContact O-N 2.9Å
128	A	91.6	Very high	90.5	Very high	93 Å²	93	105.8 Å²	105.8	77%	0.769	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-66.2	122.3	175.7	0	0	0	0	0	110.2
129	G	89.8	Confident	91.1	Very high	77 Å²	77	103.6 Å²	103.6	79%	0.794	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-71.3	147.9	170.9	0	0	0	0	0	111.2	V127	V127-G129 PolarHBondContact O-N 2.9Å
130	I	93.3	Very high	91.5	Very high	142 Å²	142	104.8 Å²	104.8	73%	0.728	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-92.2	152.1	168	59.5	173.7	0	0	0	109.9	W648	I130-W648 HydrophobicContact CB-CZ2 4.16Å
131	P	92.8	Very high	92	Very high	32 Å²	32	106.9 Å²	106.9	21%	0.208	61%	0.605	C	S	.	*	P	Polyproline II helix	trans	-60.9	148	173.8	-16.8	28.1	0	0	0	111.6	P642 G647 W648	P131-P642 HydrophobicContact CG-CB 3.96Å; P131-P642 HydrophobicContact CG-CG 4.14Å; P131-G647 WeakPolarHBondContact CG-O 3.43Å; P131-W648 HydrophobicContact CB-CD2 4.4Å; P131-W648 HydrophobicContact CB-CG 4.34Å; P131-W648 HydrophobicContact CG-CD2 4.38Å; P131-W648 HydrophobicContact CG-CZ2 4.4Å; P131-W648 PolarHBondContact O-NE1 3.39Å
132	F	89.9	Confident	92.6	Very high	151 Å²	151	102.4 Å²	102.4	66%	0.662	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-65.1	143.2	-175.9	-172.6	-88.8	0	0	0	112.2	Y134 W648	F132-Y134 HydrophobicContact CD1-CE2 4.48Å; F132-Y134 AromaticContact CE1-CD1 3.82Å; F132-Y134 HydrophobicContact CE1-CD1 3.82Å; F132-Y134 AromaticContact CE1-CD2 3.77Å; F132-Y134 HydrophobicContact CE1-CD2 3.77Å; F132-Y134 AromaticContact CE1-CE1 3.62Å; F132-Y134 HydrophobicContact CE1-CE1 3.62Å; F132-Y134 AromaticContact CE1-CE2 3.56Å; F132-Y134 HydrophobicContact CE1-CE2 3.56Å; F132-Y134 AromaticContact CE1-CG 3.89Å; F132-Y134 HydrophobicContact CE1-CG 3.89Å; F132-Y134 AromaticContact CE1-CZ 3.47Å; F132-Y134 VanDerWaalsContact CE1-CZ 3.47Å; F132-Y134 AromaticContact CZ-CD1 3.92Å; F132-Y134 HydrophobicContact CZ-CD1 3.92Å; F132-Y134 AromaticContact CZ-CE1 3.56Å; F132-Y134 HydrophobicContact CZ-CE1 3.56Å; F132-Y134 HydrophobicContact CZ-CE2 4.33Å; F132-Y134 HydrophobicContact CZ-CG 4.44Å; F132-Y134 AromaticContact CZ-CZ 3.77Å; F132-W648 PolarHBondContact O-NE1 2.91Å
133	M	92	Very high	93.3	Very high	89 Å²	89	96.1 Å²	96.1	44%	0.438	56%	0.556	S	S	.	*			trans	-154	121.9	177.6	176.4	171.7	60.8	0	0	110.8	F710	M133-F710 HydrophobicContact SD-CE1 4.33Å; M133-F710 HydrophobicContact SD-CZ 3.99Å
134	Y	91.6	Very high	93.8	Very high	148 Å²	148	92 Å²	92	58%	0.58	53%	0.527	S	S	*	.			trans	-70.9	153.3	165.5	-65.9	-67.8	0	0	0	111.2	F132	F132-Y134 HydrophobicContact CD1-CE2 4.48Å; F132-Y134 AromaticContact CE1-CD1 3.82Å; F132-Y134 HydrophobicContact CE1-CD1 3.82Å; F132-Y134 AromaticContact CE1-CD2 3.77Å; F132-Y134 HydrophobicContact CE1-CD2 3.77Å; F132-Y134 AromaticContact CE1-CE1 3.62Å; F132-Y134 HydrophobicContact CE1-CE1 3.62Å; F132-Y134 AromaticContact CE1-CE2 3.56Å; F132-Y134 HydrophobicContact CE1-CE2 3.56Å; F132-Y134 AromaticContact CE1-CG 3.89Å; F132-Y134 HydrophobicContact CE1-CG 3.89Å; F132-Y134 AromaticContact CE1-CZ 3.47Å; F132-Y134 VanDerWaalsContact CE1-CZ 3.47Å; F132-Y134 AromaticContact CZ-CD1 3.92Å; F132-Y134 HydrophobicContact CZ-CD1 3.92Å; F132-Y134 AromaticContact CZ-CE1 3.56Å; F132-Y134 HydrophobicContact CZ-CE1 3.56Å; F132-Y134 HydrophobicContact CZ-CE2 4.33Å; F132-Y134 HydrophobicContact CZ-CG 4.44Å; F132-Y134 AromaticContact CZ-CZ 3.77Å
135	S	95.4	Very high	94	Very high	120 Å²	120	85.6 Å²	85.6	84%	0.839	50%	0.495	S	S	*	.			trans	-65.8	140.5	173.9	52.1	0	0	0	0	111.5
136	W	96.4	Very high	93.9	Very high	64 Å²	64	88.5 Å²	88.5	24%	0.242	50%	0.497	C	S	.	.			trans	-144.9	151.6	179.4	61.3	-82.2	0	0	0	111.3	P138 R703 G705 R709 F710	W136-P138 HydrophobicContact CZ3-CB 4.17Å; W136-R703 VanDerWaalsContact CA-O 3.29Å; W136-R703 WeakPolarHBondContact CA-O 3.25Å; W136-G705 WeakPolarHBondContact CZ3-O 3.45Å; W136-R709 VanDerWaalsContact CG-NH1 3.33Å; W136-F710 AromaticContact CE2-CZ 3.95Å; W136-F710 HydrophobicContact CH2-CE2 4.41Å; W136-F710 AromaticContact CZ2-CE2 3.68Å; W136-F710 HydrophobicContact CZ2-CE2 3.68Å; W136-F710 HydrophobicContact CZ2-CZ 4.08Å; W136-F710 AromaticContact NE1-CZ 3.65Å
137	S	98.1	Very high	93.7	Very high	64 Å²	64	84.2 Å²	84.2	45%	0.448	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.8	-179.6	-65.8	0	0	0	0	112.2	R703 K704 G705	S137-R703 PolarHBondContact N-O 3.4Å; S137-K704 CarbonylContact O-C 3.45Å; S137-K704 VanDerWaalsContact O-CA 3.3Å; S137-K704 WeakPolarHBondContact O-CA 3.42Å; S137-G705 PolarHBondContact O-N 3.34Å
138	P	97.4	Very high	93.1	Very high	103 Å²	103	80.3 Å²	80.3	67%	0.669	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.2	-179.5	30.1	-34.6	0	0	0	113	W136 G705	W136-P138 HydrophobicContact CZ3-CB 4.17Å; P138-G705 CarbonylContact C-O 3.51Å; P138-G705 WeakPolarHBondContact CA-O 3.45Å
139	L	95.9	Very high	92.3	Very high	21 Å²	21	79.3 Å²	79.3	11%	0.11	43%	0.426	C	S	.	.			trans	-115.1	151.5	177.8	-69	-178.8	0	0	0	111.9	F143 C666 G667 K704 G705 N706	L139-F143 HydrophobicContact CD1-CB 4.21Å; L139-F143 HydrophobicContact CD2-CB 4.25Å; L139-C666 HydrophobicContact CB-CB 4.14Å; L139-G667 WeakPolarHBondContact CD1-O 3.41Å; L139-K704 HydrophobicContact CD1-CB 3.61Å; L139-K704 HydrophobicContact CD2-CB 4.34Å; L139-K704 HydrophobicContact CD2-CD 4.43Å; L139-K704 HydrophobicContact CG-CB 3.86Å; L139-G705 PolarHBondContact N-O 2.83Å; L139-N706 WeakPolarHBondContact O-CB 3.47Å
140	Q	93.9	Very high	91.6	Very high	110 Å²	110	78.9 Å²	78.9	51%	0.514	40%	0.403	S	S	.	.	S	Bend	trans	-109.1	-20.5	166.8	-59.4	-54.8	-56.4	0	0	112.5
141	H	93.9	Very high	90.6	Very high	89 Å²	89	72.6 Å²	72.6	41%	0.412	37%	0.37	S	S	.	.	S	Bend	trans	-143.1	161.3	177.8	-59.1	-36	0	0	0	108.2	R731	H141-R731 PolarHBondContact ND1-NH1 3.1Å
142	N	96.6	Very high	89.8	Confident	11 Å²	11	76.7 Å²	76.7	6%	0.059	39%	0.387	C	S	.	.			trans	-59.8	152.9	174.3	-68.6	-10.6	0	0	0	112.4	L346 C666 G667 L669 V699	N142-L346 HydrophobicContact CB-CD1 4.1Å; N142-C666 VanDerWaalsContact OD1-CA 3.26Å; N142-C666 WeakPolarHBondContact OD1-CA 3.24Å; N142-G667 VanDerWaalsContact CA-O 3.26Å; N142-G667 WeakPolarHBondContact CA-O 3.46Å; N142-G667 PolarHBondContact OD1-N 3.41Å; N142-G667 VanDerWaalsContact OD1-N 3.07Å; N142-L669 HydrophobicContact CB-CB 4.45Å; N142-V699 WeakPolarHBondContact ND2-CG2 3.34Å
143	F	96.6	Very high	89.2	Confident	53 Å²	53	75.2 Å²	75.2	23%	0.232	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	110.5	-177.6	-173.2	-77.2	0	0	0	109.2	L139 V145 F345 G667 E668 L669 K704	L139-F143 HydrophobicContact CD1-CB 4.21Å; L139-F143 HydrophobicContact CD2-CB 4.25Å; F143-V145 HydrophobicContact CD1-CG2 3.69Å; F143-V145 HydrophobicContact CE1-CG2 4.05Å; F143-F345 CarbonylContact C-O 3.54Å; F143-F345 WeakPolarHBondContact CA-O 3.47Å; F143-F345 HydrophobicContact CD2-CB 3.69Å; F143-F345 HydrophobicContact CD2-CD1 4.48Å; F143-F345 HydrophobicContact CD2-CG 4.01Å; F143-F345 HydrophobicContact CE2-CB 3.59Å; F143-F345 AromaticContact CE2-CD1 3.53Å; F143-F345 HydrophobicContact CE2-CD1 3.53Å; F143-F345 HydrophobicContact CE2-CD2 4.04Å; F143-F345 HydrophobicContact CE2-CE1 4.18Å; F143-F345 AromaticContact CE2-CG 3.45Å; F143-F345 HydrophobicContact CE2-CG 3.45Å; F143-F345 VanDerWaalsContact CE2-CG 3.45Å; F143-F345 HydrophobicContact CG-CB 4.33Å; F143-F345 HydrophobicContact CZ-CB 4.15Å; F143-F345 AromaticContact CZ-CD1 3.67Å; F143-F345 HydrophobicContact CZ-CD1 3.67Å; F143-F345 HydrophobicContact CZ-CE1 4.31Å; F143-F345 HydrophobicContact CZ-CG 4.04Å; F143-G667 PolarHBondContact N-O 2.88Å; F143-E668 CarbonylContact O-C 3.6Å; F143-E668 VanDerWaalsContact O-CA 3.26Å; F143-E668 WeakPolarHBondContact O-CA 3.33Å; F143-L669 PolarHBondContact O-N 3.42Å; F143-K704 HydrophobicContact CG-CD 4.46Å
144	M	95.3	Very high	88.5	Confident	27 Å²	27	74.1 Å²	74.1	13%	0.133	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	133.8	176.5	-170.8	65.7	84.7	0	0	110.6	F345 P348 L669 F697	M144-F345 PolarHBondContact N-O 3.16Å; M144-P348 HydrophobicContact CE-CG 4Å; M144-P348 HydrophobicContact CG-CG 4.49Å; M144-L669 WeakPolarHBondContact CA-O 3.31Å; M144-L669 HydrophobicContact CE-CD2 3.51Å; M144-L669 HydrophobicContact CE-CG 4.07Å; M144-L669 HydrophobicContact SD-CB 4.17Å; M144-L669 HydrophobicContact SD-CD2 4.05Å; M144-L669 HydrophobicContact SD-CG 4Å; M144-F697 HydrophobicContact CE-CD1 4.01Å; M144-F697 HydrophobicContact CE-CE1 3.44Å; M144-F697 VanDerWaalsContact CE-CE1 3.44Å; M144-F697 HydrophobicContact CE-CE2 4.46Å; M144-F697 HydrophobicContact CE-CZ 3.71Å; M144-F697 HydrophobicContact SD-CD1 4.06Å; M144-F697 HydrophobicContact SD-CE1 3.64Å; M144-F697 HydrophobicContact SD-CZ 4.46Å
145	V	94.6	Very high	87.8	Confident	27 Å²	27	68 Å²	68	16%	0.164	36%	0.359	C	S	.	.			trans	-128.8	134.7	175	-178.4	0	0	0	0	107.9	F143 E668 L669 I670	F143-V145 HydrophobicContact CD1-CG2 3.69Å; F143-V145 HydrophobicContact CE1-CG2 4.05Å; V145-E668 HydrophobicContact CG2-CB 3.91Å; V145-E668 HydrophobicContact CG2-CG 4.02Å; V145-L669 PolarHBondContact N-O 3.03Å; V145-I670 HydrophobicContact CB-CG2 4.14Å
146	E	89.7	Confident	87.1	Confident	165 Å²	165	69.4 Å²	69.4	77%	0.771	35%	0.347	S	S	*	.			trans	-78.2	150.9	174	-62.7	-179.4	165.2	0	0	110.6
147	D	88.4	Confident	85.9	Confident	59 Å²	59	68 Å²	68	32%	0.316	34%	0.344	S	S	.	.			trans	-61.9	133.8	-175.9	-70.7	39	0	0	0	113	T149 S671 E674 R677	D147-T149 PolarHBondContact O-N 3.49Å; D147-S671 VanDerWaalsContact CG-OG 3.22Å; D147-S671 WeakPolarHBondContact OD1-CB 3.02Å; D147-S671 PolarHBondContact OD1-OG 2.97Å; D147-S671 VanDerWaalsContact OD1-OG 3.14Å; D147-S671 PolarHBondContact OD2-OG 2.98Å; D147-E674 WeakPolarHBondContact CA-OE2 3.28Å; D147-E674 HydrophobicContact CB-CB 4.5Å; D147-R677 IonicContact OD2-CZ 2.76Å; D147-R677 IonicContact OD2-NH2 3.54Å; D147-R677 PolarHBondContact OD2-NH2 3.46Å
148	E	81.6	Confident	84.7	Confident	41 Å²	41	66 Å²	66	19%	0.192	33%	0.334	C	S	.	.			trans	-82.5	99	175.9	-69.8	178.6	-149.1	0	0	109.7	Y176 E674 R677 R678 R703	E148-Y176 HydrophobicContact CB-CE1 4.46Å; E148-Y176 VanDerWaalsContact O-CD1 3.27Å; E148-Y176 WeakPolarHBondContact O-CD1 3.48Å; E148-Y176 WeakPolarHBondContact O-CE1 3.44Å; E148-E674 PolarHBondContact N-OE2 2.73Å; E148-R677 PolarHBondContact O-NH1 2.91Å; E148-R678 IonicContact OE1-NH2 2.98Å; E148-R703 IonicContact OE1-CZ 3.67Å; E148-R703 VanDerWaalsContact OE1-CZ 3.26Å; E148-R703 IonicContact OE1-NH1 3.56Å; E148-R703 PolarHBondContact OE1-NH1 3.34Å; E148-R703 IonicContact OE1-NH2 3.96Å; E148-R703 PolarHBondContact OE1-NH2 3.02Å; E148-R703 IonicContact OE2-NH2 3.68Å; E148-R703 PolarHBondContact OE2-NH2 3.27Å
149	T	76.1	Confident	83.6	Confident	72 Å²	72	65.9 Å²	65.9	44%	0.442	33%	0.327	S	S	.	.			trans	-73.8	-23.8	180	59.3	0	0	0	0	114	D147 D177	D147-T149 PolarHBondContact O-N 3.49Å; T149-D177 PolarHBondContact O-N 2.82Å
150	F	73.1	Confident	82.4	Confident	69 Å²	69	72.2 Å²	72.2	30%	0.303	36%	0.356	S	S	.	.	S	Bend	trans	-119.1	137.3	177.6	-65.3	-80	0	0	0	111.3	H152 D177	F150-H152 PolarHBondContact O-N 3.27Å; F150-H152 PolarHBondContact O-ND1 3.4Å; F150-D177 HydrophobicContact CD1-CB 4.1Å; F150-D177 HydrophobicContact CE1-CB 3.61Å; F150-D177 WeakPolarHBondContact CE1-O 3.17Å; F150-D177 HydrophobicContact CZ-CB 3.9Å
151	L	73.6	Confident	81.1	Confident	9 Å²	9	69 Å²	69	5%	0.047	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-78.6	112.7	177.3	-173.8	63.9	0	0	0	110.2	N153 I154 L172 Y176 G178 H180	L151-N153 WeakPolarHBondContact CD1-O 3.43Å; L151-N153 WeakPolarHBondContact CG-O 3.45Å; L151-I154 HydrophobicContact CD2-CG1 4.29Å; L151-L172 HydrophobicContact CD2-CD2 4.38Å; L151-L172 HydrophobicContact CD2-CG 4.32Å; L151-Y176 HydrophobicContact CB-CD1 4.12Å; L151-Y176 HydrophobicContact CB-CD2 4.11Å; L151-Y176 HydrophobicContact CB-CE1 4.41Å; L151-Y176 HydrophobicContact CB-CE2 4.42Å; L151-Y176 HydrophobicContact CB-CG 3.95Å; L151-Y176 HydrophobicContact CD1-CE1 4.41Å; L151-Y176 HydrophobicContact CD1-CE2 4.09Å; L151-G178 PolarHBondContact N-O 3.13Å; L151-G178 VanDerWaalsContact N-O 3.11Å; L151-H180 PolarHBondContact O-N 2.84Å
152	H	74.8	Confident	79.8	Confident	118 Å²	118	67.5 Å²	67.5	55%	0.546	34%	0.339	S	S	.	.	S	Bend	trans	-77.9	-20.9	-176.7	-68.5	93.9	0	0	0	114.5	F150	F150-H152 PolarHBondContact O-N 3.27Å; F150-H152 PolarHBondContact O-ND1 3.4Å
153	N	78.8	Confident	78.3	Confident	121 Å²	121	74.9 Å²	74.9	65%	0.647	37%	0.373	S	S	*	.			trans	-155.1	133.5	-178.8	-175.2	34.1	0	0	0	109.9	L151 P155	L151-N153 WeakPolarHBondContact CD1-O 3.43Å; L151-N153 WeakPolarHBondContact CG-O 3.45Å; N153-P155 WeakPolarHBondContact O-CD 3.49Å
154	I	77.4	Confident	77	Confident	66 Å²	66	80.2 Å²	80.2	34%	0.338	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-80	121.8	171.4	-61.9	177.6	0	0	0	107.5	L151 Y156 L169 V179	L151-I154 HydrophobicContact CD2-CG1 4.29Å; I154-Y156 PolarHBondContact O-N 3.48Å; I154-L169 HydrophobicContact CG2-CD1 3.66Å; I154-V179 HydrophobicContact CD1-CG1 4.27Å; I154-V179 HydrophobicContact CG1-CG1 4.14Å
155	P	76.8	Confident	75.8	Confident	19 Å²	19	81.5 Å²	81.5	12%	0.123	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-63	122.4	179.1	-20.2	32.3	0	0	0	111.1	N153 I681 Y685	N153-P155 WeakPolarHBondContact O-CD 3.49Å; P155-I681 HydrophobicContact CG-CD1 4.27Å; P155-I681 HydrophobicContact CG-CG2 4.09Å; P155-Y685 HydrophobicContact CB-CE2 4.38Å; P155-Y685 WeakPolarHBondContact CB-OH 3.09Å
156	Y	79.6	Confident	74.8	Confident	149 Å²	149	87.5 Å²	87.5	58%	0.584	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-76.1	126.9	170.7	-176.9	-103.3	0	0	0	109.8	I154 D159 L162 Y685	I154-Y156 PolarHBondContact O-N 3.48Å; Y156-D159 WeakPolarHBondContact CE2-OD1 3.31Å; Y156-D159 VanDerWaalsContact CZ-OD1 3.3Å; Y156-D159 PolarHBondContact OH-N 2.86Å; Y156-D159 PolarHBondContact OH-OD1 2.91Å; Y156-L162 HydrophobicContact CD2-CD1 4.29Å; Y156-L162 HydrophobicContact CE2-CD1 4.16Å; Y156-Y685 PolarHBondContact O-OH 3.39Å
157	M	71	Confident	74.3	Confident	36 Å²	36	82.8 Å²	82.8	18%	0.177	42%	0.422	C	S	.	.			trans	-121.3	8.7	-173.8	-61.1	176.1	-66.8	0	0	113.1	V161 L162 F168 K684	M157-V161 HydrophobicContact CB-CB 4.24Å; M157-V161 HydrophobicContact CB-CG1 4.08Å; M157-V161 WeakPolarHBondContact O-CG2 3.24Å; M157-L162 HydrophobicContact CE-CD2 4.36Å; M157-F168 HydrophobicContact CE-CD1 3.89Å; M157-F168 HydrophobicContact CE-CE1 3.65Å; M157-F168 HydrophobicContact SD-CE1 3.88Å; M157-K684 HydrophobicContact SD-CB 4.42Å; M157-K684 HydrophobicContact SD-CG 3.6Å; M157-K684 VanDerWaalsContact SD-CG 3.6Å
158	G	73.3	Confident	73.9	Confident	22 Å²	22	81.2 Å²	81.2	23%	0.227	41%	0.412	C	S	.	.			trans	93.8	141.4	-171.3	0	0	0	0	0	111.9	E160 V161 L162	G158-E160 VanDerWaalsContact C-N 3.26Å; G158-E160 PolarHBondContact O-N 3.27Å; G158-V161 PolarHBondContact O-N 2.87Å; G158-V161 VanDerWaalsContact O-N 3.1Å; G158-L162 PolarHBondContact O-N 3.07Å
159	D	75.3	Confident	73.7	Confident	100 Å²	100	81.5 Å²	81.5	54%	0.535	42%	0.415	S	S	.	.	H	α-helix	trans	-59.2	-40.2	-178.3	-57.7	-18.5	0	0	0	111.1	Y156 V161 L162 E163	Y156-D159 WeakPolarHBondContact CE2-OD1 3.31Å; Y156-D159 VanDerWaalsContact CZ-OD1 3.3Å; Y156-D159 PolarHBondContact OH-N 2.86Å; Y156-D159 PolarHBondContact OH-OD1 2.91Å; D159-V161 PolarHBondContact O-N 3.01Å; D159-V161 VanDerWaalsContact O-N 3.17Å; D159-L162 PolarHBondContact O-N 3.11Å; D159-L162 VanDerWaalsContact O-N 3.13Å; D159-E163 PolarHBondContact O-N 2.95Å; D159-E163 VanDerWaalsContact O-N 3.07Å
160	E	71.4	Confident	73.9	Confident	153 Å²	153	84.5 Å²	84.5	72%	0.715	42%	0.423	S	S	*	.	H	α-helix	trans	-58.2	-28	176.9	-59.6	177.8	-174.1	0	0	114.1	G158 Q164	G158-E160 VanDerWaalsContact C-N 3.26Å; G158-E160 PolarHBondContact O-N 3.27Å; E160-Q164 VanDerWaalsContact O-CG 3.3Å; E160-Q164 WeakPolarHBondContact O-CG 3.37Å; E160-Q164 PolarHBondContact O-NE2 2.78Å
161	V	66.6	Low	74.3	Confident	43 Å²	43	85.5 Å²	85.5	26%	0.261	43%	0.429	S	S	.	.	H	α-helix	trans	-87.5	-33.5	179.3	179.4	0	0	0	0	111	M157 G158 D159 Q164 D165	M157-V161 HydrophobicContact CB-CB 4.24Å; M157-V161 HydrophobicContact CB-CG1 4.08Å; M157-V161 WeakPolarHBondContact O-CG2 3.24Å; G158-V161 PolarHBondContact O-N 2.87Å; G158-V161 VanDerWaalsContact O-N 3.1Å; D159-V161 PolarHBondContact O-N 3.01Å; D159-V161 VanDerWaalsContact O-N 3.17Å; V161-Q164 PolarHBondContact O-N 2.79Å; V161-D165 PolarHBondContact O-N 2.95Å
162	L	65.3	Low	74.6	Confident	58 Å²	58	85.2 Å²	85.2	30%	0.304	43%	0.427	S	S	.	.	H	α-helix	trans	-66.7	-38	176.1	-67.1	169.2	0	0	0	111.3	Y156 M157 G158 D159 Q164	Y156-L162 HydrophobicContact CD2-CD1 4.29Å; Y156-L162 HydrophobicContact CE2-CD1 4.16Å; M157-L162 HydrophobicContact CE-CD2 4.36Å; G158-L162 PolarHBondContact O-N 3.07Å; D159-L162 PolarHBondContact O-N 3.11Å; D159-L162 VanDerWaalsContact O-N 3.13Å; L162-Q164 VanDerWaalsContact C-N 3.27Å; L162-Q164 PolarHBondContact O-N 3.36Å
163	E	66.1	Low	74.8	Confident	165 Å²	165	82.4 Å²	82.4	77%	0.771	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.4	176.5	-69.8	-178.2	177.1	0	0	114.3	D159	D159-E163 PolarHBondContact O-N 2.95Å; D159-E163 VanDerWaalsContact O-N 3.07Å
164	Q	68.1	Low	74.9	Confident	165 Å²	165	82.8 Å²	82.8	77%	0.771	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-19.3	-174.8	-70.8	177.5	28.7	0	0	114.4	E160 V161 L162	E160-Q164 VanDerWaalsContact O-CG 3.3Å; E160-Q164 WeakPolarHBondContact O-CG 3.37Å; E160-Q164 PolarHBondContact O-NE2 2.78Å; V161-Q164 PolarHBondContact O-N 2.79Å; L162-Q164 VanDerWaalsContact C-N 3.27Å; L162-Q164 PolarHBondContact O-N 3.36Å
165	D	71.5	Confident	74.9	Confident	55 Å²	55	82.2 Å²	82.2	29%	0.294	42%	0.416	S	S	.	.			trans	-145	51.8	-165.4	-158.4	0.1	0	0	0	112.2	V161 A167 F168 K684	V161-D165 PolarHBondContact O-N 2.95Å; D165-A167 PolarHBondContact O-N 3.44Å; D165-F168 HydrophobicContact CB-CB 4.37Å; D165-F168 VanDerWaalsContact CG-CB 3.45Å; D165-F168 PolarHBondContact O-N 2.86Å; D165-F168 WeakPolarHBondContact OD1-CB 3.39Å; D165-F168 PolarHBondContact OD1-N 3.28Å; D165-K684 IonicContact OD2-NZ 2.69Å; D165-K684 PolarHBondContact OD2-NZ 2.95Å
166	E	73.3	Confident	75	Confident	153 Å²	153	82.3 Å²	82.3	72%	0.715	41%	0.414	S	S	*	.	H	α-helix	trans	-56.8	-34.9	174.8	-66.5	-172.4	148.4	0	0	111.9	F168 L169 E170	E166-F168 VanDerWaalsContact C-N 3.33Å; E166-F168 PolarHBondContact O-N 2.89Å; E166-L169 WeakPolarHBondContact O-CB 3.37Å; E166-L169 PolarHBondContact O-N 2.86Å; E166-E170 PolarHBondContact O-N 3.45Å
167	A	79.6	Confident	74.5	Confident	66 Å²	66	81.2 Å²	81.2	55%	0.545	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-36.4	178.7	0	0	0	0	0	112.9	D165 L169 E171	D165-A167 PolarHBondContact O-N 3.44Å; A167-L169 VanDerWaalsContact C-N 3.31Å; A167-L169 PolarHBondContact O-N 3.46Å; A167-E171 WeakPolarHBondContact O-CB 3.37Å; A167-E171 PolarHBondContact O-N 3.38Å
168	F	79.5	Confident	74.4	Confident	26 Å²	26	80.6 Å²	80.6	11%	0.114	42%	0.421	C	S	.	.	H	α-helix	trans	-63.7	-36.5	172.1	170.7	-92.5	0	0	0	112.1	M157 D165 E166 L172 R680 K684	M157-F168 HydrophobicContact CE-CD1 3.89Å; M157-F168 HydrophobicContact CE-CE1 3.65Å; M157-F168 HydrophobicContact SD-CE1 3.88Å; D165-F168 HydrophobicContact CB-CB 4.37Å; D165-F168 VanDerWaalsContact CG-CB 3.45Å; D165-F168 PolarHBondContact O-N 2.86Å; D165-F168 WeakPolarHBondContact OD1-CB 3.39Å; D165-F168 PolarHBondContact OD1-N 3.28Å; E166-F168 VanDerWaalsContact C-N 3.33Å; E166-F168 PolarHBondContact O-N 2.89Å; F168-L172 HydrophobicContact CE1-CD2 4.12Å; F168-L172 HydrophobicContact CZ-CD2 4.44Å; F168-L172 WeakPolarHBondContact O-CB 3.45Å; F168-L172 PolarHBondContact O-N 2.88Å; F168-R680 HydrophobicContact CE2-CB 4.39Å; F168-K684 HydrophobicContact CE1-CG 4.49Å; F168-K684 HydrophobicContact CE2-CB 4.35Å; F168-K684 HydrophobicContact CZ-CB 4.12Å; F168-K684 HydrophobicContact CZ-CG 4.36Å
169	L	77.9	Confident	74.2	Confident	47 Å²	47	80.8 Å²	80.8	25%	0.246	42%	0.418	C	S	.	.	H	α-helix	trans	-72.9	-38.8	179.8	-175	61.9	0	0	0	111.7	I154 E166 A167 L172 I173	I154-L169 HydrophobicContact CG2-CD1 3.66Å; E166-L169 WeakPolarHBondContact O-CB 3.37Å; E166-L169 PolarHBondContact O-N 2.86Å; A167-L169 VanDerWaalsContact C-N 3.31Å; A167-L169 PolarHBondContact O-N 3.46Å; L169-L172 PolarHBondContact O-N 3.26Å; L169-I173 HydrophobicContact CD1-CD1 4.44Å; L169-I173 HydrophobicContact CG-CD1 4.28Å; L169-I173 VanDerWaalsContact O-CG1 3.3Å; L169-I173 WeakPolarHBondContact O-CG1 3.23Å; L169-I173 PolarHBondContact O-N 3.27Å; L169-I173 VanDerWaalsContact O-N 3.08Å
170	E	80.2	Confident	73.7	Confident	134 Å²	134	82.2 Å²	82.2	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-62.1	-50.4	171.6	-170.9	172.3	-151.9	0	0	110.7	E166 L172 I173 D174	E166-E170 PolarHBondContact O-N 3.45Å; E170-L172 VanDerWaalsContact C-N 3.33Å; E170-L172 PolarHBondContact O-N 2.57Å; E170-I173 PolarHBondContact O-N 2.84Å; E170-I173 VanDerWaalsContact O-N 3.13Å; E170-D174 PolarHBondContact O-N 3.19Å
171	E	80.6	Confident	73.2	Confident	90 Å²	90	78 Å²	78	42%	0.421	42%	0.418	S	S	.	.	H	α-helix	trans	-57.9	-45.9	175.4	-159.3	-150.7	135.1	0	0	110.9	A167 I173 D174 N175 R680	A167-E171 WeakPolarHBondContact O-CB 3.37Å; A167-E171 PolarHBondContact O-N 3.38Å; E171-I173 PolarHBondContact O-N 2.99Å; E171-D174 PolarHBondContact O-N 3.43Å; E171-N175 PolarHBondContact O-N 3.22Å; E171-N175 PolarHBondContact O-ND2 2.72Å; E171-N175 PolarHBondContact OE1-ND2 2.97Å; E171-R680 WeakPolarHBondContact OE1-CD 2.93Å; E171-R680 IonicContact OE1-CZ 3.59Å; E171-R680 IonicContact OE1-NE 2.72Å; E171-R680 IonicContact OE1-NH1 3.78Å; E171-R680 PolarHBondContact OE1-NH1 2.81Å
172	L	80	Confident	72.6	Confident	3 Å²	3	82.6 Å²	82.6	2%	0.016	44%	0.441	C	S	.	.	H	α-helix	trans	-58.4	-37.5	179.4	-179.3	63.6	0	0	0	112	L151 F168 L169 E170 Y176 I681	L151-L172 HydrophobicContact CD2-CD2 4.38Å; L151-L172 HydrophobicContact CD2-CG 4.32Å; F168-L172 HydrophobicContact CE1-CD2 4.12Å; F168-L172 HydrophobicContact CZ-CD2 4.44Å; F168-L172 WeakPolarHBondContact O-CB 3.45Å; F168-L172 PolarHBondContact O-N 2.88Å; L169-L172 PolarHBondContact O-N 3.26Å; E170-L172 VanDerWaalsContact C-N 3.33Å; E170-L172 PolarHBondContact O-N 2.57Å; L172-Y176 HydrophobicContact CD1-CE2 4.24Å; L172-Y176 VanDerWaalsContact O-CD2 3.3Å; L172-Y176 WeakPolarHBondContact O-CD2 3.38Å; L172-I681 HydrophobicContact CD1-CD1 4.06Å; L172-I681 HydrophobicContact CD1-CG1 3.8Å
173	I	78.9	Confident	72.3	Confident	60 Å²	60	84.8 Å²	84.8	31%	0.308	45%	0.445	S	S	.	.	H	α-helix	trans	-73.1	-44.5	177.4	-68.3	166.5	0	0	0	110.9	L169 E170 E171 N175 Y176 V179	L169-I173 HydrophobicContact CD1-CD1 4.44Å; L169-I173 HydrophobicContact CG-CD1 4.28Å; L169-I173 VanDerWaalsContact O-CG1 3.3Å; L169-I173 WeakPolarHBondContact O-CG1 3.23Å; L169-I173 PolarHBondContact O-N 3.27Å; L169-I173 VanDerWaalsContact O-N 3.08Å; E170-I173 PolarHBondContact O-N 2.84Å; E170-I173 VanDerWaalsContact O-N 3.13Å; E171-I173 PolarHBondContact O-N 2.99Å; I173-N175 PolarHBondContact O-N 2.73Å; I173-N175 VanDerWaalsContact O-N 3.11Å; I173-Y176 PolarHBondContact O-N 3.2Å; I173-Y176 VanDerWaalsContact O-O 3.09Å; I173-V179 HydrophobicContact CD1-CG2 4.46Å; I173-V179 HydrophobicContact CG1-CG2 4.02Å; I173-V179 HydrophobicContact CG2-CG2 4.33Å
174	D	80.3	Confident	71.7	Confident	128 Å²	128	86.6 Å²	86.6	68%	0.684	45%	0.454	S	S	*	.	H	α-helix	trans	-59.9	-21.6	-179.9	-88.8	-1.3	0	0	0	114.1	E170 E171 Y176	E170-D174 PolarHBondContact O-N 3.19Å; E171-D174 PolarHBondContact O-N 3.43Å; D174-Y176 VanDerWaalsContact C-N 3.32Å
175	N	78.6	Confident	70.9	Confident	55 Å²	55	79.9 Å²	79.9	29%	0.294	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.4	176.1	-74.3	-79.2	0	0	0	114.5	E171 I173 R677 R680	E171-N175 PolarHBondContact O-N 3.22Å; E171-N175 PolarHBondContact O-ND2 2.72Å; E171-N175 PolarHBondContact OE1-ND2 2.97Å; I173-N175 PolarHBondContact O-N 2.73Å; I173-N175 VanDerWaalsContact O-N 3.11Å; N175-R677 HydrophobicContact CB-CG 4.26Å; N175-R677 WeakPolarHBondContact O-CD 3.32Å; N175-R680 VanDerWaalsContact ND2-CZ 3.3Å; N175-R680 PolarHBondContact ND2-NH1 3.37Å; N175-R680 PolarHBondContact OD1-NH1 3.05Å; N175-R680 PolarHBondContact OD1-NH2 3.44Å
176	Y	78	Confident	70.4	Confident	20 Å²	20	78.8 Å²	78.8	8%	0.078	43%	0.431	C	S	.	.	S	Bend	trans	-121.7	158.3	174.9	-69.8	-95.7	0	0	0	110.1	E148 L151 L172 I173 D174 G178 R677	E148-Y176 HydrophobicContact CB-CE1 4.46Å; E148-Y176 VanDerWaalsContact O-CD1 3.27Å; E148-Y176 WeakPolarHBondContact O-CD1 3.48Å; E148-Y176 WeakPolarHBondContact O-CE1 3.44Å; L151-Y176 HydrophobicContact CB-CD1 4.12Å; L151-Y176 HydrophobicContact CB-CD2 4.11Å; L151-Y176 HydrophobicContact CB-CE1 4.41Å; L151-Y176 HydrophobicContact CB-CE2 4.42Å; L151-Y176 HydrophobicContact CB-CG 3.95Å; L151-Y176 HydrophobicContact CD1-CE1 4.41Å; L151-Y176 HydrophobicContact CD1-CE2 4.09Å; L172-Y176 HydrophobicContact CD1-CE2 4.24Å; L172-Y176 VanDerWaalsContact O-CD2 3.3Å; L172-Y176 WeakPolarHBondContact O-CD2 3.38Å; I173-Y176 PolarHBondContact O-N 3.2Å; I173-Y176 VanDerWaalsContact O-O 3.09Å; D174-Y176 VanDerWaalsContact C-N 3.32Å; Y176-G178 PolarHBondContact O-N 3.31Å; Y176-R677 HydrophobicContact CE2-CB 4.49Å; Y176-R677 HydrophobicContact CE2-CG 4.21Å
177	D	69.7	Low	69.9	Low	126 Å²	126	78.7 Å²	78.7	67%	0.674	43%	0.428	S	S	*	.	S	Bend	trans	-70.5	6.7	175.7	-67.6	-35.2	0	0	0	113.1	T149 F150	T149-D177 PolarHBondContact O-N 2.82Å; F150-D177 HydrophobicContact CD1-CB 4.1Å; F150-D177 HydrophobicContact CE1-CB 3.61Å; F150-D177 WeakPolarHBondContact CE1-O 3.17Å; F150-D177 HydrophobicContact CZ-CB 3.9Å
178	G	67.8	Low	69.7	Low	23 Å²	23	75.6 Å²	75.6	24%	0.237	40%	0.403	C	S	.	.			trans	135.2	172.6	177.6	0	0	0	0	0	114	L151 Y176	L151-G178 PolarHBondContact N-O 3.13Å; L151-G178 VanDerWaalsContact N-O 3.11Å; Y176-G178 PolarHBondContact O-N 3.31Å
179	V	70.1	Confident	69.7	Low	27 Å²	27	75.9 Å²	75.9	16%	0.164	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-96.6	138.9	179.7	-175.4	0	0	0	0	111.3	I154 I173 G181 D182	I154-V179 HydrophobicContact CD1-CG1 4.27Å; I154-V179 HydrophobicContact CG1-CG1 4.14Å; I173-V179 HydrophobicContact CD1-CG2 4.46Å; I173-V179 HydrophobicContact CG1-CG2 4.02Å; I173-V179 HydrophobicContact CG2-CG2 4.33Å; V179-G181 PolarHBondContact O-N 2.69Å; V179-D182 PolarHBondContact O-N 2.82Å
180	H	64.2	Low	69.9	Low	130 Å²	130	76.5 Å²	76.5	60%	0.602	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	103.4	177.8	-178.8	-75.2	0	0	0	111.9	L151	L151-H180 PolarHBondContact O-N 2.84Å
181	G	60.6	Low	69.9	Low	63 Å²	63	75.3 Å²	75.3	65%	0.649	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.5	-18.5	176.3	0	0	0	0	0	113.2	V179 R183	V179-G181 PolarHBondContact O-N 2.69Å; G181-R183 VanDerWaalsContact C-N 3.27Å; G181-R183 PolarHBondContact O-N 3.38Å
182	D	54.3	Low	70	Confident	140 Å²	140	72.1 Å²	72.1	75%	0.749	39%	0.391	S	S	*	.			trans	-80.9	68.3	-179.4	-170.6	28.1	0	0	0	111.9	V179	V179-D182 PolarHBondContact O-N 2.82Å
183	R	58.7	Low	70.3	Confident	104 Å²	104	72.1 Å²	72.1	39%	0.392	39%	0.391	S	S	.	.			trans	-138.6	117.7	-177.4	-61.6	-173.9	-171.1	-118.2	6	111.9	G181 G185	G181-R183 VanDerWaalsContact C-N 3.27Å; G181-R183 PolarHBondContact O-N 3.38Å; R183-G185 PolarHBondContact O-N 2.99Å; R183-G185 VanDerWaalsContact O-N 3.13Å
184	E	53.3	Low	70.6	Confident	203 Å²	203	72.3 Å²	72.3	95%	0.949	39%	0.39	S	S	*	.	S	Bend	trans	-57.3	-25.9	174.2	-56.4	-173.4	148.9	0	0	113.6
185	G	52.2	Low	70.9	Confident	25 Å²	25	69.7 Å²	69.7	26%	0.258	37%	0.374	S	S	.	.	S	Bend	trans	-89.9	99.6	174.2	0	0	0	0	0	111.3	R183	R183-G185 PolarHBondContact O-N 2.99Å; R183-G185 VanDerWaalsContact O-N 3.13Å
186	G	60.8	Low	71.3	Confident	32 Å²	32	67.1 Å²	67.1	33%	0.33	36%	0.36	S	S	.	.			trans	-55.3	158.6	177.3	0	0	0	0	0	114	Y45 I188 F281	Y45-G186 PolarHBondContact OH-O 2.75Å; G186-I188 PolarHBondContact O-N 3.16Å; G186-F281 WeakPolarHBondContact O-CE1 3.16Å
187	F	62.5	Low	71.8	Confident	151 Å²	151	66.1 Å²	66.1	66%	0.662	36%	0.356	S	S	*	.			trans	-49.9	131.4	-176.7	-176.1	-96.1	0	0	0	113.3	Y45	Y45-F187 PolarHBondContact OH-O 2.95Å
188	I	75.1	Confident	72.5	Confident	1 Å²	1	62 Å²	62	1%	0.005	33%	0.333	C	S	.	.			trans	-109	119	171.4	-165.3	172.5	0	0	0	109.9	Y45 G186 I192 F193 L196 F281 Y283 K284	Y45-I188 HydrophobicContact CD2-CD1 4.11Å; Y45-I188 HydrophobicContact CD2-CG1 4.29Å; Y45-I188 HydrophobicContact CE2-CB 4.08Å; Y45-I188 HydrophobicContact CE2-CD1 4.28Å; Y45-I188 HydrophobicContact CE2-CG1 4Å; G186-I188 PolarHBondContact O-N 3.16Å; I188-I192 HydrophobicContact CD1-CG2 4.33Å; I188-I192 HydrophobicContact CG1-CB 4.09Å; I188-I192 HydrophobicContact CG1-CG2 3.9Å; I188-F193 HydrophobicContact CD1-CB 4.06Å; I188-F193 HydrophobicContact CG1-CB 4.24Å; I188-L196 HydrophobicContact CD1-CD2 3.65Å; I188-F281 HydrophobicContact CB-CD1 4.27Å; I188-F281 HydrophobicContact CB-CE1 4.02Å; I188-F281 HydrophobicContact CB-CZ 4.31Å; I188-F281 HydrophobicContact CD1-CD2 4.42Å; I188-F281 HydrophobicContact CD1-CE2 3.99Å; I188-F281 HydrophobicContact CD1-CZ 4.09Å; I188-F281 HydrophobicContact CG2-CD1 3.84Å; I188-F281 HydrophobicContact CG2-CE1 4.12Å; I188-F281 HydrophobicContact CG2-CG 4.05Å; I188-Y283 PolarHBondContact N-OH 3.03Å; I188-K284 HydrophobicContact CG2-CD 4.3Å; I188-K284 VanDerWaalsContact CG2-CE 3.49Å; I188-K284 HydrophobicContact CG2-CG 3.82Å; I188-K284 WeakPolarHBondContact O-CE 3.26Å; I188-K284 PolarHBondContact O-NZ 3.38Å
189	S	79.2	Confident	73.4	Confident	31 Å²	31	61.2 Å²	61.2	22%	0.217	33%	0.325	C	S	.	.			trans	-81.2	157.6	172.5	68.9	0	0	0	0	110.4	E191 I192 F193	S189-E191 PolarHBondContact O-N 2.79Å; S189-I192 PolarHBondContact O-N 2.86Å; S189-I192 WeakPolarHBondContact OG-CD1 3.44Å; S189-I192 WeakPolarHBondContact OG-CG1 3.09Å; S189-F193 PolarHBondContact O-N 2.82Å
190	D	82.1	Confident	74.1	Confident	61 Å²	61	59.9 Å²	59.9	33%	0.326	32%	0.317	S	S	.	.	H	α-helix	trans	-66.5	-27.6	-174.5	-66.8	2.5	0	0	0	112.4	K194 K284 K293 L297	D190-K194 PolarHBondContact O-N 3.42Å; D190-K284 IonicContact OD1-NZ 3.26Å; D190-K284 PolarHBondContact OD1-NZ 2.77Å; D190-K293 VanDerWaalsContact CG-CE 3.43Å; D190-K293 IonicContact OD1-NZ 2.94Å; D190-K293 PolarHBondContact OD1-NZ 3.46Å; D190-K293 WeakPolarHBondContact OD2-CE 3.23Å; D190-K293 IonicContact OD2-NZ 3.47Å; D190-K293 PolarHBondContact OD2-NZ 2.74Å; D190-L297 HydrophobicContact CB-CD1 4.28Å
191	E	80.4	Confident	74.9	Confident	109 Å²	109	54.7 Å²	54.7	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-43.5	167.7	-54.9	173.9	-174.9	0	0	112.9	K52 S189 E195	K52-E191 VanDerWaalsContact NZ-CB 3.3Å; K52-E191 IonicContact NZ-OE2 2.93Å; K52-E191 PolarHBondContact NZ-OE2 2.58Å; K52-E191 VanDerWaalsContact NZ-OE2 3.07Å; S189-E191 PolarHBondContact O-N 2.79Å; E191-E195 PolarHBondContact O-N 3.07Å; E191-E195 VanDerWaalsContact O-N 3.15Å
192	I	83.8	Confident	75.7	Confident	22 Å²	22	58 Å²	58	11%	0.113	29%	0.294	C	S	.	.	H	α-helix	trans	-72	-36	-179.9	-65.5	170	0	0	0	109.4	Y45 K52 I188 S189 E195 L196	Y45-I192 HydrophobicContact CD2-CG2 4.02Å; Y45-I192 HydrophobicContact CE2-CG2 4.12Å; K52-I192 HydrophobicContact CD-CG1 3.96Å; I188-I192 HydrophobicContact CD1-CG2 4.33Å; I188-I192 HydrophobicContact CG1-CB 4.09Å; I188-I192 HydrophobicContact CG1-CG2 3.9Å; S189-I192 PolarHBondContact O-N 2.86Å; S189-I192 WeakPolarHBondContact OG-CD1 3.44Å; S189-I192 WeakPolarHBondContact OG-CG1 3.09Å; I192-E195 PolarHBondContact O-N 3.06Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 PolarHBondContact O-N 2.98Å
193	F	85.8	Confident	76.5	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-48.3	173.3	170.3	-106.8	0	0	0	111.7	I188 S189 L196 V197 F274 I277 L290 K293 L297	I188-F193 HydrophobicContact CD1-CB 4.06Å; I188-F193 HydrophobicContact CG1-CB 4.24Å; S189-F193 PolarHBondContact O-N 2.82Å; F193-L196 PolarHBondContact O-N 3.47Å; F193-V197 HydrophobicContact CD2-CG2 4.23Å; F193-V197 HydrophobicContact CE2-CG2 3.81Å; F193-V197 HydrophobicContact CZ-CG2 4.01Å; F193-V197 WeakPolarHBondContact O-CG2 3.42Å; F193-V197 PolarHBondContact O-N 3.23Å; F193-F274 HydrophobicContact CZ-CE1 4.47Å; F193-I277 HydrophobicContact CD2-CG2 4.26Å; F193-I277 HydrophobicContact CE2-CG2 4.08Å; F193-L290 HydrophobicContact CE2-CB 4.27Å; F193-L290 HydrophobicContact CE2-CD1 4.38Å; F193-L290 HydrophobicContact CE2-CD2 3.89Å; F193-L290 HydrophobicContact CE2-CG 4.42Å; F193-L290 HydrophobicContact CZ-CB 3.97Å; F193-L290 HydrophobicContact CZ-CD2 3.98Å; F193-L290 HydrophobicContact CZ-CG 4.48Å; F193-L290 WeakPolarHBondContact CZ-O 3.39Å; F193-K293 HydrophobicContact CE1-CG 4.31Å; F193-L297 HydrophobicContact CD1-CD1 3.83Å; F193-L297 HydrophobicContact CE1-CD1 4.2Å
194	K	86.3	Confident	76.7	Confident	63 Å²	63	52.1 Å²	52.1	27%	0.274	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-51	175.9	-176	-179.7	-179.5	172.4	0	111.8	D190 L196 V197 D198 Y294 L297	D190-K194 PolarHBondContact O-N 3.42Å; K194-L196 VanDerWaalsContact C-N 3.3Å; K194-L196 PolarHBondContact O-N 3.05Å; K194-V197 PolarHBondContact O-N 3.02Å; K194-D198 WeakPolarHBondContact O-CB 3.43Å; K194-D198 PolarHBondContact O-N 2.74Å; K194-Y294 HydrophobicContact CG-CE2 4.24Å; K194-L297 HydrophobicContact CD-CB 4.34Å; K194-L297 WeakPolarHBondContact CE-O 3.41Å; K194-L297 PolarHBondContact NZ-O 2.61Å
195	E	85.2	Confident	77	Confident	74 Å²	74	46.6 Å²	46.6	35%	0.346	24%	0.24	S	C	.	.	H	α-helix	trans	-64.4	-32.7	179.2	-75.4	171.6	-136.8	0	0	113	L48 K52 E191 I192 A199	L48-E195 HydrophobicContact CD1-CB 4.27Å; K52-E195 WeakPolarHBondContact CE-OE1 3.38Å; K52-E195 WeakPolarHBondContact CE-OE2 3.26Å; K52-E195 IonicContact NZ-OE1 3.75Å; K52-E195 PolarHBondContact NZ-OE1 3.48Å; K52-E195 IonicContact NZ-OE2 3.64Å; E191-E195 PolarHBondContact O-N 3.07Å; E191-E195 VanDerWaalsContact O-N 3.15Å; I192-E195 PolarHBondContact O-N 3.06Å; E195-A199 WeakPolarHBondContact O-CB 3.29Å; E195-A199 PolarHBondContact O-N 2.86Å
196	L	87.4	Confident	77.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-42.1	175.3	179.5	62.9	0	0	0	111.5	V41 E44 L48 I188 I192 F193 K194 A199 L200 F281	V41-L196 HydrophobicContact CG1-CD2 4.41Å; E44-L196 HydrophobicContact CB-CD1 3.99Å; E44-L196 HydrophobicContact CG-CD1 3.97Å; L48-L196 HydrophobicContact CD1-CB 4.05Å; L48-L196 HydrophobicContact CD1-CD1 4.2Å; I188-L196 HydrophobicContact CD1-CD2 3.65Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 PolarHBondContact O-N 2.98Å; F193-L196 PolarHBondContact O-N 3.47Å; K194-L196 VanDerWaalsContact C-N 3.3Å; K194-L196 PolarHBondContact O-N 3.05Å; L196-A199 PolarHBondContact O-N 3.05Å; L196-L200 HydrophobicContact CD1-CD1 3.76Å; L196-L200 HydrophobicContact CD1-CG 4.17Å; L196-L200 HydrophobicContact CG-CD1 3.81Å; L196-L200 WeakPolarHBondContact O-CB 3.24Å; L196-L200 WeakPolarHBondContact O-CD1 3.43Å; L196-L200 WeakPolarHBondContact O-CG 3.29Å; L196-L200 PolarHBondContact O-N 3.17Å; L196-F281 HydrophobicContact CD2-CE2 4.38Å
197	V	87.9	Confident	76.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-45.4	174.9	176.6	0	0	0	0	110.9	F193 K194 A199 L200 S201 P269 F274 I277 Y294	F193-V197 HydrophobicContact CD2-CG2 4.23Å; F193-V197 HydrophobicContact CE2-CG2 3.81Å; F193-V197 HydrophobicContact CZ-CG2 4.01Å; F193-V197 WeakPolarHBondContact O-CG2 3.42Å; F193-V197 PolarHBondContact O-N 3.23Å; K194-V197 PolarHBondContact O-N 3.02Å; V197-A199 VanDerWaalsContact C-N 3.27Å; V197-A199 PolarHBondContact O-N 2.83Å; V197-L200 PolarHBondContact O-N 3.39Å; V197-S201 PolarHBondContact O-N 3.48Å; V197-P269 HydrophobicContact CG1-CB 4.36Å; V197-P269 HydrophobicContact CG1-CG 3.91Å; V197-F274 HydrophobicContact CG1-CE1 3.98Å; V197-F274 HydrophobicContact CG1-CZ 3.77Å; V197-F274 HydrophobicContact CG2-CE1 4.07Å; V197-I277 HydrophobicContact CG2-CD1 3.61Å; V197-Y294 HydrophobicContact CB-CD2 3.77Å; V197-Y294 HydrophobicContact CB-CE2 3.65Å; V197-Y294 HydrophobicContact CB-CG 4.43Å; V197-Y294 HydrophobicContact CG1-CD1 3.98Å; V197-Y294 HydrophobicContact CG1-CD2 3.62Å; V197-Y294 HydrophobicContact CG1-CE1 3.78Å; V197-Y294 HydrophobicContact CG1-CE2 3.43Å; V197-Y294 VanDerWaalsContact CG1-CE2 3.43Å; V197-Y294 HydrophobicContact CG1-CG 3.89Å; V197-Y294 HydrophobicContact CG2-CD2 4.23Å
198	D	85.9	Confident	76.5	Confident	38 Å²	38	50 Å²	50	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-36.7	175.1	-84.9	-46	0	0	0	111.5	K194 Q202 K266 Y294	K194-D198 WeakPolarHBondContact O-CB 3.43Å; K194-D198 PolarHBondContact O-N 2.74Å; D198-Q202 PolarHBondContact O-NE2 2.95Å; D198-K266 IonicContact OD1-NZ 2.8Å; D198-K266 PolarHBondContact OD1-NZ 2.93Å; D198-K266 IonicContact OD2-NZ 2.65Å; D198-Y294 PolarHBondContact OD1-OH 3.48Å
199	A	85.4	Confident	75.2	Confident	7 Å²	7	54.9 Å²	54.9	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-77.1	-40.3	177.7	0	0	0	0	0	113.1	E44 L48 E195 L196 V197 S201 Q202 Y203	E44-A199 HydrophobicContact CG-CB 3.83Å; E44-A199 WeakPolarHBondContact OE1-CB 3.24Å; L48-A199 HydrophobicContact CD1-CB 4.21Å; E195-A199 WeakPolarHBondContact O-CB 3.29Å; E195-A199 PolarHBondContact O-N 2.86Å; L196-A199 PolarHBondContact O-N 3.05Å; V197-A199 VanDerWaalsContact C-N 3.27Å; V197-A199 PolarHBondContact O-N 2.83Å; A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 2.94Å; A199-Q202 WeakPolarHBondContact O-CB 3.21Å; A199-Q202 PolarHBondContact O-N 3.38Å; A199-Y203 WeakPolarHBondContact O-CD2 3.29Å
200	L	84.5	Confident	73.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.3	-28	177.3	-71.4	165.8	0	0	0	112.5	W37 R40 V41 E44 L196 V197 Q202 Y203 S204 I273 I277	W37-L200 HydrophobicContact CZ3-CD2 4.32Å; R40-L200 HydrophobicContact CB-CD2 4.42Å; V41-L200 HydrophobicContact CB-CD1 4.42Å; V41-L200 HydrophobicContact CG2-CD1 3.64Å; V41-L200 HydrophobicContact CG2-CD2 4.38Å; E44-L200 HydrophobicContact CB-CD2 4.3Å; L196-L200 HydrophobicContact CD1-CD1 3.76Å; L196-L200 HydrophobicContact CD1-CG 4.17Å; L196-L200 HydrophobicContact CG-CD1 3.81Å; L196-L200 WeakPolarHBondContact O-CB 3.24Å; L196-L200 WeakPolarHBondContact O-CD1 3.43Å; L196-L200 WeakPolarHBondContact O-CG 3.29Å; L196-L200 PolarHBondContact O-N 3.17Å; V197-L200 PolarHBondContact O-N 3.39Å; L200-Q202 VanDerWaalsContact C-N 3.3Å; L200-Q202 PolarHBondContact O-N 3.18Å; L200-Y203 PolarHBondContact O-N 3.01Å; L200-S204 PolarHBondContact O-N 2.83Å; L200-I273 HydrophobicContact CB-CD1 4.3Å; L200-I273 HydrophobicContact CB-CG1 4.43Å; L200-I273 HydrophobicContact CB-CG2 3.79Å; L200-I273 HydrophobicContact CD1-CG2 3.96Å; L200-I277 HydrophobicContact CD1-CD1 3.99Å; L200-I277 HydrophobicContact CD1-CG1 4.21Å
201	S	82.6	Confident	72.3	Confident	21 Å²	21	64.3 Å²	64.3	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-34.4	172	-159.8	0	0	0	0	112.4	V197 A199 Y203 S204 D205	V197-S201 PolarHBondContact O-N 3.48Å; A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 2.94Å; S201-Y203 PolarHBondContact O-N 3.46Å; S201-S204 PolarHBondContact O-N 2.97Å; S201-S204 VanDerWaalsContact O-N 3.15Å; S201-S204 PolarHBondContact O-OG 3.4Å; S201-D205 VanDerWaalsContact O-CG 3.24Å; S201-D205 PolarHBondContact O-N 3.47Å; S201-D205 VanDerWaalsContact O-N 3.15Å
202	Q	77.4	Confident	70.7	Confident	131 Å²	131	66.2 Å²	66.2	61%	0.612	32%	0.318	S	S	*	.	H	α-helix	trans	-66.6	-22.6	177.5	-66.6	162	42.7	0	0	112.5	D198 A199 L200	D198-Q202 PolarHBondContact O-NE2 2.95Å; A199-Q202 WeakPolarHBondContact O-CB 3.21Å; A199-Q202 PolarHBondContact O-N 3.38Å; L200-Q202 VanDerWaalsContact C-N 3.3Å; L200-Q202 PolarHBondContact O-N 3.18Å
203	Y	69.8	Low	68.8	Low	114 Å²	114	70.5 Å²	70.5	45%	0.447	34%	0.341	S	S	.	.	H	α-helix	trans	-83.9	-29.9	173.3	-71.9	-77.7	0	0	0	112.8	A199 L200 S201 D207	A199-Y203 WeakPolarHBondContact O-CD2 3.29Å; L200-Y203 PolarHBondContact O-N 3.01Å; S201-Y203 PolarHBondContact O-N 3.46Å; Y203-D207 PolarHBondContact O-N 3.47Å; Y203-D207 VanDerWaalsContact O-N 3.1Å
204	S	64	Low	67	Low	8 Å²	8	72.9 Å²	72.9	6%	0.056	36%	0.362	C	S	.	.	H	α-helix	trans	-70.8	-37.5	174.5	52.5	0	0	0	0	112.3	L200 S201 H206 D207 E208	L200-S204 PolarHBondContact O-N 2.83Å; S201-S204 PolarHBondContact O-N 2.97Å; S201-S204 VanDerWaalsContact O-N 3.15Å; S201-S204 PolarHBondContact O-OG 3.4Å; S204-H206 VanDerWaalsContact C-N 3.26Å; S204-H206 PolarHBondContact O-N 3.1Å; S204-D207 PolarHBondContact O-N 3.4Å; S204-E208 WeakPolarHBondContact O-CG 3.4Å; S204-E208 PolarHBondContact O-N 2.78Å; S204-E208 VanDerWaalsContact O-N 3.14Å
205	D	58.3	Low	65.1	Low	86 Å²	86	71.9 Å²	71.9	46%	0.46	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-38.2	176.5	-55.9	-14.6	0	0	0	110.2	S201 E208 D209	S201-D205 VanDerWaalsContact O-CG 3.24Å; S201-D205 PolarHBondContact O-N 3.47Å; S201-D205 VanDerWaalsContact O-N 3.15Å; D205-E208 PolarHBondContact O-N 3.12Å; D205-D209 PolarHBondContact O-N 3.4Å; D205-D209 VanDerWaalsContact O-N 3.09Å
206	H	55	Low	63.6	Low	116 Å²	116	72.5 Å²	72.5	54%	0.537	38%	0.378	S	S	.	.	H	α-helix	trans	-75	-30.8	180	-137.9	-54.5	0	0	0	114.2	S204 E208 E210	S204-H206 VanDerWaalsContact C-N 3.26Å; S204-H206 PolarHBondContact O-N 3.1Å; H206-E208 VanDerWaalsContact C-N 3.35Å; H206-E210 PolarHBondContact O-N 3.38Å
207	D	55.9	Low	61.9	Low	59 Å²	59	76.4 Å²	76.4	32%	0.316	40%	0.402	S	S	.	.	H	α-helix	trans	-70.8	-30.9	171.5	-72.5	-32.1	0	0	0	110.6	R40 Y203 S204 E211	R40-D207 IonicContact CZ-OD2 2.77Å; R40-D207 IonicContact NH1-OD1 3.8Å; R40-D207 PolarHBondContact NH1-OD1 2.83Å; R40-D207 IonicContact NH1-OD2 3.28Å; R40-D207 PolarHBondContact NH1-OD2 2.86Å; R40-D207 IonicContact NH2-OD1 3.45Å; R40-D207 IonicContact NH2-OD2 3.31Å; Y203-D207 PolarHBondContact O-N 3.47Å; Y203-D207 VanDerWaalsContact O-N 3.1Å; S204-D207 PolarHBondContact O-N 3.4Å; D207-E211 PolarHBondContact O-N 3.49Å
208	E	53.9	Low	59.9	Low	106 Å²	106	79.2 Å²	79.2	50%	0.495	43%	0.425	S	S	.	.	H	α-helix	trans	-72.9	-41.5	175.5	-73.3	178.4	-165.5	0	0	111.7	S204 D205 H206 E210 E211 E212	S204-E208 WeakPolarHBondContact O-CG 3.4Å; S204-E208 PolarHBondContact O-N 2.78Å; S204-E208 VanDerWaalsContact O-N 3.14Å; D205-E208 PolarHBondContact O-N 3.12Å; H206-E208 VanDerWaalsContact C-N 3.35Å; E208-E210 PolarHBondContact O-N 3.16Å; E208-E211 PolarHBondContact O-N 2.87Å; E208-E212 PolarHBondContact O-N 2.94Å; E208-E212 VanDerWaalsContact O-N 3.1Å
209	D	48.1	Very low	58.2	Low	103 Å²	103	79.3 Å²	79.3	55%	0.551	43%	0.431	S	S	*	.	H	α-helix	trans	-60.8	-39.5	173.8	-72.7	-31.6	0	0	0	112.4	D205 E212 D213	D205-D209 PolarHBondContact O-N 3.4Å; D205-D209 VanDerWaalsContact O-N 3.09Å; D209-E212 PolarHBondContact O-N 3.35Å; D209-D213 PolarHBondContact O-N 3.4Å; D209-D213 VanDerWaalsContact O-N 3.07Å
210	E	49.5	Very low	56.3	Low	134 Å²	134	84.5 Å²	84.5	63%	0.626	45%	0.454	S	S	*	.	H	α-helix	trans	-70.4	-31.8	176.8	-76.4	-169.5	-172.4	0	0	113.1	H206 E208 A214	H206-E210 PolarHBondContact O-N 3.38Å; E208-E210 PolarHBondContact O-N 3.16Å; E210-A214 VanDerWaalsContact O-CB 3.27Å; E210-A214 WeakPolarHBondContact O-CB 3.27Å; E210-A214 PolarHBondContact O-N 2.82Å; E210-A214 VanDerWaalsContact O-N 3.08Å
211	E	50.2	Low	54.7	Low	156 Å²	156	89.1 Å²	89.1	73%	0.729	48%	0.482	S	S	*	.	H	α-helix	trans	-70	-34.4	172	-78.7	-168.2	162.7	0	0	112.1	D207 E208 G215	D207-E211 PolarHBondContact O-N 3.49Å; E208-E211 PolarHBondContact O-N 2.87Å; E211-G215 PolarHBondContact O-N 3.47Å; E211-G215 VanDerWaalsContact O-N 3.12Å
212	E	46.8	Very low	52.9	Low	148 Å²	148	92 Å²	92	69%	0.692	50%	0.499	S	S	*	.	H	α-helix	trans	-68.5	-46.1	173.7	-71.5	-159.6	163.5	0	0	112.4	E208 D209 A214 G215 V216	E208-E212 PolarHBondContact O-N 2.94Å; E208-E212 VanDerWaalsContact O-N 3.1Å; D209-E212 PolarHBondContact O-N 3.35Å; E212-A214 VanDerWaalsContact C-N 3.33Å; E212-A214 PolarHBondContact O-N 2.85Å; E212-G215 WeakPolarHBondContact O-CA 3.39Å; E212-G215 PolarHBondContact O-N 3.01Å; E212-V216 WeakPolarHBondContact O-CG2 3.4Å; E212-V216 PolarHBondContact O-N 3.49Å
213	D	44.5	Very low	51.1	Low	113 Å²	113	94.5 Å²	94.5	60%	0.604	50%	0.503	S	S	*	.	H	α-helix	trans	-65.9	-33.7	178.1	-113.8	-14.2	0	0	0	112.4	D209 G215 V216 T217	D209-D213 PolarHBondContact O-N 3.4Å; D209-D213 VanDerWaalsContact O-N 3.07Å; D213-G215 VanDerWaalsContact C-N 3.32Å; D213-V216 PolarHBondContact O-N 2.89Å; D213-T217 WeakPolarHBondContact O-CG2 3.43Å; D213-T217 PolarHBondContact O-N 3.36Å; D213-T217 PolarHBondContact O-OG1 3.43Å
214	A	47.7	Very low	50	Low	54 Å²	54	95 Å²	95	45%	0.446	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-35.3	170.1	0	0	0	0	0	112.3	E210 E212 T217 A218	E210-A214 VanDerWaalsContact O-CB 3.27Å; E210-A214 WeakPolarHBondContact O-CB 3.27Å; E210-A214 PolarHBondContact O-N 2.82Å; E210-A214 VanDerWaalsContact O-N 3.08Å; E212-A214 VanDerWaalsContact C-N 3.33Å; E212-A214 PolarHBondContact O-N 2.85Å; A214-T217 WeakPolarHBondContact CA-OG1 3.23Å; A214-T217 PolarHBondContact O-OG1 2.72Å; A214-A218 WeakPolarHBondContact O-CB 3.33Å; A214-A218 PolarHBondContact O-N 2.96Å; A214-A218 VanDerWaalsContact O-N 3.13Å
215	G	47.8	Very low	49	Very low	42 Å²	42	101.8 Å²	101.8	43%	0.433	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-43.9	173	0	0	0	0	0	113	E211 E212 D213 A218 A219	E211-G215 PolarHBondContact O-N 3.47Å; E211-G215 VanDerWaalsContact O-N 3.12Å; E212-G215 WeakPolarHBondContact O-CA 3.39Å; E212-G215 PolarHBondContact O-N 3.01Å; D213-G215 VanDerWaalsContact C-N 3.32Å; G215-A218 PolarHBondContact O-N 3.02Å; G215-A219 PolarHBondContact O-N 2.91Å
216	V	53.7	Low	48.4	Very low	86 Å²	86	104.2 Å²	104.2	52%	0.521	55%	0.545	S	S	.	.	H	α-helix	trans	-66.7	-42.4	179.3	176	0	0	0	0	111.5	E212 D213 A219 E220	E212-V216 WeakPolarHBondContact O-CG2 3.4Å; E212-V216 PolarHBondContact O-N 3.49Å; D213-V216 PolarHBondContact O-N 2.89Å; V216-A219 WeakPolarHBondContact O-CB 3.37Å; V216-A219 PolarHBondContact O-N 3.22Å; V216-E220 PolarHBondContact O-N 3Å
217	T	50.4	Low	47.9	Very low	83 Å²	83	105.1 Å²	105.1	51%	0.509	55%	0.549	S	S	.	.	H	α-helix	trans	-67.6	-35.5	177	49.4	0	0	0	0	112.8	D213 A214 A219 V221	D213-T217 WeakPolarHBondContact O-CG2 3.43Å; D213-T217 PolarHBondContact O-N 3.36Å; D213-T217 PolarHBondContact O-OG1 3.43Å; A214-T217 WeakPolarHBondContact CA-OG1 3.23Å; A214-T217 PolarHBondContact O-OG1 2.72Å; T217-A219 VanDerWaalsContact C-N 3.33Å; T217-V221 WeakPolarHBondContact O-CG2 3.36Å; T217-V221 PolarHBondContact O-N 3.23Å
218	A	47.4	Very low	47.4	Very low	59 Å²	59	109.7 Å²	109.7	49%	0.488	57%	0.569	S	S	.	*	H	α-helix	trans	-65.3	-35.2	170.9	0	0	0	0	0	112.7	A214 G215 T222	A214-A218 WeakPolarHBondContact O-CB 3.33Å; A214-A218 PolarHBondContact O-N 2.96Å; A214-A218 VanDerWaalsContact O-N 3.13Å; G215-A218 PolarHBondContact O-N 3.02Å; A218-T222 PolarHBondContact O-N 3.24Å; A218-T222 PolarHBondContact O-OG1 3.14Å
219	A	48.6	Very low	47.1	Very low	40 Å²	40	115.1 Å²	115.1	33%	0.331	59%	0.585	S	S	.	*	H	α-helix	trans	-67.1	-48.9	174.5	0	0	0	0	0	111.9	G215 V216 T217 V221 T222 W223	G215-A219 PolarHBondContact O-N 2.91Å; V216-A219 WeakPolarHBondContact O-CB 3.37Å; V216-A219 PolarHBondContact O-N 3.22Å; T217-A219 VanDerWaalsContact C-N 3.33Å; A219-V221 VanDerWaalsContact C-N 3.25Å; A219-V221 PolarHBondContact O-N 2.7Å; A219-T222 WeakPolarHBondContact CA-OG1 3.33Å; A219-T222 PolarHBondContact O-N 2.75Å; A219-T222 PolarHBondContact O-OG1 3.29Å; A219-W223 PolarHBondContact O-N 2.98Å
220	E	47.2	Very low	47	Very low	115 Å²	115	118 Å²	118	54%	0.537	60%	0.597	S	S	.	*	H	α-helix	trans	-58.5	-37.1	177.7	-78.4	-149.2	157.2	0	0	113.1	V216 T222 K224	V216-E220 PolarHBondContact O-N 3Å; E220-T222 VanDerWaalsContact C-N 3.34Å; E220-K224 PolarHBondContact O-N 3.44Å; E220-K224 VanDerWaalsContact O-N 3.15Å; E220-K224 IonicContact OE2-NZ 3.45Å; E220-K224 PolarHBondContact OE2-NZ 3.33Å
221	V	49.4	Very low	46.7	Very low	97 Å²	97	119.6 Å²	119.6	59%	0.588	61%	0.606	S	S	*	*	H	α-helix	trans	-71.5	-28	178	173.3	0	0	0	0	112.2	T217 A219	T217-V221 WeakPolarHBondContact O-CG2 3.36Å; T217-V221 PolarHBondContact O-N 3.23Å; A219-V221 VanDerWaalsContact C-N 3.25Å; A219-V221 PolarHBondContact O-N 2.7Å
222	T	44.9	Very low	46.3	Very low	82 Å²	82	120.8 Å²	120.8	50%	0.503	61%	0.614	S	S	.	*	H	α-helix	trans	-77.5	-43.1	172.8	29.1	0	0	0	0	112.1	A218 A219 E220 K224 K225 E226	A218-T222 PolarHBondContact O-N 3.24Å; A218-T222 PolarHBondContact O-OG1 3.14Å; A219-T222 WeakPolarHBondContact CA-OG1 3.33Å; A219-T222 PolarHBondContact O-N 2.75Å; A219-T222 PolarHBondContact O-OG1 3.29Å; E220-T222 VanDerWaalsContact C-N 3.34Å; T222-K224 PolarHBondContact O-N 3Å; T222-K225 WeakPolarHBondContact O-CB 3.24Å; T222-K225 PolarHBondContact O-N 2.88Å; T222-K225 VanDerWaalsContact O-N 3.08Å; T222-E226 PolarHBondContact O-N 2.78Å; T222-E226 VanDerWaalsContact O-N 3.14Å
223	W	40.3	Very low	46.1	Very low	183 Å²	183	125 Å²	125	69%	0.693	62%	0.623	S	S	*	*	H	α-helix	trans	-61.3	-44.1	178.4	-79.8	65	0	0	0	112.7	A219 K225 E226 E227	A219-W223 PolarHBondContact O-N 2.98Å; W223-K225 PolarHBondContact O-N 3.37Å; W223-E226 PolarHBondContact O-N 3.46Å; W223-E226 VanDerWaalsContact O-N 3.1Å; W223-E227 PolarHBondContact O-N 3.36Å
224	K	45.7	Very low	45.6	Very low	126 Å²	126	131 Å²	131	55%	0.548	64%	0.638	S	S	.	*	H	α-helix	trans	-60.8	-29.8	174.7	-77.4	169.3	-179.9	150.5	0	113.2	E220 T222 E228	E220-K224 PolarHBondContact O-N 3.44Å; E220-K224 VanDerWaalsContact O-N 3.15Å; E220-K224 IonicContact OE2-NZ 3.45Å; E220-K224 PolarHBondContact OE2-NZ 3.33Å; T222-K224 PolarHBondContact O-N 3Å; K224-E228 PolarHBondContact O-N 3.49Å
225	K	44.2	Very low	44.7	Very low	149 Å²	149	133.6 Å²	133.6	65%	0.648	65%	0.653	S	S	*	*	H	α-helix	trans	-79	-21.5	177.8	-128.1	171.4	-173.8	171	0	113.5	T222 W223	T222-K225 WeakPolarHBondContact O-CB 3.24Å; T222-K225 PolarHBondContact O-N 2.88Å; T222-K225 VanDerWaalsContact O-N 3.08Å; W223-K225 PolarHBondContact O-N 3.37Å
226	E	45.1	Very low	43.7	Very low	137 Å²	137	136.9 Å²	136.9	64%	0.64	67%	0.669	S	S	*	*	H	α-helix	trans	-85	-36.7	172.7	-67.3	-163.1	133.9	0	0	111.8	T222 W223 R229 M230	T222-E226 PolarHBondContact O-N 2.78Å; T222-E226 VanDerWaalsContact O-N 3.14Å; W223-E226 PolarHBondContact O-N 3.46Å; W223-E226 VanDerWaalsContact O-N 3.1Å; E226-R229 WeakPolarHBondContact O-CB 3.46Å; E226-R229 PolarHBondContact O-N 3.06Å; E226-R229 VanDerWaalsContact O-N 3.15Å; E226-M230 PolarHBondContact O-N 2.79Å
227	E	44.6	Very low	42.5	Very low	136 Å²	136	138.7 Å²	138.7	64%	0.636	68%	0.68	S	S	*	*	H	α-helix	trans	-62.5	-44.7	174.2	-72.9	-166.8	132.7	0	0	112.9	W223 R229 M230 M231	W223-E227 PolarHBondContact O-N 3.36Å; E227-R229 PolarHBondContact O-N 2.77Å; E227-M230 PolarHBondContact O-N 2.79Å; E227-M231 PolarHBondContact O-N 3.09Å
228	E	45.5	Very low	41.5	Very low	155 Å²	155	143.9 Å²	143.9	72%	0.724	70%	0.698	S	S	*	*	H	α-helix	trans	-58.3	-33.9	173.2	-86.5	-169	141.3	0	0	112.5	K224	K224-E228 PolarHBondContact O-N 3.49Å
229	R	48.1	Very low	40.5	Very low	220 Å²	220	144.3 Å²	144.3	83%	0.83	71%	0.709	S	S	*	*	H	α-helix	trans	-74	-27.4	175.7	-105.1	-179.4	-170.9	-162	2.9	113.5	E226 E227	E226-R229 WeakPolarHBondContact O-CB 3.46Å; E226-R229 PolarHBondContact O-N 3.06Å; E226-R229 VanDerWaalsContact O-N 3.15Å; E227-R229 PolarHBondContact O-N 2.77Å
230	M	44.9	Very low	39.4	Very low	164 Å²	164	147.5 Å²	147.5	81%	0.808	73%	0.729	S	S	*	*	H	α-helix	trans	-86.6	-29.4	-179	-142.8	171	-162.4	0	0	112.2	E226 E227	E226-M230 PolarHBondContact O-N 2.79Å; E227-M230 PolarHBondContact O-N 2.79Å
231	M	43.6	Very low	38.5	Very low	166 Å²	166	150.6 Å²	150.6	82%	0.818	74%	0.743	S	S	*	*	H	α-helix	trans	-75.3	-21.9	-178.7	-152.4	172.7	-163.5	0	0	113.8	E227 R233	E227-M231 PolarHBondContact O-N 3.09Å; M231-R233 PolarHBondContact O-N 2.76Å
232	M	42.3	Very low	37.4	Very low	181 Å²	181	153.9 Å²	153.9	89%	0.892	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	9.1	179.6	-144.6	179.3	-160.8	0	0	114.6
233	R	42.3	Very low	36.5	Very low	236 Å²	236	155.2 Å²	155.2	89%	0.891	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	27.6	-175.8	-139.5	176.6	-167.8	179.3	3.6	115	M231	M231-R233 PolarHBondContact O-N 2.76Å
234	R	33.6	Very low	35.9	Very low	240 Å²	240	155.8 Å²	155.8	91%	0.906	77%	0.768	S	S	*	*			trans	-156.3	85.8	166.4	-154.1	167.9	-177.6	171	-2.2	113.2
235	S	28.7	Very low	34.9	Very low	109 Å²	109	154.9 Å²	154.9	76%	0.762	78%	0.784	S	S	*	*			trans	-83.6	137.3	167.3	58.3	0	0	0	0	111.4
236	S	27.5	Very low	34	Very low	110 Å²	110	151.6 Å²	151.6	77%	0.769	79%	0.792	S	S	*	*				166.7	147.5	122.1	-82.8	0	0	0	0	113.1
237	V	29	Very low	33.1	Very low	125 Å²	125	151.4 Å²	151.4	76%	0.758	80%	0.8	S	S	*	*			trans	86.9	94.4	166.3	-164.2	0	0	0	0	118.6
238	E	28.4	Very low	32.2	Very low	191 Å²	191	151.9 Å²	151.9	89%	0.893	81%	0.806	S	S	*	*			trans	53	141.1	132.1	-57.7	178.7	177.8	0	0	123.9
239	G	25.8	Very low	31.2	Very low	69 Å²	69	151 Å²	151	71%	0.711	81%	0.805	S	S	*	*			trans	142.1	75.9	147.6	0	0	0	0	0	120.7
240	S	26.8	Very low	30.2	Very low	107 Å²	107	150.8 Å²	150.8	75%	0.748	80%	0.804	S	S	*	*			trans	39.2	124.3	142.6	61.3	0	0	0	0	124.9
241	E	28	Very low	29.2	Very low	180 Å²	180	153.2 Å²	153.2	84%	0.841	81%	0.811	S	S	*	*				72.6	120.3	125.5	-65.1	-174.4	154	0	0	125.6
242	E	25.8	Very low	28.3	Very low	166 Å²	166	153.3 Å²	153.3	78%	0.776	81%	0.806	S	S	*	*				71.2	136.9	128.5	-65	-136	134.5	0	0	126.7
243	T	26.8	Very low	27.4	Very low	110 Å²	110	156.5 Å²	156.5	68%	0.675	81%	0.808	S	S	*	*			trans	83.3	107.5	144.3	45.1	0	0	0	0	124.8
244	K	26.4	Very low	26.6	Very low	195 Å²	195	156.5 Å²	156.5	85%	0.848	81%	0.809	S	S	*	*				45.1	117.6	123.1	-76.9	177.4	174.9	169.7	0	122.1
245	A	25.5	Very low	26.1	Very low	107 Å²	107	148 Å²	148	88%	0.884	80%	0.795	S	S	*	*				57.4	120.6	124.5	0	0	0	0	0	121.2
246	G	26.3	Very low	25.9	Very low	80 Å²	80	149.7 Å²	149.7	83%	0.825	80%	0.801	S	S	*	*			trans	-168	104.3	166	0	0	0	0	0	113.7
247	T	25.3	Very low	26.1	Very low	132 Å²	132	150.8 Å²	150.8	81%	0.81	80%	0.804	S	S	*	*			trans	-81.8	142.6	170.8	-52.6	0	0	0	0	110.1
248	L	25.2	Very low	25.9	Very low	146 Å²	146	153 Å²	153	76%	0.764	81%	0.806	S	S	*	*				160.6	135.5	128.4	-83.4	167	0	0	0	115.8
249	I	25.2	Very low	26.3	Very low	137 Å²	137	149.7 Å²	149.7	70%	0.703	80%	0.798	S	S	*	*			trans	71.8	94.1	142.7	-59.3	167.1	0	0	0	119.8
250	R	25.8	Very low	26.3	Very low	215 Å²	215	154.8 Å²	154.8	81%	0.811	80%	0.801	S	S	*	*				47.4	111.1	112.3	-165.7	-172.9	-166.4	-172	6.9	118.7
251	K	24.2	Very low	26.3	Very low	216 Å²	216	157.2 Å²	157.2	94%	0.939	81%	0.805	S	S	*	*			trans	-128	117.7	147	-112	174.2	-175.9	169.8	0	112
252	K	24.6	Very low	26.5	Very low	168 Å²	168	155.1 Å²	155.1	73%	0.73	80%	0.804	S	S	*	*			trans	-86.1	130.8	175.9	177.7	179.5	-177.2	175.3	0	108.8
253	R	24.2	Very low	26.6	Very low	247 Å²	247	152 Å²	152	93%	0.932	80%	0.801	S	S	*	*			trans	-130.7	133.9	166	-142.8	174	178	-176.9	-3.6	110
254	R	26.1	Very low	27.1	Very low	237 Å²	237	152.5 Å²	152.5	89%	0.894	81%	0.809	S	S	*	*			trans	-92.7	148.6	-178.4	-104.8	177	165.6	172.8	-6.7	109.9
255	G	22.2	Very low	27.5	Very low	61 Å²	61	148.2 Å²	148.2	63%	0.629	80%	0.804	S	S	*	*			trans	173.7	86.3	167.6	0	0	0	0	0	107.3
256	T	23.8	Very low	28.6	Very low	144 Å²	144	149 Å²	149	88%	0.883	79%	0.787	S	S	*	*				91.4	116.5	96.1	39.1	0	0	0	0	111.9
257	T	31.9	Very low	30	Very low	134 Å²	134	156 Å²	156	82%	0.822	79%	0.789	S	S	*	*			trans	-73.1	125.3	-176.3	-31.5	0	0	0	0	110.8	V259	T257-V259 HydrophobicContact CG2-CG2 4.39Å
258	E	24.5	Very low	31.8	Very low	171 Å²	171	154 Å²	154	80%	0.799	77%	0.772	S	S	*	*			trans	-110	117.4	153.8	-75.3	-165	165.7	0	0	108.5	K260	E258-K260 PolarHBondContact O-N 3.27Å
259	V	37.1	Very low	34.3	Very low	121 Å²	121	147.3 Å²	147.3	73%	0.733	74%	0.738	S	S	*	*			trans	-78.6	109.5	169.4	177.1	0	0	0	0	106.7	T257	T257-V259 HydrophobicContact CG2-CG2 4.39Å
260	K	26.1	Very low	36.8	Very low	176 Å²	176	143.6 Å²	143.6	77%	0.765	72%	0.719	S	S	*	*			trans	-99.2	107.3	164.8	-98.1	179.6	175.1	172.4	0	108.9	E258 V262	E258-K260 PolarHBondContact O-N 3.27Å; K260-V262 PolarHBondContact O-N 2.61Å; K260-V262 VanDerWaalsContact O-N 3.16Å
261	D	27.5	Very low	39.3	Very low	158 Å²	158	136.7 Å²	136.7	85%	0.845	70%	0.698	S	S	*	*			trans	-56.1	114.1	165.1	-82.3	-51.2	0	0	0	109.6
262	V	31.6	Very low	41.9	Very low	136 Å²	136	132.5 Å²	132.5	82%	0.824	68%	0.68	S	S	*	*			trans	-92	104.4	165.5	179.1	0	0	0	0	107	K260 S264	K260-V262 PolarHBondContact O-N 2.61Å; K260-V262 VanDerWaalsContact O-N 3.16Å; V262-S264 PolarHBondContact O-N 3.31Å
263	S	27.6	Very low	44.7	Very low	102 Å²	102	124.5 Å²	124.5	71%	0.713	65%	0.645	S	S	*	*			trans	-62.1	131.2	178.7	52	0	0	0	0	111.3	S265	S263-S265 PolarHBondContact O-N 3.17Å
264	S	38.5	Very low	47.6	Very low	120 Å²	120	112.7 Å²	112.7	84%	0.839	60%	0.601	S	S	*	*			trans	-75.1	88.5	-175.1	42.1	0	0	0	0	112.9	V262	V262-S264 PolarHBondContact O-N 3.31Å
265	S	34.8	Very low	50.3	Low	104 Å²	104	104 Å²	104	73%	0.727	57%	0.574	S	S	*	*			trans	-96.2	87.3	161.5	50.4	0	0	0	0	110	S263 R267	S263-S265 PolarHBondContact O-N 3.17Å; S265-R267 PolarHBondContact O-N 3.19Å
266	K	47.3	Very low	53.2	Low	125 Å²	125	101 Å²	101	54%	0.543	54%	0.544	S	S	.	.			trans	-58.1	112.5	175.4	-75.4	-169.6	166	-156.5	0	109.9	D198	D198-K266 IonicContact OD1-NZ 2.8Å; D198-K266 PolarHBondContact OD1-NZ 2.93Å; D198-K266 IonicContact OD2-NZ 2.65Å
267	R	56	Low	56.1	Low	226 Å²	226	94.2 Å²	94.2	85%	0.853	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-66.5	152.6	169.6	-66.1	-176.2	-177.6	178.9	3	109.3	S265	S265-R267 PolarHBondContact O-N 3.19Å
268	I	64.5	Low	58.5	Low	89 Å²	89	88.5 Å²	88.5	46%	0.456	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-73	129.1	174.5	-61.7	161.8	0	0	0	107.5	K291	I268-K291 HydrophobicContact CG2-CG 4.33Å
269	P	76.5	Confident	61.1	Low	7 Å²	7	82 Å²	82	5%	0.045	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-60.5	160.7	179.9	-26.2	35.8	0	0	0	113.7	V197 I273 F274 Y294	V197-P269 HydrophobicContact CG1-CB 4.36Å; V197-P269 HydrophobicContact CG1-CG 3.91Å; P269-I273 HydrophobicContact CB-CD1 4.06Å; P269-F274 HydrophobicContact CB-CE2 4.14Å; P269-Y294 VanDerWaalsContact CD-CE1 3.46Å; P269-Y294 HydrophobicContact CG-CE1 3.75Å
270	N	77	Confident	63	Low	58 Å²	58	78.7 Å²	78.7	31%	0.31	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-61.8	136.4	-175.2	-162.8	-53	0	0	0	113	K272 I273	N270-K272 PolarHBondContact O-N 3.5Å; N270-K272 VanDerWaalsContact O-N 3.07Å; N270-K272 WeakPolarHBondContact OD1-CG 3.08Å; N270-K272 PolarHBondContact OD1-N 3.14Å; N270-I273 HydrophobicContact CB-CD1 4.39Å; N270-I273 VanDerWaalsContact O-CB 3.31Å; N270-I273 WeakPolarHBondContact O-CB 3.25Å; N270-I273 PolarHBondContact O-N 3.47Å
271	D	79.3	Confident	65.4	Low	71 Å²	71	70.5 Å²	70.5	38%	0.38	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-20	-176.2	-69.9	-16	0	0	0	114.1	I273 F274 T275 K291	D271-I273 PolarHBondContact O-N 2.95Å; D271-F274 PolarHBondContact O-N 3.3Å; D271-T275 WeakPolarHBondContact O-CB 3.35Å; D271-T275 PolarHBondContact O-N 3.19Å; D271-T275 PolarHBondContact O-OG1 2.94Å; D271-K291 WeakPolarHBondContact OD1-CD 3.36Å; D271-K291 WeakPolarHBondContact OD1-CE 3.25Å; D271-K291 IonicContact OD1-NZ 2.76Å; D271-K291 PolarHBondContact OD1-NZ 2.86Å; D271-K291 IonicContact OD2-NZ 3.88Å; D271-K291 PolarHBondContact OD2-NZ 2.83Å
272	K	78.8	Confident	67.5	Low	127 Å²	127	67.2 Å²	67.2	55%	0.552	37%	0.371	S	S	*	.	H	α-helix	trans	-58.6	-35.4	169.5	-64.7	172	-173	169.9	0	112.2	N270 A276	N270-K272 PolarHBondContact O-N 3.5Å; N270-K272 VanDerWaalsContact O-N 3.07Å; N270-K272 WeakPolarHBondContact OD1-CG 3.08Å; N270-K272 PolarHBondContact OD1-N 3.14Å; K272-A276 WeakPolarHBondContact O-CB 3.47Å; K272-A276 PolarHBondContact O-N 3.22Å
273	I	82.6	Confident	69.3	Low	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-68	-51.6	179.9	-63.7	167.4	0	0	0	110	W37 L200 P269 N270 D271 T275 A276 I277	W37-I273 HydrophobicContact CE3-CG1 4.29Å; W37-I273 HydrophobicContact CH2-CG1 4.21Å; W37-I273 HydrophobicContact CZ3-CD1 4.47Å; W37-I273 HydrophobicContact CZ3-CG1 3.82Å; L200-I273 HydrophobicContact CB-CD1 4.3Å; L200-I273 HydrophobicContact CB-CG1 4.43Å; L200-I273 HydrophobicContact CB-CG2 3.79Å; L200-I273 HydrophobicContact CD1-CG2 3.96Å; P269-I273 HydrophobicContact CB-CD1 4.06Å; N270-I273 HydrophobicContact CB-CD1 4.39Å; N270-I273 VanDerWaalsContact O-CB 3.31Å; N270-I273 WeakPolarHBondContact O-CB 3.25Å; N270-I273 PolarHBondContact O-N 3.47Å; D271-I273 PolarHBondContact O-N 2.95Å; I273-T275 VanDerWaalsContact C-N 3.31Å; I273-T275 PolarHBondContact O-N 3.36Å; I273-A276 PolarHBondContact O-N 3.06Å; I273-I277 HydrophobicContact CG2-CD1 3.79Å; I273-I277 HydrophobicContact CG2-CG1 4.48Å; I273-I277 WeakPolarHBondContact O-CG1 3.33Å; I273-I277 PolarHBondContact O-N 3.02Å
274	F	85.8	Confident	71.3	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-40.5	178.5	-65.4	-75.2	0	0	0	111.8	F193 V197 P269 D271 A276 I277 A278 T287 L290 K291 Y294	F193-F274 HydrophobicContact CZ-CE1 4.47Å; V197-F274 HydrophobicContact CG1-CE1 3.98Å; V197-F274 HydrophobicContact CG1-CZ 3.77Å; V197-F274 HydrophobicContact CG2-CE1 4.07Å; P269-F274 HydrophobicContact CB-CE2 4.14Å; D271-F274 PolarHBondContact O-N 3.3Å; F274-A276 PolarHBondContact O-N 3.26Å; F274-I277 PolarHBondContact O-N 3.42Å; F274-A278 WeakPolarHBondContact O-CB 3.47Å; F274-A278 PolarHBondContact O-N 3.45Å; F274-T287 HydrophobicContact CB-CG2 3.75Å; F274-L290 HydrophobicContact CD1-CB 3.98Å; F274-K291 HydrophobicContact CD1-CB 4.23Å; F274-K291 HydrophobicContact CD2-CB 4.28Å; F274-K291 HydrophobicContact CD2-CG 4.31Å; F274-K291 HydrophobicContact CE1-CB 4.39Å; F274-K291 HydrophobicContact CE2-CB 4.43Å; F274-K291 HydrophobicContact CE2-CG 4.17Å; F274-K291 HydrophobicContact CG-CB 4.18Å; F274-K291 HydrophobicContact CZ-CB 4.49Å; F274-K291 HydrophobicContact CZ-CG 4.45Å; F274-Y294 HydrophobicContact CE1-CD1 4.23Å; F274-Y294 HydrophobicContact CE1-CG 4.08Å; F274-Y294 AromaticContact CZ-CD1 3.69Å; F274-Y294 HydrophobicContact CZ-CD1 3.69Å; F274-Y294 HydrophobicContact CZ-CE1 4.38Å; F274-Y294 HydrophobicContact CZ-CG 4.02Å
275	T	83.9	Confident	73	Confident	53 Å²	53	56.9 Å²	56.9	33%	0.325	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-42.8	175.3	-52	0	0	0	0	112	L34 D271 I273 S279 T287	L34-T275 HydrophobicContact CD1-CG2 4.08Å; D271-T275 WeakPolarHBondContact O-CB 3.35Å; D271-T275 PolarHBondContact O-N 3.19Å; D271-T275 PolarHBondContact O-OG1 2.94Å; I273-T275 VanDerWaalsContact C-N 3.31Å; I273-T275 PolarHBondContact O-N 3.36Å; T275-S279 WeakPolarHBondContact O-CB 3.47Å; T275-S279 PolarHBondContact O-N 2.73Å; T275-S279 VanDerWaalsContact O-N 3.1Å; T275-S279 PolarHBondContact O-OG 2.9Å; T275-T287 WeakPolarHBondContact OG1-CG2 3.38Å
276	A	83.3	Confident	75.2	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-41.7	177	0	0	0	0	0	112.1	W37 V41 K272 I273 F274 S279 M280	W37-A276 HydrophobicContact CB-CB 3.78Å; V41-A276 HydrophobicContact CG2-CB 3.93Å; K272-A276 WeakPolarHBondContact O-CB 3.47Å; K272-A276 PolarHBondContact O-N 3.22Å; I273-A276 PolarHBondContact O-N 3.06Å; F274-A276 PolarHBondContact O-N 3.26Å; A276-S279 PolarHBondContact O-N 2.91Å; A276-S279 PolarHBondContact O-OG 3.2Å; A276-M280 WeakPolarHBondContact O-CG 3.37Å; A276-M280 PolarHBondContact O-N 3.19Å
277	I	82.9	Confident	76.8	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-66	-47.8	176.9	-63.5	168.6	0	0	0	111.1	V41 F193 V197 L200 I273 F274 S279 M280 F281 L290	V41-I277 HydrophobicContact CG1-CG1 4.21Å; V41-I277 HydrophobicContact CG2-CG1 4.01Å; F193-I277 HydrophobicContact CD2-CG2 4.26Å; F193-I277 HydrophobicContact CE2-CG2 4.08Å; V197-I277 HydrophobicContact CG2-CD1 3.61Å; L200-I277 HydrophobicContact CD1-CD1 3.99Å; L200-I277 HydrophobicContact CD1-CG1 4.21Å; I273-I277 HydrophobicContact CG2-CD1 3.79Å; I273-I277 HydrophobicContact CG2-CG1 4.48Å; I273-I277 WeakPolarHBondContact O-CG1 3.33Å; I273-I277 PolarHBondContact O-N 3.02Å; F274-I277 PolarHBondContact O-N 3.42Å; I277-S279 PolarHBondContact O-N 3Å; I277-M280 CarbonylContact O-C 3.59Å; I277-M280 PolarHBondContact O-N 3.16Å; I277-F281 HydrophobicContact CG2-CD2 3.88Å; I277-F281 HydrophobicContact CG2-CE2 4.49Å; I277-F281 PolarHBondContact O-N 3.02Å; I277-L290 HydrophobicContact CB-CD1 4.28Å; I277-L290 HydrophobicContact CG2-CD1 3.93Å
278	A	82.8	Confident	77.9	Confident	14 Å²	14	45.8 Å²	45.8	12%	0.116	24%	0.243	C	C	.	.	H	α-helix	trans	-54.3	-41.2	175.5	0	0	0	0	0	111.2	F274 M280 F281 P282 L290	F274-A278 WeakPolarHBondContact O-CB 3.47Å; F274-A278 PolarHBondContact O-N 3.45Å; A278-M280 VanDerWaalsContact C-N 3.31Å; A278-M280 PolarHBondContact O-N 3.46Å; A278-F281 CarbonylContact O-C 3.5Å; A278-F281 VanDerWaalsContact O-C 3.26Å; A278-F281 PolarHBondContact O-N 3.46Å; A278-P282 VanDerWaalsContact O-CA 3.32Å; A278-P282 WeakPolarHBondContact O-CA 3.39Å; A278-P282 VanDerWaalsContact O-N 3.12Å; A278-L290 HydrophobicContact CB-CD1 3.81Å
279	S	79.9	Confident	78.7	Confident	35 Å²	35	46.3 Å²	46.3	25%	0.245	24%	0.244	C	C	.	.	H	α-helix	trans	-71.7	-18.8	178.4	80.3	0	0	0	0	115.4	R38 T275 A276 I277	R38-S279 PolarHBondContact NE-OG 2.85Å; T275-S279 WeakPolarHBondContact O-CB 3.47Å; T275-S279 PolarHBondContact O-N 2.73Å; T275-S279 VanDerWaalsContact O-N 3.1Å; T275-S279 PolarHBondContact O-OG 2.9Å; A276-S279 PolarHBondContact O-N 2.91Å; A276-S279 PolarHBondContact O-OG 3.2Å; I277-S279 PolarHBondContact O-N 3Å
280	M	76	Confident	78.9	Confident	50 Å²	50	46 Å²	46	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-93.9	-24.3	173.4	-72.5	-66	-56.6	0	0	112.4	R38 V41 K42 A276 I277 A278	R38-M280 HydrophobicContact CB-CG 4.4Å; R38-M280 HydrophobicContact CB-SD 4.03Å; R38-M280 HydrophobicContact CG-CG 4.13Å; R38-M280 HydrophobicContact CG-SD 4.08Å; V41-M280 HydrophobicContact CG1-CB 4.27Å; V41-M280 HydrophobicContact CG1-CG 3.99Å; K42-M280 HydrophobicContact CB-CE 4.17Å; K42-M280 HydrophobicContact CD-CE 4.37Å; K42-M280 HydrophobicContact CG-CE 4.43Å; A276-M280 WeakPolarHBondContact O-CG 3.37Å; A276-M280 PolarHBondContact O-N 3.19Å; I277-M280 CarbonylContact O-C 3.59Å; I277-M280 PolarHBondContact O-N 3.16Å; A278-M280 VanDerWaalsContact C-N 3.31Å; A278-M280 PolarHBondContact O-N 3.46Å
281	F	76.7	Confident	79.3	Confident	5 Å²	5	45.7 Å²	45.7	2%	0.022	24%	0.237	C	C	.	.			trans	-132.9	65	-179.5	-55.4	-80	0	0	0	112.1	V41 Y45 G186 I188 L196 I277 A278 Y283 K284	V41-F281 HydrophobicContact CG1-CE2 4.36Å; Y45-F281 HydrophobicContact CD1-CZ 4.47Å; Y45-F281 AromaticContact CD2-CZ 3.95Å; Y45-F281 HydrophobicContact CD2-CZ 3.95Å; Y45-F281 HydrophobicContact CE2-CE1 4.44Å; Y45-F281 HydrophobicContact CE2-CZ 4.07Å; Y45-F281 HydrophobicContact CG-CZ 4.16Å; G186-F281 WeakPolarHBondContact O-CE1 3.16Å; I188-F281 HydrophobicContact CB-CD1 4.27Å; I188-F281 HydrophobicContact CB-CE1 4.02Å; I188-F281 HydrophobicContact CB-CZ 4.31Å; I188-F281 HydrophobicContact CD1-CD2 4.42Å; I188-F281 HydrophobicContact CD1-CE2 3.99Å; I188-F281 HydrophobicContact CD1-CZ 4.09Å; I188-F281 HydrophobicContact CG2-CD1 3.84Å; I188-F281 HydrophobicContact CG2-CE1 4.12Å; I188-F281 HydrophobicContact CG2-CG 4.05Å; L196-F281 HydrophobicContact CD2-CE2 4.38Å; I277-F281 HydrophobicContact CG2-CD2 3.88Å; I277-F281 HydrophobicContact CG2-CE2 4.49Å; I277-F281 PolarHBondContact O-N 3.02Å; A278-F281 CarbonylContact O-C 3.5Å; A278-F281 VanDerWaalsContact O-C 3.26Å; A278-F281 PolarHBondContact O-N 3.46Å; F281-Y283 HydrophobicContact CB-CE1 4.09Å; F281-Y283 HydrophobicContact CD1-CE1 4.01Å; F281-Y283 PolarHBondContact O-N 3.11Å; F281-K284 HydrophobicContact CB-CB 4.38Å; F281-K284 HydrophobicContact CB-CG 4.25Å; F281-K284 PolarHBondContact O-N 3.4Å
282	P	71.1	Confident	79.3	Confident	89 Å²	89	48.3 Å²	48.3	58%	0.578	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.2	-23.6	-172.4	-26.7	35.9	0	0	0	115.1	A278 K284	A278-P282 VanDerWaalsContact O-CA 3.32Å; A278-P282 WeakPolarHBondContact O-CA 3.39Å; A278-P282 VanDerWaalsContact O-N 3.12Å; P282-K284 VanDerWaalsContact C-N 3.28Å; P282-K284 PolarHBondContact O-N 2.99Å
283	Y	69.8	Low	79.5	Confident	84 Å²	84	45 Å²	45	33%	0.329	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-74.7	-10.9	177.3	69	-85.9	0	0	0	114.6	I188 F281	I188-Y283 PolarHBondContact N-OH 3.03Å; F281-Y283 HydrophobicContact CB-CE1 4.09Å; F281-Y283 HydrophobicContact CD1-CE1 4.01Å; F281-Y283 PolarHBondContact O-N 3.11Å
284	K	70.3	Confident	79.5	Confident	43 Å²	43	45.2 Å²	45.2	19%	0.187	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-88.6	-8.5	179.9	-76.7	-65.1	-161.6	172.4	0	113.6	I188 D190 F281 P282 L290	I188-K284 HydrophobicContact CG2-CD 4.3Å; I188-K284 VanDerWaalsContact CG2-CE 3.49Å; I188-K284 HydrophobicContact CG2-CG 3.82Å; I188-K284 WeakPolarHBondContact O-CE 3.26Å; I188-K284 PolarHBondContact O-NZ 3.38Å; D190-K284 IonicContact OD1-NZ 3.26Å; D190-K284 PolarHBondContact OD1-NZ 2.77Å; F281-K284 HydrophobicContact CB-CB 4.38Å; F281-K284 HydrophobicContact CB-CG 4.25Å; F281-K284 PolarHBondContact O-N 3.4Å; P282-K284 VanDerWaalsContact C-N 3.28Å; P282-K284 PolarHBondContact O-N 2.99Å; K284-L290 HydrophobicContact CB-CD2 3.83Å; K284-L290 WeakPolarHBondContact O-CD2 3.29Å
285	G	73.8	Confident	79.4	Confident	13 Å²	13	49.6 Å²	49.6	13%	0.134	25%	0.253	C	S	.	.			trans	123	175.9	176.2	0	0	0	0	0	114	E289	G285-E289 WeakPolarHBondContact CA-OE2 3.47Å
286	T	81.4	Confident	79.1	Confident	65 Å²	65	52.1 Å²	52.1	40%	0.399	26%	0.264	S	S	.	.			trans	-68.4	168.6	172.6	60.6	0	0	0	0	112.3	E288 E289 L290	T286-E288 PolarHBondContact O-N 3.36Å; T286-E289 WeakPolarHBondContact CB-OE1 3.34Å; T286-E289 VanDerWaalsContact CG2-OE1 3.28Å; T286-E289 WeakPolarHBondContact CG2-OE1 3.42Å; T286-E289 PolarHBondContact N-OE2 3.49Å; T286-E289 VanDerWaalsContact N-OE2 3.07Å; T286-E289 PolarHBondContact O-N 3.1Å; T286-E289 WeakPolarHBondContact OG1-CG 3.36Å; T286-E289 PolarHBondContact OG1-N 2.71Å; T286-E289 PolarHBondContact OG1-OE1 2.74Å; T286-L290 WeakPolarHBondContact O-CG 3.33Å; T286-L290 PolarHBondContact O-N 3.32Å
287	T	80.9	Confident	79	Confident	25 Å²	25	54.7 Å²	54.7	15%	0.153	28%	0.278	C	S	.	.	H	α-helix	trans	-53	-41.3	176.4	-60.3	0	0	0	0	111.6	F274 T275 K291	F274-T287 HydrophobicContact CB-CG2 3.75Å; T275-T287 WeakPolarHBondContact OG1-CG2 3.38Å; T287-K291 WeakPolarHBondContact O-CB 3.32Å; T287-K291 PolarHBondContact O-N 3.04Å; T287-K291 VanDerWaalsContact O-N 3.09Å
288	E	79	Confident	78.7	Confident	132 Å²	132	57.1 Å²	57.1	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-69	-47.1	-178.6	-67.7	63.3	-143.3	0	0	111.4	T286 L290 K291 E292	T286-E288 PolarHBondContact O-N 3.36Å; E288-L290 PolarHBondContact O-N 2.74Å; E288-K291 WeakPolarHBondContact O-CB 3.48Å; E288-K291 PolarHBondContact O-N 2.84Å; E288-E292 PolarHBondContact O-N 3.25Å
289	E	80.7	Confident	77.9	Confident	101 Å²	101	61.8 Å²	61.8	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176	-72.6	154.1	-131.5	0	0	111.9	G285 T286 K291 E292 K293	G285-E289 WeakPolarHBondContact CA-OE2 3.47Å; T286-E289 WeakPolarHBondContact CB-OE1 3.34Å; T286-E289 VanDerWaalsContact CG2-OE1 3.28Å; T286-E289 WeakPolarHBondContact CG2-OE1 3.42Å; T286-E289 PolarHBondContact N-OE2 3.49Å; T286-E289 VanDerWaalsContact N-OE2 3.07Å; T286-E289 PolarHBondContact O-N 3.1Å; T286-E289 WeakPolarHBondContact OG1-CG 3.36Å; T286-E289 PolarHBondContact OG1-N 2.71Å; T286-E289 PolarHBondContact OG1-OE1 2.74Å; E289-K291 VanDerWaalsContact C-N 3.33Å; E289-K291 PolarHBondContact O-N 3Å; E289-E292 PolarHBondContact O-N 3.36Å; E289-K293 WeakPolarHBondContact O-CB 3.17Å; E289-K293 PolarHBondContact O-N 3.04Å
290	L	82.2	Confident	76.9	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-37.6	175.9	-67.9	-175.5	0	0	0	112.1	F193 F274 I277 A278 K284 T286 E288 Y294	F193-L290 HydrophobicContact CE2-CB 4.27Å; F193-L290 HydrophobicContact CE2-CD1 4.38Å; F193-L290 HydrophobicContact CE2-CD2 3.89Å; F193-L290 HydrophobicContact CE2-CG 4.42Å; F193-L290 HydrophobicContact CZ-CB 3.97Å; F193-L290 HydrophobicContact CZ-CD2 3.98Å; F193-L290 HydrophobicContact CZ-CG 4.48Å; F193-L290 WeakPolarHBondContact CZ-O 3.39Å; F274-L290 HydrophobicContact CD1-CB 3.98Å; I277-L290 HydrophobicContact CB-CD1 4.28Å; I277-L290 HydrophobicContact CG2-CD1 3.93Å; A278-L290 HydrophobicContact CB-CD1 3.81Å; K284-L290 HydrophobicContact CB-CD2 3.83Å; K284-L290 WeakPolarHBondContact O-CD2 3.29Å; T286-L290 WeakPolarHBondContact O-CG 3.33Å; T286-L290 PolarHBondContact O-N 3.32Å; E288-L290 PolarHBondContact O-N 2.74Å; L290-Y294 WeakPolarHBondContact O-CB 3.33Å; L290-Y294 PolarHBondContact O-N 3.48Å
291	K	83.9	Confident	75.9	Confident	51 Å²	51	68.8 Å²	68.8	22%	0.222	36%	0.357	C	S	.	.	H	α-helix	trans	-69.7	-37.4	177.7	-174	177.6	-177.4	177.1	0	111.9	I268 D271 F274 T287 E288 E289 K295	I268-K291 HydrophobicContact CG2-CG 4.33Å; D271-K291 WeakPolarHBondContact OD1-CD 3.36Å; D271-K291 WeakPolarHBondContact OD1-CE 3.25Å; D271-K291 IonicContact OD1-NZ 2.76Å; D271-K291 PolarHBondContact OD1-NZ 2.86Å; D271-K291 IonicContact OD2-NZ 3.88Å; D271-K291 PolarHBondContact OD2-NZ 2.83Å; F274-K291 HydrophobicContact CD1-CB 4.23Å; F274-K291 HydrophobicContact CD2-CB 4.28Å; F274-K291 HydrophobicContact CD2-CG 4.31Å; F274-K291 HydrophobicContact CE1-CB 4.39Å; F274-K291 HydrophobicContact CE2-CB 4.43Å; F274-K291 HydrophobicContact CE2-CG 4.17Å; F274-K291 HydrophobicContact CG-CB 4.18Å; F274-K291 HydrophobicContact CZ-CB 4.49Å; F274-K291 HydrophobicContact CZ-CG 4.45Å; T287-K291 WeakPolarHBondContact O-CB 3.32Å; T287-K291 PolarHBondContact O-N 3.04Å; T287-K291 VanDerWaalsContact O-N 3.09Å; E288-K291 WeakPolarHBondContact O-CB 3.48Å; E288-K291 PolarHBondContact O-N 2.84Å; E289-K291 VanDerWaalsContact C-N 3.33Å; E289-K291 PolarHBondContact O-N 3Å; K291-K295 WeakPolarHBondContact O-CG 3.36Å; K291-K295 PolarHBondContact O-N 3.15Å
292	E	80	Confident	74.7	Confident	125 Å²	125	70.1 Å²	70.1	58%	0.584	37%	0.372	S	S	*	.	H	α-helix	trans	-67.6	-51.3	172.5	-171.2	163.2	-141.8	0	0	111	E288 E289 Y294 K295 D296	E288-E292 PolarHBondContact O-N 3.25Å; E289-E292 PolarHBondContact O-N 3.36Å; E292-Y294 PolarHBondContact O-N 2.94Å; E292-K295 WeakPolarHBondContact O-CA 3.41Å; E292-K295 WeakPolarHBondContact O-CB 3.44Å; E292-K295 PolarHBondContact O-N 3.41Å; E292-D296 PolarHBondContact O-N 3.3Å; E292-D296 VanDerWaalsContact O-N 3.11Å
293	K	81.8	Confident	74	Confident	59 Å²	59	72.3 Å²	72.3	26%	0.257	39%	0.386	S	S	.	.	H	α-helix	trans	-55.4	-37.1	176.4	-175.9	169.9	-174.9	168.4	0	113.4	D190 F193 E289 D296 L297	D190-K293 VanDerWaalsContact CG-CE 3.43Å; D190-K293 IonicContact OD1-NZ 2.94Å; D190-K293 PolarHBondContact OD1-NZ 3.46Å; D190-K293 WeakPolarHBondContact OD2-CE 3.23Å; D190-K293 IonicContact OD2-NZ 3.47Å; D190-K293 PolarHBondContact OD2-NZ 2.74Å; F193-K293 HydrophobicContact CE1-CG 4.31Å; E289-K293 WeakPolarHBondContact O-CB 3.17Å; E289-K293 PolarHBondContact O-N 3.04Å; K293-D296 PolarHBondContact O-N 3.18Å; K293-L297 HydrophobicContact CG-CD1 4.03Å; K293-L297 WeakPolarHBondContact O-CB 3.45Å; K293-L297 VanDerWaalsContact O-CG 3.23Å; K293-L297 WeakPolarHBondContact O-CG 3.48Å; K293-L297 PolarHBondContact O-N 3.1Å
294	Y	84.6	Confident	73.3	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.016	40%	0.396	C	S	.	.	H	α-helix	trans	-69.3	-31.8	176	176.9	-107	0	0	0	113.2	K194 V197 D198 P269 F274 L290 E292 Q298	K194-Y294 HydrophobicContact CG-CE2 4.24Å; V197-Y294 HydrophobicContact CB-CD2 3.77Å; V197-Y294 HydrophobicContact CB-CE2 3.65Å; V197-Y294 HydrophobicContact CB-CG 4.43Å; V197-Y294 HydrophobicContact CG1-CD1 3.98Å; V197-Y294 HydrophobicContact CG1-CD2 3.62Å; V197-Y294 HydrophobicContact CG1-CE1 3.78Å; V197-Y294 HydrophobicContact CG1-CE2 3.43Å; V197-Y294 VanDerWaalsContact CG1-CE2 3.43Å; V197-Y294 HydrophobicContact CG1-CG 3.89Å; V197-Y294 HydrophobicContact CG2-CD2 4.23Å; D198-Y294 PolarHBondContact OD1-OH 3.48Å; P269-Y294 VanDerWaalsContact CD-CE1 3.46Å; P269-Y294 HydrophobicContact CG-CE1 3.75Å; F274-Y294 HydrophobicContact CE1-CD1 4.23Å; F274-Y294 HydrophobicContact CE1-CG 4.08Å; F274-Y294 AromaticContact CZ-CD1 3.69Å; F274-Y294 HydrophobicContact CZ-CD1 3.69Å; F274-Y294 HydrophobicContact CZ-CE1 4.38Å; F274-Y294 HydrophobicContact CZ-CG 4.02Å; L290-Y294 WeakPolarHBondContact O-CB 3.33Å; L290-Y294 PolarHBondContact O-N 3.48Å; E292-Y294 PolarHBondContact O-N 2.94Å; Y294-Q298 HydrophobicContact CE1-CG 4.3Å; Y294-Q298 HydrophobicContact CE2-CG 4.32Å; Y294-Q298 WeakPolarHBondContact O-CG 3.38Å; Y294-Q298 PolarHBondContact O-N 3.32Å
295	K	81.8	Confident	72.4	Confident	92 Å²	92	75.9 Å²	75.9	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-65.8	-48.4	171.8	-66.6	166.3	-177.1	173.9	0	110.6	K291 E292 L297 Q298 E299	K291-K295 WeakPolarHBondContact O-CG 3.36Å; K291-K295 PolarHBondContact O-N 3.15Å; E292-K295 WeakPolarHBondContact O-CA 3.41Å; E292-K295 WeakPolarHBondContact O-CB 3.44Å; E292-K295 PolarHBondContact O-N 3.41Å; K295-L297 VanDerWaalsContact C-N 3.28Å; K295-L297 PolarHBondContact O-N 3.02Å; K295-Q298 WeakPolarHBondContact O-CB 3.47Å; K295-Q298 PolarHBondContact O-N 3.34Å; K295-E299 PolarHBondContact O-N 3.11Å
296	D	78.9	Confident	71.5	Confident	105 Å²	105	79.3 Å²	79.3	56%	0.561	43%	0.426	S	S	*	.	H	α-helix	trans	-57.5	-43.2	178.3	-67.5	-15	0	0	0	111.5	E292 K293 Q298 E299	E292-D296 PolarHBondContact O-N 3.3Å; E292-D296 VanDerWaalsContact O-N 3.11Å; K293-D296 PolarHBondContact O-N 3.18Å; D296-Q298 VanDerWaalsContact C-N 3.27Å; D296-Q298 PolarHBondContact O-N 3.17Å; D296-E299 PolarHBondContact O-N 3.39Å
297	L	80.7	Confident	70.4	Confident	55 Å²	55	80 Å²	80	29%	0.288	43%	0.431	S	S	.	.	H	α-helix	trans	-70.4	-16.3	177.4	-71.1	171.4	0	0	0	114.2	D190 F193 K194 K293 K295	D190-L297 HydrophobicContact CB-CD1 4.28Å; F193-L297 HydrophobicContact CD1-CD1 3.83Å; F193-L297 HydrophobicContact CE1-CD1 4.2Å; K194-L297 HydrophobicContact CD-CB 4.34Å; K194-L297 WeakPolarHBondContact CE-O 3.41Å; K194-L297 PolarHBondContact NZ-O 2.61Å; K293-L297 HydrophobicContact CG-CD1 4.03Å; K293-L297 WeakPolarHBondContact O-CB 3.45Å; K293-L297 VanDerWaalsContact O-CG 3.23Å; K293-L297 WeakPolarHBondContact O-CG 3.48Å; K293-L297 PolarHBondContact O-N 3.1Å; K295-L297 VanDerWaalsContact C-N 3.28Å; K295-L297 PolarHBondContact O-N 3.02Å
298	Q	77	Confident	69.4	Low	52 Å²	52	85.3 Å²	85.3	24%	0.243	47%	0.466	C	S	.	.	H	α-helix	trans	-81.6	-27.3	174.2	-85.3	-164.4	75.1	0	0	113.1	Y294 K295 D296	Y294-Q298 HydrophobicContact CE1-CG 4.3Å; Y294-Q298 HydrophobicContact CE2-CG 4.32Å; Y294-Q298 WeakPolarHBondContact O-CG 3.38Å; Y294-Q298 PolarHBondContact O-N 3.32Å; K295-Q298 WeakPolarHBondContact O-CB 3.47Å; K295-Q298 PolarHBondContact O-N 3.34Å; D296-Q298 VanDerWaalsContact C-N 3.27Å; D296-Q298 PolarHBondContact O-N 3.17Å
299	E	66.5	Low	68.7	Low	112 Å²	112	87.1 Å²	87.1	52%	0.523	48%	0.479	S	S	.	.	S	Bend	trans	-70.2	139.2	-177.2	-63.2	-154	143	0	0	112.3	K295 D296 K305	K295-E299 PolarHBondContact O-N 3.11Å; D296-E299 PolarHBondContact O-N 3.39Å; E299-K305 VanDerWaalsContact CD-NZ 3.27Å; E299-K305 IonicContact OE1-NZ 2.79Å; E299-K305 IonicContact OE2-NZ 3.94Å; E299-K305 PolarHBondContact OE2-NZ 3.41Å
300	P	57.8	Low	68.5	Low	98 Å²	98	85.3 Å²	85.3	64%	0.636	48%	0.477	S	S	*	.			trans	-68.2	146	177.6	27.1	-34	0	0	0	111.2	G302	P300-G302 VanDerWaalsContact C-N 3.34Å; P300-G302 PolarHBondContact O-N 2.87Å
301	P	55.1	Low	68.5	Low	134 Å²	134	87.5 Å²	87.5	87%	0.87	49%	0.49	S	S	*	.			trans	-70.2	87.9	179.5	28.9	-34.8	0	0	0	110.8
302	G	52.6	Low	68.5	Low	32 Å²	32	86 Å²	86	33%	0.33	49%	0.486	S	S	.	.			trans	-70.6	152.2	169.2	0	0	0	0	0	111.1	P300 V304	P300-G302 VanDerWaalsContact C-N 3.34Å; P300-G302 PolarHBondContact O-N 2.87Å; G302-V304 PolarHBondContact O-N 3.24Å; G302-V304 VanDerWaalsContact O-N 3.1Å
303	P	55.1	Low	68.9	Low	135 Å²	135	84.7 Å²	84.7	88%	0.877	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.3	-168.3	21.2	-32.8	0	0	0	114.6
304	V	55.2	Low	69.2	Low	91 Å²	91	84.5 Å²	84.5	55%	0.552	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.4	88.3	165.4	-173.1	0	0	0	0	109.3	G302 L306 F318	G302-V304 PolarHBondContact O-N 3.24Å; G302-V304 VanDerWaalsContact O-N 3.1Å; V304-L306 HydrophobicContact CG1-CG 4.13Å; V304-F318 HydrophobicContact CG2-CD2 4.37Å; V304-F318 HydrophobicContact CG2-CE2 4.06Å
305	K	51.1	Low	69.5	Low	112 Å²	112	92.1 Å²	92.1	49%	0.487	53%	0.525	S	S	.	.			trans	-91.5	95.8	161.4	-81.6	-168.4	172.1	-173.1	0	109.6	E299	E299-K305 VanDerWaalsContact CD-NZ 3.27Å; E299-K305 IonicContact OE1-NZ 2.79Å; E299-K305 IonicContact OE2-NZ 3.94Å; E299-K305 PolarHBondContact OE2-NZ 3.41Å
306	L	54.3	Low	69.7	Low	85 Å²	85	88.2 Å²	88.2	45%	0.445	51%	0.511	S	S	.	.			trans	-69.7	140.7	158.6	-71.8	173.6	0	0	0	108.4	V304 C310 P312	V304-L306 HydrophobicContact CG1-CG 4.13Å; L306-C310 HydrophobicContact CB-CB 3.83Å; L306-C310 HydrophobicContact CD2-CB 4.33Å; L306-C310 HydrophobicContact CG-CB 4.48Å; L306-P312 HydrophobicContact CD1-CB 3.99Å
307	P	60.2	Low	70	Confident	79 Å²	79	89.2 Å²	89.2	51%	0.513	52%	0.523	S	S	.	.			trans	-51.8	156.2	173.5	-28.5	34.6	0	0	0	112.6	L309 C310	P307-L309 PolarHBondContact O-N 2.77Å; P307-C310 WeakPolarHBondContact O-CB 3.49Å; P307-C310 PolarHBondContact O-N 2.79Å
308	P	58.4	Low	70.1	Confident	137 Å²	137	92.5 Å²	92.5	89%	0.89	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-25.2	-172.7	-27.5	35.3	0	0	0	115.6
309	L	64.6	Low	70.6	Confident	169 Å²	169	91.1 Å²	91.1	89%	0.885	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.3	179.4	-70.7	160.7	0	0	0	113.8	P307	P307-L309 PolarHBondContact O-N 2.77Å
310	C	75.9	Confident	71.6	Confident	64 Å²	64	92.6 Å²	92.6	43%	0.432	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-88	124.9	-178.3	-72.6	0	0	0	0	111.4	L306 P307	L306-C310 HydrophobicContact CB-CB 3.83Å; L306-C310 HydrophobicContact CD2-CB 4.33Å; L306-C310 HydrophobicContact CG-CB 4.48Å; P307-C310 WeakPolarHBondContact O-CB 3.49Å; P307-C310 PolarHBondContact O-N 2.79Å
311	T	82.7	Confident	73.1	Confident	46 Å²	46	90.3 Å²	90.3	28%	0.282	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-81.9	129	176.7	-64.2	0	0	0	0	110	V322 Q326	T311-V322 HydrophobicContact CG2-CG1 4.29Å; T311-V322 HydrophobicContact CG2-CG2 3.88Å; T311-Q326 PolarHBondContact OG1-O 3.34Å
312	P	84.9	Confident	74.8	Confident	20 Å²	20	84.8 Å²	84.8	13%	0.13	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-64.6	153.2	175.6	26.8	-33.9	0	0	0	111.8	L306 L314 K320	L306-P312 HydrophobicContact CD1-CB 3.99Å; P312-L314 PolarHBondContact O-N 2.97Å; P312-K320 HydrophobicContact CG-CB 4.04Å; P312-K320 HydrophobicContact CG-CD 4.29Å; P312-K320 HydrophobicContact CG-CG 4.05Å
313	N	87.9	Confident	76.5	Confident	98 Å²	98	88.5 Å²	88.5	52%	0.524	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-63.5	133.8	-179	61.2	-40.4	0	0	0	111.7	D315 G316	N313-D315 VanDerWaalsContact C-N 3.28Å; N313-D315 PolarHBondContact O-N 2.74Å; N313-G316 VanDerWaalsContact ND2-CA 3.31Å; N313-G316 WeakPolarHBondContact ND2-CA 3.49Å; N313-G316 PolarHBondContact ND2-N 3.35Å; N313-G316 PolarHBondContact O-N 2.72Å; N313-G316 VanDerWaalsContact O-N 3.08Å
314	L	88.6	Confident	78.1	Confident	54 Å²	54	85 Å²	85	28%	0.283	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-34.4	-179.5	-68.4	172.8	0	0	0	112.2	P312 G316 A319 A464	P312-L314 PolarHBondContact O-N 2.97Å; L314-G316 PolarHBondContact O-N 2.86Å; L314-A319 WeakPolarHBondContact O-CB 3.32Å; L314-A464 VanDerWaalsContact O-CB 3.25Å; L314-A464 WeakPolarHBondContact O-CB 3.36Å
315	D	89.8	Confident	79.6	Confident	164 Å²	164	85.8 Å²	85.8	88%	0.877	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	5.1	177.2	-45.2	-67.6	0	0	0	113.2	N313	N313-D315 VanDerWaalsContact C-N 3.28Å; N313-D315 PolarHBondContact O-N 2.74Å
316	G	86.6	Confident	81.4	Confident	11 Å²	11	85 Å²	85	11%	0.113	46%	0.462	C	S	.	.	S	Bend	trans	-95.9	156.2	-174.8	0	0	0	0	0	114.2	N313 L314 F318 A319	N313-G316 VanDerWaalsContact ND2-CA 3.31Å; N313-G316 WeakPolarHBondContact ND2-CA 3.49Å; N313-G316 PolarHBondContact ND2-N 3.35Å; N313-G316 PolarHBondContact O-N 2.72Å; N313-G316 VanDerWaalsContact O-N 3.08Å; L314-G316 PolarHBondContact O-N 2.86Å; G316-F318 PolarHBondContact O-N 3.36Å; G316-F318 VanDerWaalsContact O-N 3.07Å; G316-A319 WeakPolarHBondContact O-CB 3.35Å; G316-A319 PolarHBondContact O-N 3.07Å; G316-A319 VanDerWaalsContact O-N 3.16Å
317	P	84.5	Confident	83.1	Confident	125 Å²	125	81.7 Å²	81.7	81%	0.812	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.6	176.1	29.3	-36.1	0	0	0	113.6
318	F	83.6	Confident	84.5	Confident	124 Å²	124	79.3 Å²	79.3	54%	0.544	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	17.8	178.9	-53.2	-63.4	0	0	0	113.2	V304 G316 K320	V304-F318 HydrophobicContact CG2-CD2 4.37Å; V304-F318 HydrophobicContact CG2-CE2 4.06Å; G316-F318 PolarHBondContact O-N 3.36Å; G316-F318 VanDerWaalsContact O-N 3.07Å; F318-K320 PolarHBondContact O-N 3.13Å
319	A	86.9	Confident	86	Confident	24 Å²	24	77.4 Å²	77.4	20%	0.198	41%	0.408	C	S	.	.			trans	-58.6	121.8	179.5	0	0	0	0	0	112	L314 G316 A464	L314-A319 WeakPolarHBondContact O-CB 3.32Å; G316-A319 WeakPolarHBondContact O-CB 3.35Å; G316-A319 PolarHBondContact O-N 3.07Å; G316-A319 VanDerWaalsContact O-N 3.16Å; A319-A464 HydrophobicContact CB-CB 3.92Å
320	K	87.4	Confident	87.2	Confident	143 Å²	143	72.7 Å²	72.7	62%	0.622	39%	0.389	S	S	*	.			trans	-102.5	152.2	178.9	-68	-178.8	-178	177.4	0	110.9	P312 F318 V322 S467	P312-K320 HydrophobicContact CG-CB 4.04Å; P312-K320 HydrophobicContact CG-CD 4.29Å; P312-K320 HydrophobicContact CG-CG 4.05Å; F318-K320 PolarHBondContact O-N 3.13Å; K320-V322 HydrophobicContact CB-CG1 4.43Å; K320-V322 PolarHBondContact O-N 3.17Å; K320-S467 PolarHBondContact O-OG 3.39Å; K320-S467 VanDerWaalsContact O-OG 3.06Å
321	S	90.1	Very high	88	Confident	49 Å²	49	75.1 Å²	75.1	34%	0.343	39%	0.392	S	S	.	.			trans	-70.1	114.5	169.2	-174.9	0	0	0	0	110	E466 S467 R470	S321-E466 WeakPolarHBondContact CB-OE2 3.36Å; S321-E466 PolarHBondContact OG-OE2 3.26Å; S321-S467 WeakPolarHBondContact CA-OG 3.49Å; S321-R470 PolarHBondContact OG-NH1 2.94Å; S321-R470 PolarHBondContact OG-NH2 3.08Å
322	V	89.9	Confident	88.3	Confident	18 Å²	18	74.4 Å²	74.4	11%	0.109	39%	0.386	C	S	.	.			trans	-130.1	168.6	-176.7	-69.8	0	0	0	0	111.5	T311 K320 Q326 S327 S467 R470	T311-V322 HydrophobicContact CG2-CG1 4.29Å; T311-V322 HydrophobicContact CG2-CG2 3.88Å; K320-V322 HydrophobicContact CB-CG1 4.43Å; K320-V322 PolarHBondContact O-N 3.17Å; V322-Q326 HydrophobicContact CB-CB 4.23Å; V322-S327 VanDerWaalsContact CG2-OG 3.3Å; V322-S327 WeakPolarHBondContact CG2-OG 3.49Å; V322-S467 WeakPolarHBondContact CG2-OG 3.17Å; V322-S467 PolarHBondContact N-OG 3.1Å; V322-R470 WeakPolarHBondContact O-CD 3.35Å; V322-R470 PolarHBondContact O-NH1 3.13Å
323	Q	89.8	Confident	88.4	Confident	110 Å²	110	75.6 Å²	75.6	51%	0.514	39%	0.393	S	S	.	.			trans	-79.3	152.8	177.4	-69.8	-62.2	-25.6	0	0	111.8	E325 Q326 S327	Q323-E325 PolarHBondContact O-N 3.36Å; Q323-E325 VanDerWaalsContact O-N 3.12Å; Q323-Q326 HydrophobicContact CB-CG 4.44Å; Q323-Q326 VanDerWaalsContact N-OE1 3.07Å; Q323-Q326 WeakPolarHBondContact O-CA 3.38Å; Q323-Q326 WeakPolarHBondContact O-CB 3.28Å; Q323-Q326 PolarHBondContact O-N 3.24Å; Q323-S327 PolarHBondContact O-N 2.81Å; Q323-S327 PolarHBondContact O-OG 2.65Å
324	R	87.7	Confident	88.6	Confident	63 Å²	63	74.6 Å²	74.6	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-46.7	-46.7	179.3	167.7	179.8	168.1	109.9	2.4	113.1	Q326 S327 L328 V471 T475	R324-Q326 VanDerWaalsContact C-N 3.3Å; R324-Q326 PolarHBondContact O-N 2.66Å; R324-S327 PolarHBondContact O-N 3.47Å; R324-L328 HydrophobicContact CG-CD1 3.93Å; R324-L328 WeakPolarHBondContact O-CB 3.45Å; R324-L328 WeakPolarHBondContact O-CG 3.26Å; R324-L328 PolarHBondContact O-N 2.94Å; R324-V471 HydrophobicContact CB-CG2 4.44Å; R324-V471 HydrophobicContact CG-CG2 4.28Å; R324-V471 PolarHBondContact NH1-O 2.92Å; R324-T475 VanDerWaalsContact NH1-N 3.2Å; R324-T475 PolarHBondContact NH1-OG1 3.35Å
325	E	87	Confident	88.9	Confident	106 Å²	106	74.2 Å²	74.2	50%	0.495	38%	0.383	S	S	.	.	H	α-helix	trans	-70.8	-28.3	-176	-160.1	58.7	-143.8	0	0	112	Q323 H329 H332	Q323-E325 PolarHBondContact O-N 3.36Å; Q323-E325 VanDerWaalsContact O-N 3.12Å; E325-H329 VanDerWaalsContact O-CA 3.28Å; E325-H329 WeakPolarHBondContact O-CA 3.49Å; E325-H329 VanDerWaalsContact O-CB 3.25Å; E325-H329 WeakPolarHBondContact O-CB 3.45Å; E325-H329 PolarHBondContact O-N 3.16Å; E325-H332 IonicContact OE1-CE1 3.8Å; E325-H332 IonicContact OE1-CG 2.63Å; E325-H332 IonicContact OE1-ND1 2.86Å; E325-H332 PolarHBondContact OE1-ND1 2.69Å; E325-H332 IonicContact OE2-CE1 3.07Å; E325-H332 IonicContact OE2-ND1 3.7Å
326	Q	88.4	Confident	89.1	Confident	97 Å²	97	67.1 Å²	67.1	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-70.6	-46.9	172.8	-66.9	168.3	-21	0	0	110.5	T311 V322 Q323 R324 L328 H329	T311-Q326 PolarHBondContact OG1-O 3.34Å; V322-Q326 HydrophobicContact CB-CB 4.23Å; Q323-Q326 HydrophobicContact CB-CG 4.44Å; Q323-Q326 VanDerWaalsContact N-OE1 3.07Å; Q323-Q326 WeakPolarHBondContact O-CA 3.38Å; Q323-Q326 WeakPolarHBondContact O-CB 3.28Å; Q323-Q326 PolarHBondContact O-N 3.24Å; R324-Q326 VanDerWaalsContact C-N 3.3Å; R324-Q326 PolarHBondContact O-N 2.66Å; Q326-L328 PolarHBondContact O-N 3.24Å; Q326-H329 WeakPolarHBondContact O-CB 3.45Å; Q326-H329 PolarHBondContact O-N 3.04Å
327	S	90.1	Very high	89.4	Confident	14 Å²	14	70.8 Å²	70.8	10%	0.098	36%	0.356	C	S	.	.	H	α-helix	trans	-58.3	-33.5	175.1	-48.3	0	0	0	0	113.5	V322 Q323 R324	V322-S327 VanDerWaalsContact CG2-OG 3.3Å; V322-S327 WeakPolarHBondContact CG2-OG 3.49Å; Q323-S327 PolarHBondContact O-N 2.81Å; Q323-S327 PolarHBondContact O-OG 2.65Å; R324-S327 PolarHBondContact O-N 3.47Å
328	L	90.3	Very high	89.8	Confident	30 Å²	30	66.9 Å²	66.9	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-98.4	-4.7	-178.8	-63.7	178.1	0	0	0	113.8	R324 Q326 S330 F331 H332 V471	R324-L328 HydrophobicContact CG-CD1 3.93Å; R324-L328 WeakPolarHBondContact O-CB 3.45Å; R324-L328 WeakPolarHBondContact O-CG 3.26Å; R324-L328 PolarHBondContact O-N 2.94Å; Q326-L328 PolarHBondContact O-N 3.24Å; L328-S330 PolarHBondContact O-N 2.59Å; L328-F331 HydrophobicContact CD2-CD2 4.45Å; L328-F331 CarbonylContact O-C 3.48Å; L328-F331 WeakPolarHBondContact O-CA 3.43Å; L328-F331 WeakPolarHBondContact O-CB 3.26Å; L328-F331 PolarHBondContact O-N 2.99Å; L328-H332 PolarHBondContact O-N 2.72Å; L328-V471 HydrophobicContact CD1-CG1 4.29Å; L328-V471 HydrophobicContact CD2-CG1 4.19Å; L328-V471 HydrophobicContact CG-CG1 4.42Å; L328-V471 HydrophobicContact CG-CG2 4.21Å
329	H	89.7	Confident	90.3	Very high	97 Å²	97	63 Å²	63	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-56	-54.8	-169.5	-178.1	65.6	0	0	0	112.2	E325 Q326 F331 H332 T333	E325-H329 VanDerWaalsContact O-CA 3.28Å; E325-H329 WeakPolarHBondContact O-CA 3.49Å; E325-H329 VanDerWaalsContact O-CB 3.25Å; E325-H329 WeakPolarHBondContact O-CB 3.45Å; E325-H329 PolarHBondContact O-N 3.16Å; Q326-H329 WeakPolarHBondContact O-CB 3.45Å; Q326-H329 PolarHBondContact O-N 3.04Å; H329-F331 PolarHBondContact O-N 3.07Å; H329-H332 PolarHBondContact O-N 3.38Å; H329-T333 PolarHBondContact CE1-OG1 2.6Å; H329-T333 WeakPolarHBondContact O-CB 3.05Å; H329-T333 PolarHBondContact O-N 2.94Å; H329-T333 PolarHBondContact O-OG1 2.8Å
330	S	90.3	Very high	90.6	Very high	70 Å²	70	68 Å²	68	49%	0.49	33%	0.331	S	S	.	.	H	α-helix	trans	-58.6	-36.9	178.8	-52.3	0	0	0	0	112.2	L328 L334	L328-S330 PolarHBondContact O-N 2.59Å; S330-L334 VanDerWaalsContact O-CB 3.28Å; S330-L334 WeakPolarHBondContact O-CB 3.39Å; S330-L334 WeakPolarHBondContact O-CG 3.2Å; S330-L334 PolarHBondContact O-N 3.41Å; S330-L334 VanDerWaalsContact O-N 3.1Å
331	F	91.2	Very high	90.9	Very high	114 Å²	114	67.3 Å²	67.3	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-71	-42.4	177.9	-62.9	-74.4	0	0	0	112.3	L328 H329 F335 Y342	L328-F331 HydrophobicContact CD2-CD2 4.45Å; L328-F331 CarbonylContact O-C 3.48Å; L328-F331 WeakPolarHBondContact O-CA 3.43Å; L328-F331 WeakPolarHBondContact O-CB 3.26Å; L328-F331 PolarHBondContact O-N 2.99Å; H329-F331 PolarHBondContact O-N 3.07Å; F331-F335 WeakPolarHBondContact O-CB 3.46Å; F331-F335 PolarHBondContact O-N 2.84Å; F331-Y342 HydrophobicContact CB-CE1 4.38Å; F331-Y342 AromaticContact CD1-CE1 3.84Å; F331-Y342 HydrophobicContact CD1-CE1 3.84Å; F331-Y342 AromaticContact CD1-CZ 3.82Å; F331-Y342 WeakPolarHBondContact CD1-OH 3.44Å
332	H	89.6	Confident	91.2	Very high	32 Å²	32	71 Å²	71	15%	0.148	34%	0.335	C	S	.	.	H	α-helix	trans	-69	-45.4	177.4	-67.5	166	0	0	0	111.9	E325 L328 H329 Y356	E325-H332 IonicContact OE1-CE1 3.8Å; E325-H332 IonicContact OE1-CG 2.63Å; E325-H332 IonicContact OE1-ND1 2.86Å; E325-H332 PolarHBondContact OE1-ND1 2.69Å; E325-H332 IonicContact OE2-CE1 3.07Å; E325-H332 IonicContact OE2-ND1 3.7Å; L328-H332 PolarHBondContact O-N 2.72Å; H329-H332 PolarHBondContact O-N 3.38Å; H332-Y356 HydrophobicContact CB-CD2 3.79Å; H332-Y356 HydrophobicContact CB-CE2 3.98Å; H332-Y356 HydrophobicContact CB-CG 4.34Å; H332-Y356 AromaticContact CD2-CG 3.67Å; H332-Y356 AromaticContact CG-CD2 3.96Å; H332-Y356 WeakPolarHBondContact O-CE2 3.28Å; H332-Y356 VanDerWaalsContact O-CZ 3.25Å; H332-Y356 PolarHBondContact O-OH 2.76Å; H332-Y356 VanDerWaalsContact O-OH 3.09Å
333	T	88	Confident	91.2	Very high	45 Å²	45	75.8 Å²	75.8	28%	0.276	36%	0.36	S	S	.	.	H	α-helix	trans	-71.6	-44.2	-174.7	-55.7	0	0	0	0	112.4	H329 H350	H329-T333 PolarHBondContact CE1-OG1 2.6Å; H329-T333 WeakPolarHBondContact O-CB 3.05Å; H329-T333 PolarHBondContact O-N 2.94Å; H329-T333 PolarHBondContact O-OG1 2.8Å; T333-H350 PolarHBondContact O-ND1 2.66Å
334	L	91.3	Very high	91.4	Very high	77 Å²	77	71.4 Å²	71.4	40%	0.403	34%	0.341	S	S	.	.	H	α-helix	trans	-87.3	-20.8	-174.9	-61	174.1	0	0	0	113.8	S330 Y342 D343	S330-L334 VanDerWaalsContact O-CB 3.28Å; S330-L334 WeakPolarHBondContact O-CB 3.39Å; S330-L334 WeakPolarHBondContact O-CG 3.2Å; S330-L334 PolarHBondContact O-N 3.41Å; S330-L334 VanDerWaalsContact O-N 3.1Å; L334-Y342 HydrophobicContact CB-CD1 4.17Å; L334-Y342 CarbonylContact O-C 3.59Å; L334-Y342 WeakPolarHBondContact O-CA 3.33Å; L334-D343 PolarHBondContact O-N 2.91Å
335	F	94.1	Very high	91.7	Very high	45 Å²	45	74.9 Å²	74.9	20%	0.197	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.5	-179	-172.2	-106.7	0	0	0	111.8	F331 F340 Y342 Y356	F331-F335 WeakPolarHBondContact O-CB 3.46Å; F331-F335 PolarHBondContact O-N 2.84Å; F335-F340 HydrophobicContact CE2-CB 4.46Å; F335-F340 HydrophobicContact CZ-CB 4.12Å; F335-F340 HydrophobicContact CZ-CD1 4.04Å; F335-Y342 HydrophobicContact CB-CD1 3.85Å; F335-Y342 HydrophobicContact CB-CE1 3.64Å; F335-Y342 HydrophobicContact CD2-CD1 4.09Å; F335-Y342 AromaticContact CD2-CE1 3.73Å; F335-Y342 HydrophobicContact CD2-CE1 3.73Å; F335-Y342 HydrophobicContact CD2-CE2 4.23Å; F335-Y342 HydrophobicContact CD2-CG 4.48Å; F335-Y342 AromaticContact CD2-CZ 3.79Å; F335-Y342 HydrophobicContact CG-CD1 4.5Å; F335-Y342 HydrophobicContact CG-CE1 4.13Å; F335-Y356 HydrophobicContact CD1-CE1 4.05Å; F335-Y356 PolarHBondContact O-OH 2.67Å
336	C	94.4	Very high	92	Very high	16 Å²	16	71 Å²	71	11%	0.108	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.6	169.4	-179.5	0	0	0	0	111.2	R338 C339 F340 K341 C344 H347	C336-R338 PolarHBondContact O-N 2.85Å; C336-R338 VanDerWaalsContact O-N 3.17Å; C336-R338 PolarHBondContact SG-N 3.3Å; C336-R338 VanDerWaalsContact SG-N 3.41Å; C336-C339 PolarHBondContact O-N 3.39Å; C336-F340 WeakPolarHBondContact O-CA 3.3Å; C336-F340 PolarHBondContact O-N 3.41Å; C336-K341 PolarHBondContact N-O 3.31Å; C336-C344 HydrophobicContact CB-CB 3.95Å; C336-C344 WeakPolarHBondContact CB-SG 3.37Å; C336-H347 PolarHBondContact SG-ND1 2.74Å
337	R	92.3	Very high	92.2	Very high	88 Å²	88	67.5 Å²	67.5	33%	0.332	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.1	175.2	177	56.3	-172.7	86.2	-4.4	114	F340 V355	R337-F340 VanDerWaalsContact NH1-CE1 3.33Å; R337-V355 HydrophobicContact CB-CG1 3.84Å; R337-V355 HydrophobicContact CG-CG1 3.82Å
338	R	93.7	Very high	92.1	Very high	42 Å²	42	69.9 Å²	69.9	16%	0.158	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-45.4	-179.6	-64.8	165.7	69.2	148	0.1	112.2	C336 H347 Y544 F570 G728 D729	C336-R338 PolarHBondContact O-N 2.85Å; C336-R338 VanDerWaalsContact O-N 3.17Å; C336-R338 PolarHBondContact SG-N 3.3Å; C336-R338 VanDerWaalsContact SG-N 3.41Å; R338-H347 VanDerWaalsContact CZ-CD2 3.45Å; R338-H347 PolarHBondContact NE-CD2 3.09Å; R338-H347 VanDerWaalsContact NE-CD2 3.3Å; R338-H347 PolarHBondContact NE-NE2 2.86Å; R338-H347 VanDerWaalsContact NE-NE2 3.18Å; R338-Y544 PolarHBondContact NH1-O 3.3Å; R338-F570 HydrophobicContact CB-CE1 4.22Å; R338-F570 HydrophobicContact CB-CZ 4.42Å; R338-F570 HydrophobicContact CG-CD1 3.96Å; R338-F570 HydrophobicContact CG-CD2 4.34Å; R338-F570 HydrophobicContact CG-CE1 4.13Å; R338-F570 HydrophobicContact CG-CE2 4.5Å; R338-F570 HydrophobicContact CG-CG 4.05Å; R338-F570 HydrophobicContact CG-CZ 4.38Å; R338-G728 PolarHBondContact NH2-O 3.15Å; R338-D729 IonicContact CZ-OD1 2.67Å; R338-D729 IonicContact NE-OD1 2.92Å; R338-D729 IonicContact NH2-OD1 3.06Å; R338-D729 PolarHBondContact NH2-OD1 3.45Å
339	C	93.8	Very high	92	Very high	42 Å²	42	75 Å²	75	28%	0.284	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-0.4	-174.4	66.8	0	0	0	0	115.1	C336 K341 C344	C336-C339 PolarHBondContact O-N 3.39Å; C339-K341 PolarHBondContact O-N 2.87Å; C339-C344 WeakPolarHBondContact SG-CB 3.32Å; C339-C344 VanDerWaalsContact SG-SG 3.67Å
340	F	94.4	Very high	91.7	Very high	130 Å²	130	76.3 Å²	76.3	57%	0.57	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	37.8	176.9	-45.7	-78.4	0	0	0	114.7	F335 C336 R337	F335-F340 HydrophobicContact CE2-CB 4.46Å; F335-F340 HydrophobicContact CZ-CB 4.12Å; F335-F340 HydrophobicContact CZ-CD1 4.04Å; C336-F340 WeakPolarHBondContact O-CA 3.3Å; C336-F340 PolarHBondContact O-N 3.41Å; R337-F340 VanDerWaalsContact NH1-CE1 3.33Å
341	K	93.8	Very high	91.2	Very high	129 Å²	129	74.4 Å²	74.4	56%	0.561	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.2	175.9	-65.3	174	-178.4	-68.6	0	109.8	C336 C339 C344	C336-K341 PolarHBondContact N-O 3.31Å; C339-K341 PolarHBondContact O-N 2.87Å; K341-C344 HydrophobicContact CB-CB 4.14Å
342	Y	94.4	Very high	90.7	Very high	127 Å²	127	71.1 Å²	71.1	50%	0.498	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	143.5	162.1	-60.6	-79.7	0	0	0	109	F331 L334 F335	F331-Y342 HydrophobicContact CB-CE1 4.38Å; F331-Y342 AromaticContact CD1-CE1 3.84Å; F331-Y342 HydrophobicContact CD1-CE1 3.84Å; F331-Y342 AromaticContact CD1-CZ 3.82Å; F331-Y342 WeakPolarHBondContact CD1-OH 3.44Å; L334-Y342 HydrophobicContact CB-CD1 4.17Å; L334-Y342 CarbonylContact O-C 3.59Å; L334-Y342 WeakPolarHBondContact O-CA 3.33Å; F335-Y342 HydrophobicContact CB-CD1 3.85Å; F335-Y342 HydrophobicContact CB-CE1 3.64Å; F335-Y342 HydrophobicContact CD2-CD1 4.09Å; F335-Y342 AromaticContact CD2-CE1 3.73Å; F335-Y342 HydrophobicContact CD2-CE1 3.73Å; F335-Y342 HydrophobicContact CD2-CE2 4.23Å; F335-Y342 HydrophobicContact CD2-CG 4.48Å; F335-Y342 AromaticContact CD2-CZ 3.79Å; F335-Y342 HydrophobicContact CG-CD1 4.5Å; F335-Y342 HydrophobicContact CG-CE1 4.13Å
343	D	91.6	Very high	90.3	Very high	118 Å²	118	74.2 Å²	74.2	63%	0.631	37%	0.368	S	S	*	.	S	Bend	trans	46.3	66.4	176.5	-166.9	30.9	0	0	0	112.9	L334	L334-D343 PolarHBondContact O-N 2.91Å
344	C	94	Very high	90	Very high	18 Å²	18	73.9 Å²	73.9	12%	0.122	36%	0.364	C	S	.	.			trans	-86.8	130.8	-165.8	74.9	0	0	0	0	113.3	C336 C339 K341 L346	C336-C344 HydrophobicContact CB-CB 3.95Å; C336-C344 WeakPolarHBondContact CB-SG 3.37Å; C339-C344 WeakPolarHBondContact SG-CB 3.32Å; C339-C344 VanDerWaalsContact SG-SG 3.67Å; K341-C344 HydrophobicContact CB-CB 4.14Å; C344-L346 PolarHBondContact O-N 3.37Å
345	F	92.9	Very high	89.7	Confident	136 Å²	136	71.8 Å²	71.8	60%	0.596	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	24.9	178.3	-46.2	-64	0	0	0	116.5	F143 M144	F143-F345 CarbonylContact C-O 3.54Å; F143-F345 WeakPolarHBondContact CA-O 3.47Å; F143-F345 HydrophobicContact CD2-CB 3.69Å; F143-F345 HydrophobicContact CD2-CD1 4.48Å; F143-F345 HydrophobicContact CD2-CG 4.01Å; F143-F345 HydrophobicContact CE2-CB 3.59Å; F143-F345 AromaticContact CE2-CD1 3.53Å; F143-F345 HydrophobicContact CE2-CD1 3.53Å; F143-F345 HydrophobicContact CE2-CD2 4.04Å; F143-F345 HydrophobicContact CE2-CE1 4.18Å; F143-F345 AromaticContact CE2-CG 3.45Å; F143-F345 HydrophobicContact CE2-CG 3.45Å; F143-F345 VanDerWaalsContact CE2-CG 3.45Å; F143-F345 HydrophobicContact CG-CB 4.33Å; F143-F345 HydrophobicContact CZ-CB 4.15Å; F143-F345 AromaticContact CZ-CD1 3.67Å; F143-F345 HydrophobicContact CZ-CD1 3.67Å; F143-F345 HydrophobicContact CZ-CE1 4.31Å; F143-F345 HydrophobicContact CZ-CG 4.04Å; M144-F345 PolarHBondContact N-O 3.16Å
346	L	93.3	Very high	89.1	Confident	25 Å²	25	72.2 Å²	72.2	13%	0.131	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.3	-24.5	-176.8	-171.1	60.2	0	0	0	114.5	N142 C344 L669 D729	N142-L346 HydrophobicContact CB-CD1 4.1Å; C344-L346 PolarHBondContact O-N 3.37Å; L346-L669 HydrophobicContact CD1-CD2 4.03Å; L346-D729 WeakPolarHBondContact CD2-OD2 3.34Å
347	H	93.4	Very high	88.4	Confident	22 Å²	22	77.5 Å²	77.5	10%	0.102	38%	0.376	C	S	.	.			trans	-124.6	98.8	-174.8	-53.3	125.6	0	0	0	109.1	C336 R338 F349 D729	C336-H347 PolarHBondContact SG-ND1 2.74Å; R338-H347 VanDerWaalsContact CZ-CD2 3.45Å; R338-H347 PolarHBondContact NE-CD2 3.09Å; R338-H347 VanDerWaalsContact NE-CD2 3.3Å; R338-H347 PolarHBondContact NE-NE2 2.86Å; R338-H347 VanDerWaalsContact NE-NE2 3.18Å; H347-F349 VanDerWaalsContact C-N 3.34Å; H347-F349 PolarHBondContact O-N 2.75Å; H347-D729 IonicContact CD2-OD1 3.37Å; H347-D729 IonicContact CE1-OD1 3.84Å; H347-D729 IonicContact CE1-OD2 2.73Å; H347-D729 IonicContact NE2-OD1 3.21Å; H347-D729 PolarHBondContact NE2-OD1 3.39Å; H347-D729 IonicContact NE2-OD2 2.97Å
348	P	88.1	Confident	87.3	Confident	64 Å²	64	82.8 Å²	82.8	42%	0.416	40%	0.396	S	S	.	.			trans	-73.7	-25.1	-172.8	28.6	-35.3	0	0	0	113	M144	M144-P348 HydrophobicContact CE-CG 4Å; M144-P348 HydrophobicContact CG-CG 4.49Å
349	F	87	Confident	85.7	Confident	137 Å²	137	86.8 Å²	86.8	60%	0.601	42%	0.415	S	S	*	.	S	Bend	trans	-82.4	122.9	179.2	-60.3	-78.2	0	0	0	111.5	H347	H347-F349 VanDerWaalsContact C-N 3.34Å; H347-F349 PolarHBondContact O-N 2.75Å
350	H	83.7	Confident	83.7	Confident	125 Å²	125	88.5 Å²	88.5	58%	0.579	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-54.9	148.4	170.2	-64.6	-74.1	0	0	0	112	T333	T333-H350 PolarHBondContact O-ND1 2.66Å
351	A	80.2	Confident	81.8	Confident	30 Å²	30	86.5 Å²	86.5	25%	0.248	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-65.4	136.8	178.2	0	0	0	0	0	111.5	V355 Y356	A351-V355 HydrophobicContact CB-CB 4.4Å; A351-V355 HydrophobicContact CB-CG1 4.47Å; A351-V355 HydrophobicContact CB-CG2 4.34Å; A351-Y356 HydrophobicContact CB-CE2 3.73Å; A351-Y356 VanDerWaalsContact CB-OH 3.31Å; A351-Y356 WeakPolarHBondContact CB-OH 3.18Å
352	T	80.5	Confident	79.9	Confident	45 Å²	45	87.4 Å²	87.4	28%	0.276	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-65	147	-178.9	72.1	0	0	0	0	111.3	N354 V355 D548	T352-N354 PolarHBondContact O-N 2.96Å; T352-V355 VanDerWaalsContact O-CB 3.32Å; T352-V355 WeakPolarHBondContact O-CB 3.25Å; T352-V355 WeakPolarHBondContact O-CG2 3.34Å; T352-V355 PolarHBondContact O-N 2.92Å; T352-D548 WeakPolarHBondContact CB-OD2 3.2Å; T352-D548 HydrophobicContact CG2-CB 3.97Å; T352-D548 PolarHBondContact OG1-OD2 3.46Å
353	P	81.1	Confident	78.3	Confident	97 Å²	97	83.9 Å²	83.9	63%	0.63	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.5	-172.8	-28.5	36.1	0	0	0	115.5	K357	P353-K357 WeakPolarHBondContact O-CE 3.39Å
354	N	82.6	Confident	76.8	Confident	39 Å²	39	89.2 Å²	89.2	21%	0.209	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-16.8	177.3	-59.3	-35.6	0	0	0	113.5	T352 Y356 K357 D548 Q572	T352-N354 PolarHBondContact O-N 2.96Å; N354-Y356 PolarHBondContact O-N 3.31Å; N354-K357 PolarHBondContact O-N 3.49Å; N354-K357 VanDerWaalsContact O-N 3.11Å; N354-K357 PolarHBondContact OD1-NZ 2.84Å; N354-D548 WeakPolarHBondContact CB-OD2 3.17Å; N354-D548 PolarHBondContact ND2-OD1 3.43Å; N354-D548 PolarHBondContact ND2-OD2 2.84Å; N354-Q572 HydrophobicContact CB-CG 4.42Å
355	V	84.1	Confident	75.3	Confident	32 Å²	32	89.9 Å²	89.9	19%	0.194	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-37	176.5	175.7	0	0	0	0	111.8	R337 A351 T352 Q572	R337-V355 HydrophobicContact CB-CG1 3.84Å; R337-V355 HydrophobicContact CG-CG1 3.82Å; A351-V355 HydrophobicContact CB-CB 4.4Å; A351-V355 HydrophobicContact CB-CG1 4.47Å; A351-V355 HydrophobicContact CB-CG2 4.34Å; T352-V355 VanDerWaalsContact O-CB 3.32Å; T352-V355 WeakPolarHBondContact O-CB 3.25Å; T352-V355 WeakPolarHBondContact O-CG2 3.34Å; T352-V355 PolarHBondContact O-N 2.92Å; V355-Q572 HydrophobicContact CG2-CG 4.04Å
356	Y	82.1	Confident	73.9	Confident	55 Å²	55	88 Å²	88	22%	0.216	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.7	-179	-56.2	-63.3	0	0	0	113.9	H332 F335 A351 N354 R358	H332-Y356 HydrophobicContact CB-CD2 3.79Å; H332-Y356 HydrophobicContact CB-CE2 3.98Å; H332-Y356 HydrophobicContact CB-CG 4.34Å; H332-Y356 AromaticContact CD2-CG 3.67Å; H332-Y356 AromaticContact CG-CD2 3.96Å; H332-Y356 WeakPolarHBondContact O-CE2 3.28Å; H332-Y356 VanDerWaalsContact O-CZ 3.25Å; H332-Y356 PolarHBondContact O-OH 2.76Å; H332-Y356 VanDerWaalsContact O-OH 3.09Å; F335-Y356 HydrophobicContact CD1-CE1 4.05Å; F335-Y356 PolarHBondContact O-OH 2.67Å; A351-Y356 HydrophobicContact CB-CE2 3.73Å; A351-Y356 VanDerWaalsContact CB-OH 3.31Å; A351-Y356 WeakPolarHBondContact CB-OH 3.18Å; N354-Y356 PolarHBondContact O-N 3.31Å; Y356-R358 PolarHBondContact O-N 3.22Å
357	K	79.3	Confident	72.5	Confident	126 Å²	126	91.9 Å²	91.9	55%	0.548	44%	0.444	S	S	.	.	S	Bend	trans	-84.4	103.6	177.6	-64.9	177.5	-164.5	162.3	0	109.9	P353 N354 K359	P353-K357 WeakPolarHBondContact O-CE 3.39Å; N354-K357 PolarHBondContact O-N 3.49Å; N354-K357 VanDerWaalsContact O-N 3.11Å; N354-K357 PolarHBondContact OD1-NZ 2.84Å; K357-K359 PolarHBondContact O-N 2.88Å; K357-K359 VanDerWaalsContact O-N 3.15Å
358	R	69.4	Low	71.4	Confident	199 Å²	199	98.1 Å²	98.1	75%	0.751	47%	0.474	S	S	*	.			trans	-65	114.4	-179.6	-156.4	179.2	-162.3	173.3	4.8	111.1	Y356 S360	Y356-R358 PolarHBondContact O-N 3.22Å; R358-S360 VanDerWaalsContact C-N 3.35Å; R358-S360 PolarHBondContact O-N 3.15Å
359	K	59	Low	70.8	Confident	127 Å²	127	98.6 Å²	98.6	55%	0.552	48%	0.477	S	S	*	.	S	Bend	trans	-69.6	-26.5	-179.8	-62	-172.1	-179.1	-170.7	0	114.1	K357 Q572	K357-K359 PolarHBondContact O-N 2.88Å; K357-K359 VanDerWaalsContact O-N 3.15Å; K359-Q572 PolarHBondContact NZ-O 3.46Å
360	S	53.6	Low	70.5	Confident	77 Å²	77	95.4 Å²	95.4	54%	0.538	47%	0.471	S	S	.	.			trans	-90.7	123	175.1	-175.2	0	0	0	0	111.4	R358	R358-S360 VanDerWaalsContact C-N 3.35Å; R358-S360 PolarHBondContact O-N 3.15Å
361	K	54.5	Low	70.3	Confident	88 Å²	88	91.3 Å²	91.3	38%	0.383	46%	0.463	S	S	.	.			trans	-104.5	12.6	177.3	-64.4	176.3	178.4	165.9	0	113.3	I363 F477 P509	K361-I363 VanDerWaalsContact C-N 3.3Å; K361-I363 PolarHBondContact O-N 3.31Å; K361-F477 HydrophobicContact CB-CE2 4.14Å; K361-F477 HydrophobicContact CG-CE2 4.13Å; K361-F477 HydrophobicContact CG-CZ 4.09Å; K361-P509 PolarHBondContact NZ-O 3.04Å
362	E	53.4	Low	70.2	Confident	149 Å²	149	99 Å²	99	70%	0.696	49%	0.493	S	S	*	.			trans	-73.3	84.7	176	-77.7	-154	143.3	0	0	111.2	R396	E362-R396 IonicContact OE1-NH2 2.82Å
363	I	61.2	Low	70.3	Confident	53 Å²	53	100.9 Å²	100.9	27%	0.272	50%	0.502	S	S	.	.			trans	-104.4	115.6	165	-51.9	-168.1	0	0	0	106.5	K361 M365 T475 F477 N479	K361-I363 VanDerWaalsContact C-N 3.3Å; K361-I363 PolarHBondContact O-N 3.31Å; I363-M365 PolarHBondContact O-N 3.11Å; I363-T475 WeakPolarHBondContact CD1-O 3.27Å; I363-F477 HydrophobicContact CD1-CD2 3.55Å; I363-F477 HydrophobicContact CD1-CE2 3.86Å; I363-F477 HydrophobicContact CG1-CD2 4.05Å; I363-F477 HydrophobicContact CG1-CE2 4.33Å; I363-N479 HydrophobicContact CG2-CB 4.35Å
364	R	58.9	Low	70.3	Confident	229 Å²	229	96.4 Å²	96.4	86%	0.864	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-69.3	122.1	173.4	-65.2	-177.6	-177.8	-176.5	1.2	107.2	N479	R364-N479 PolarHBondContact O-ND2 3.29Å
365	M	63.7	Low	70.3	Confident	33 Å²	33	94.7 Å²	94.7	16%	0.163	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-76.2	133.1	165	-64.9	176.7	65.7	0	0	107.6	I363 F375 F384 V385 N388 M389 N478	I363-M365 PolarHBondContact O-N 3.11Å; M365-F375 HydrophobicContact CE-CZ 4.47Å; M365-F384 HydrophobicContact CE-CE1 4.47Å; M365-V385 HydrophobicContact CE-CG2 4.23Å; M365-N388 HydrophobicContact SD-CB 4.15Å; M365-M389 HydrophobicContact CB-CE 4.04Å; M365-N478 HydrophobicContact CE-CB 4.45Å
366	E	63.6	Low	69.9	Low	97 Å²	97	95 Å²	95	45%	0.453	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-67.3	136	170.9	-71.8	161.1	-166.2	0	0	109	C481	E366-C481 WeakPolarHBondContact OE2-CB 3.26Å
367	T	63.8	Low	69.7	Low	105 Å²	105	97.7 Å²	97.7	64%	0.644	48%	0.481	S	S	*	.			trans	-102.7	-4.7	-177	48.1	0	0	0	0	113.3	M389	T367-M389 HydrophobicContact CG2-CE 3.95Å
368	E	69.9	Low	69.4	Low	153 Å²	153	94.2 Å²	94.2	72%	0.715	47%	0.467	S	S	*	.	S	Bend	trans	-106.4	143.9	179	-67.2	176.4	-175.9	0	0	109.2	C370 L376	E368-C370 PolarHBondContact O-N 2.93Å; E368-L376 WeakPolarHBondContact O-CD1 3.12Å
369	P	75.8	Confident	69	Low	74 Å²	74	95.1 Å²	95.1	48%	0.481	48%	0.476	S	S	.	.			trans	-66.4	128.7	-179.2	27.8	-33.9	0	0	0	110.9	G371 C374 L377	P369-G371 PolarHBondContact O-N 3.27Å; P369-G371 VanDerWaalsContact O-N 3.12Å; P369-C374 HydrophobicContact CB-CB 3.88Å; P369-L377 HydrophobicContact CB-CD1 4.37Å; P369-L377 HydrophobicContact CB-CD2 4.29Å; P369-L377 HydrophobicContact CB-CG 4.28Å
370	C	79.6	Confident	69.1	Low	71 Å²	71	90.8 Å²	90.8	48%	0.48	47%	0.468	S	S	.	.	S	Bend	trans	-75.9	7.7	-178.9	68.9	0	0	0	0	114.7	E368 C374 C481 C492	E368-C370 PolarHBondContact O-N 2.93Å; C370-C374 PolarHBondContact N-SG 2.72Å; C370-C374 VanDerWaalsContact N-SG 3.41Å; C370-C481 HydrophobicContact CB-CB 4.06Å; C370-C481 VanDerWaalsContact SG-SG 3.65Å; C370-C492 VanDerWaalsContact SG-CB 3.57Å
371	G	81.1	Confident	69.5	Low	39 Å²	39	87.1 Å²	87.1	40%	0.402	44%	0.442	S	S	.	.	S	Bend	trans	148.7	-177.7	-174.1	0	0	0	0	0	112	P369 C374	P369-G371 PolarHBondContact O-N 3.27Å; P369-G371 VanDerWaalsContact O-N 3.12Å; G371-C374 WeakPolarHBondContact O-CB 3.47Å; G371-C374 PolarHBondContact O-N 3.47Å
372	E	77.2	Confident	69.6	Low	190 Å²	190	90.8 Å²	90.8	89%	0.888	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-36.9	-178.8	-61.5	176.6	171.2	0	0	112.2	C374 L377	E372-C374 PolarHBondContact O-N 3.42Å; E372-L377 WeakPolarHBondContact O-CD1 3.42Å
373	D	81.6	Confident	69.9	Low	86 Å²	86	90.8 Å²	90.8	46%	0.46	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	33.5	173.7	-83.7	-38.3	0	0	0	113.6	N491 K493	D373-N491 HydrophobicContact CB-CB 3.96Å; D373-N491 WeakPolarHBondContact CB-ND2 3.46Å; D373-N491 PolarHBondContact OD2-ND2 2.77Å; D373-K493 WeakPolarHBondContact O-CB 3.48Å; D373-K493 PolarHBondContact O-N 3.14Å
374	C	82.9	Confident	70	Confident	3 Å²	3	88.6 Å²	88.6	2%	0.02	45%	0.447	C	S	.	.			trans	-80.8	136.3	-179.9	-169	0	0	0	0	112.6	P369 C370 G371 E372 L376 L377	P369-C374 HydrophobicContact CB-CB 3.88Å; C370-C374 PolarHBondContact N-SG 2.72Å; C370-C374 VanDerWaalsContact N-SG 3.41Å; G371-C374 WeakPolarHBondContact O-CB 3.47Å; G371-C374 PolarHBondContact O-N 3.47Å; E372-C374 PolarHBondContact O-N 3.42Å; C374-L376 PolarHBondContact O-N 2.89Å; C374-L376 VanDerWaalsContact O-N 3.13Å; C374-L377 HydrophobicContact CB-CD1 4.25Å; C374-L377 HydrophobicContact CB-CG 4.3Å; C374-L377 WeakPolarHBondContact O-CB 3.2Å; C374-L377 PolarHBondContact O-N 2.93Å
375	F	81	Confident	70.1	Confident	3 Å²	3	78.5 Å²	78.5	1%	0.013	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-56.9	-29.6	174	89.2	-75.5	0	0	0	112.9	M365 L377 Q378 A381 F384 V385 F480 C492 Y496	M365-F375 HydrophobicContact CE-CZ 4.47Å; F375-L377 PolarHBondContact O-N 2.61Å; F375-L377 VanDerWaalsContact O-N 3.13Å; F375-Q378 WeakPolarHBondContact O-CB 3.44Å; F375-Q378 PolarHBondContact O-N 3.06Å; F375-A381 HydrophobicContact CD2-CB 4.49Å; F375-A381 WeakPolarHBondContact O-CB 3.39Å; F375-F384 HydrophobicContact CE2-CD1 4.11Å; F375-F384 HydrophobicContact CE2-CE1 4.36Å; F375-V385 HydrophobicContact CE2-CG2 4.24Å; F375-V385 HydrophobicContact CZ-CG2 4.24Å; F375-F480 HydrophobicContact CD1-CB 4.25Å; F375-F480 HydrophobicContact CD1-CD2 4.47Å; F375-F480 AromaticContact CD2-CD2 3.99Å; F375-F480 HydrophobicContact CD2-CD2 3.99Å; F375-F480 HydrophobicContact CE1-CB 4.43Å; F375-F480 HydrophobicContact CE1-CD2 4.38Å; F375-F480 AromaticContact CE2-CD2 3.91Å; F375-F480 HydrophobicContact CE2-CD2 3.91Å; F375-F480 HydrophobicContact CE2-CE2 4.44Å; F375-F480 HydrophobicContact CG-CD2 4.27Å; F375-F480 HydrophobicContact CZ-CD2 4.1Å; F375-C492 VanDerWaalsContact CD1-SG 3.54Å; F375-Y496 HydrophobicContact CB-CD1 4.36Å; F375-Y496 HydrophobicContact CB-CD2 4.38Å; F375-Y496 HydrophobicContact CB-CG 3.88Å; F375-Y496 AromaticContact CD2-CD2 3.82Å; F375-Y496 HydrophobicContact CD2-CD2 3.82Å; F375-Y496 HydrophobicContact CD2-CE2 4.21Å; F375-Y496 HydrophobicContact CD2-CG 4.18Å; F375-Y496 HydrophobicContact CG-CD2 4.42Å; F375-Y496 HydrophobicContact CG-CG 4.4Å
376	L	76.9	Confident	69.7	Low	37 Å²	37	80.9 Å²	80.9	19%	0.194	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-61.1	-19	177.7	-65.3	179.1	0	0	0	113.8	E368 C374 V385	E368-L376 WeakPolarHBondContact O-CD1 3.12Å; C374-L376 PolarHBondContact O-N 2.89Å; C374-L376 VanDerWaalsContact O-N 3.13Å; L376-V385 HydrophobicContact CD2-CG2 3.51Å
377	L	78	Confident	69.6	Low	112 Å²	112	82.5 Å²	82.5	59%	0.586	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-90.5	-3	179.3	-57.6	173.3	0	0	0	112.8	P369 E372 C374 F375	P369-L377 HydrophobicContact CB-CD1 4.37Å; P369-L377 HydrophobicContact CB-CD2 4.29Å; P369-L377 HydrophobicContact CB-CG 4.28Å; E372-L377 WeakPolarHBondContact O-CD1 3.42Å; C374-L377 HydrophobicContact CB-CD1 4.25Å; C374-L377 HydrophobicContact CB-CG 4.3Å; C374-L377 WeakPolarHBondContact O-CB 3.2Å; C374-L377 PolarHBondContact O-N 2.93Å; F375-L377 PolarHBondContact O-N 2.61Å; F375-L377 VanDerWaalsContact O-N 3.13Å
378	Q	72	Confident	69.2	Low	53 Å²	53	78.9 Å²	78.9	25%	0.248	40%	0.402	C	S	.	.	S	Bend	trans	-81.3	149.2	176.8	-66.8	-157.7	-17.5	0	0	113.6	F375 G380 A381 E497	F375-Q378 WeakPolarHBondContact O-CB 3.44Å; F375-Q378 PolarHBondContact O-N 3.06Å; Q378-G380 PolarHBondContact O-N 3.37Å; Q378-A381 HydrophobicContact CB-CB 4.43Å; Q378-A381 VanDerWaalsContact O-CB 3.25Å; Q378-A381 WeakPolarHBondContact O-CB 3.19Å; Q378-A381 PolarHBondContact O-N 3.46Å; Q378-E497 PolarHBondContact NE2-OE1 2.84Å
379	K	60.5	Low	68.4	Low	218 Å²	218	73.8 Å²	73.8	95%	0.948	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	123	171.5	-67.1	179.9	179.8	176.2	0	109.7
380	G	62.6	Low	66.9	Low	36 Å²	36	74.4 Å²	74.4	37%	0.371	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-11.5	-176.2	0	0	0	0	0	115.7	Q378 K382 E383 F384	Q378-G380 PolarHBondContact O-N 3.37Å; G380-K382 VanDerWaalsContact C-N 3.32Å; G380-K382 PolarHBondContact O-N 3.22Å; G380-E383 PolarHBondContact O-N 3.21Å; G380-F384 PolarHBondContact O-N 2.92Å
381	A	62.4	Low	65.3	Low	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-34.9	179.7	0	0	0	0	0	113	F375 Q378 F384 V385	F375-A381 HydrophobicContact CD2-CB 4.49Å; F375-A381 WeakPolarHBondContact O-CB 3.39Å; Q378-A381 HydrophobicContact CB-CB 4.43Å; Q378-A381 VanDerWaalsContact O-CB 3.25Å; Q378-A381 WeakPolarHBondContact O-CB 3.19Å; Q378-A381 PolarHBondContact O-N 3.46Å; A381-F384 WeakPolarHBondContact O-CB 3.4Å; A381-F384 PolarHBondContact O-N 3.48Å; A381-V385 WeakPolarHBondContact O-CG2 3.34Å; A381-V385 PolarHBondContact O-N 3.02Å
382	K	54.6	Low	63.4	Low	165 Å²	165	78.7 Å²	78.7	72%	0.717	38%	0.381	S	S	*	.	H	α-helix	trans	-61.2	-46.7	175.7	-162.7	172.1	-175.3	176.7	0	111.7	G380 F384 V385 D386	G380-K382 VanDerWaalsContact C-N 3.32Å; G380-K382 PolarHBondContact O-N 3.22Å; K382-F384 VanDerWaalsContact C-N 3.33Å; K382-F384 PolarHBondContact O-N 3.26Å; K382-V385 PolarHBondContact O-N 3.39Å; K382-D386 WeakPolarHBondContact O-CB 3.36Å; K382-D386 PolarHBondContact O-N 3.22Å
383	E	61	Low	61.7	Low	149 Å²	149	73.4 Å²	73.4	70%	0.696	36%	0.356	S	S	*	.	H	α-helix	trans	-64.2	-36.7	174.9	-63.7	174.9	-167.9	0	0	112.4	G380 R387	G380-E383 PolarHBondContact O-N 3.21Å; E383-R387 WeakPolarHBondContact O-CB 3.2Å; E383-R387 PolarHBondContact O-N 3.01Å
384	F	63.3	Low	59.6	Low	8 Å²	8	79.2 Å²	79.2	4%	0.035	37%	0.372	C	S	.	.	H	α-helix	trans	-64.9	-45.8	175.8	175.9	-103.8	0	0	0	112.4	M365 F375 G380 A381 K382 R387 N388 N478 F480 Y496 I505	M365-F384 HydrophobicContact CE-CE1 4.47Å; F375-F384 HydrophobicContact CE2-CD1 4.11Å; F375-F384 HydrophobicContact CE2-CE1 4.36Å; G380-F384 PolarHBondContact O-N 2.92Å; A381-F384 WeakPolarHBondContact O-CB 3.4Å; A381-F384 PolarHBondContact O-N 3.48Å; K382-F384 VanDerWaalsContact C-N 3.33Å; K382-F384 PolarHBondContact O-N 3.26Å; F384-R387 PolarHBondContact O-N 3.32Å; F384-N388 WeakPolarHBondContact CE1-ND2 3.22Å; F384-N388 VanDerWaalsContact CE2-ND2 3.34Å; F384-N388 WeakPolarHBondContact CE2-ND2 3.39Å; F384-N388 WeakPolarHBondContact CZ-ND2 3.45Å; F384-N388 PolarHBondContact O-N 3.09Å; F384-N388 VanDerWaalsContact O-N 3.11Å; F384-N478 HydrophobicContact CE1-CB 4.2Å; F384-N478 HydrophobicContact CZ-CB 3.97Å; F384-F480 AromaticContact CE1-CE2 3.71Å; F384-F480 HydrophobicContact CE1-CE2 3.71Å; F384-F480 HydrophobicContact CZ-CE2 4.07Å; F384-F480 HydrophobicContact CZ-CZ 4.46Å; F384-Y496 HydrophobicContact CD1-CE2 4.41Å; F384-I505 HydrophobicContact CD2-CG2 4.09Å; F384-I505 HydrophobicContact CE2-CG2 3.33Å; F384-I505 HydrophobicContact CZ-CG2 3.94Å
385	V	60.2	Low	57.5	Low	17 Å²	17	83.2 Å²	83.2	10%	0.103	40%	0.4	C	S	.	.	H	α-helix	trans	-64.6	-47.3	174.9	172.2	0	0	0	0	110.4	M365 F375 L376 A381 K382 R387 N388 M389	M365-V385 HydrophobicContact CE-CG2 4.23Å; F375-V385 HydrophobicContact CE2-CG2 4.24Å; F375-V385 HydrophobicContact CZ-CG2 4.24Å; L376-V385 HydrophobicContact CD2-CG2 3.51Å; A381-V385 WeakPolarHBondContact O-CG2 3.34Å; A381-V385 PolarHBondContact O-N 3.02Å; K382-V385 PolarHBondContact O-N 3.39Å; V385-R387 VanDerWaalsContact C-N 3.32Å; V385-R387 PolarHBondContact O-N 2.77Å; V385-N388 PolarHBondContact O-N 2.86Å; V385-M389 HydrophobicContact CG1-CG 3.97Å; V385-M389 VanDerWaalsContact O-CB 3.25Å; V385-M389 WeakPolarHBondContact O-CB 3.1Å; V385-M389 VanDerWaalsContact O-CG 3.27Å; V385-M389 WeakPolarHBondContact O-CG 3.48Å; V385-M389 PolarHBondContact O-N 3.08Å
386	D	56.5	Low	55.4	Low	82 Å²	82	90.2 Å²	90.2	44%	0.439	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-39.2	178.3	-76	-30.6	0	0	0	111.7	K382 M389 L390	K382-D386 WeakPolarHBondContact O-CB 3.36Å; K382-D386 PolarHBondContact O-N 3.22Å; D386-M389 PolarHBondContact O-N 3.3Å; D386-L390 WeakPolarHBondContact O-CB 3.38Å; D386-L390 WeakPolarHBondContact O-CD1 3.45Å; D386-L390 WeakPolarHBondContact O-CG 3.34Å; D386-L390 PolarHBondContact O-N 2.85Å
387	R	60.8	Low	53.4	Low	131 Å²	131	97.4 Å²	97.4	49%	0.494	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-40.9	175.6	-174.9	170.4	68.3	-169	4.3	112.8	E383 F384 V385 R391	E383-R387 WeakPolarHBondContact O-CB 3.2Å; E383-R387 PolarHBondContact O-N 3.01Å; F384-R387 PolarHBondContact O-N 3.32Å; V385-R387 VanDerWaalsContact C-N 3.32Å; V385-R387 PolarHBondContact O-N 2.77Å; R387-R391 PolarHBondContact O-N 3.4Å; R387-R391 VanDerWaalsContact O-N 3.16Å
388	N	55.8	Low	51.4	Low	29 Å²	29	103.8 Å²	103.8	16%	0.155	47%	0.467	C	S	.	.	H	α-helix	trans	-74.5	-38	175.4	-79.4	-26.3	0	0	0	112.4	M365 F384 V385 R391 S392 N478	M365-N388 HydrophobicContact SD-CB 4.15Å; F384-N388 WeakPolarHBondContact CE1-ND2 3.22Å; F384-N388 VanDerWaalsContact CE2-ND2 3.34Å; F384-N388 WeakPolarHBondContact CE2-ND2 3.39Å; F384-N388 WeakPolarHBondContact CZ-ND2 3.45Å; F384-N388 PolarHBondContact O-N 3.09Å; F384-N388 VanDerWaalsContact O-N 3.11Å; V385-N388 PolarHBondContact O-N 2.86Å; N388-R391 PolarHBondContact O-N 3.25Å; N388-S392 PolarHBondContact O-N 3.06Å; N388-N478 PolarHBondContact ND2-ND2 3.22Å
389	M	51.7	Low	49.9	Very low	47 Å²	47	111.7 Å²	111.7	23%	0.232	50%	0.495	C	S	.	.	H	α-helix	trans	-65.2	-40.4	173.8	-76.6	-70	176.4	0	0	111.7	M365 T367 V385 D386 S392 Q393	M365-M389 HydrophobicContact CB-CE 4.04Å; T367-M389 HydrophobicContact CG2-CE 3.95Å; V385-M389 HydrophobicContact CG1-CG 3.97Å; V385-M389 VanDerWaalsContact O-CB 3.25Å; V385-M389 WeakPolarHBondContact O-CB 3.1Å; V385-M389 VanDerWaalsContact O-CG 3.27Å; V385-M389 WeakPolarHBondContact O-CG 3.48Å; V385-M389 PolarHBondContact O-N 3.08Å; D386-M389 PolarHBondContact O-N 3.3Å; M389-S392 CarbonylContact O-C 3.59Å; M389-S392 WeakPolarHBondContact O-CB 3.46Å; M389-S392 PolarHBondContact O-N 3.28Å; M389-Q393 VanDerWaalsContact O-CB 3.31Å; M389-Q393 WeakPolarHBondContact O-CB 3.35Å; M389-Q393 VanDerWaalsContact O-CG 3.3Å; M389-Q393 WeakPolarHBondContact O-CG 3.35Å; M389-Q393 PolarHBondContact O-N 3.43Å
390	L	45.8	Very low	48.8	Very low	87 Å²	87	112 Å²	112	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-67.9	-36.7	175.5	-78.1	163	0	0	0	112.2	D386 S392 Q393 R394	D386-L390 WeakPolarHBondContact O-CB 3.38Å; D386-L390 WeakPolarHBondContact O-CD1 3.45Å; D386-L390 WeakPolarHBondContact O-CG 3.34Å; D386-L390 PolarHBondContact O-N 2.85Å; L390-S392 VanDerWaalsContact C-N 3.33Å; L390-Q393 PolarHBondContact O-N 3.1Å; L390-R394 WeakPolarHBondContact O-CG 3.3Å; L390-R394 PolarHBondContact O-N 3.48Å
391	R	44.4	Very low	47.3	Very low	137 Å²	137	119.6 Å²	119.6	52%	0.517	52%	0.516	S	S	.	.	H	α-helix	trans	-60	-42.5	168.7	-87.4	-178.2	165.7	-173.4	-5.2	111.6	R387 N388	R387-R391 PolarHBondContact O-N 3.4Å; R387-R391 VanDerWaalsContact O-N 3.16Å; N388-R391 PolarHBondContact O-N 3.25Å
392	S	42.8	Very low	45.8	Very low	62 Å²	62	128.3 Å²	128.3	43%	0.434	56%	0.557	S	S	.	*	H	α-helix	trans	-67.7	-41.5	174.3	-173.7	0	0	0	0	112.9	N388 M389 L390 S395	N388-S392 PolarHBondContact O-N 3.06Å; M389-S392 CarbonylContact O-C 3.59Å; M389-S392 WeakPolarHBondContact O-CB 3.46Å; M389-S392 PolarHBondContact O-N 3.28Å; L390-S392 VanDerWaalsContact C-N 3.33Å; S392-S395 PolarHBondContact O-OG 3.36Å
393	Q	40.1	Very low	44.6	Very low	79 Å²	79	132 Å²	132	37%	0.369	57%	0.566	S	S	.	*	H	α-helix	trans	-78.2	-20.4	-176.7	-74.4	-171.6	29.5	0	0	114.7	M389 L390 S395 R396 R397	M389-Q393 VanDerWaalsContact O-CB 3.31Å; M389-Q393 WeakPolarHBondContact O-CB 3.35Å; M389-Q393 VanDerWaalsContact O-CG 3.3Å; M389-Q393 WeakPolarHBondContact O-CG 3.35Å; M389-Q393 PolarHBondContact O-N 3.43Å; L390-Q393 PolarHBondContact O-N 3.1Å; Q393-S395 PolarHBondContact O-N 3.12Å; Q393-R396 CarbonylContact O-C 3.57Å; Q393-R396 WeakPolarHBondContact O-CA 3.49Å; Q393-R396 PolarHBondContact O-N 3.1Å; Q393-R397 PolarHBondContact O-N 3.26Å
394	R	38.2	Very low	43.2	Very low	208 Å²	208	130.9 Å²	130.9	79%	0.785	57%	0.572	S	S	*	*	H	α-helix	trans	-60.9	-30.2	172.5	-84.8	-175.6	176	-168.5	-0.5	112	L390 R396	L390-R394 WeakPolarHBondContact O-CG 3.3Å; L390-R394 PolarHBondContact O-N 3.48Å; R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 3.3Å
395	S	39.2	Very low	41.6	Very low	87 Å²	87	135.5 Å²	135.5	61%	0.608	61%	0.611	S	S	*	*	H	α-helix	trans	-66.1	-29.2	168.5	77.8	0	0	0	0	113.3	S392 Q393	S392-S395 PolarHBondContact O-OG 3.36Å; Q393-S395 PolarHBondContact O-N 3.12Å
396	R	37.4	Very low	40	Very low	150 Å²	150	138.5 Å²	138.5	57%	0.566	65%	0.646	S	S	*	*	H	α-helix	trans	-90.2	-31.2	-177.5	-65.6	-175	177.2	-178	0.7	113.6	E362 Q393 R394 R398 R399	E362-R396 IonicContact OE1-NH2 2.82Å; Q393-R396 CarbonylContact O-C 3.57Å; Q393-R396 WeakPolarHBondContact O-CA 3.49Å; Q393-R396 PolarHBondContact O-N 3.1Å; R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 3.3Å; R396-R398 VanDerWaalsContact C-N 3.34Å; R396-R398 PolarHBondContact O-N 3.43Å; R396-R399 WeakPolarHBondContact O-CB 3.3Å; R396-R399 PolarHBondContact O-N 2.82Å
397	R	34	Very low	38.5	Very low	188 Å²	188	139.8 Å²	139.8	71%	0.709	66%	0.661	S	S	*	*	H	α-helix	trans	-70.3	-22.6	-177.6	-79.4	-168.1	179.1	-164.2	0.8	114.3	Q393 R399	Q393-R397 PolarHBondContact O-N 3.26Å; R397-R399 PolarHBondContact O-N 3.11Å; R397-R399 VanDerWaalsContact O-N 3.11Å
398	R	36.7	Very low	36.9	Very low	247 Å²	247	138.7 Å²	138.7	93%	0.932	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-5.9	166.9	-108.8	-176.2	178.6	177.8	-0.2	113.9	R396	R396-R398 VanDerWaalsContact C-N 3.34Å; R396-R398 PolarHBondContact O-N 3.43Å
399	R	39.3	Very low	35.4	Very low	218 Å²	218	140.5 Å²	140.5	82%	0.823	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	6.7	-177.8	-155.8	175.7	174.5	176.3	-3	114.5	R396 R397	R396-R399 WeakPolarHBondContact O-CB 3.3Å; R396-R399 PolarHBondContact O-N 2.82Å; R397-R399 PolarHBondContact O-N 3.11Å; R397-R399 VanDerWaalsContact O-N 3.11Å
400	R	37.4	Very low	34.3	Very low	226 Å²	226	144.5 Å²	144.5	85%	0.853	73%	0.732	S	S	*	*			trans	-141.8	64.3	-178.3	-151.6	179.4	-166.8	-172.1	3.1	113.8
401	Q	31.4	Very low	33.2	Very low	195 Å²	195	143.7 Å²	143.7	91%	0.911	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-99	137.8	149.1	-95.2	-178.5	-17.6	0	0	109.1
402	Q	31.8	Very low	33.1	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-77.3	147.4	-176.5	-70.3	163	-35.9	0	0	110.8
403	R	29.8	Very low	32.3	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.909	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.2	130.5	157.6	-81.7	174.4	149.6	-169.8	-9	108.6
404	P	31.5	Very low	31.7	Very low	126 Å²	126	146 Å²	146	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.4	132.7	150.4	13.5	2.1	0	0	0	109
405	A	29.1	Very low	31.1	Very low	105 Å²	105	141.7 Å²	141.7	87%	0.868	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-95	132.7	155.8	0	0	0	0	0	106.7
406	G	25.4	Very low	30.5	Very low	80 Å²	80	142.3 Å²	142.3	83%	0.825	81%	0.805	S	S	*	*			trans	-97.6	175	-168.1	0	0	0	0	0	114.8
407	S	27	Very low	30.1	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	82%	0.821	S	S	*	*			trans	-156.7	141.6	154	-176	0	0	0	0	111
408	S	26.5	Very low	29.8	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	83%	0.83	S	S	*	*			trans	50.9	107.5	149.3	57.5	0	0	0	0	121.4
409	G	23.7	Very low	29.4	Very low	67 Å²	67	136.5 Å²	136.5	69%	0.691	83%	0.825	S	S	*	*				110.5	129	102	0	0	0	0	0	120.1
410	S	28	Very low	28.9	Very low	130 Å²	130	135.4 Å²	135.4	91%	0.909	83%	0.825	S	S	*	*			trans	71	129.1	157.6	9.3	0	0	0	0	120
411	G	23.6	Very low	28.4	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	83%	0.829	S	S	*	*			trans	-98.3	-157.9	152.2	0	0	0	0	0	110.7
412	P	41.6	Very low	28.3	Very low	115 Å²	115	128 Å²	128	75%	0.747	82%	0.818	S	S	*	*			cis	-139.7	-166.2	9.2	42.2	-22.6	0	0	0	115.8
413	T	26.9	Very low	28	Very low	142 Å²	142	128.6 Å²	128.6	87%	0.871	82%	0.821	S	S	*	*			trans	75.5	140.4	152.8	44.3	0	0	0	0	123.4
414	G	27.3	Very low	28	Very low	71 Å²	71	122 Å²	122	73%	0.732	81%	0.812	S	S	*	*			trans	106	107.8	164.2	0	0	0	0	0	114.2
415	S	25.9	Very low	27.8	Very low	116 Å²	116	122.7 Å²	122.7	81%	0.811	81%	0.809	S	S	*	*			cis	105.9	112.3	34	66	0	0	0	0	113
416	A	26.4	Very low	28	Very low	100 Å²	100	125.2 Å²	125.2	83%	0.826	80%	0.802	S	S	*	*			trans	52.7	150.7	158.1	0	0	0	0	0	118.5
417	E	27.9	Very low	28.2	Very low	193 Å²	193	128.8 Å²	128.8	90%	0.902	80%	0.797	S	S	*	*			cis	-154.6	-179.4	44.2	-85.8	-172.4	144.9	0	0	113.3
418	E	28.2	Very low	28.3	Very low	191 Å²	191	129.8 Å²	129.8	89%	0.893	80%	0.799	S	S	*	*			trans	-80.8	165.6	179.2	-59.2	-173.3	117	0	0	114.1
419	G	28.2	Very low	28.3	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	80%	0.797	S	S	*	*			trans	-157.3	98.6	166.3	0	0	0	0	0	110.3
420	K	29.4	Very low	28.4	Very low	194 Å²	194	132.9 Å²	132.9	84%	0.843	81%	0.805	S	S	*	*			trans	-98.5	175.6	175.7	-110.5	-178.1	-179.5	175	0	110.7
421	E	27.6	Very low	28.5	Very low	200 Å²	200	131.9 Å²	131.9	94%	0.935	80%	0.798	S	S	*	*			trans	99.1	134.1	176.2	-59.8	174.8	-170.5	0	0	114
422	G	27.6	Very low	28.8	Very low	65 Å²	65	134.4 Å²	134.4	67%	0.67	81%	0.805	S	S	*	*			cis	164.4	144.1	-6.7	0	0	0	0	0	111.3
423	E	26.5	Very low	28.2	Very low	197 Å²	197	138.5 Å²	138.5	92%	0.921	81%	0.814	S	S	*	*			trans	58.7	169	165.7	-66.1	-178.1	151.4	0	0	117
424	S	29.1	Very low	28.2	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	81%	0.812	S	S	*	*			cis	-162.8	171.8	-38.2	66.4	0	0	0	0	107.8
425	D	28.2	Very low	28.2	Very low	140 Å²	140	139.6 Å²	139.6	75%	0.749	82%	0.817	S	S	*	*			cis	-155.7	166	-3.1	-144	-14.7	0	0	0	113.8
426	H	32.8	Very low	28.3	Very low	158 Å²	158	138.1 Å²	138.1	73%	0.731	81%	0.806	S	S	*	*			trans	52.4	139.1	142	-140.6	-82.6	0	0	0	125.3
427	E	29.1	Very low	28.4	Very low	155 Å²	155	144.9 Å²	144.9	72%	0.724	81%	0.811	S	S	*	*			trans	-72.8	164.9	174	-47.3	-151.4	141.3	0	0	114.5
428	T	28.9	Very low	28.2	Very low	130 Å²	130	141.5 Å²	141.5	80%	0.798	81%	0.807	S	S	*	*				-166.4	135.1	120.1	12.9	0	0	0	0	114.9
429	T	28	Very low	28.2	Very low	117 Å²	117	141.7 Å²	141.7	72%	0.718	81%	0.808	S	S	*	*			trans	-28.3	146.5	157	55.8	0	0	0	0	118.4
430	S	25.6	Very low	28.2	Very low	123 Å²	123	143.5 Å²	143.5	86%	0.86	80%	0.803	S	S	*	*				160.4	154.7	106.9	-165.2	0	0	0	0	113.2
431	S	29.6	Very low	28.2	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	80%	0.804	S	S	*	*			trans	-108.1	147.5	-175.4	52.5	0	0	0	0	113.5
432	S	29.3	Very low	28.2	Very low	123 Å²	123	136 Å²	136	86%	0.86	79%	0.79	S	S	*	*			trans	-162.2	152	150.9	53.1	0	0	0	0	113
433	E	29.3	Very low	28.2	Very low	201 Å²	201	141.9 Å²	141.9	94%	0.939	80%	0.797	S	S	*	*			trans	-88.2	153.7	174.7	-57.2	-173.7	121.9	0	0	111.6
434	G	27.4	Very low	28.2	Very low	81 Å²	81	140.6 Å²	140.6	84%	0.835	80%	0.795	S	S	*	*			trans	-168.7	86.7	-175.7	0	0	0	0	0	115.7
435	N	26.3	Very low	28.1	Very low	155 Å²	155	144.6 Å²	144.6	83%	0.829	80%	0.795	S	S	*	*			trans	-46.1	149.5	179.7	-168.1	6	0	0	0	118.4
436	S	28.4	Very low	28.3	Very low	85 Å²	85	144.3 Å²	144.3	59%	0.594	80%	0.801	S	S	*	*			trans	95.6	125.8	142.2	-87.2	0	0	0	0	124.8
437	R	28.7	Very low	27.9	Very low	242 Å²	242	140 Å²	140	91%	0.913	80%	0.799	S	S	*	*			trans	87.4	135.6	140.8	-72.9	178.8	177.3	167	-0	121.8
438	C	24.9	Very low	28	Very low	123 Å²	123	140.2 Å²	140.2	83%	0.831	80%	0.8	S	S	*	*			trans	-68.1	154.6	-171.3	-41.6	0	0	0	0	115.9
439	Q	27	Very low	27.9	Very low	195 Å²	195	141.7 Å²	141.7	91%	0.911	80%	0.803	S	S	*	*				-160.5	155.4	125.3	-109	171	44.1	0	0	112.2
440	T	27.9	Very low	27.8	Very low	118 Å²	118	145.3 Å²	145.3	72%	0.724	81%	0.812	S	S	*	*			trans	-88.3	168.9	180	43.5	0	0	0	0	112.3
441	P	30	Very low	27.9	Very low	131 Å²	131	146.1 Å²	146.1	85%	0.851	80%	0.804	S	S	*	*				-131.5	176.7	122.3	36.5	-27.5	0	0	0	113.8
442	T	26.7	Very low	27.8	Very low	106 Å²	106	150.2 Å²	150.2	65%	0.65	81%	0.811	S	S	*	*			trans	-136.6	136.9	-146.5	-62.9	0	0	0	0	113.7
443	K	29.4	Very low	27.7	Very low	187 Å²	187	151.3 Å²	151.3	81%	0.813	80%	0.802	S	S	*	*			trans	67.5	143.8	160.7	-77.2	173	-178.1	-177.8	0	117.2
444	L	25.4	Very low	27.8	Very low	170 Å²	170	150.5 Å²	150.5	89%	0.89	80%	0.798	S	S	*	*				-142.8	155.4	60	-81.3	158.4	0	0	0	115.2
445	R	27.7	Very low	27.9	Very low	187 Å²	187	155 Å²	155	71%	0.706	80%	0.798	S	S	*	*			trans	-99.8	161.2	165.3	-77	-172.1	170.1	-176.8	-3.3	109.5	E448	R445-E448 IonicContact NH1-OE1 3.19Å; R445-E448 PolarHBondContact NH1-OE1 3.4Å
446	P	32	Very low	28.2	Very low	135 Å²	135	153.1 Å²	153.1	88%	0.877	80%	0.795	S	S	*	*				-135.6	169.5	91	36.8	-24.2	0	0	0	112
447	G	25	Very low	28.6	Very low	67 Å²	67	154 Å²	154	69%	0.691	80%	0.8	S	S	*	*			cis	-147.8	179.4	-4.1	0	0	0	0	0	109.5
448	E	30.5	Very low	30	Very low	160 Å²	160	148.2 Å²	148.2	75%	0.748	79%	0.792	S	S	*	*			trans	-103.4	130.5	-177.9	-67.7	170.2	160	0	0	109.4	R445	R445-E448 IonicContact NH1-OE1 3.19Å; R445-E448 PolarHBondContact NH1-OE1 3.4Å
449	D	26.4	Very low	32.4	Very low	161 Å²	161	144.7 Å²	144.7	86%	0.861	77%	0.766	S	S	*	*			trans	-142	120.2	155	-92.2	-40.1	0	0	0	109.2
450	E	25.9	Very low	35.1	Very low	192 Å²	192	143.5 Å²	143.5	90%	0.897	76%	0.761	S	S	*	*			trans	43.3	122.5	160.3	-50.8	-156.7	136.4	0	0	122.1
451	M	28.8	Very low	38	Very low	141 Å²	141	140 Å²	140	70%	0.695	73%	0.734	S	S	*	*			trans	-86.3	104.9	178	175.5	-174.9	82.5	0	0	110.7	Q453	M451-Q453 HydrophobicContact CG-CG 3.69Å; M451-Q453 HydrophobicContact SD-CG 3.89Å; M451-Q453 PolarHBondContact SD-NE2 3.08Å
452	E	27.2	Very low	40.9	Very low	194 Å²	194	136.3 Å²	136.3	91%	0.907	71%	0.711	S	S	*	*			trans	-95	100.6	146.7	-77.8	-164.1	153.7	0	0	108.9	Q454	E452-Q454 PolarHBondContact O-N 3.44Å
453	Q	27.5	Very low	43.9	Very low	147 Å²	147	132 Å²	132	69%	0.687	69%	0.689	S	S	*	*			trans	-67	88.3	164.4	-82.2	162.2	-19	0	0	108.3	M451 E455	M451-Q453 HydrophobicContact CG-CG 3.69Å; M451-Q453 HydrophobicContact SD-CG 3.89Å; M451-Q453 PolarHBondContact SD-NE2 3.08Å; Q453-E455 VanDerWaalsContact C-N 3.29Å; Q453-E455 PolarHBondContact O-N 3.23Å
454	Q	31.5	Very low	46.8	Very low	183 Å²	183	124.3 Å²	124.3	86%	0.855	66%	0.66	S	S	*	*			trans	-64.3	99	162.4	-175.1	129.8	58.4	0	0	107.7	E452 C456	E452-Q454 PolarHBondContact O-N 3.44Å; Q454-C456 PolarHBondContact O-N 2.94Å
455	E	28.2	Very low	49.9	Very low	176 Å²	176	117.3 Å²	117.3	82%	0.822	62%	0.623	S	S	*	*			trans	-48.8	115.4	170.4	-67.9	-173.8	136.9	0	0	108.2	Q453 C457	Q453-E455 VanDerWaalsContact C-N 3.29Å; Q453-E455 PolarHBondContact O-N 3.23Å; E455-C457 PolarHBondContact O-N 3.26Å
456	C	33.5	Very low	52.9	Low	115 Å²	115	110.4 Å²	110.4	78%	0.777	60%	0.598	S	S	*	*			trans	-69.3	90.4	173.5	-173.9	0	0	0	0	107.1	Q454 V458	Q454-C456 PolarHBondContact O-N 2.94Å; C456-V458 PolarHBondContact O-N 3.36Å
457	C	36.6	Very low	55.8	Low	103 Å²	103	104 Å²	104	70%	0.696	56%	0.557	S	S	*	*			trans	-54.3	104.3	171.5	-178	0	0	0	0	107.3	E455 V459	E455-C457 PolarHBondContact O-N 3.26Å; C457-V459 VanDerWaalsContact C-N 3.26Å; C457-V459 PolarHBondContact O-N 2.87Å
458	V	58.5	Low	59	Low	122 Å²	122	103.6 Å²	103.6	74%	0.739	54%	0.538	S	S	*	.			trans	-69.5	92.1	178.9	-179.3	0	0	0	0	106.8	C456 Q460	C456-V458 PolarHBondContact O-N 3.36Å; V458-Q460 PolarHBondContact O-N 2.84Å
459	V	74.9	Confident	61.9	Low	49 Å²	49	96 Å²	96	30%	0.297	50%	0.503	S	S	.	.			trans	-57.3	105.5	-179	179	0	0	0	0	107.9	C457 W461 K490 Q494	C457-V459 VanDerWaalsContact C-N 3.26Å; C457-V459 PolarHBondContact O-N 2.87Å; V459-W461 VanDerWaalsContact O-CD1 3.27Å; V459-K490 HydrophobicContact CG1-CD 3.95Å; V459-Q494 HydrophobicContact CG1-CG 4.27Å; V459-Q494 HydrophobicContact CG2-CG 4.15Å
460	Q	83.3	Confident	64.9	Low	169 Å²	169	89.9 Å²	89.9	79%	0.79	47%	0.468	S	S	*	.			trans	-71.1	133.7	179.1	-66.6	-174.5	-6.8	0	0	109.2	V458 K490	V458-Q460 PolarHBondContact O-N 2.84Å; Q460-K490 WeakPolarHBondContact O-CE 3.3Å; Q460-K490 PolarHBondContact O-NZ 3.33Å
461	W	88.9	Confident	68	Low	44 Å²	44	81.7 Å²	81.7	17%	0.167	43%	0.431	C	S	.	.			trans	-108.6	128.1	172.5	-74.4	72.5	0	0	0	108.4	V459 E465 E466 F469 I487 K490 V495 F498	V459-W461 VanDerWaalsContact O-CD1 3.27Å; W461-E465 HydrophobicContact CE3-CB 3.7Å; W461-E465 HydrophobicContact CZ3-CB 4.16Å; W461-E466 HydrophobicContact CB-CG 3.69Å; W461-E466 HydrophobicContact CE3-CG 4.32Å; W461-E466 HydrophobicContact CG-CG 4.47Å; W461-F469 HydrophobicContact CZ3-CB 3.94Å; W461-F469 HydrophobicContact CZ3-CG 4.43Å; W461-I487 HydrophobicContact CH2-CD1 4.47Å; W461-I487 HydrophobicContact CZ3-CD1 4.36Å; W461-K490 HydrophobicContact CH2-CB 4.36Å; W461-K490 HydrophobicContact CH2-CG 3.91Å; W461-K490 HydrophobicContact CZ2-CB 4.47Å; W461-K490 HydrophobicContact CZ2-CD 4.16Å; W461-K490 HydrophobicContact CZ2-CG 3.97Å; W461-K490 HydrophobicContact CZ3-CG 4.25Å; W461-V495 HydrophobicContact CH2-CG2 4.23Å; W461-F498 HydrophobicContact CB-CE2 4.27Å; W461-F498 AromaticContact CD1-CD2 3.81Å; W461-F498 AromaticContact CD2-CD2 3.51Å; W461-F498 HydrophobicContact CD2-CD2 3.51Å; W461-F498 AromaticContact CD2-CE2 3.77Å; W461-F498 HydrophobicContact CD2-CE2 3.77Å; W461-F498 HydrophobicContact CD2-CG 4.07Å; W461-F498 AromaticContact CE2-CD2 3.42Å; W461-F498 VanDerWaalsContact CE2-CD2 3.42Å; W461-F498 AromaticContact CE2-CG 3.74Å; W461-F498 HydrophobicContact CE3-CD2 4.05Å; W461-F498 HydrophobicContact CE3-CE2 4.11Å; W461-F498 HydrophobicContact CE3-CG 4.29Å; W461-F498 HydrophobicContact CE3-CZ 4.42Å; W461-F498 AromaticContact CG-CD2 3.8Å; W461-F498 HydrophobicContact CG-CD2 3.8Å; W461-F498 AromaticContact CG-CE2 3.83Å; W461-F498 HydrophobicContact CG-CE2 3.83Å; W461-F498 HydrophobicContact CH2-CB 3.92Å; W461-F498 HydrophobicContact CH2-CD1 4.31Å; W461-F498 HydrophobicContact CH2-CD2 4.39Å; W461-F498 AromaticContact CH2-CG 3.96Å; W461-F498 HydrophobicContact CH2-CG 3.96Å; W461-F498 HydrophobicContact CZ2-CB 3.44Å; W461-F498 VanDerWaalsContact CZ2-CB 3.44Å; W461-F498 HydrophobicContact CZ2-CD1 4.5Å; W461-F498 AromaticContact CZ2-CD2 3.91Å; W461-F498 HydrophobicContact CZ2-CD2 3.91Å; W461-F498 AromaticContact CZ2-CG 3.7Å; W461-F498 HydrophobicContact CZ2-CG 3.7Å; W461-F498 HydrophobicContact CZ3-CD1 4.35Å; W461-F498 HydrophobicContact CZ3-CD2 4.46Å; W461-F498 HydrophobicContact CZ3-CG 4.25Å; W461-F498 AromaticContact NE1-CD2 3.6Å
462	S	91.3	Very high	70.9	Confident	54 Å²	54	75.9 Å²	75.9	38%	0.378	40%	0.402	S	S	.	.			trans	-78.3	156	171.3	61.4	0	0	0	0	110.9	A464 E465 E466	S462-A464 PolarHBondContact O-N 3.03Å; S462-A464 VanDerWaalsContact O-N 3.13Å; S462-E465 WeakPolarHBondContact CB-OE2 3.43Å; S462-E465 PolarHBondContact N-OE2 2.85Å; S462-E465 PolarHBondContact O-N 2.59Å; S462-E465 VanDerWaalsContact OG-CD 3.29Å; S462-E465 VanDerWaalsContact OG-CG 3.22Å; S462-E465 WeakPolarHBondContact OG-CG 3.38Å; S462-E465 PolarHBondContact OG-N 2.76Å; S462-E465 PolarHBondContact OG-OE2 3.38Å; S462-E466 PolarHBondContact O-N 3.49Å
463	G	88.6	Confident	73.8	Confident	17 Å²	17	67.3 Å²	67.3	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-57.6	-28.3	176.7	0	0	0	0	0	113.6	S467	G463-S467 VanDerWaalsContact O-CB 3.29Å; G463-S467 WeakPolarHBondContact O-CB 3.4Å; G463-S467 PolarHBondContact O-N 3.43Å; G463-S467 PolarHBondContact O-OG 3.16Å
464	A	90.6	Very high	76.4	Confident	24 Å²	24	61.7 Å²	61.7	20%	0.198	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-50.9	171.7	0	0	0	0	0	112.2	L314 A319 S462 S467 L468	L314-A464 VanDerWaalsContact O-CB 3.25Å; L314-A464 WeakPolarHBondContact O-CB 3.36Å; A319-A464 HydrophobicContact CB-CB 3.92Å; S462-A464 PolarHBondContact O-N 3.03Å; S462-A464 VanDerWaalsContact O-N 3.13Å; A464-S467 PolarHBondContact O-N 3.02Å; A464-L468 VanDerWaalsContact O-CB 3.23Å; A464-L468 WeakPolarHBondContact O-CB 3.35Å; A464-L468 PolarHBondContact O-N 2.76Å
465	E	92	Very high	78.9	Confident	24 Å²	24	55.5 Å²	55.5	11%	0.112	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-41.8	-179.9	-70.5	165.1	125.1	0	0	112.5	W461 S462 L468 F469 T489 K490	W461-E465 HydrophobicContact CE3-CB 3.7Å; W461-E465 HydrophobicContact CZ3-CB 4.16Å; S462-E465 WeakPolarHBondContact CB-OE2 3.43Å; S462-E465 PolarHBondContact N-OE2 2.85Å; S462-E465 PolarHBondContact O-N 2.59Å; S462-E465 VanDerWaalsContact OG-CD 3.29Å; S462-E465 VanDerWaalsContact OG-CG 3.22Å; S462-E465 WeakPolarHBondContact OG-CG 3.38Å; S462-E465 PolarHBondContact OG-N 2.76Å; S462-E465 PolarHBondContact OG-OE2 3.38Å; E465-L468 PolarHBondContact O-N 3.11Å; E465-F469 VanDerWaalsContact O-CB 3.28Å; E465-F469 WeakPolarHBondContact O-CB 3.24Å; E465-F469 PolarHBondContact O-N 2.75Å; E465-T489 WeakPolarHBondContact OE1-CB 3.49Å; E465-T489 PolarHBondContact OE1-OG1 3.41Å; E465-K490 VanDerWaalsContact CD-NZ 3.3Å; E465-K490 WeakPolarHBondContact OE1-CE 3.18Å; E465-K490 IonicContact OE1-NZ 2.74Å; E465-K490 PolarHBondContact OE1-NZ 2.94Å; E465-K490 IonicContact OE2-NZ 2.72Å; E465-K490 PolarHBondContact OE2-NZ 3.14Å
466	E	90.4	Very high	81.6	Confident	42 Å²	42	51 Å²	51	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-45	177.1	-62.6	-165.8	161.7	0	0	111.6	S321 W461 S462 F469 R470 F498	S321-E466 WeakPolarHBondContact CB-OE2 3.36Å; S321-E466 PolarHBondContact OG-OE2 3.26Å; W461-E466 HydrophobicContact CB-CG 3.69Å; W461-E466 HydrophobicContact CE3-CG 4.32Å; W461-E466 HydrophobicContact CG-CG 4.47Å; S462-E466 PolarHBondContact O-N 3.49Å; E466-F469 PolarHBondContact O-N 2.94Å; E466-R470 WeakPolarHBondContact O-CG 3.19Å; E466-R470 PolarHBondContact O-N 2.99Å; E466-R470 IonicContact OE2-NH2 2.66Å; E466-F498 HydrophobicContact CB-CZ 4.02Å; E466-F498 HydrophobicContact CG-CE2 3.91Å; E466-F498 HydrophobicContact CG-CZ 3.63Å
467	S	91.4	Very high	83.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-43.2	178.3	-58.8	0	0	0	0	111.7	K320 S321 V322 G463 A464 R470 V471	K320-S467 PolarHBondContact O-OG 3.39Å; K320-S467 VanDerWaalsContact O-OG 3.06Å; S321-S467 WeakPolarHBondContact CA-OG 3.49Å; V322-S467 WeakPolarHBondContact CG2-OG 3.17Å; V322-S467 PolarHBondContact N-OG 3.1Å; G463-S467 VanDerWaalsContact O-CB 3.29Å; G463-S467 WeakPolarHBondContact O-CB 3.4Å; G463-S467 PolarHBondContact O-N 3.43Å; G463-S467 PolarHBondContact O-OG 3.16Å; A464-S467 PolarHBondContact O-N 3.02Å; S467-R470 PolarHBondContact O-N 3.11Å; S467-V471 WeakPolarHBondContact O-CG2 3.2Å; S467-V471 PolarHBondContact O-N 2.84Å
468	L	92.4	Very high	86	Confident	59 Å²	59	43.2 Å²	43.2	31%	0.309	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-41.1	176.2	-179.3	60.4	0	0	0	111.1	A464 E465 V471 L472 I487	A464-L468 VanDerWaalsContact O-CB 3.23Å; A464-L468 WeakPolarHBondContact O-CB 3.35Å; A464-L468 PolarHBondContact O-N 2.76Å; E465-L468 PolarHBondContact O-N 3.11Å; L468-V471 PolarHBondContact O-N 3.22Å; L468-L472 HydrophobicContact CD1-CD1 4.03Å; L468-L472 HydrophobicContact CD1-CG 4.06Å; L468-L472 HydrophobicContact CG-CD1 3.86Å; L468-L472 HydrophobicContact CG-CG 4.31Å; L468-L472 WeakPolarHBondContact O-CB 3.45Å; L468-L472 VanDerWaalsContact O-CG 3.28Å; L468-L472 WeakPolarHBondContact O-CG 3.49Å; L468-L472 PolarHBondContact O-N 3.44Å; L468-I487 HydrophobicContact CD2-CG1 4.22Å; L468-I487 HydrophobicContact CG-CG1 4.36Å
469	F	91.7	Very high	87.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-48.1	173.5	167	-92.5	0	0	0	111.8	W461 E465 E466 V471 L472 H473 I483 I487 V495 F498 A499 L504	W461-F469 HydrophobicContact CZ3-CB 3.94Å; W461-F469 HydrophobicContact CZ3-CG 4.43Å; E465-F469 VanDerWaalsContact O-CB 3.28Å; E465-F469 WeakPolarHBondContact O-CB 3.24Å; E465-F469 PolarHBondContact O-N 2.75Å; E466-F469 PolarHBondContact O-N 2.94Å; F469-V471 VanDerWaalsContact C-N 3.3Å; F469-V471 PolarHBondContact O-N 3.36Å; F469-L472 PolarHBondContact O-N 3.21Å; F469-H473 HydrophobicContact CE1-CB 4.49Å; F469-H473 HydrophobicContact CZ-CB 4.26Å; F469-H473 WeakPolarHBondContact O-CB 3.31Å; F469-H473 PolarHBondContact O-N 2.77Å; F469-I483 HydrophobicContact CD2-CG2 3.99Å; F469-I483 HydrophobicContact CE2-CG2 4.47Å; F469-I487 HydrophobicContact CB-CD1 4.01Å; F469-I487 HydrophobicContact CD2-CD1 4.4Å; F469-V495 HydrophobicContact CD2-CG1 4.04Å; F469-V495 HydrophobicContact CE2-CG1 3.86Å; F469-F498 AromaticContact CD1-CD1 3.42Å; F469-F498 HydrophobicContact CD1-CD1 3.42Å; F469-F498 VanDerWaalsContact CD1-CD1 3.42Å; F469-F498 AromaticContact CD1-CE1 3.4Å; F469-F498 HydrophobicContact CD1-CE1 3.4Å; F469-F498 HydrophobicContact CD2-CD1 4.37Å; F469-F498 AromaticContact CE1-CD1 3.5Å; F469-F498 HydrophobicContact CE1-CD1 3.5Å; F469-F498 AromaticContact CE1-CE1 3.75Å; F469-F498 HydrophobicContact CE1-CE1 3.75Å; F469-F498 HydrophobicContact CE2-CD1 4.44Å; F469-F498 AromaticContact CG-CD1 3.89Å; F469-F498 HydrophobicContact CG-CD1 3.89Å; F469-F498 HydrophobicContact CG-CE1 4.1Å; F469-F498 HydrophobicContact CZ-CD1 4.06Å; F469-A499 HydrophobicContact CE2-CB 4.17Å; F469-A499 HydrophobicContact CZ-CB 3.65Å; F469-L504 HydrophobicContact CE1-CD1 3.95Å
470	R	90.1	Very high	87.8	Confident	32 Å²	32	35.5 Å²	35.5	12%	0.121	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-37.8	177.6	-69.3	174.2	-171.3	144.6	7.2	112	S321 V322 E466 S467 G474 E502	S321-R470 PolarHBondContact OG-NH1 2.94Å; S321-R470 PolarHBondContact OG-NH2 3.08Å; V322-R470 WeakPolarHBondContact O-CD 3.35Å; V322-R470 PolarHBondContact O-NH1 3.13Å; E466-R470 WeakPolarHBondContact O-CG 3.19Å; E466-R470 PolarHBondContact O-N 2.99Å; E466-R470 IonicContact OE2-NH2 2.66Å; S467-R470 PolarHBondContact O-N 3.11Å; R470-G474 PolarHBondContact O-N 3.27Å; R470-E502 IonicContact CZ-OE1 3.59Å; R470-E502 IonicContact NE-OE1 2.65Å; R470-E502 PolarHBondContact NE-OE1 3.27Å; R470-E502 IonicContact NE-OE2 2.67Å; R470-E502 PolarHBondContact NE-OE2 2.92Å; R470-E502 IonicContact NH2-OE1 2.81Å; R470-E502 PolarHBondContact NH2-OE1 3.08Å
471	V	90.5	Very high	87.8	Confident	21 Å²	21	27.8 Å²	27.8	13%	0.127	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-50.5	172.2	169.2	0	0	0	0	110.9	R324 L328 S467 L468 F469 G474 T475	R324-V471 HydrophobicContact CB-CG2 4.44Å; R324-V471 HydrophobicContact CG-CG2 4.28Å; R324-V471 PolarHBondContact NH1-O 2.92Å; L328-V471 HydrophobicContact CD1-CG1 4.29Å; L328-V471 HydrophobicContact CD2-CG1 4.19Å; L328-V471 HydrophobicContact CG-CG1 4.42Å; L328-V471 HydrophobicContact CG-CG2 4.21Å; S467-V471 WeakPolarHBondContact O-CG2 3.2Å; S467-V471 PolarHBondContact O-N 2.84Å; L468-V471 PolarHBondContact O-N 3.22Å; F469-V471 VanDerWaalsContact C-N 3.3Å; F469-V471 PolarHBondContact O-N 3.36Å; V471-G474 PolarHBondContact O-N 3.11Å; V471-T475 PolarHBondContact O-N 3.19Å; V471-T475 PolarHBondContact O-OG1 3.11Å
472	L	90	Very high	87.7	Confident	18 Å²	18	26.8 Å²	26.8	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-67	-40.7	-177.9	-70.6	173.4	0	0	0	112.4	L468 F469 G474 T475 Y476 I483 L486 I487	L468-L472 HydrophobicContact CD1-CD1 4.03Å; L468-L472 HydrophobicContact CD1-CG 4.06Å; L468-L472 HydrophobicContact CG-CD1 3.86Å; L468-L472 HydrophobicContact CG-CG 4.31Å; L468-L472 WeakPolarHBondContact O-CB 3.45Å; L468-L472 VanDerWaalsContact O-CG 3.28Å; L468-L472 WeakPolarHBondContact O-CG 3.49Å; L468-L472 PolarHBondContact O-N 3.44Å; F469-L472 PolarHBondContact O-N 3.21Å; L472-G474 PolarHBondContact O-N 3.35Å; L472-T475 CarbonylContact O-C 3.26Å; L472-T475 PolarHBondContact O-N 3.11Å; L472-Y476 HydrophobicContact CB-CD2 4.48Å; L472-Y476 HydrophobicContact CD2-CD2 3.99Å; L472-Y476 HydrophobicContact CD2-CE2 3.83Å; L472-Y476 WeakPolarHBondContact O-CB 3.46Å; L472-Y476 PolarHBondContact O-N 2.8Å; L472-I483 HydrophobicContact CB-CG1 4.14Å; L472-I483 HydrophobicContact CB-CG2 4.02Å; L472-I483 HydrophobicContact CD1-CG2 4.2Å; L472-L486 HydrophobicContact CD1-CB 3.79Å; L472-L486 HydrophobicContact CD2-CB 4.23Å; L472-L486 HydrophobicContact CD2-CD1 3.8Å; L472-I487 HydrophobicContact CD1-CD1 4.39Å; L472-I487 HydrophobicContact CD1-CG1 3.7Å
473	H	86.9	Confident	87.6	Confident	15 Å²	15	24.2 Å²	24.2	7%	0.069	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-43.2	176	-175.6	-97.3	0	0	0	111.9	F469 T475 F477 N478 I483	F469-H473 HydrophobicContact CE1-CB 4.49Å; F469-H473 HydrophobicContact CZ-CB 4.26Å; F469-H473 WeakPolarHBondContact O-CB 3.31Å; F469-H473 PolarHBondContact O-N 2.77Å; H473-T475 PolarHBondContact O-N 2.84Å; H473-T475 VanDerWaalsContact O-N 3.15Å; H473-F477 PolarHBondContact CD2-O 3.15Å; H473-F477 WeakPolarHBondContact O-CA 3.42Å; H473-F477 PolarHBondContact O-N 2.76Å; H473-N478 PolarHBondContact NE2-OD1 2.99Å; H473-N478 VanDerWaalsContact NE2-OD1 3.14Å; H473-I483 HydrophobicContact CB-CD1 4.46Å
474	G	82.5	Confident	87.7	Confident	29 Å²	29	23.8 Å²	23.8	30%	0.299	13%	0.13	S	C	.	.	H	α-helix	trans	-65.7	-15.5	174.6	0	0	0	0	0	115	R470 V471 L472	R470-G474 PolarHBondContact O-N 3.27Å; V471-G474 PolarHBondContact O-N 3.11Å; L472-G474 PolarHBondContact O-N 3.35Å
475	T	85.4	Confident	87.6	Confident	53 Å²	53	33.2 Å²	33.2	33%	0.325	16%	0.161	S	C	.	.	H	α-helix	trans	-104.7	-35.2	-179.4	-62.3	0	0	0	0	113.1	R324 I363 V471 L472 H473	R324-T475 VanDerWaalsContact NH1-N 3.2Å; R324-T475 PolarHBondContact NH1-OG1 3.35Å; I363-T475 WeakPolarHBondContact CD1-O 3.27Å; V471-T475 PolarHBondContact O-N 3.19Å; V471-T475 PolarHBondContact O-OG1 3.11Å; L472-T475 CarbonylContact O-C 3.26Å; L472-T475 PolarHBondContact O-N 3.11Å; H473-T475 PolarHBondContact O-N 2.84Å; H473-T475 VanDerWaalsContact O-N 3.15Å
476	Y	83.3	Confident	87.6	Confident	80 Å²	80	36.2 Å²	36.2	31%	0.314	18%	0.177	S	C	.	.	H	α-helix	trans	-108.6	-2.8	-176.4	-70.6	-84.6	0	0	0	113.3	L472 N478 N479 L486	L472-Y476 HydrophobicContact CB-CD2 4.48Å; L472-Y476 HydrophobicContact CD2-CD2 3.99Å; L472-Y476 HydrophobicContact CD2-CE2 3.83Å; L472-Y476 WeakPolarHBondContact O-CB 3.46Å; L472-Y476 PolarHBondContact O-N 2.8Å; Y476-N478 PolarHBondContact O-N 3.41Å; Y476-N479 PolarHBondContact O-N 3.43Å; Y476-L486 HydrophobicContact CD2-CD1 4.12Å; Y476-L486 HydrophobicContact CE1-CD1 4.31Å; Y476-L486 HydrophobicContact CE2-CD1 3.41Å; Y476-L486 VanDerWaalsContact CE2-CD1 3.41Å
477	F	82.8	Confident	87.6	Confident	48 Å²	48	35 Å²	35	21%	0.211	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	-126.5	-174.1	-55.4	-63.6	0	0	0	111	K361 I363 H473 N479 I483	K361-F477 HydrophobicContact CB-CE2 4.14Å; K361-F477 HydrophobicContact CG-CE2 4.13Å; K361-F477 HydrophobicContact CG-CZ 4.09Å; I363-F477 HydrophobicContact CD1-CD2 3.55Å; I363-F477 HydrophobicContact CD1-CE2 3.86Å; I363-F477 HydrophobicContact CG1-CD2 4.05Å; I363-F477 HydrophobicContact CG1-CE2 4.33Å; H473-F477 PolarHBondContact CD2-O 3.15Å; H473-F477 WeakPolarHBondContact O-CA 3.42Å; H473-F477 PolarHBondContact O-N 2.76Å; F477-N479 VanDerWaalsContact C-N 3.3Å; F477-N479 PolarHBondContact O-N 3.43Å; F477-I483 WeakPolarHBondContact O-CD1 3.3Å
478	N	81.3	Confident	87.6	Confident	8 Å²	8	38.1 Å²	38.1	4%	0.043	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	19.4	-175.4	-62	-25	0	0	0	113.6	M365 F384 N388 H473 Y476 F480	M365-N478 HydrophobicContact CE-CB 4.45Å; F384-N478 HydrophobicContact CE1-CB 4.2Å; F384-N478 HydrophobicContact CZ-CB 3.97Å; N388-N478 PolarHBondContact ND2-ND2 3.22Å; H473-N478 PolarHBondContact NE2-OD1 2.99Å; H473-N478 VanDerWaalsContact NE2-OD1 3.14Å; Y476-N478 PolarHBondContact O-N 3.41Å; N478-F480 VanDerWaalsContact C-N 3.3Å; N478-F480 HydrophobicContact CB-CE2 4.04Å; N478-F480 HydrophobicContact CB-CZ 3.94Å; N478-F480 WeakPolarHBondContact O-CD2 3.25Å; N478-F480 PolarHBondContact O-N 2.81Å; N478-F480 VanDerWaalsContact O-N 3.11Å
479	N	83.9	Confident	87.5	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.043	22%	0.216	C	C	.	.			trans	-82.7	76.8	170.9	-171.6	-18.6	0	0	0	110.5	I363 R364 Y476 F477 C481 S482 I483	I363-N479 HydrophobicContact CG2-CB 4.35Å; R364-N479 PolarHBondContact O-ND2 3.29Å; Y476-N479 PolarHBondContact O-N 3.43Å; F477-N479 VanDerWaalsContact C-N 3.3Å; F477-N479 PolarHBondContact O-N 3.43Å; N479-C481 VanDerWaalsContact C-N 3.25Å; N479-C481 PolarHBondContact O-N 3.04Å; N479-C481 PolarHBondContact OD1-N 2.71Å; N479-S482 VanDerWaalsContact CG-OG 3.3Å; N479-S482 PolarHBondContact ND2-OG 2.78Å; N479-S482 VanDerWaalsContact ND2-OG 3.08Å; N479-S482 PolarHBondContact O-N 3.39Å; N479-S482 PolarHBondContact OD1-N 3.03Å; N479-S482 PolarHBondContact OD1-OG 3.2Å; N479-I483 VanDerWaalsContact O-CG1 3.3Å; N479-I483 WeakPolarHBondContact O-CG1 3.45Å; N479-I483 PolarHBondContact O-N 3.43Å; N479-I483 VanDerWaalsContact O-N 3.14Å
480	F	85.6	Confident	87.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-23.5	-177.9	-53	-60.5	0	0	0	113.6	F375 F384 N478 I483 A484 C492 V495 Y496 A499	F375-F480 HydrophobicContact CD1-CB 4.25Å; F375-F480 HydrophobicContact CD1-CD2 4.47Å; F375-F480 AromaticContact CD2-CD2 3.99Å; F375-F480 HydrophobicContact CD2-CD2 3.99Å; F375-F480 HydrophobicContact CE1-CB 4.43Å; F375-F480 HydrophobicContact CE1-CD2 4.38Å; F375-F480 AromaticContact CE2-CD2 3.91Å; F375-F480 HydrophobicContact CE2-CD2 3.91Å; F375-F480 HydrophobicContact CE2-CE2 4.44Å; F375-F480 HydrophobicContact CG-CD2 4.27Å; F375-F480 HydrophobicContact CZ-CD2 4.1Å; F384-F480 AromaticContact CE1-CE2 3.71Å; F384-F480 HydrophobicContact CE1-CE2 3.71Å; F384-F480 HydrophobicContact CZ-CE2 4.07Å; F384-F480 HydrophobicContact CZ-CZ 4.46Å; N478-F480 VanDerWaalsContact C-N 3.3Å; N478-F480 HydrophobicContact CB-CE2 4.04Å; N478-F480 HydrophobicContact CB-CZ 3.94Å; N478-F480 WeakPolarHBondContact O-CD2 3.25Å; N478-F480 PolarHBondContact O-N 2.81Å; N478-F480 VanDerWaalsContact O-N 3.11Å; F480-I483 HydrophobicContact CD1-CD1 4.22Å; F480-A484 WeakPolarHBondContact O-CB 3.32Å; F480-A484 PolarHBondContact O-N 2.84Å; F480-C492 VanDerWaalsContact C-SG 3.59Å; F480-V495 HydrophobicContact CB-CG1 4.07Å; F480-V495 HydrophobicContact CD1-CG1 4Å; F480-V495 HydrophobicContact CG-CG1 4.47Å; F480-Y496 AromaticContact CD2-CD2 3.79Å; F480-Y496 HydrophobicContact CD2-CD2 3.79Å; F480-Y496 AromaticContact CE2-CD2 3.6Å; F480-Y496 HydrophobicContact CE2-CD2 3.6Å; F480-Y496 HydrophobicContact CE2-CE2 4.19Å; F480-Y496 HydrophobicContact CZ-CD2 4.29Å; F480-A499 HydrophobicContact CD1-CB 4.36Å; F480-A499 HydrophobicContact CE1-CB 3.58Å; F480-A499 HydrophobicContact CZ-CB 3.99Å
481	C	85.1	Confident	87.4	Confident	7 Å²	7	41.3 Å²	41.3	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-51	173.9	-62.6	0	0	0	0	111.1	E366 C370 N479 R485	E366-C481 WeakPolarHBondContact OE2-CB 3.26Å; C370-C481 HydrophobicContact CB-CB 4.06Å; C370-C481 VanDerWaalsContact SG-SG 3.65Å; N479-C481 VanDerWaalsContact C-N 3.25Å; N479-C481 PolarHBondContact O-N 3.04Å; N479-C481 PolarHBondContact OD1-N 2.71Å; C481-R485 WeakPolarHBondContact O-CB 3.37Å; C481-R485 PolarHBondContact O-N 3.1Å; C481-R485 VanDerWaalsContact O-N 3.1Å
482	S	86.4	Confident	87.3	Confident	23 Å²	23	40.6 Å²	40.6	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-36.4	175.5	-56.6	0	0	0	0	112.6	N479 R485 L486	N479-S482 VanDerWaalsContact CG-OG 3.3Å; N479-S482 PolarHBondContact ND2-OG 2.78Å; N479-S482 VanDerWaalsContact ND2-OG 3.08Å; N479-S482 PolarHBondContact O-N 3.39Å; N479-S482 PolarHBondContact OD1-N 3.03Å; N479-S482 PolarHBondContact OD1-OG 3.2Å; S482-R485 PolarHBondContact O-N 3.21Å; S482-L486 VanDerWaalsContact O-CG 3.29Å; S482-L486 WeakPolarHBondContact O-CG 3.33Å; S482-L486 PolarHBondContact O-N 2.87Å; S482-L486 VanDerWaalsContact O-N 3.1Å
483	I	88.7	Confident	87.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-48.2	177.5	-64.8	167.2	0	0	0	110.8	F469 L472 H473 F477 N479 F480 R485 L486 I487 V495	F469-I483 HydrophobicContact CD2-CG2 3.99Å; F469-I483 HydrophobicContact CE2-CG2 4.47Å; L472-I483 HydrophobicContact CB-CG1 4.14Å; L472-I483 HydrophobicContact CB-CG2 4.02Å; L472-I483 HydrophobicContact CD1-CG2 4.2Å; H473-I483 HydrophobicContact CB-CD1 4.46Å; F477-I483 WeakPolarHBondContact O-CD1 3.3Å; N479-I483 VanDerWaalsContact O-CG1 3.3Å; N479-I483 WeakPolarHBondContact O-CG1 3.45Å; N479-I483 PolarHBondContact O-N 3.43Å; N479-I483 VanDerWaalsContact O-N 3.14Å; F480-I483 HydrophobicContact CD1-CD1 4.22Å; I483-R485 VanDerWaalsContact C-N 3.34Å; I483-R485 PolarHBondContact O-N 3.24Å; I483-L486 PolarHBondContact O-N 3.32Å; I483-L486 VanDerWaalsContact O-N 3.11Å; I483-I487 HydrophobicContact CG2-CD1 3.75Å; I483-I487 HydrophobicContact CG2-CG1 4.38Å; I483-I487 WeakPolarHBondContact O-CG1 3.33Å; I483-I487 PolarHBondContact O-N 3.13Å; I483-V495 HydrophobicContact CB-CG1 4.06Å; I483-V495 HydrophobicContact CG2-CG1 3.66Å
484	A	90.1	Very high	87.1	Confident	8 Å²	8	45 Å²	45	7%	0.066	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-43.6	176.9	0	0	0	0	0	112.2	F480 L486 I487 G488 C492 V495	F480-A484 WeakPolarHBondContact O-CB 3.32Å; F480-A484 PolarHBondContact O-N 2.84Å; A484-L486 PolarHBondContact O-N 2.87Å; A484-I487 PolarHBondContact O-N 3.04Å; A484-G488 PolarHBondContact O-N 3.26Å; A484-C492 HydrophobicContact CB-CB 4.09Å; A484-V495 HydrophobicContact CB-CB 4.39Å; A484-V495 HydrophobicContact CB-CG2 3.84Å
485	R	89.8	Confident	87.3	Confident	222 Å²	222	43.6 Å²	43.6	84%	0.838	23%	0.226	S	C	*	.	H	α-helix	trans	-59.1	-32.3	175	-174.1	-179.3	177.9	99.3	5	113.3	C481 S482 I483	C481-R485 WeakPolarHBondContact O-CB 3.37Å; C481-R485 PolarHBondContact O-N 3.1Å; C481-R485 VanDerWaalsContact O-N 3.1Å; S482-R485 PolarHBondContact O-N 3.21Å; I483-R485 VanDerWaalsContact C-N 3.34Å; I483-R485 PolarHBondContact O-N 3.24Å
486	L	91	Very high	87.4	Confident	88 Å²	88	42.9 Å²	42.9	46%	0.461	22%	0.218	S	C	.	.	H	α-helix	trans	-86.5	-27	-180	-71.9	169.7	0	0	0	113.6	L472 Y476 S482 I483 A484	L472-L486 HydrophobicContact CD1-CB 3.79Å; L472-L486 HydrophobicContact CD2-CB 4.23Å; L472-L486 HydrophobicContact CD2-CD1 3.8Å; Y476-L486 HydrophobicContact CD2-CD1 4.12Å; Y476-L486 HydrophobicContact CE1-CD1 4.31Å; Y476-L486 HydrophobicContact CE2-CD1 3.41Å; Y476-L486 VanDerWaalsContact CE2-CD1 3.41Å; S482-L486 VanDerWaalsContact O-CG 3.29Å; S482-L486 WeakPolarHBondContact O-CG 3.33Å; S482-L486 PolarHBondContact O-N 2.87Å; S482-L486 VanDerWaalsContact O-N 3.1Å; I483-L486 PolarHBondContact O-N 3.32Å; I483-L486 VanDerWaalsContact O-N 3.11Å; A484-L486 PolarHBondContact O-N 2.87Å
487	I	91.3	Very high	87.5	Confident	16 Å²	16	42.8 Å²	42.8	8%	0.082	22%	0.221	C	C	.	.	H	α-helix	trans	-75.4	-39.2	171.7	-66.7	172.5	0	0	0	110.3	W461 L468 F469 L472 I483 A484 T489 K490 V495	W461-I487 HydrophobicContact CH2-CD1 4.47Å; W461-I487 HydrophobicContact CZ3-CD1 4.36Å; L468-I487 HydrophobicContact CD2-CG1 4.22Å; L468-I487 HydrophobicContact CG-CG1 4.36Å; F469-I487 HydrophobicContact CB-CD1 4.01Å; F469-I487 HydrophobicContact CD2-CD1 4.4Å; L472-I487 HydrophobicContact CD1-CD1 4.39Å; L472-I487 HydrophobicContact CD1-CG1 3.7Å; I483-I487 HydrophobicContact CG2-CD1 3.75Å; I483-I487 HydrophobicContact CG2-CG1 4.38Å; I483-I487 WeakPolarHBondContact O-CG1 3.33Å; I483-I487 PolarHBondContact O-N 3.13Å; A484-I487 PolarHBondContact O-N 3.04Å; I487-T489 WeakPolarHBondContact CG2-OG1 3.43Å; I487-T489 PolarHBondContact O-N 3.13Å; I487-K490 HydrophobicContact CG2-CB 4.08Å; I487-K490 HydrophobicContact CG2-CG 3.98Å; I487-V495 HydrophobicContact CD1-CG2 4.14Å
488	G	89.8	Confident	87.6	Confident	65 Å²	65	40.9 Å²	40.9	67%	0.67	21%	0.212	S	C	*	.			trans	74.8	-37.5	175.7	0	0	0	0	0	115.1	A484	A484-G488 PolarHBondContact O-N 3.26Å
489	T	90.4	Very high	87.7	Confident	92 Å²	92	40.5 Å²	40.5	56%	0.564	21%	0.21	S	C	*	.	S	Bend	trans	-84.2	-10.6	179.9	57.5	0	0	0	0	114.5	E465 I487	E465-T489 WeakPolarHBondContact OE1-CB 3.49Å; E465-T489 PolarHBondContact OE1-OG1 3.41Å; I487-T489 WeakPolarHBondContact CG2-OG1 3.43Å; I487-T489 PolarHBondContact O-N 3.13Å
490	K	89.8	Confident	87.6	Confident	24 Å²	24	42.5 Å²	42.5	10%	0.104	23%	0.227	C	C	.	.	S	Bend	trans	-126.8	138.2	-176.2	-61.1	-63.4	-167	-107.8	0	111	V459 Q460 W461 E465 I487 Q494 V495	V459-K490 HydrophobicContact CG1-CD 3.95Å; Q460-K490 WeakPolarHBondContact O-CE 3.3Å; Q460-K490 PolarHBondContact O-NZ 3.33Å; W461-K490 HydrophobicContact CH2-CB 4.36Å; W461-K490 HydrophobicContact CH2-CG 3.91Å; W461-K490 HydrophobicContact CZ2-CB 4.47Å; W461-K490 HydrophobicContact CZ2-CD 4.16Å; W461-K490 HydrophobicContact CZ2-CG 3.97Å; W461-K490 HydrophobicContact CZ3-CG 4.25Å; E465-K490 VanDerWaalsContact CD-NZ 3.3Å; E465-K490 WeakPolarHBondContact OE1-CE 3.18Å; E465-K490 IonicContact OE1-NZ 2.74Å; E465-K490 PolarHBondContact OE1-NZ 2.94Å; E465-K490 IonicContact OE2-NZ 2.72Å; E465-K490 PolarHBondContact OE2-NZ 3.14Å; I487-K490 HydrophobicContact CG2-CB 4.08Å; I487-K490 HydrophobicContact CG2-CG 3.98Å; K490-Q494 HydrophobicContact CB-CB 4.47Å; K490-V495 HydrophobicContact CB-CG2 4.06Å
491	N	89.9	Confident	87.4	Confident	43 Å²	43	50.3 Å²	50.3	23%	0.23	26%	0.261	C	S	.	.			trans	-79.6	169	176	74.8	19.7	0	0	0	111.8	D373 K493 Q494 V495	D373-N491 HydrophobicContact CB-CB 3.96Å; D373-N491 WeakPolarHBondContact CB-ND2 3.46Å; D373-N491 PolarHBondContact OD2-ND2 2.77Å; N491-K493 PolarHBondContact O-N 3.18Å; N491-K493 PolarHBondContact OD1-N 3.32Å; N491-Q494 PolarHBondContact O-N 2.96Å; N491-Q494 WeakPolarHBondContact OD1-CB 2.99Å; N491-Q494 WeakPolarHBondContact OD1-CG 3.49Å; N491-Q494 PolarHBondContact OD1-N 3.28Å; N491-V495 WeakPolarHBondContact O-CG2 3.13Å; N491-V495 PolarHBondContact O-N 2.95Å; N491-V495 VanDerWaalsContact O-N 3.12Å
492	C	88.3	Confident	86.9	Confident	6 Å²	6	52.2 Å²	52.2	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-67.1	-36.4	-172.6	-171	0	0	0	0	113.2	C370 F375 F480 A484 V495 Y496	C370-C492 VanDerWaalsContact SG-CB 3.57Å; F375-C492 VanDerWaalsContact CD1-SG 3.54Å; F480-C492 VanDerWaalsContact C-SG 3.59Å; A484-C492 HydrophobicContact CB-CB 4.09Å; C492-V495 PolarHBondContact O-N 2.81Å; C492-Y496 PolarHBondContact O-N 2.79Å; C492-Y496 VanDerWaalsContact O-N 3.12Å
493	K	85.8	Confident	86.2	Confident	83 Å²	83	55.7 Å²	55.7	36%	0.361	29%	0.29	S	S	.	.	H	α-helix	trans	-56	-52.8	169.8	165.8	168	175.7	-170.3	0	112.5	D373 N491 V495 Y496 E497	D373-K493 WeakPolarHBondContact O-CB 3.48Å; D373-K493 PolarHBondContact O-N 3.14Å; N491-K493 PolarHBondContact O-N 3.18Å; N491-K493 PolarHBondContact OD1-N 3.32Å; K493-V495 VanDerWaalsContact C-N 3.32Å; K493-V495 PolarHBondContact O-N 3.22Å; K493-Y496 WeakPolarHBondContact O-CB 3.45Å; K493-Y496 PolarHBondContact O-N 2.88Å; K493-Y496 VanDerWaalsContact O-N 3.14Å; K493-E497 WeakPolarHBondContact CE-OE1 3.31Å; K493-E497 WeakPolarHBondContact CG-OE1 2.92Å; K493-E497 WeakPolarHBondContact O-CG 3.27Å; K493-E497 PolarHBondContact O-N 3.47Å
494	Q	87.1	Confident	85	Confident	42 Å²	42	56.9 Å²	56.9	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-39.5	179.3	-72.9	163.5	-11	0	0	112.4	V459 K490 N491 E497 F498	V459-Q494 HydrophobicContact CG1-CG 4.27Å; V459-Q494 HydrophobicContact CG2-CG 4.15Å; K490-Q494 HydrophobicContact CB-CB 4.47Å; N491-Q494 PolarHBondContact O-N 2.96Å; N491-Q494 WeakPolarHBondContact OD1-CB 2.99Å; N491-Q494 WeakPolarHBondContact OD1-CG 3.49Å; N491-Q494 PolarHBondContact OD1-N 3.28Å; Q494-E497 PolarHBondContact O-N 2.87Å; Q494-F498 WeakPolarHBondContact O-CB 3.45Å; Q494-F498 PolarHBondContact O-N 3.29Å
495	V	88.2	Confident	83.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-38.8	176.6	169.7	0	0	0	0	111.8	W461 F469 F480 I483 A484 I487 K490 N491 C492 K493 A499	W461-V495 HydrophobicContact CH2-CG2 4.23Å; F469-V495 HydrophobicContact CD2-CG1 4.04Å; F469-V495 HydrophobicContact CE2-CG1 3.86Å; F480-V495 HydrophobicContact CB-CG1 4.07Å; F480-V495 HydrophobicContact CD1-CG1 4Å; F480-V495 HydrophobicContact CG-CG1 4.47Å; I483-V495 HydrophobicContact CB-CG1 4.06Å; I483-V495 HydrophobicContact CG2-CG1 3.66Å; A484-V495 HydrophobicContact CB-CB 4.39Å; A484-V495 HydrophobicContact CB-CG2 3.84Å; I487-V495 HydrophobicContact CD1-CG2 4.14Å; K490-V495 HydrophobicContact CB-CG2 4.06Å; N491-V495 WeakPolarHBondContact O-CG2 3.13Å; N491-V495 PolarHBondContact O-N 2.95Å; N491-V495 VanDerWaalsContact O-N 3.12Å; C492-V495 PolarHBondContact O-N 2.81Å; K493-V495 VanDerWaalsContact C-N 3.32Å; K493-V495 PolarHBondContact O-N 3.22Å; V495-A499 WeakPolarHBondContact O-CB 3.01Å; V495-A499 PolarHBondContact O-N 2.92Å
496	Y	85.8	Confident	81.7	Confident	37 Å²	37	52.8 Å²	52.8	15%	0.145	29%	0.285	C	S	.	.	H	α-helix	trans	-68.3	-42.8	174.7	174.9	-104.1	0	0	0	112.2	F375 F384 F480 C492 K493 F498 A499 A500 I505	F375-Y496 HydrophobicContact CB-CD1 4.36Å; F375-Y496 HydrophobicContact CB-CD2 4.38Å; F375-Y496 HydrophobicContact CB-CG 3.88Å; F375-Y496 AromaticContact CD2-CD2 3.82Å; F375-Y496 HydrophobicContact CD2-CD2 3.82Å; F375-Y496 HydrophobicContact CD2-CE2 4.21Å; F375-Y496 HydrophobicContact CD2-CG 4.18Å; F375-Y496 HydrophobicContact CG-CD2 4.42Å; F375-Y496 HydrophobicContact CG-CG 4.4Å; F384-Y496 HydrophobicContact CD1-CE2 4.41Å; F480-Y496 AromaticContact CD2-CD2 3.79Å; F480-Y496 HydrophobicContact CD2-CD2 3.79Å; F480-Y496 AromaticContact CE2-CD2 3.6Å; F480-Y496 HydrophobicContact CE2-CD2 3.6Å; F480-Y496 HydrophobicContact CE2-CE2 4.19Å; F480-Y496 HydrophobicContact CZ-CD2 4.29Å; C492-Y496 PolarHBondContact O-N 2.79Å; C492-Y496 VanDerWaalsContact O-N 3.12Å; K493-Y496 WeakPolarHBondContact O-CB 3.45Å; K493-Y496 PolarHBondContact O-N 2.88Å; K493-Y496 VanDerWaalsContact O-N 3.14Å; Y496-F498 PolarHBondContact O-N 2.94Å; Y496-A499 WeakPolarHBondContact O-CB 3.32Å; Y496-A499 PolarHBondContact O-N 3.36Å; Y496-A500 PolarHBondContact O-N 3.19Å; Y496-I505 HydrophobicContact CD2-CD1 4.48Å; Y496-I505 HydrophobicContact CE2-CD1 3.97Å
497	E	85.8	Confident	79.8	Confident	79 Å²	79	57.8 Å²	57.8	37%	0.369	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-40.3	177	-72.4	164.1	-177.5	0	0	111.6	Q378 K493 Q494 A500 K501	Q378-E497 PolarHBondContact NE2-OE1 2.84Å; K493-E497 WeakPolarHBondContact CE-OE1 3.31Å; K493-E497 WeakPolarHBondContact CG-OE1 2.92Å; K493-E497 WeakPolarHBondContact O-CG 3.27Å; K493-E497 PolarHBondContact O-N 3.47Å; Q494-E497 PolarHBondContact O-N 2.87Å; E497-A500 PolarHBondContact O-N 3.2Å; E497-K501 WeakPolarHBondContact O-CB 3.45Å; E497-K501 PolarHBondContact O-N 3.43Å
498	F	85.8	Confident	77.8	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.035	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-41.3	173.1	-169	-88.3	0	0	0	112.3	W461 E466 F469 Q494 Y496 A500 K501 E502	W461-F498 HydrophobicContact CB-CE2 4.27Å; W461-F498 AromaticContact CD1-CD2 3.81Å; W461-F498 AromaticContact CD2-CD2 3.51Å; W461-F498 HydrophobicContact CD2-CD2 3.51Å; W461-F498 AromaticContact CD2-CE2 3.77Å; W461-F498 HydrophobicContact CD2-CE2 3.77Å; W461-F498 HydrophobicContact CD2-CG 4.07Å; W461-F498 AromaticContact CE2-CD2 3.42Å; W461-F498 VanDerWaalsContact CE2-CD2 3.42Å; W461-F498 AromaticContact CE2-CG 3.74Å; W461-F498 HydrophobicContact CE3-CD2 4.05Å; W461-F498 HydrophobicContact CE3-CE2 4.11Å; W461-F498 HydrophobicContact CE3-CG 4.29Å; W461-F498 HydrophobicContact CE3-CZ 4.42Å; W461-F498 AromaticContact CG-CD2 3.8Å; W461-F498 HydrophobicContact CG-CD2 3.8Å; W461-F498 AromaticContact CG-CE2 3.83Å; W461-F498 HydrophobicContact CG-CE2 3.83Å; W461-F498 HydrophobicContact CH2-CB 3.92Å; W461-F498 HydrophobicContact CH2-CD1 4.31Å; W461-F498 HydrophobicContact CH2-CD2 4.39Å; W461-F498 AromaticContact CH2-CG 3.96Å; W461-F498 HydrophobicContact CH2-CG 3.96Å; W461-F498 HydrophobicContact CZ2-CB 3.44Å; W461-F498 VanDerWaalsContact CZ2-CB 3.44Å; W461-F498 HydrophobicContact CZ2-CD1 4.5Å; W461-F498 AromaticContact CZ2-CD2 3.91Å; W461-F498 HydrophobicContact CZ2-CD2 3.91Å; W461-F498 AromaticContact CZ2-CG 3.7Å; W461-F498 HydrophobicContact CZ2-CG 3.7Å; W461-F498 HydrophobicContact CZ3-CD1 4.35Å; W461-F498 HydrophobicContact CZ3-CD2 4.46Å; W461-F498 HydrophobicContact CZ3-CG 4.25Å; W461-F498 AromaticContact NE1-CD2 3.6Å; E466-F498 HydrophobicContact CB-CZ 4.02Å; E466-F498 HydrophobicContact CG-CE2 3.91Å; E466-F498 HydrophobicContact CG-CZ 3.63Å; F469-F498 AromaticContact CD1-CD1 3.42Å; F469-F498 HydrophobicContact CD1-CD1 3.42Å; F469-F498 VanDerWaalsContact CD1-CD1 3.42Å; F469-F498 AromaticContact CD1-CE1 3.4Å; F469-F498 HydrophobicContact CD1-CE1 3.4Å; F469-F498 HydrophobicContact CD2-CD1 4.37Å; F469-F498 AromaticContact CE1-CD1 3.5Å; F469-F498 HydrophobicContact CE1-CD1 3.5Å; F469-F498 AromaticContact CE1-CE1 3.75Å; F469-F498 HydrophobicContact CE1-CE1 3.75Å; F469-F498 HydrophobicContact CE2-CD1 4.44Å; F469-F498 AromaticContact CG-CD1 3.89Å; F469-F498 HydrophobicContact CG-CD1 3.89Å; F469-F498 HydrophobicContact CG-CE1 4.1Å; F469-F498 HydrophobicContact CZ-CD1 4.06Å; Q494-F498 WeakPolarHBondContact O-CB 3.45Å; Q494-F498 PolarHBondContact O-N 3.29Å; Y496-F498 PolarHBondContact O-N 2.94Å; F498-A500 VanDerWaalsContact C-N 3.28Å; F498-A500 PolarHBondContact O-N 2.88Å; F498-K501 WeakPolarHBondContact O-CB 3.48Å; F498-K501 PolarHBondContact O-N 3.24Å; F498-E502 HydrophobicContact CD1-CG 4.18Å; F498-E502 HydrophobicContact CE1-CG 3.67Å; F498-E502 HydrophobicContact CZ-CG 4.03Å; F498-E502 PolarHBondContact O-N 2.87Å
499	A	84.1	Confident	75.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-37	174.5	0	0	0	0	0	112.8	F469 F480 V495 Y496 V503 L504 I505	F469-A499 HydrophobicContact CE2-CB 4.17Å; F469-A499 HydrophobicContact CZ-CB 3.65Å; F480-A499 HydrophobicContact CD1-CB 4.36Å; F480-A499 HydrophobicContact CE1-CB 3.58Å; F480-A499 HydrophobicContact CZ-CB 3.99Å; V495-A499 WeakPolarHBondContact O-CB 3.01Å; V495-A499 PolarHBondContact O-N 2.92Å; Y496-A499 WeakPolarHBondContact O-CB 3.32Å; Y496-A499 PolarHBondContact O-N 3.36Å; A499-V503 PolarHBondContact O-N 2.93Å; A499-L504 PolarHBondContact O-N 3.45Å; A499-I505 HydrophobicContact CB-CG1 4.09Å
500	A	81.1	Confident	72.9	Confident	49 Å²	49	62.3 Å²	62.3	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-44.6	174.2	0	0	0	0	0	111.5	Y496 E497 F498 E502 V503 I505	Y496-A500 PolarHBondContact O-N 3.19Å; E497-A500 PolarHBondContact O-N 3.2Å; F498-A500 VanDerWaalsContact C-N 3.28Å; F498-A500 PolarHBondContact O-N 2.88Å; A500-E502 PolarHBondContact O-N 2.96Å; A500-V503 PolarHBondContact O-N 3.02Å; A500-V503 VanDerWaalsContact O-N 3.08Å; A500-I505 HydrophobicContact CB-CD1 3.72Å
501	K	81.5	Confident	70.4	Confident	164 Å²	164	66.5 Å²	66.5	71%	0.713	34%	0.336	S	S	*	.	H	α-helix	trans	-59	-40.4	176.7	-171	-174.8	178.3	-171.2	0	112.9	E497 F498 V503	E497-K501 WeakPolarHBondContact O-CB 3.45Å; E497-K501 PolarHBondContact O-N 3.43Å; F498-K501 WeakPolarHBondContact O-CB 3.48Å; F498-K501 PolarHBondContact O-N 3.24Å; K501-V503 VanDerWaalsContact C-N 3.3Å; K501-V503 PolarHBondContact O-N 2.95Å
502	E	74.9	Confident	67.7	Low	48 Å²	48	72.6 Å²	72.6	22%	0.224	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0.8	176.6	-64.1	-152.5	132.4	0	0	114.4	R470 F498 A500 L504	R470-E502 IonicContact CZ-OE1 3.59Å; R470-E502 IonicContact NE-OE1 2.65Å; R470-E502 PolarHBondContact NE-OE1 3.27Å; R470-E502 IonicContact NE-OE2 2.67Å; R470-E502 PolarHBondContact NE-OE2 2.92Å; R470-E502 IonicContact NH2-OE1 2.81Å; R470-E502 PolarHBondContact NH2-OE1 3.08Å; F498-E502 HydrophobicContact CD1-CG 4.18Å; F498-E502 HydrophobicContact CE1-CG 3.67Å; F498-E502 HydrophobicContact CZ-CG 4.03Å; F498-E502 PolarHBondContact O-N 2.87Å; A500-E502 PolarHBondContact O-N 2.96Å; E502-L504 HydrophobicContact CB-CD1 4.08Å; E502-L504 HydrophobicContact CB-CG 3.83Å; E502-L504 PolarHBondContact O-N 3.05Å; E502-L504 VanDerWaalsContact OE2-CD1 3.32Å; E502-L504 WeakPolarHBondContact OE2-CD1 3.48Å
503	V	70.7	Confident	65	Low	95 Å²	95	75 Å²	75	58%	0.576	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	14.9	-178	-158.5	0	0	0	0	113.3	A499 A500 K501 I505	A499-V503 PolarHBondContact O-N 2.93Å; A500-V503 PolarHBondContact O-N 3.02Å; A500-V503 VanDerWaalsContact O-N 3.08Å; K501-V503 VanDerWaalsContact C-N 3.3Å; K501-V503 PolarHBondContact O-N 2.95Å; V503-I505 PolarHBondContact O-N 3.26Å
504	L	64	Low	62.3	Low	26 Å²	26	74.9 Å²	74.9	14%	0.136	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-71.9	-17.9	-176.9	-69.2	-177.1	0	0	0	113.4	F469 A499 E502 H506 R507	F469-L504 HydrophobicContact CE1-CD1 3.95Å; A499-L504 PolarHBondContact O-N 3.45Å; E502-L504 HydrophobicContact CB-CD1 4.08Å; E502-L504 HydrophobicContact CB-CG 3.83Å; E502-L504 PolarHBondContact O-N 3.05Å; E502-L504 VanDerWaalsContact OE2-CD1 3.32Å; E502-L504 WeakPolarHBondContact OE2-CD1 3.48Å; L504-H506 PolarHBondContact O-N 3.33Å; L504-R507 PolarHBondContact O-N 3.26Å
505	I	58.8	Low	59.7	Low	18 Å²	18	78.7 Å²	78.7	9%	0.092	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-49.9	-32.1	176	-66.4	-172.9	0	0	0	112.9	F384 Y496 A499 A500 V503	F384-I505 HydrophobicContact CD2-CG2 4.09Å; F384-I505 HydrophobicContact CE2-CG2 3.33Å; F384-I505 HydrophobicContact CZ-CG2 3.94Å; Y496-I505 HydrophobicContact CD2-CD1 4.48Å; Y496-I505 HydrophobicContact CE2-CD1 3.97Å; A499-I505 HydrophobicContact CB-CG1 4.09Å; A500-I505 HydrophobicContact CB-CD1 3.72Å; V503-I505 PolarHBondContact O-N 3.26Å
506	H	51.7	Low	56.7	Low	126 Å²	126	82.2 Å²	82.2	58%	0.583	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-97.7	-11.9	-177.4	-70.8	-87.5	0	0	0	114.7	L504 V508	L504-H506 PolarHBondContact O-N 3.33Å; H506-V508 VanDerWaalsContact C-N 3.31Å; H506-V508 PolarHBondContact O-N 3.38Å; H506-V508 VanDerWaalsContact O-N 3.08Å
507	R	50.9	Low	54	Low	193 Å²	193	86.4 Å²	86.4	73%	0.728	49%	0.494	S	S	*	.			trans	-87.2	53.3	-174.4	-67.4	-168	178.7	-178.4	-1.2	113.7	L504	L504-R507 PolarHBondContact O-N 3.26Å
508	V	48.9	Very low	51.3	Low	45 Å²	45	88.7 Å²	88.7	27%	0.273	50%	0.504	S	S	.	.			trans	-107	108.8	172.1	-176.5	0	0	0	0	109.8	H506 L510	H506-V508 VanDerWaalsContact C-N 3.31Å; H506-V508 PolarHBondContact O-N 3.38Å; H506-V508 VanDerWaalsContact O-N 3.08Å; V508-L510 PolarHBondContact O-N 3.14Å
509	P	42.1	Very low	48.9	Very low	86 Å²	86	98.6 Å²	98.6	56%	0.558	55%	0.548	S	S	*	.			trans	-64.2	122.3	-179.8	-23.4	33.9	0	0	0	112.2	K361	K361-P509 PolarHBondContact NZ-O 3.04Å
510	L	36.9	Very low	46.6	Very low	136 Å²	136	106.3 Å²	106.3	71%	0.712	58%	0.581	S	S	*	*			trans	-73.9	121.1	167.4	-74.3	158.2	0	0	0	108.7	V508	V508-L510 PolarHBondContact O-N 3.14Å
511	V	36.6	Very low	44.5	Very low	113 Å²	113	114.1 Å²	114.1	69%	0.685	61%	0.606	S	S	*	*			trans	-133.6	119.1	165.2	-179.7	0	0	0	0	106.4	G513	V511-G513 PolarHBondContact O-N 3.12Å
512	D	33.3	Very low	42.4	Very low	171 Å²	171	112 Å²	112	91%	0.914	59%	0.593	S	S	*	*			trans	-82.8	107.3	-177.9	-145.2	-6.3	0	0	0	108.5
513	G	32.3	Very low	40.4	Very low	56 Å²	56	118.7 Å²	118.7	58%	0.577	62%	0.622	S	S	*	*			trans	-149.2	54	-163.8	0	0	0	0	0	112.7	V511 I515	V511-G513 PolarHBondContact O-N 3.12Å; G513-I515 PolarHBondContact O-N 3.03Å
514	G	29.1	Very low	39.2	Very low	81 Å²	81	120.3 Å²	120.3	84%	0.835	62%	0.623	S	S	*	*			trans	-70.4	90.5	-174.5	0	0	0	0	0	114.3
515	I	30.6	Very low	38.1	Very low	122 Å²	122	130.3 Å²	130.3	63%	0.626	66%	0.659	S	S	*	*			trans	-91.4	105.9	170.9	-56.5	179.6	0	0	0	110.4	G513	G513-I515 PolarHBondContact O-N 3.03Å
516	S	26.4	Very low	37.1	Very low	73 Å²	73	135.3 Å²	135.3	51%	0.51	69%	0.685	S	S	.	*			trans	-81	133.7	168.4	179.8	0	0	0	0	111	Q518	S516-Q518 VanDerWaalsContact C-N 3.3Å; S516-Q518 PolarHBondContact O-N 3.4Å
517	P	29.1	Very low	36.6	Very low	125 Å²	125	133 Å²	133	81%	0.812	67%	0.671	S	S	*	*			trans	-74.3	79.7	172.6	30.8	-34.5	0	0	0	111.1	K519	P517-K519 PolarHBondContact O-N 3.47Å
518	Q	29.6	Very low	36	Very low	128 Å²	128	126.6 Å²	126.6	60%	0.598	66%	0.659	S	S	*	*			trans	-76.9	103.5	171.1	-71	-156.6	8.7	0	0	111.2	S516 K520	S516-Q518 VanDerWaalsContact C-N 3.3Å; S516-Q518 PolarHBondContact O-N 3.4Å; Q518-K520 PolarHBondContact O-N 2.88Å
519	K	34.7	Very low	35.4	Very low	216 Å²	216	131.9 Å²	131.9	94%	0.939	68%	0.679	S	S	*	*			trans	-64.2	94.1	160.4	-73.3	-179	177.2	177.4	0	109.4	P517	P517-K519 PolarHBondContact O-N 3.47Å
520	K	35.8	Very low	35.5	Very low	162 Å²	162	132.6 Å²	132.6	70%	0.704	68%	0.677	S	S	*	*			trans	-125.3	141.4	169.8	-81.9	179.6	174.9	162.9	0	111.8	Q518 R522	Q518-K520 PolarHBondContact O-N 2.88Å; K520-R522 PolarHBondContact O-N 3.21Å; K520-R522 VanDerWaalsContact O-N 3.1Å
521	K	36.1	Very low	35.9	Very low	212 Å²	212	129.8 Å²	129.8	92%	0.922	66%	0.66	S	S	*	*			trans	-67.8	101.1	178.8	-72.6	175.7	174.1	175.5	0	110.2	K523	K521-K523 PolarHBondContact O-N 3.33Å
522	R	39	Very low	36.1	Very low	120 Å²	120	130.8 Å²	130.8	45%	0.453	66%	0.661	S	S	.	*			trans	-65.8	125.6	169.8	-137	171.8	179.2	177.5	1.7	108.3	K520 H524 W527 Q576	K520-R522 PolarHBondContact O-N 3.21Å; K520-R522 VanDerWaalsContact O-N 3.1Å; R522-H524 PolarHBondContact O-N 3.02Å; R522-H524 VanDerWaalsContact O-N 3.16Å; R522-W527 HydrophobicContact CG-CH2 4.39Å; R522-Q576 PolarHBondContact NH2-O 2.93Å
523	K	32.8	Very low	36.1	Very low	189 Å²	189	131.9 Å²	131.9	82%	0.822	66%	0.658	S	S	*	*			trans	-70.7	107.5	-175.1	-77.1	-177.2	176.8	177.6	0	110.9	K521 R525	K521-K523 PolarHBondContact O-N 3.33Å; K523-R525 PolarHBondContact O-N 3.07Å
524	H	44.8	Very low	36.8	Very low	129 Å²	129	134.7 Å²	134.7	60%	0.597	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	12.5	-176.3	-161.5	-96.2	0	0	0	115.9	R522	R522-H524 PolarHBondContact O-N 3.02Å; R522-H524 VanDerWaalsContact O-N 3.16Å
525	R	40.3	Very low	37.2	Very low	236 Å²	236	137 Å²	137	89%	0.891	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-3.4	-171	-91.2	-172.2	175.6	-177.8	-0	115.8	K523	K523-R525 PolarHBondContact O-N 3.07Å
526	L	37.3	Very low	37.6	Very low	122 Å²	122	139.2 Å²	139.2	64%	0.639	66%	0.66	S	S	*	*	S	Bend	trans	-95.4	-30.1	-178.3	-149.7	72.7	0	0	0	114	A528 K529	L526-A528 PolarHBondContact O-N 3.12Å; L526-K529 PolarHBondContact O-N 3.02Å; L526-K529 VanDerWaalsContact O-N 3.16Å
527	W	42.8	Very low	38.1	Very low	77 Å²	77	140.8 Å²	140.8	29%	0.292	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.9	-30.3	-172.1	-66.8	-53.7	0	0	0	114.8	R522 K529 I530 P582	R522-W527 HydrophobicContact CG-CH2 4.39Å; W527-K529 PolarHBondContact O-N 3.37Å; W527-I530 PolarHBondContact O-N 3.14Å; W527-I530 VanDerWaalsContact O-N 3.09Å; W527-P582 HydrophobicContact CE3-CG 4.44Å; W527-P582 HydrophobicContact CH2-CB 4.05Å; W527-P582 HydrophobicContact CH2-CG 3.94Å; W527-P582 HydrophobicContact CZ2-CB 4.47Å; W527-P582 HydrophobicContact CZ2-CG 4.23Å; W527-P582 HydrophobicContact CZ3-CG 4.06Å
528	A	38.3	Very low	38.8	Very low	59 Å²	59	138 Å²	138	49%	0.488	66%	0.655	S	S	.	*	H	α-helix	trans	-61.2	-28.1	174.4	0	0	0	0	0	113	L526 L532	L526-A528 PolarHBondContact O-N 3.12Å; A528-L532 WeakPolarHBondContact O-CD1 3.45Å; A528-L532 WeakPolarHBondContact O-CG 3.29Å; A528-L532 PolarHBondContact O-N 3.02Å
529	K	35.2	Very low	40.1	Very low	157 Å²	157	140.2 Å²	140.2	68%	0.683	67%	0.671	S	S	*	*	H	α-helix	trans	-79.2	-14.9	177.1	-78.8	-171	169.9	-171.7	0	114	L526 W527	L526-K529 PolarHBondContact O-N 3.02Å; L526-K529 VanDerWaalsContact O-N 3.16Å; W527-K529 PolarHBondContact O-N 3.37Å
530	I	45.3	Very low	42.1	Very low	101 Å²	101	134.6 Å²	134.6	52%	0.518	65%	0.648	S	S	.	*	H	α-helix	trans	-83.6	-33.6	179.7	-63.2	177.5	0	0	0	110.7	W527	W527-I530 PolarHBondContact O-N 3.14Å; W527-I530 VanDerWaalsContact O-N 3.09Å
531	Q	45.4	Very low	44.5	Very low	76 Å²	76	130.2 Å²	130.2	36%	0.355	64%	0.635	S	S	.	*	H	α-helix	trans	-74.4	-44	168.6	-83.6	-172.3	-60	0	0	112.6	K533 K534	Q531-K533 PolarHBondContact O-N 3.35Å; Q531-K534 WeakPolarHBondContact O-CA 3.43Å; Q531-K534 WeakPolarHBondContact O-CB 3.49Å; Q531-K534 PolarHBondContact O-N 2.99Å
532	L	39.3	Very low	47.1	Very low	135 Å²	135	123.8 Å²	123.8	71%	0.707	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	0.1	-177	-71	169.1	0	0	0	115.3	A528	A528-L532 WeakPolarHBondContact O-CD1 3.45Å; A528-L532 WeakPolarHBondContact O-CG 3.29Å; A528-L532 PolarHBondContact O-N 3.02Å
533	K	34.7	Very low	49.7	Very low	194 Å²	194	119.4 Å²	119.4	84%	0.843	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	3.3	167.5	-95.7	-163	169.7	-161.3	0	113	Q531	Q531-K533 PolarHBondContact O-N 3.35Å
534	K	45.7	Very low	52.6	Low	114 Å²	114	110.4 Å²	110.4	50%	0.496	55%	0.551	S	S	.	*	S	Bend	trans	-110.6	16.2	-174	-152.5	-165.3	173.5	-166.2	0	112.5	Q531 Q564	Q531-K534 WeakPolarHBondContact O-CA 3.43Å; Q531-K534 WeakPolarHBondContact O-CB 3.49Å; Q531-K534 PolarHBondContact O-N 2.99Å; K534-Q564 PolarHBondContact NZ-O 3.41Å
535	D	39.1	Very low	54.9	Low	131 Å²	131	108.8 Å²	108.8	70%	0.701	54%	0.544	S	S	*	.	S	Bend	trans	-92.5	139.6	165.6	-65.1	-44.4	0	0	0	108.7
536	N	38.1	Very low	57.5	Low	167 Å²	167	99.7 Å²	99.7	89%	0.893	52%	0.516	S	S	*	.	S	Bend	trans	89.7	30	168.2	-146	43.8	0	0	0	120.3
537	S	36	Very low	60.2	Low	106 Å²	106	94.1 Å²	94.1	74%	0.741	49%	0.487	S	S	*	.	S	Bend	trans	-152.2	115.2	153.5	-152.2	0	0	0	0	111.9
538	S	44.3	Very low	62.6	Low	68 Å²	68	92.6 Å²	92.6	48%	0.476	48%	0.484	S	S	.	.			trans	53.6	120.2	-171.5	73.7	0	0	0	0	118.1	Q540	S538-Q540 PolarHBondContact O-N 2.84Å; S538-Q540 PolarHBondContact OG-OE1 3.25Å
539	N	57.9	Low	65	Low	173 Å²	173	91.3 Å²	91.3	93%	0.925	47%	0.468	S	S	*	.			trans	-74	24.6	171.7	-81.4	-25.7	0	0	0	113.2	V541	N539-V541 PolarHBondContact O-N 3.47Å
540	Q	75.3	Confident	67.4	Low	98 Å²	98	87.6 Å²	87.6	46%	0.458	46%	0.46	S	S	.	.			trans	-84.6	113.5	-168.9	-83.3	173.8	-18.9	0	0	110.9	S538 Y542 N695	S538-Q540 PolarHBondContact O-N 2.84Å; S538-Q540 PolarHBondContact OG-OE1 3.25Å; Q540-Y542 HydrophobicContact CB-CE2 3.91Å; Q540-N695 WeakPolarHBondContact CA-ND2 3.2Å; Q540-N695 WeakPolarHBondContact CB-ND2 3.48Å
541	V	86.1	Confident	69.1	Low	71 Å²	71	90.9 Å²	90.9	43%	0.43	48%	0.479	S	S	.	.			trans	-106.9	120.6	174.4	-179	0	0	0	0	108	N539 N694 N695	N539-V541 PolarHBondContact O-N 3.47Å; V541-N694 HydrophobicContact CG1-CB 4.31Å; V541-N694 WeakPolarHBondContact O-CB 3.4Å; V541-N695 PolarHBondContact N-ND2 2.88Å; V541-N695 WeakPolarHBondContact O-CB 3.34Å; V541-N695 PolarHBondContact O-N 2.9Å; V541-N695 PolarHBondContact O-ND2 3.27Å
542	Y	91.6	Very high	71.1	Confident	77 Å²	77	93.3 Å²	93.3	30%	0.302	49%	0.49	S	S	.	.			trans	-104.3	149.9	178.8	-67.8	-80.8	0	0	0	111.1	Q540 T563 N565 N695 D696 H730	Q540-Y542 HydrophobicContact CB-CE2 3.91Å; Y542-T563 HydrophobicContact CG-CG2 4.4Å; Y542-N565 PolarHBondContact O-ND2 3.42Å; Y542-N695 HydrophobicContact CD1-CB 3.99Å; Y542-N695 HydrophobicContact CE1-CB 3.98Å; Y542-N695 VanDerWaalsContact CE1-ND2 3.33Å; Y542-N695 WeakPolarHBondContact CE1-ND2 3.47Å; Y542-N695 WeakPolarHBondContact CE2-ND2 3.45Å; Y542-N695 VanDerWaalsContact CZ-ND2 3.27Å; Y542-D696 WeakPolarHBondContact CD1-OD1 3.18Å; Y542-H730 PolarHBondContact O-CE1 2.84Å
543	N	93.3	Very high	73.6	Confident	27 Å²	27	90.9 Å²	90.9	14%	0.144	48%	0.482	C	S	.	.			trans	-65.2	146.7	-179.2	-168.2	34.5	0	0	0	112.3	D696 F697	N543-D696 HydrophobicContact CB-CB 4.29Å; N543-D696 WeakPolarHBondContact CB-OD2 3.38Å; N543-D696 PolarHBondContact N-OD2 2.91Å; N543-F697 HydrophobicContact CB-CD2 4.02Å; N543-F697 HydrophobicContact CB-CE2 4Å; N543-F697 WeakPolarHBondContact ND2-CE2 3.36Å
544	Y	94.4	Very high	76.4	Confident	1 Å²	1	82.8 Å²	82.8	0%	0.004	45%	0.45	C	S	.	.			trans	-82.3	123.9	-178.8	165.3	-94.8	0	0	0	112.2	R338 P546 E568 F570 C571 G728	R338-Y544 PolarHBondContact NH1-O 3.3Å; Y544-P546 HydrophobicContact CE1-CG 4.02Å; Y544-P546 WeakPolarHBondContact OH-CA 3.33Å; Y544-E568 HydrophobicContact CD1-CG 4.21Å; Y544-E568 HydrophobicContact CD2-CG 3.96Å; Y544-E568 HydrophobicContact CE1-CB 4.07Å; Y544-E568 HydrophobicContact CE1-CG 3.86Å; Y544-E568 HydrophobicContact CE2-CB 4.04Å; Y544-E568 HydrophobicContact CE2-CG 3.6Å; Y544-E568 HydrophobicContact CG-CG 4.26Å; Y544-E568 WeakPolarHBondContact OH-CB 3.09Å; Y544-F570 AromaticContact CE1-CD2 3.94Å; Y544-F570 HydrophobicContact CE1-CD2 3.94Å; Y544-C571 PolarHBondContact OH-SG 3.06Å; Y544-G728 WeakPolarHBondContact CB-O 3.18Å; Y544-G728 WeakPolarHBondContact CD1-O 3.47Å
545	Q	93.3	Very high	78.6	Confident	94 Å²	94	80.6 Å²	80.6	44%	0.439	44%	0.443	S	S	.	.			trans	-118.9	138.7	168.6	-63.2	-175.8	-3.2	0	0	110.8	C547	Q545-C547 PolarHBondContact O-N 3.36Å
546	P	94.6	Very high	81.1	Confident	46 Å²	46	79.3 Å²	79.3	30%	0.299	44%	0.444	S	S	.	.			trans	-68	121.9	176.2	-17.2	30.9	0	0	0	112.3	Y544 F570	Y544-P546 HydrophobicContact CE1-CG 4.02Å; Y544-P546 WeakPolarHBondContact OH-CA 3.33Å; P546-F570 HydrophobicContact CB-CB 4.06Å; P546-F570 HydrophobicContact CG-CB 3.82Å
547	C	93.2	Very high	83.7	Confident	4 Å²	4	75 Å²	75	3%	0.027	43%	0.428	C	S	.	.			trans	-73.3	139.8	173.7	70.5	0	0	0	0	112.2	Q545 H549 C558 C571 Q572	Q545-C547 PolarHBondContact O-N 3.36Å; C547-H549 PolarHBondContact SG-NE2 3.41Å; C547-C558 VanDerWaalsContact SG-SG 3.68Å; C547-C571 VanDerWaalsContact SG-SG 3.7Å; C547-Q572 PolarHBondContact O-N 3.28Å
548	D	93.1	Very high	86.4	Confident	45 Å²	45	70 Å²	70	24%	0.241	39%	0.393	C	S	.	.			trans	-137.3	105	171.9	-171.2	6.8	0	0	0	109	T352 N354 Q572	T352-D548 WeakPolarHBondContact CB-OD2 3.2Å; T352-D548 HydrophobicContact CG2-CB 3.97Å; T352-D548 PolarHBondContact OG1-OD2 3.46Å; N354-D548 WeakPolarHBondContact CB-OD2 3.17Å; N354-D548 PolarHBondContact ND2-OD1 3.43Å; N354-D548 PolarHBondContact ND2-OD2 2.84Å; D548-Q572 HydrophobicContact CB-CB 4.08Å; D548-Q572 HydrophobicContact CB-CG 4.28Å; D548-Q572 WeakPolarHBondContact OD1-CB 3.49Å
549	H	89.9	Confident	88.7	Confident	33 Å²	33	69.9 Å²	69.9	15%	0.153	39%	0.39	C	S	.	.			trans	-139.4	92.9	177.3	44.5	79.6	0	0	0	106.5	C547 H552 P553 C554 C558	C547-H549 PolarHBondContact SG-NE2 3.41Å; H549-H552 PolarHBondContact CE1-O 2.85Å; H549-H552 VanDerWaalsContact CE1-O 3.3Å; H549-H552 PolarHBondContact ND1-O 3.47Å; H549-P553 PolarHBondContact CE1-O 3.38Å; H549-C554 PolarHBondContact CE1-SG 3.3Å; H549-C554 PolarHBondContact NE2-SG 3.03Å; H549-C558 PolarHBondContact NE2-SG 3.35Å
550	P	85.6	Confident	90.4	Very high	79 Å²	79	61.7 Å²	61.7	51%	0.513	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	146.2	-179.9	24.5	-33	0	0	0	110.3	H552	P550-H552 PolarHBondContact O-CD2 3.24Å; P550-H552 VanDerWaalsContact O-CD2 3.26Å; P550-H552 PolarHBondContact O-N 3.12Å
551	D	81.1	Confident	91.3	Very high	169 Å²	169	59.4 Å²	59.4	90%	0.904	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	-2.1	175.1	-49.2	-44.6	0	0	0	117.3
552	H	86.4	Confident	91.5	Very high	128 Å²	128	62 Å²	62	59%	0.593	35%	0.348	S	S	*	.			trans	-108.3	142.3	173.8	-65.7	-77.8	0	0	0	112.8	H549 P550	H549-H552 PolarHBondContact CE1-O 2.85Å; H549-H552 VanDerWaalsContact CE1-O 3.3Å; H549-H552 PolarHBondContact ND1-O 3.47Å; P550-H552 PolarHBondContact O-CD2 3.24Å; P550-H552 VanDerWaalsContact O-CD2 3.26Å; P550-H552 PolarHBondContact O-N 3.12Å
553	P	92.4	Very high	91.4	Very high	83 Å²	83	60.4 Å²	60.4	54%	0.539	35%	0.346	S	S	.	.			trans	-74	166.3	174.5	33.1	-35.9	0	0	0	111.9	H549 D555	H549-P553 PolarHBondContact CE1-O 3.38Å; P553-D555 VanDerWaalsContact C-N 3.33Å; P553-D555 PolarHBondContact O-N 2.71Å
554	C	93.8	Very high	91.3	Very high	25 Å²	25	63.5 Å²	63.5	17%	0.169	36%	0.36	C	S	.	.	S	Bend	trans	-78.9	83.6	170.2	-61.4	0	0	0	0	110.5	H549 C558 V561 C567 C573 N579	H549-C554 PolarHBondContact CE1-SG 3.3Å; H549-C554 PolarHBondContact NE2-SG 3.03Å; C554-C558 HydrophobicContact CB-CB 4.02Å; C554-C558 VanDerWaalsContact SG-SG 3.62Å; C554-V561 HydrophobicContact CB-CG2 4.39Å; C554-C567 VanDerWaalsContact SG-SG 3.67Å; C554-C573 WeakPolarHBondContact SG-CB 3.41Å; C554-C573 PolarHBondContact SG-SG 3.46Å; C554-N579 HydrophobicContact CB-CB 4.49Å
555	D	91.8	Very high	91.3	Very high	68 Å²	68	64.4 Å²	64.4	36%	0.364	37%	0.365	S	S	.	.	S	Bend	trans	-99.9	-159.8	172	63.7	31.4	0	0	0	111.7	P553 S557 C558 V561	P553-D555 VanDerWaalsContact C-N 3.33Å; P553-D555 PolarHBondContact O-N 2.71Å; D555-S557 PolarHBondContact O-N 2.83Å; D555-S557 WeakPolarHBondContact OD1-CB 3.34Å; D555-S557 PolarHBondContact OD1-N 2.6Å; D555-S557 PolarHBondContact OD1-OG 2.75Å; D555-C558 WeakPolarHBondContact O-CB 3.21Å; D555-C558 PolarHBondContact O-N 3.25Å; D555-V561 VanDerWaalsContact O-CB 3.27Å; D555-V561 WeakPolarHBondContact O-CB 3.18Å; D555-V561 WeakPolarHBondContact O-CG2 3.43Å
556	S	91	Very high	91.3	Very high	103 Å²	103	63.1 Å²	63.1	72%	0.72	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.4	179.4	47.9	0	0	0	0	115.2	M562	S556-M562 WeakPolarHBondContact O-CG 3.3Å
557	S	92.2	Very high	91.4	Very high	78 Å²	78	61 Å²	61	55%	0.545	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.1	173.6	70.1	0	0	0	0	113.4	D555 P559	D555-S557 PolarHBondContact O-N 2.83Å; D555-S557 WeakPolarHBondContact OD1-CB 3.34Å; D555-S557 PolarHBondContact OD1-N 2.6Å; D555-S557 PolarHBondContact OD1-OG 2.75Å; S557-P559 WeakPolarHBondContact O-CD 3.34Å
558	C	93.6	Very high	91.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-71.7	127.3	-178.5	-179.4	0	0	0	0	111	C547 H549 C554 D555 C560 V561 M562	C547-C558 VanDerWaalsContact SG-SG 3.68Å; H549-C558 PolarHBondContact NE2-SG 3.35Å; C554-C558 HydrophobicContact CB-CB 4.02Å; C554-C558 VanDerWaalsContact SG-SG 3.62Å; D555-C558 WeakPolarHBondContact O-CB 3.21Å; D555-C558 PolarHBondContact O-N 3.25Å; C558-C560 PolarHBondContact O-N 2.82Å; C558-C560 VanDerWaalsContact O-N 3.09Å; C558-V561 HydrophobicContact CB-CB 4.11Å; C558-V561 HydrophobicContact CB-CG2 3.87Å; C558-V561 WeakPolarHBondContact O-CA 3.4Å; C558-V561 PolarHBondContact O-N 3.38Å; C558-M562 WeakPolarHBondContact O-CG 3.36Å; C558-M562 PolarHBondContact O-N 3.41Å
559	P	93	Very high	91.4	Very high	66 Å²	66	61 Å²	61	43%	0.429	34%	0.342	S	S	.	.	H	α-helix	trans	-53.3	-35.8	179	-30.1	36	0	0	0	114.3	S557 T563	S557-P559 WeakPolarHBondContact O-CD 3.34Å; P559-T563 WeakPolarHBondContact O-CB 3.05Å; P559-T563 WeakPolarHBondContact O-CG2 3.49Å; P559-T563 PolarHBondContact O-N 3.49Å; P559-T563 PolarHBondContact O-OG1 3.16Å
560	C	93.7	Very high	91.6	Very high	1 Å²	1	60 Å²	60	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-41.8	174.3	-58.9	0	0	0	0	112	C558 T563 Q564 N565 C571	C558-C560 PolarHBondContact O-N 2.82Å; C558-C560 VanDerWaalsContact O-N 3.09Å; C560-T563 PolarHBondContact O-OG1 3.07Å; C560-Q564 PolarHBondContact O-N 3.08Å; C560-N565 CarbonylContact C-O 3.53Å; C560-N565 CarbonylContact O-C 3.56Å; C560-N565 WeakPolarHBondContact O-CA 3.27Å; C560-N565 PolarHBondContact O-N 3.26Å; C560-C571 VanDerWaalsContact SG-SG 3.69Å
561	V	92.9	Very high	92	Very high	49 Å²	49	56.3 Å²	56.3	30%	0.297	31%	0.313	S	S	.	.	H	α-helix	trans	-72.7	-39.5	-179.2	179.2	0	0	0	0	110.8	C554 D555 C558 Q564 N579	C554-V561 HydrophobicContact CB-CG2 4.39Å; D555-V561 VanDerWaalsContact O-CB 3.27Å; D555-V561 WeakPolarHBondContact O-CB 3.18Å; D555-V561 WeakPolarHBondContact O-CG2 3.43Å; C558-V561 HydrophobicContact CB-CB 4.11Å; C558-V561 HydrophobicContact CB-CG2 3.87Å; C558-V561 WeakPolarHBondContact O-CA 3.4Å; C558-V561 PolarHBondContact O-N 3.38Å; V561-Q564 WeakPolarHBondContact O-CA 3.4Å; V561-Q564 PolarHBondContact O-N 3.39Å; V561-N579 HydrophobicContact CG2-CB 4.36Å
562	M	91.3	Very high	92.5	Very high	126 Å²	126	49.9 Å²	49.9	62%	0.621	28%	0.278	S	S	*	.	H	α-helix	trans	-60.5	-47.2	175	-66.3	173.4	67.9	0	0	112	S556 C558 Q564	S556-M562 WeakPolarHBondContact O-CG 3.3Å; C558-M562 WeakPolarHBondContact O-CG 3.36Å; C558-M562 PolarHBondContact O-N 3.41Å; M562-Q564 PolarHBondContact O-N 3.06Å; M562-Q564 VanDerWaalsContact O-N 3.16Å
563	T	89.9	Confident	92.8	Very high	43 Å²	43	44.1 Å²	44.1	26%	0.264	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	4.3	173.1	56	0	0	0	0	113.4	Y542 P559 C560 N565	Y542-T563 HydrophobicContact CG-CG2 4.4Å; P559-T563 WeakPolarHBondContact O-CB 3.05Å; P559-T563 WeakPolarHBondContact O-CG2 3.49Å; P559-T563 PolarHBondContact O-N 3.49Å; P559-T563 PolarHBondContact O-OG1 3.16Å; C560-T563 PolarHBondContact O-OG1 3.07Å; T563-N565 PolarHBondContact O-N 2.79Å; T563-N565 VanDerWaalsContact O-N 3.12Å; T563-N565 PolarHBondContact OG1-ND2 2.71Å
564	Q	90.3	Very high	92.6	Very high	92 Å²	92	46.7 Å²	46.7	43%	0.43	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	23.9	-178.2	-40.4	-177.1	8.9	0	0	115.2	K534 C560 V561 M562	K534-Q564 PolarHBondContact NZ-O 3.41Å; C560-Q564 PolarHBondContact O-N 3.08Å; V561-Q564 WeakPolarHBondContact O-CA 3.4Å; V561-Q564 PolarHBondContact O-N 3.39Å; M562-Q564 PolarHBondContact O-N 3.06Å; M562-Q564 VanDerWaalsContact O-N 3.16Å
565	N	93.4	Very high	92.2	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.112	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-91.7	153.3	178.3	-84.4	-49	0	0	0	112.1	Y542 C560 T563 N579	Y542-N565 PolarHBondContact O-ND2 3.42Å; C560-N565 CarbonylContact C-O 3.53Å; C560-N565 CarbonylContact O-C 3.56Å; C560-N565 WeakPolarHBondContact O-CA 3.27Å; C560-N565 PolarHBondContact O-N 3.26Å; T563-N565 PolarHBondContact O-N 2.79Å; T563-N565 VanDerWaalsContact O-N 3.12Å; T563-N565 PolarHBondContact OG1-ND2 2.71Å; N565-N579 PolarHBondContact O-ND2 3.35Å
566	F	95.3	Very high	92	Very high	67 Å²	67	55.2 Å²	55.2	29%	0.294	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-75.4	150.4	169.9	-67.2	-71.3	0	0	0	111.1	E568 F581	F566-E568 PolarHBondContact O-N 3.18Å; F566-F581 HydrophobicContact CB-CB 4.04Å; F566-F581 HydrophobicContact CD2-CD2 4.08Å; F566-F581 HydrophobicContact CE2-CD2 4.3Å; F566-F581 HydrophobicContact CG-CB 4.31Å; F566-F581 HydrophobicContact CG-CD2 4.25Å
567	C	95.2	Very high	92	Very high	1 Å²	1	51 Å²	51	1%	0.007	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-76.7	120.9	169.3	-63.2	0	0	0	0	110.1	C554 C571 N579 R580 F581	C554-C567 VanDerWaalsContact SG-SG 3.67Å; C567-C571 HydrophobicContact CB-CB 4.19Å; C567-N579 PolarHBondContact N-ND2 3.24Å; C567-N579 PolarHBondContact N-O 2.94Å; C567-N579 PolarHBondContact SG-ND2 3.48Å; C567-N579 VanDerWaalsContact SG-ND2 3.38Å; C567-R580 HydrophobicContact CB-CG 3.71Å; C567-R580 VanDerWaalsContact O-CA 3.23Å; C567-R580 WeakPolarHBondContact O-CA 3.46Å; C567-F581 PolarHBondContact O-N 2.95Å
568	E	94.9	Very high	92	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	27%	0.268	C	S	.	.			trans	-89.5	174.1	177.5	-52.4	-58.7	160.9	0	0	112.8	Y544 F566 F570 C571 R580 R602	Y544-E568 HydrophobicContact CD1-CG 4.21Å; Y544-E568 HydrophobicContact CD2-CG 3.96Å; Y544-E568 HydrophobicContact CE1-CB 4.07Å; Y544-E568 HydrophobicContact CE1-CG 3.86Å; Y544-E568 HydrophobicContact CE2-CB 4.04Å; Y544-E568 HydrophobicContact CE2-CG 3.6Å; Y544-E568 HydrophobicContact CG-CG 4.26Å; Y544-E568 WeakPolarHBondContact OH-CB 3.09Å; F566-E568 PolarHBondContact O-N 3.18Å; E568-F570 HydrophobicContact CB-CD2 3.87Å; E568-F570 HydrophobicContact CB-CE2 4.36Å; E568-F570 PolarHBondContact O-N 3.05Å; E568-C571 WeakPolarHBondContact O-CB 3.44Å; E568-C571 PolarHBondContact O-N 3.36Å; E568-R580 PolarHBondContact O-NH1 3Å; E568-R602 IonicContact OE1-CZ 3.7Å; E568-R602 IonicContact OE1-NH1 3.88Å; E568-R602 PolarHBondContact OE1-NH1 2.9Å; E568-R602 IonicContact OE1-NH2 3.6Å; E568-R602 PolarHBondContact OE1-NH2 3.34Å; E568-R602 IonicContact OE2-CZ 3.81Å; E568-R602 IonicContact OE2-NH2 3.5Å; E568-R602 PolarHBondContact OE2-NH2 3.26Å
569	K	92.1	Very high	92	Very high	48 Å²	48	56 Å²	56	21%	0.209	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-18.2	174	61.3	-172.7	169.8	-168.8	0	115.4	D605 D607 N727	K569-D605 WeakPolarHBondContact CD-OD2 3.44Å; K569-D605 WeakPolarHBondContact CE-OD2 3.3Å; K569-D605 IonicContact NZ-OD1 2.71Å; K569-D605 PolarHBondContact NZ-OD1 2.88Å; K569-D605 IonicContact NZ-OD2 3.25Å; K569-D605 PolarHBondContact NZ-OD2 3.05Å; K569-D607 HydrophobicContact CD-CB 4.05Å; K569-D607 VanDerWaalsContact CD-OD2 3.25Å; K569-D607 WeakPolarHBondContact CD-OD2 3.13Å; K569-D607 WeakPolarHBondContact CE-OD2 3.36Å; K569-D607 IonicContact NZ-OD2 2.71Å; K569-D607 PolarHBondContact NZ-OD2 3.42Å; K569-N727 PolarHBondContact NZ-OD1 3.31Å
570	F	93.9	Very high	92.1	Very high	10 Å²	10	54.5 Å²	54.5	4%	0.044	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-23	178.3	-43.2	-73.4	0	0	0	113.9	R338 Y544 P546 E568 Q572 N727	R338-F570 HydrophobicContact CB-CE1 4.22Å; R338-F570 HydrophobicContact CB-CZ 4.42Å; R338-F570 HydrophobicContact CG-CD1 3.96Å; R338-F570 HydrophobicContact CG-CD2 4.34Å; R338-F570 HydrophobicContact CG-CE1 4.13Å; R338-F570 HydrophobicContact CG-CE2 4.5Å; R338-F570 HydrophobicContact CG-CG 4.05Å; R338-F570 HydrophobicContact CG-CZ 4.38Å; Y544-F570 AromaticContact CE1-CD2 3.94Å; Y544-F570 HydrophobicContact CE1-CD2 3.94Å; P546-F570 HydrophobicContact CB-CB 4.06Å; P546-F570 HydrophobicContact CG-CB 3.82Å; E568-F570 HydrophobicContact CB-CD2 3.87Å; E568-F570 HydrophobicContact CB-CE2 4.36Å; E568-F570 PolarHBondContact O-N 3.05Å; F570-Q572 PolarHBondContact O-NE2 3.05Å; F570-N727 WeakPolarHBondContact CE2-O 3.47Å
571	C	93.6	Very high	92.2	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.02	27%	0.266	C	S	.	.			trans	-60.5	144.2	177.3	-65.8	0	0	0	0	111.3	Y544 C547 C560 C567 E568 R580	Y544-C571 PolarHBondContact OH-SG 3.06Å; C547-C571 VanDerWaalsContact SG-SG 3.7Å; C560-C571 VanDerWaalsContact SG-SG 3.69Å; C567-C571 HydrophobicContact CB-CB 4.19Å; E568-C571 WeakPolarHBondContact O-CB 3.44Å; E568-C571 PolarHBondContact O-N 3.36Å; C571-R580 PolarHBondContact O-NH2 3.41Å
572	Q	92.9	Very high	92.2	Very high	34 Å²	34	55.5 Å²	55.5	16%	0.159	27%	0.269	C	S	.	.			trans	-91.8	0.7	179.7	-63	-50.8	-49.5	0	0	114.6	N354 V355 K359 C547 D548 F570	N354-Q572 HydrophobicContact CB-CG 4.42Å; V355-Q572 HydrophobicContact CG2-CG 4.04Å; K359-Q572 PolarHBondContact NZ-O 3.46Å; C547-Q572 PolarHBondContact O-N 3.28Å; D548-Q572 HydrophobicContact CB-CB 4.08Å; D548-Q572 HydrophobicContact CB-CG 4.28Å; D548-Q572 WeakPolarHBondContact OD1-CB 3.49Å; F570-Q572 PolarHBondContact O-NE2 3.05Å
573	C	91.4	Very high	92.3	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.041	24%	0.243	C	C	.	.	S	Bend	trans	-61.4	170.1	170.6	64.9	0	0	0	0	113.2	C554 R580	C554-C573 WeakPolarHBondContact SG-CB 3.41Å; C554-C573 PolarHBondContact SG-SG 3.46Å; C573-R580 PolarHBondContact O-NH2 3.36Å; C573-R580 VanDerWaalsContact SG-CZ 3.56Å; C573-R580 PolarHBondContact SG-NH2 3.27Å; C573-R580 VanDerWaalsContact SG-NH2 3.38Å
574	E	88.5	Confident	92.6	Very high	137 Å²	137	48 Å²	48	64%	0.64	23%	0.232	S	C	*	.			trans	-56.1	148.3	-177.4	-63.3	-164.6	154	0	0	114.5	Q576 C577 R580	E574-Q576 PolarHBondContact O-N 3.01Å; E574-Q576 VanDerWaalsContact O-N 3.16Å; E574-C577 WeakPolarHBondContact O-CB 3.47Å; E574-C577 PolarHBondContact O-N 3.03Å; E574-C577 VanDerWaalsContact O-N 3.1Å; E574-R580 WeakPolarHBondContact O-CD 3.28Å; E574-R580 PolarHBondContact O-NE 2.94Å
575	H	85.3	Confident	92.8	Very high	140 Å²	140	54.5 Å²	54.5	65%	0.648	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	174.4	-64.3	-70	0	0	0	113.6
576	Q	88.1	Confident	92.9	Very high	133 Å²	133	54.9 Å²	54.9	62%	0.621	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1	-180	-62.9	-171.2	64	0	0	113.8	R522 E574 Q578	R522-Q576 PolarHBondContact NH2-O 2.93Å; E574-Q576 PolarHBondContact O-N 3.01Å; E574-Q576 VanDerWaalsContact O-N 3.16Å; Q576-Q578 PolarHBondContact O-N 3.29Å
577	C	91.6	Very high	92.7	Very high	14 Å²	14	60.7 Å²	60.7	10%	0.095	28%	0.282	C	S	.	.			trans	-45.2	134	179.4	168	0	0	0	0	112.1	E574 N579 R580	E574-C577 WeakPolarHBondContact O-CB 3.47Å; E574-C577 PolarHBondContact O-N 3.03Å; E574-C577 VanDerWaalsContact O-N 3.1Å; C577-N579 PolarHBondContact SG-N 3.39Å; C577-N579 VanDerWaalsContact SG-N 3.4Å; C577-R580 HydrophobicContact CB-CG 3.85Å; C577-R580 PolarHBondContact O-N 3Å
578	Q	91.6	Very high	92.4	Very high	146 Å²	146	64 Å²	64	68%	0.682	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.7	-175.8	-55.7	-62.6	-12.1	0	0	112.6	Q576 R580	Q576-Q578 PolarHBondContact O-N 3.29Å; Q578-R580 VanDerWaalsContact C-N 3.27Å; Q578-R580 PolarHBondContact O-N 2.94Å
579	N	93.9	Very high	92.1	Very high	37 Å²	37	68.9 Å²	68.9	20%	0.198	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.9	175.2	-163.6	44.6	0	0	0	113.3	C554 V561 N565 C567 C577	C554-N579 HydrophobicContact CB-CB 4.49Å; V561-N579 HydrophobicContact CG2-CB 4.36Å; N565-N579 PolarHBondContact O-ND2 3.35Å; C567-N579 PolarHBondContact N-ND2 3.24Å; C567-N579 PolarHBondContact N-O 2.94Å; C567-N579 PolarHBondContact SG-ND2 3.48Å; C567-N579 VanDerWaalsContact SG-ND2 3.38Å; C577-N579 PolarHBondContact SG-N 3.39Å; C577-N579 VanDerWaalsContact SG-N 3.4Å
580	R	95.3	Very high	92.3	Very high	34 Å²	34	66.9 Å²	66.9	13%	0.128	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-73.2	130.6	176.9	-77.7	179.8	177.7	-76.5	5.5	111.8	C567 E568 C571 C573 E574 C577 Q578	C567-R580 HydrophobicContact CB-CG 3.71Å; C567-R580 VanDerWaalsContact O-CA 3.23Å; C567-R580 WeakPolarHBondContact O-CA 3.46Å; E568-R580 PolarHBondContact O-NH1 3Å; C571-R580 PolarHBondContact O-NH2 3.41Å; C573-R580 PolarHBondContact O-NH2 3.36Å; C573-R580 VanDerWaalsContact SG-CZ 3.56Å; C573-R580 PolarHBondContact SG-NH2 3.27Å; C573-R580 VanDerWaalsContact SG-NH2 3.38Å; E574-R580 WeakPolarHBondContact O-CD 3.28Å; E574-R580 PolarHBondContact O-NE 2.94Å; C577-R580 HydrophobicContact CB-CG 3.85Å; C577-R580 PolarHBondContact O-N 3Å; Q578-R580 VanDerWaalsContact C-N 3.27Å; Q578-R580 PolarHBondContact O-N 2.94Å
581	F	95.3	Very high	92.2	Very high	16 Å²	16	69.7 Å²	69.7	7%	0.07	33%	0.332	C	S	.	.			trans	-66	126.1	174.6	-169	-100.6	0	0	0	110.1	F566 C567 G583 A600	F566-F581 HydrophobicContact CB-CB 4.04Å; F566-F581 HydrophobicContact CD2-CD2 4.08Å; F566-F581 HydrophobicContact CE2-CD2 4.3Å; F566-F581 HydrophobicContact CG-CB 4.31Å; F566-F581 HydrophobicContact CG-CD2 4.25Å; C567-F581 PolarHBondContact O-N 2.95Å; F581-G583 PolarHBondContact O-N 3Å; F581-A600 HydrophobicContact CE2-CB 4.08Å
582	P	92.7	Very high	92.2	Very high	56 Å²	56	72.5 Å²	72.5	36%	0.364	35%	0.349	S	S	.	.			trans	-86.8	-2.6	-169.2	33.9	-37.2	0	0	0	114.9	W527	W527-P582 HydrophobicContact CE3-CG 4.44Å; W527-P582 HydrophobicContact CH2-CB 4.05Å; W527-P582 HydrophobicContact CH2-CG 3.94Å; W527-P582 HydrophobicContact CZ2-CB 4.47Å; W527-P582 HydrophobicContact CZ2-CG 4.23Å; W527-P582 HydrophobicContact CZ3-CG 4.06Å
583	G	94.1	Very high	92.2	Very high	7 Å²	7	78.8 Å²	78.8	7%	0.072	38%	0.376	C	S	.	.			trans	71.9	-172.3	-167.7	0	0	0	0	0	113.2	F581	F581-G583 PolarHBondContact O-N 3Å
584	C	94.9	Very high	92.3	Very high	4 Å²	4	86.9 Å²	86.9	3%	0.027	41%	0.413	C	S	.	.			trans	-112.8	160.6	175	77.8	0	0	0	0	112.3	C609	C584-C609 PolarHBondContact N-SG 3.18Å; C584-C609 VanDerWaalsContact N-SG 3.39Å
585	R	95.3	Very high	92.6	Very high	228 Å²	228	80.4 Å²	80.4	86%	0.86	38%	0.383	S	S	*	.			trans	-119.5	32.1	173.4	-62.6	-175.6	178.4	-139.1	-4.5	112.1	T611	R585-T611 VanDerWaalsContact C-OG1 3.25Å; R585-T611 WeakPolarHBondContact CA-OG1 3.25Å
586	C	95.3	Very high	93.1	Very high	30 Å²	30	75.3 Å²	75.3	20%	0.203	36%	0.363	C	S	.	.			trans	-70.8	157.5	178.5	-59.6	0	0	0	0	110.2	C590 C595 T611 C612	C586-C590 VanDerWaalsContact CB-SG 3.51Å; C586-C595 VanDerWaalsContact SG-SG 3.7Å; C586-T611 CarbonylContact O-C 3.14Å; C586-T611 PolarHBondContact O-OG1 3.37Å; C586-C612 HydrophobicContact CB-CB 4.11Å; C586-C612 VanDerWaalsContact O-CA 3.28Å; C586-C612 WeakPolarHBondContact O-CA 3.39Å; C586-C612 WeakPolarHBondContact O-CB 3.33Å; C586-C612 PolarHBondContact O-N 2.67Å
587	K	90.9	Very high	93.5	Very high	189 Å²	189	69 Å²	69	82%	0.822	33%	0.333	S	S	*	.	S	Bend	trans	-88.1	-30	176.5	-64.8	-174.2	178.4	-176.5	0	113.5
588	T	89.8	Confident	93.6	Very high	71 Å²	71	71 Å²	71	44%	0.436	34%	0.339	S	S	.	.	S	Bend	trans	-167.2	172	-175.8	-172.7	0	0	0	0	110.4	C590 S624	T588-C590 VanDerWaalsContact C-N 3.28Å; T588-C590 PolarHBondContact O-N 3.22Å; T588-S624 PolarHBondContact OG1-O 2.92Å
589	Q	89	Confident	93.7	Very high	104 Å²	104	67.5 Å²	67.5	49%	0.486	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	61.1	-57.5	173	-63.3	179.4	-2.4	0	0	116.7	N591 S624 K626	Q589-N591 PolarHBondContact O-N 2.84Å; Q589-N591 VanDerWaalsContact O-N 3.1Å; Q589-S624 VanDerWaalsContact CA-O 3.29Å; Q589-S624 WeakPolarHBondContact CA-O 3.28Å; Q589-S624 PolarHBondContact N-O 3.38Å; Q589-K626 WeakPolarHBondContact O-CA 3.48Å; Q589-K626 WeakPolarHBondContact O-CB 3.49Å; Q589-K626 PolarHBondContact O-N 3.27Å
590	C	94.8	Very high	93.7	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.034	32%	0.323	C	S	.	.			trans	55	21.7	-178.8	-68.6	0	0	0	0	115.9	C586 T588 C595 Y598 C604 C612 N627	C586-C590 VanDerWaalsContact CB-SG 3.51Å; T588-C590 VanDerWaalsContact C-N 3.28Å; T588-C590 PolarHBondContact O-N 3.22Å; C590-C595 HydrophobicContact CB-CB 4.22Å; C590-Y598 VanDerWaalsContact O-CB 3.29Å; C590-Y598 WeakPolarHBondContact O-CB 3.4Å; C590-C604 VanDerWaalsContact SG-SG 3.7Å; C590-C612 WeakPolarHBondContact SG-CB 3.28Å; C590-N627 HydrophobicContact CB-CB 3.69Å; C590-N627 WeakPolarHBondContact O-CB 3.3Å
591	N	93.1	Very high	93.7	Very high	70 Å²	70	67.9 Å²	67.9	37%	0.374	33%	0.334	S	S	.	.			trans	-101.7	14.5	-174	62.3	-11.3	0	0	0	114.1	Q589	Q589-N591 PolarHBondContact O-N 2.84Å; Q589-N591 VanDerWaalsContact O-N 3.1Å
592	T	92.8	Very high	93.7	Very high	61 Å²	61	67.7 Å²	67.7	37%	0.374	33%	0.333	S	S	.	.	S	Bend	trans	-128.1	162.6	-179.3	71.6	0	0	0	0	111.7	Q594 C595 Y598	T592-Q594 PolarHBondContact O-N 2.88Å; T592-Q594 PolarHBondContact OG1-N 2.94Å; T592-C595 PolarHBondContact O-N 3.32Å; T592-Y598 VanDerWaalsContact C-CD1 3.42Å; T592-Y598 WeakPolarHBondContact O-CD1 3.38Å
593	K	92.5	Very high	93.9	Very high	166 Å²	166	65.4 Å²	65.4	72%	0.722	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-9.5	175.6	-66.9	-174.7	178	-176.5	0	114.4	C595 L599	K593-C595 VanDerWaalsContact C-N 3.3Å; K593-L599 HydrophobicContact CB-CD1 4.19Å; K593-L599 HydrophobicContact CD-CD1 4.4Å; K593-L599 HydrophobicContact CG-CD1 4.12Å
594	Q	92.9	Very high	94	Very high	176 Å²	176	65.1 Å²	65.1	82%	0.822	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.7	171.3	-59.5	-177.4	5.1	0	0	112.5	T592 P596	T592-Q594 PolarHBondContact O-N 2.88Å; T592-Q594 PolarHBondContact OG1-N 2.94Å; Q594-P596 WeakPolarHBondContact O-CD 3.37Å
595	C	95.8	Very high	94.1	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.007	31%	0.314	C	S	.	.	S	Bend	trans	-85.7	122.6	176.7	-178.7	0	0	0	0	110.6	C586 C590 T592 K593 C597 Y598 L599	C586-C595 VanDerWaalsContact SG-SG 3.7Å; C590-C595 HydrophobicContact CB-CB 4.22Å; T592-C595 PolarHBondContact O-N 3.32Å; K593-C595 VanDerWaalsContact C-N 3.3Å; C595-C597 VanDerWaalsContact C-N 3.26Å; C595-C597 PolarHBondContact O-N 2.87Å; C595-Y598 PolarHBondContact O-N 2.89Å; C595-L599 WeakPolarHBondContact O-CB 3.35Å; C595-L599 PolarHBondContact O-N 2.71Å
596	P	95.4	Very high	94	Very high	34 Å²	34	55 Å²	55	22%	0.221	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-34	177.3	-27.5	35.9	0	0	0	114.1	Q594 A600	Q594-P596 WeakPolarHBondContact O-CD 3.37Å; P596-A600 WeakPolarHBondContact O-CB 3.43Å; P596-A600 PolarHBondContact O-N 3.27Å
597	C	96.1	Very high	94	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-53.1	175.7	-59.5	0	0	0	0	111	C595 L599 A600 V601 R602	C595-C597 VanDerWaalsContact C-N 3.26Å; C595-C597 PolarHBondContact O-N 2.87Å; C597-L599 PolarHBondContact O-N 3.06Å; C597-A600 CarbonylContact O-C 3.22Å; C597-A600 PolarHBondContact O-N 2.89Å; C597-V601 PolarHBondContact O-N 2.96Å; C597-R602 CarbonylContact C-O 3.59Å; C597-R602 WeakPolarHBondContact CB-O 3.48Å; C597-R602 PolarHBondContact O-N 2.97Å; C597-R602 VanDerWaalsContact O-O 3.07Å
598	Y	95.1	Very high	94.1	Very high	56 Å²	56	52 Å²	52	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-40.7	-177.6	-172.9	-91.5	0	0	0	112.6	C590 T592 C595 A600 V601	C590-Y598 VanDerWaalsContact O-CB 3.29Å; C590-Y598 WeakPolarHBondContact O-CB 3.4Å; T592-Y598 VanDerWaalsContact C-CD1 3.42Å; T592-Y598 WeakPolarHBondContact O-CD1 3.38Å; C595-Y598 PolarHBondContact O-N 2.89Å; Y598-A600 VanDerWaalsContact C-N 3.32Å; Y598-V601 PolarHBondContact O-N 3.01Å; Y598-V601 VanDerWaalsContact O-N 3.14Å
599	L	93.9	Very high	94.4	Very high	72 Å²	72	48.7 Å²	48.7	38%	0.377	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-37.8	174.7	-177.4	64.4	0	0	0	112.1	K593 C595 C597 V601	K593-L599 HydrophobicContact CB-CD1 4.19Å; K593-L599 HydrophobicContact CD-CD1 4.4Å; K593-L599 HydrophobicContact CG-CD1 4.12Å; C595-L599 WeakPolarHBondContact O-CB 3.35Å; C595-L599 PolarHBondContact O-N 2.71Å; C597-L599 PolarHBondContact O-N 3.06Å; L599-V601 PolarHBondContact O-N 2.52Å
600	A	92.4	Very high	94.6	Very high	20 Å²	20	49.1 Å²	49.1	17%	0.165	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	3.2	175.3	0	0	0	0	0	114.1	F581 P596 C597 Y598 R602	F581-A600 HydrophobicContact CE2-CB 4.08Å; P596-A600 WeakPolarHBondContact O-CB 3.43Å; P596-A600 PolarHBondContact O-N 3.27Å; C597-A600 CarbonylContact O-C 3.22Å; C597-A600 PolarHBondContact O-N 2.89Å; Y598-A600 VanDerWaalsContact C-N 3.32Å; A600-R602 HydrophobicContact CB-CG 3.98Å; A600-R602 WeakPolarHBondContact O-CG 3.34Å
601	V	94.9	Very high	94.5	Very high	59 Å²	59	52.6 Å²	52.6	36%	0.358	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	46.6	-176	-178.4	0	0	0	0	111.9	C597 Y598 L599 K722 V723 V724 M725	C597-V601 PolarHBondContact O-N 2.96Å; Y598-V601 PolarHBondContact O-N 3.01Å; Y598-V601 VanDerWaalsContact O-N 3.14Å; L599-V601 PolarHBondContact O-N 2.52Å; V601-K722 VanDerWaalsContact CG1-CE 3.48Å; V601-V723 WeakPolarHBondContact CG1-O 3.45Å; V601-V724 HydrophobicContact CG1-CG2 4.5Å; V601-M725 PolarHBondContact O-N 3.13Å; V601-M725 VanDerWaalsContact O-N 3.11Å
602	R	96.1	Very high	94.5	Very high	13 Å²	13	49.2 Å²	49.2	5%	0.049	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-131.3	146	-179.1	-53.8	179.2	56.2	94.6	2	112	E568 C597 A600 N627 M725	E568-R602 IonicContact OE1-CZ 3.7Å; E568-R602 IonicContact OE1-NH1 3.88Å; E568-R602 PolarHBondContact OE1-NH1 2.9Å; E568-R602 IonicContact OE1-NH2 3.6Å; E568-R602 PolarHBondContact OE1-NH2 3.34Å; E568-R602 IonicContact OE2-CZ 3.81Å; E568-R602 IonicContact OE2-NH2 3.5Å; E568-R602 PolarHBondContact OE2-NH2 3.26Å; C597-R602 CarbonylContact C-O 3.59Å; C597-R602 WeakPolarHBondContact CB-O 3.48Å; C597-R602 PolarHBondContact O-N 2.97Å; C597-R602 VanDerWaalsContact O-O 3.07Å; A600-R602 HydrophobicContact CB-CG 3.98Å; A600-R602 WeakPolarHBondContact O-CG 3.34Å; R602-N627 PolarHBondContact O-ND2 2.9Å; R602-M725 VanDerWaalsContact CA-O 3.29Å; R602-M725 WeakPolarHBondContact CA-O 3.36Å; R602-M725 HydrophobicContact CG-CB 4.35Å; R602-M725 PolarHBondContact NH1-SD 2.72Å
603	E	96.1	Very high	94.4	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.037	24%	0.237	C	C	.	.			trans	-71.4	162.4	163.3	-73.9	-152.9	143.3	0	0	111.5	D605 N627 C628 S629 I630 Q631 V724 M725 V726	E603-D605 PolarHBondContact O-N 3.35Å; E603-N627 CarbonylContact C-O 3.55Å; E603-N627 WeakPolarHBondContact CA-O 3.5Å; E603-N627 WeakPolarHBondContact CB-O 3.41Å; E603-C628 VanDerWaalsContact CD-CA 3.46Å; E603-C628 WeakPolarHBondContact OE1-CA 3.46Å; E603-C628 PolarHBondContact OE1-N 2.88Å; E603-C628 WeakPolarHBondContact OE2-CA 3.28Å; E603-S629 PolarHBondContact OE1-N 2.78Å; E603-I630 PolarHBondContact OE1-N 3.43Å; E603-I630 PolarHBondContact OE2-N 3.44Å; E603-Q631 PolarHBondContact OE2-N 2.82Å; E603-V724 HydrophobicContact CG-CG1 3.99Å; E603-M725 PolarHBondContact N-O 2.94Å; E603-V726 HydrophobicContact CB-CG2 4.23Å; E603-V726 HydrophobicContact CG-CG2 3.98Å
604	C	96.8	Very high	94.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.			trans	-78.2	103.9	178.4	-71.5	0	0	0	0	110.5	C590 C609 A614 N627 Q631	C590-C604 VanDerWaalsContact SG-SG 3.7Å; C604-C609 HydrophobicContact CB-CB 3.91Å; C604-A614 HydrophobicContact CB-CB 3.7Å; C604-N627 PolarHBondContact N-O 3.07Å; C604-N627 PolarHBondContact SG-ND2 2.96Å; C604-Q631 PolarHBondContact O-OE1 2.99Å
605	D	96.4	Very high	94.4	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	17%	0.17	C	C	.	.			trans	-54.1	123.9	173.8	-174.1	-45.5	0	0	0	110.8	K569 E603 D607 L608 C609	K569-D605 WeakPolarHBondContact CD-OD2 3.44Å; K569-D605 WeakPolarHBondContact CE-OD2 3.3Å; K569-D605 IonicContact NZ-OD1 2.71Å; K569-D605 PolarHBondContact NZ-OD1 2.88Å; K569-D605 IonicContact NZ-OD2 3.25Å; K569-D605 PolarHBondContact NZ-OD2 3.05Å; E603-D605 PolarHBondContact O-N 3.35Å; D605-D607 VanDerWaalsContact C-N 3.31Å; D605-D607 PolarHBondContact O-N 3.23Å; D605-D607 WeakPolarHBondContact OD1-CB 3.48Å; D605-D607 PolarHBondContact OD1-N 2.64Å; D605-L608 HydrophobicContact CB-CB 4.21Å; D605-L608 HydrophobicContact CB-CD1 4.09Å; D605-L608 HydrophobicContact CB-CG 4.24Å; D605-L608 PolarHBondContact O-N 3.07Å; D605-C609 WeakPolarHBondContact O-CB 3.48Å; D605-C609 PolarHBondContact O-N 3.34Å; D605-C609 PolarHBondContact O-SG 3.08Å
606	P	94.7	Very high	94	Very high	17 Å²	17	34 Å²	34	11%	0.11	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.8	-175.3	31.1	-35.8	0	0	0	114.1	A615 W618 N727	P606-A615 VanDerWaalsContact O-CB 3.29Å; P606-A615 WeakPolarHBondContact O-CB 3.49Å; P606-W618 HydrophobicContact CB-CH2 3.52Å; P606-W618 HydrophobicContact CB-CZ2 3.82Å; P606-W618 HydrophobicContact CG-CH2 3.91Å; P606-W618 HydrophobicContact CG-CZ2 4.5Å; P606-N727 VanDerWaalsContact CD-OD1 3.24Å; P606-N727 WeakPolarHBondContact CD-OD1 3.4Å
607	D	93.9	Very high	93.3	Very high	95 Å²	95	39.4 Å²	39.4	51%	0.508	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-11.6	176.2	-63.1	-52.7	0	0	0	112.3	K569 D605	K569-D607 HydrophobicContact CD-CB 4.05Å; K569-D607 VanDerWaalsContact CD-OD2 3.25Å; K569-D607 WeakPolarHBondContact CD-OD2 3.13Å; K569-D607 WeakPolarHBondContact CE-OD2 3.36Å; K569-D607 IonicContact NZ-OD2 2.71Å; K569-D607 PolarHBondContact NZ-OD2 3.42Å; D605-D607 VanDerWaalsContact C-N 3.31Å; D605-D607 PolarHBondContact O-N 3.23Å; D605-D607 WeakPolarHBondContact OD1-CB 3.48Å; D605-D607 PolarHBondContact OD1-N 2.64Å
608	L	93.9	Very high	92.8	Very high	61 Å²	61	46.4 Å²	46.4	32%	0.319	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-38.5	-177.1	-57.5	177.4	0	0	0	112.9	D605 M610	D605-L608 HydrophobicContact CB-CB 4.21Å; D605-L608 HydrophobicContact CB-CD1 4.09Å; D605-L608 HydrophobicContact CB-CG 4.24Å; D605-L608 PolarHBondContact O-N 3.07Å; L608-M610 VanDerWaalsContact C-N 3.27Å; L608-M610 PolarHBondContact O-N 3.37Å; L608-M610 VanDerWaalsContact O-N 3.11Å
609	C	95.1	Very high	92.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.			trans	-90.7	48.6	-170.7	-56.3	0	0	0	0	112.6	C584 C604 D605 T611 C612 A614	C584-C609 PolarHBondContact N-SG 3.18Å; C584-C609 VanDerWaalsContact N-SG 3.39Å; C604-C609 HydrophobicContact CB-CB 3.91Å; D605-C609 WeakPolarHBondContact O-CB 3.48Å; D605-C609 PolarHBondContact O-N 3.34Å; D605-C609 PolarHBondContact O-SG 3.08Å; C609-T611 PolarHBondContact O-N 3.47Å; C609-C612 PolarHBondContact O-N 3.4Å; C609-C612 PolarHBondContact O-SG 3.43Å; C609-A614 HydrophobicContact CB-CB 4.12Å
610	M	93	Very high	92	Very high	113 Å²	113	50.5 Å²	50.5	56%	0.557	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	1.8	-170.5	-52.2	-55.5	-60.4	0	0	116.3	L608 A615	L608-M610 VanDerWaalsContact C-N 3.27Å; L608-M610 PolarHBondContact O-N 3.37Å; L608-M610 VanDerWaalsContact O-N 3.11Å; M610-A615 HydrophobicContact CE-CB 3.76Å; M610-A615 HydrophobicContact SD-CB 3.95Å
611	T	93.6	Very high	91.3	Very high	78 Å²	78	58 Å²	58	48%	0.479	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-12	-175.6	68	0	0	0	0	114.5	R585 C586 C609	R585-T611 VanDerWaalsContact C-OG1 3.25Å; R585-T611 WeakPolarHBondContact CA-OG1 3.25Å; C586-T611 CarbonylContact O-C 3.14Å; C586-T611 PolarHBondContact O-OG1 3.37Å; C609-T611 PolarHBondContact O-N 3.47Å
612	C	93.3	Very high	90.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-3.3	-171.8	68.9	0	0	0	0	114.4	C586 C590 C609 S624 C625	C586-C612 HydrophobicContact CB-CB 4.11Å; C586-C612 VanDerWaalsContact O-CA 3.28Å; C586-C612 WeakPolarHBondContact O-CA 3.39Å; C586-C612 WeakPolarHBondContact O-CB 3.33Å; C586-C612 PolarHBondContact O-N 2.67Å; C590-C612 WeakPolarHBondContact SG-CB 3.28Å; C609-C612 PolarHBondContact O-N 3.4Å; C609-C612 PolarHBondContact O-SG 3.43Å; C612-S624 PolarHBondContact O-OG 2.86Å; C612-C625 WeakPolarHBondContact O-CA 3.48Å; C612-C625 VanDerWaalsContact O-CB 3.31Å; C612-C625 WeakPolarHBondContact O-CB 3.02Å; C612-C625 PolarHBondContact O-N 2.85Å
613	G	91.6	Very high	90.2	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	-12.3	-172.4	0	0	0	0	0	115.5	A615 D616 V623 S624	G613-A615 PolarHBondContact O-N 3.47Å; G613-D616 VanDerWaalsContact CA-OD2 3.26Å; G613-D616 WeakPolarHBondContact CA-OD2 3.36Å; G613-D616 PolarHBondContact O-N 3.42Å; G613-D616 VanDerWaalsContact O-N 3.13Å; G613-V623 WeakPolarHBondContact O-CG1 3.25Å; G613-S624 VanDerWaalsContact CA-OG 3.26Å; G613-S624 WeakPolarHBondContact CA-OG 3.48Å
614	A	92.4	Very high	90	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.1	-172.3	0	0	0	0	0	113.6	C604 C609 C625 R632	C604-A614 HydrophobicContact CB-CB 3.7Å; C609-A614 HydrophobicContact CB-CB 4.12Å; A614-C625 HydrophobicContact CB-CB 4.38Å; A614-R632 PolarHBondContact O-NH2 3.23Å
615	A	91.8	Very high	89.9	Confident	15 Å²	15	64.9 Å²	64.9	12%	0.124	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.2	179.2	0	0	0	0	0	114.3	P606 M610 G613 W618	P606-A615 VanDerWaalsContact O-CB 3.29Å; P606-A615 WeakPolarHBondContact O-CB 3.49Å; M610-A615 HydrophobicContact CE-CB 3.76Å; M610-A615 HydrophobicContact SD-CB 3.95Å; G613-A615 PolarHBondContact O-N 3.47Å; A615-W618 PolarHBondContact O-NE1 3.27Å
616	D	87.5	Confident	89.7	Confident	68 Å²	68	70 Å²	70	36%	0.364	35%	0.354	S	S	.	.	S	Bend	trans	-101.9	153.9	-163	-55.1	-49.2	0	0	0	112.4	G613 W618 R632	G613-D616 VanDerWaalsContact CA-OD2 3.26Å; G613-D616 WeakPolarHBondContact CA-OD2 3.36Å; G613-D616 PolarHBondContact O-N 3.42Å; G613-D616 VanDerWaalsContact O-N 3.13Å; D616-W618 PolarHBondContact O-N 2.74Å; D616-R632 PolarHBondContact O-NH1 2.96Å; D616-R632 VanDerWaalsContact O-NH1 3.16Å; D616-R632 PolarHBondContact O-NH2 3.46Å
617	H	81.7	Confident	89.8	Confident	147 Å²	147	70 Å²	70	68%	0.681	35%	0.352	S	S	*	.			trans	45.7	68.3	171	-54.2	-70	0	0	0	114.6	D619 S620 R632	H617-D619 VanDerWaalsContact C-N 3.29Å; H617-D619 PolarHBondContact O-N 2.85Å; H617-S620 PolarHBondContact O-N 3.13Å; H617-S620 VanDerWaalsContact O-N 3.13Å; H617-R632 PolarHBondContact O-NH1 3.49Å
618	W	84	Confident	89.8	Confident	148 Å²	148	65.5 Å²	65.5	56%	0.561	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.5	-176.8	-67.8	101.5	0	0	0	114.1	P606 A615 D616 S620	P606-W618 HydrophobicContact CB-CH2 3.52Å; P606-W618 HydrophobicContact CB-CZ2 3.82Å; P606-W618 HydrophobicContact CG-CH2 3.91Å; P606-W618 HydrophobicContact CG-CZ2 4.5Å; A615-W618 PolarHBondContact O-NE1 3.27Å; D616-W618 PolarHBondContact O-N 2.74Å; W618-S620 VanDerWaalsContact C-N 3.31Å; W618-S620 PolarHBondContact O-N 2.96Å
619	D	85.8	Confident	89.9	Confident	168 Å²	168	63.4 Å²	63.4	90%	0.898	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.8	179.3	-43.8	-71.1	0	0	0	113.2	H617	H617-D619 VanDerWaalsContact C-N 3.29Å; H617-D619 PolarHBondContact O-N 2.85Å
620	S	87.5	Confident	89.9	Confident	46 Å²	46	63.4 Å²	63.4	32%	0.322	32%	0.319	S	S	.	.			trans	-87.2	127	-178.7	-176.3	0	0	0	0	111.8	H617 W618 M622	H617-S620 PolarHBondContact O-N 3.13Å; H617-S620 VanDerWaalsContact O-N 3.13Å; W618-S620 VanDerWaalsContact C-N 3.31Å; W618-S620 PolarHBondContact O-N 2.96Å; S620-M622 PolarHBondContact OG-N 3.17Å; S620-M622 PolarHBondContact OG-O 3.16Å
621	K	76.6	Confident	90	Very high	176 Å²	176	59.8 Å²	59.8	77%	0.765	30%	0.3	S	S	*	.	S	Bend	trans	-71.3	-20.7	165.5	-63.2	-176.8	-178.5	178.1	0	112.6	L634	K621-L634 HydrophobicContact CB-CD2 4.05Å; K621-L634 HydrophobicContact CG-CD2 4.03Å
622	M	80.9	Confident	90	Very high	158 Å²	158	58 Å²	58	78%	0.778	29%	0.285	S	S	*	.			trans	-95.4	99.6	175.3	-69.4	-142.6	-69.3	0	0	110.3	S620	S620-M622 PolarHBondContact OG-N 3.17Å; S620-M622 PolarHBondContact OG-O 3.16Å
623	V	88.2	Confident	90	Very high	12 Å²	12	59.3 Å²	59.3	7%	0.073	30%	0.299	C	S	.	.			trans	-111.9	146.2	175.9	-167.7	0	0	0	0	108.9	G613 C625 K626 R632	G613-V623 WeakPolarHBondContact O-CG1 3.25Å; V623-C625 HydrophobicContact CG1-CB 4.18Å; V623-K626 PolarHBondContact O-NZ 2.8Å; V623-R632 VanDerWaalsContact CG2-NH1 3.28Å
624	S	92.1	Very high	90	Very high	54 Å²	54	61.5 Å²	61.5	38%	0.378	31%	0.31	S	S	.	.	S	Bend	trans	-67.9	-38.3	175.1	47.3	0	0	0	0	111.8	T588 Q589 C612 G613	T588-S624 PolarHBondContact OG1-O 2.92Å; Q589-S624 VanDerWaalsContact CA-O 3.29Å; Q589-S624 WeakPolarHBondContact CA-O 3.28Å; Q589-S624 PolarHBondContact N-O 3.38Å; C612-S624 PolarHBondContact O-OG 2.86Å; G613-S624 VanDerWaalsContact CA-OG 3.26Å; G613-S624 WeakPolarHBondContact CA-OG 3.48Å
625	C	94.1	Very high	90.2	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.014	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-68.9	130.2	166.7	-168.5	0	0	0	0	110.6	C612 A614 V623 N627	C612-C625 WeakPolarHBondContact O-CA 3.48Å; C612-C625 VanDerWaalsContact O-CB 3.31Å; C612-C625 WeakPolarHBondContact O-CB 3.02Å; C612-C625 PolarHBondContact O-N 2.85Å; A614-C625 HydrophobicContact CB-CB 4.38Å; V623-C625 HydrophobicContact CG1-CB 4.18Å; C625-N627 PolarHBondContact SG-N 2.97Å
626	K	93	Very high	90.4	Very high	112 Å²	112	67.3 Å²	67.3	49%	0.487	33%	0.333	S	S	.	.	S	Bend	trans	-102.5	-4.6	172	-58.9	-58.1	-175.5	-171.1	0	113.1	Q589 V623 S629	Q589-K626 WeakPolarHBondContact O-CA 3.48Å; Q589-K626 WeakPolarHBondContact O-CB 3.49Å; Q589-K626 PolarHBondContact O-N 3.27Å; V623-K626 PolarHBondContact O-NZ 2.8Å; K626-S629 PolarHBondContact O-OG 2.9Å
627	N	95.6	Very high	90.9	Very high	16 Å²	16	68.2 Å²	68.2	9%	0.086	34%	0.335	C	S	.	.	S	Bend	trans	-104	44.6	-179.3	-168.8	53.1	0	0	0	111	C590 R602 E603 C604 C625	C590-N627 HydrophobicContact CB-CB 3.69Å; C590-N627 WeakPolarHBondContact O-CB 3.3Å; R602-N627 PolarHBondContact O-ND2 2.9Å; E603-N627 CarbonylContact C-O 3.55Å; E603-N627 WeakPolarHBondContact CA-O 3.5Å; E603-N627 WeakPolarHBondContact CB-O 3.41Å; C604-N627 PolarHBondContact N-O 3.07Å; C604-N627 PolarHBondContact SG-ND2 2.96Å; C625-N627 PolarHBondContact SG-N 2.97Å
628	C	95.1	Very high	91.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.304	C	S	.	.			trans	-151.5	33.2	175.9	62.5	0	0	0	0	110.3	E603 Q631 R632	E603-C628 VanDerWaalsContact CD-CA 3.46Å; E603-C628 WeakPolarHBondContact OE1-CA 3.46Å; E603-C628 PolarHBondContact OE1-N 2.88Å; E603-C628 WeakPolarHBondContact OE2-CA 3.28Å; C628-Q631 HydrophobicContact CB-CG 3.98Å; C628-R632 WeakPolarHBondContact O-CB 3.4Å; C628-R632 WeakPolarHBondContact O-CG 3.3Å
629	S	95	Very high	92.3	Very high	17 Å²	17	58 Å²	58	12%	0.119	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-35.7	-171.9	-58.5	0	0	0	0	111.6	E603 K626 G633 L634	E603-S629 PolarHBondContact OE1-N 2.78Å; K626-S629 PolarHBondContact O-OG 2.9Å; S629-G633 PolarHBondContact O-N 3.02Å; S629-G633 VanDerWaalsContact O-N 3.09Å; S629-L634 PolarHBondContact O-N 2.79Å
630	I	95.4	Very high	92.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-53.2	175.8	-58.4	169.6	0	0	0	109.2	E603 R632 G633 F661 E664 V724 V726 R731	E603-I630 PolarHBondContact OE1-N 3.43Å; E603-I630 PolarHBondContact OE2-N 3.44Å; I630-R632 PolarHBondContact O-N 2.84Å; I630-R632 VanDerWaalsContact O-N 3.11Å; I630-G633 PolarHBondContact O-N 2.86Å; I630-F661 HydrophobicContact CD1-CE2 4.41Å; I630-F661 HydrophobicContact CG1-CD2 4.22Å; I630-F661 HydrophobicContact CG1-CE2 3.54Å; I630-F661 HydrophobicContact CG1-CZ 3.86Å; I630-E664 HydrophobicContact CG2-CB 4.4Å; I630-E664 HydrophobicContact CG2-CG 4.11Å; I630-E664 WeakPolarHBondContact CG2-OE2 3.36Å; I630-V724 HydrophobicContact CD1-CB 4.11Å; I630-V724 HydrophobicContact CD1-CG2 4.24Å; I630-V726 HydrophobicContact CB-CG2 4.18Å; I630-V726 HydrophobicContact CD1-CG2 4.19Å; I630-V726 HydrophobicContact CG2-CG2 4.11Å; I630-R731 HydrophobicContact CG2-CB 3.96Å; I630-R731 HydrophobicContact CG2-CG 4.39Å
631	Q	94.7	Very high	93.3	Very high	36 Å²	36	53 Å²	53	17%	0.168	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.6	-178.8	69.1	-177.6	40.9	0	0	114.4	E603 C604 C628 V726 N727	E603-Q631 PolarHBondContact OE2-N 2.82Å; C604-Q631 PolarHBondContact O-OE1 2.99Å; C628-Q631 HydrophobicContact CB-CG 3.98Å; Q631-V726 HydrophobicContact CB-CG1 3.61Å; Q631-N727 PolarHBondContact OE1-ND2 3.1Å
632	R	93.6	Very high	94.2	Very high	40 Å²	40	48 Å²	48	15%	0.151	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.3	176.3	-70.3	-173.7	-179	-136.9	2.8	113.5	A614 D616 H617 V623 C628 I630 L634	A614-R632 PolarHBondContact O-NH2 3.23Å; D616-R632 PolarHBondContact O-NH1 2.96Å; D616-R632 VanDerWaalsContact O-NH1 3.16Å; D616-R632 PolarHBondContact O-NH2 3.46Å; H617-R632 PolarHBondContact O-NH1 3.49Å; V623-R632 VanDerWaalsContact CG2-NH1 3.28Å; C628-R632 WeakPolarHBondContact O-CB 3.4Å; C628-R632 WeakPolarHBondContact O-CG 3.3Å; I630-R632 PolarHBondContact O-N 2.84Å; I630-R632 VanDerWaalsContact O-N 3.11Å; R632-L634 VanDerWaalsContact C-N 3.27Å; R632-L634 HydrophobicContact CB-CD1 4.11Å; R632-L634 HydrophobicContact CB-CD2 4.29Å; R632-L634 HydrophobicContact CB-CG 3.74Å; R632-L634 PolarHBondContact O-N 3.49Å
633	G	92.8	Very high	94.8	Very high	29 Å²	29	41.3 Å²	41.3	30%	0.299	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	31.5	-178.3	0	0	0	0	0	114.4	S629 I630 K635	S629-G633 PolarHBondContact O-N 3.02Å; S629-G633 VanDerWaalsContact O-N 3.09Å; I630-G633 PolarHBondContact O-N 2.86Å; G633-K635 PolarHBondContact O-N 2.93Å
634	L	93.1	Very high	94.9	Very high	46 Å²	46	47.9 Å²	47.9	24%	0.241	26%	0.258	C	S	.	.			trans	-75.3	45.6	-177	-61	179.2	0	0	0	112.9	K621 S629 R632 F661	K621-L634 HydrophobicContact CB-CD2 4.05Å; K621-L634 HydrophobicContact CG-CD2 4.03Å; S629-L634 PolarHBondContact O-N 2.79Å; R632-L634 VanDerWaalsContact C-N 3.27Å; R632-L634 HydrophobicContact CB-CD1 4.11Å; R632-L634 HydrophobicContact CB-CD2 4.29Å; R632-L634 HydrophobicContact CB-CG 3.74Å; R632-L634 PolarHBondContact O-N 3.49Å; L634-F661 WeakPolarHBondContact O-CD1 3.24Å
635	K	95	Very high	94.7	Very high	91 Å²	91	48.5 Å²	48.5	40%	0.396	26%	0.26	S	S	.	.			trans	-70	152.5	177.8	63.6	-179.2	172.4	-71.5	0	112.1	G633 F661 I662	G633-K635 PolarHBondContact O-N 2.93Å; K635-F661 HydrophobicContact CB-CE1 4.34Å; K635-I662 CarbonylContact C-O 3.59Å; K635-I662 VanDerWaalsContact CA-O 3.24Å; K635-I662 WeakPolarHBondContact CA-O 3.22Å; K635-I662 WeakPolarHBondContact CB-O 3.47Å
636	K	96.4	Very high	94.2	Very high	47 Å²	47	51.3 Å²	51.3	20%	0.204	28%	0.283	C	S	.	.			trans	-74.9	162	173.4	-60.2	-70.1	-178.6	163.7	0	110.9	L638 I652 V656 E660 F661 I662	K636-L638 PolarHBondContact O-N 3.4Å; K636-I652 HydrophobicContact CB-CD1 4.43Å; K636-V656 HydrophobicContact CD-CG2 3.9Å; K636-V656 HydrophobicContact CG-CG2 3.95Å; K636-E660 VanDerWaalsContact CE-OE1 3.28Å; K636-E660 WeakPolarHBondContact CE-OE1 3.39Å; K636-E660 VanDerWaalsContact NZ-CD 3.33Å; K636-E660 IonicContact NZ-OE1 3.86Å; K636-E660 PolarHBondContact NZ-OE1 3.03Å; K636-E660 IonicContact NZ-OE2 2.68Å; K636-F661 WeakPolarHBondContact CG-O 3.31Å; K636-I662 HydrophobicContact CB-CG2 4.47Å; K636-I662 PolarHBondContact N-O 3.49Å
637	H	97.4	Very high	94.1	Very high	87 Å²	87	48 Å²	48	40%	0.403	28%	0.281	S	S	.	.			trans	-80.7	115.4	176.6	-165	140.6	0	0	0	109.7	K653	H637-K653 HydrophobicContact CB-CB 3.96Å; H637-K653 HydrophobicContact CB-CD 4.1Å; H637-K653 VanDerWaalsContact O-CB 3.25Å; H637-K653 WeakPolarHBondContact O-CB 3.19Å; H637-K653 PolarHBondContact O-N 3.32Å
638	L	98.1	Very high	94.1	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.7	177.7	-58.3	-179.8	0	0	0	111.9	K636 I652 I662 K707 I708 L746	K636-L638 PolarHBondContact O-N 3.4Å; L638-I652 HydrophobicContact CD2-CG1 4.17Å; L638-I662 HydrophobicContact CD2-CG2 3.92Å; L638-K707 HydrophobicContact CB-CB 4.1Å; L638-K707 HydrophobicContact CB-CD 4.09Å; L638-K707 HydrophobicContact CD1-CB 4.1Å; L638-K707 WeakPolarHBondContact O-CD 3.41Å; L638-K707 PolarHBondContact O-NZ 2.81Å; L638-I708 HydrophobicContact CD1-CB 3.9Å; L638-I708 HydrophobicContact CD1-CD1 3.68Å; L638-I708 HydrophobicContact CD1-CG1 4.35Å; L638-L746 HydrophobicContact CD2-CD1 3.62Å
639	L	98	Very high	94.1	Very high	74 Å²	74	49.2 Å²	49.2	39%	0.387	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	161.1	174	-54.7	177	0	0	0	109.5	T650 F651 K653	L639-T650 VanDerWaalsContact O-CA 3.32Å; L639-T650 WeakPolarHBondContact O-CA 3.33Å; L639-T650 PolarHBondContact O-OG1 2.72Å; L639-F651 HydrophobicContact CB-CB 4.32Å; L639-F651 PolarHBondContact N-O 2.99Å; L639-F651 PolarHBondContact O-N 3.09Å; L639-K653 HydrophobicContact CD1-CB 4.37Å; L639-K653 HydrophobicContact CG-CB 4.26Å
640	L	97.5	Very high	94.3	Very high	73 Å²	73	48.5 Å²	48.5	38%	0.382	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.1	178.1	178.5	68.5	0	0	0	107.5	W648 F710	L640-W648 HydrophobicContact CD1-CB 4.09Å; L640-W648 HydrophobicContact CD1-CD2 4.41Å; L640-W648 HydrophobicContact CD1-CE3 3.95Å; L640-W648 HydrophobicContact CD2-CE3 4.33Å; L640-W648 HydrophobicContact CG-CE3 3.81Å; L640-W648 HydrophobicContact CG-CZ3 4.24Å; L640-F710 HydrophobicContact CD1-CB 4.06Å; L640-F710 HydrophobicContact CD1-CD1 4.15Å; L640-F710 HydrophobicContact CD1-CD2 3.67Å; L640-F710 HydrophobicContact CD1-CE2 4.08Å; L640-F710 HydrophobicContact CD1-CG 3.7Å; L640-F710 HydrophobicContact CD1-CZ 4.48Å; L640-F710 HydrophobicContact CD2-CE2 4.47Å
641	A	96.4	Very high	94.4	Very high	35 Å²	35	49.8 Å²	49.8	29%	0.289	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	167.8	175.2	0	0	0	0	0	108.8	S643 W648 G649 F651	A641-S643 PolarHBondContact O-N 2.76Å; A641-W648 VanDerWaalsContact C-CE3 3.48Å; A641-G649 PolarHBondContact N-O 3.47Å; A641-G649 PolarHBondContact O-N 3.2Å; A641-G649 VanDerWaalsContact O-O 3.04Å; A641-F651 HydrophobicContact CB-CD2 3.98Å; A641-F651 HydrophobicContact CB-CE2 3.68Å; A641-F651 HydrophobicContact CB-CZ 4.4Å
642	P	95.8	Very high	94.6	Very high	72 Å²	72	48 Å²	48	47%	0.468	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	139.4	167.1	-24.7	36	0	0	0	110.4	P131 W648 F651	P131-P642 HydrophobicContact CG-CB 3.96Å; P131-P642 HydrophobicContact CG-CG 4.14Å; P642-W648 HydrophobicContact CG-CZ3 4.39Å; P642-F651 WeakPolarHBondContact O-CZ 3.29Å
643	S	93.9	Very high	94.8	Very high	17 Å²	17	50.3 Å²	50.3	12%	0.119	29%	0.287	C	S	.	.			trans	-74.7	150.8	176.6	179	0	0	0	0	110.6	A641 V645 A646 G647 N712 E745	A641-S643 PolarHBondContact O-N 2.76Å; S643-V645 PolarHBondContact O-N 3.1Å; S643-V645 PolarHBondContact OG-N 2.79Å; S643-A646 VanDerWaalsContact CB-O 3.23Å; S643-A646 WeakPolarHBondContact CB-O 3.44Å; S643-A646 PolarHBondContact OG-N 2.86Å; S643-G647 PolarHBondContact N-O 3.24Å; S643-N712 PolarHBondContact OG-ND2 3.45Å; S643-E745 VanDerWaalsContact CB-OE1 3.29Å; S643-E745 WeakPolarHBondContact CB-OE1 3.48Å; S643-E745 VanDerWaalsContact OG-CD 3.27Å; S643-E745 PolarHBondContact OG-OE1 3.16Å; S643-E745 PolarHBondContact OG-OE2 2.99Å; S643-E745 VanDerWaalsContact OG-OE2 3.08Å
644	D	89.9	Confident	94.9	Very high	149 Å²	149	53.3 Å²	53.3	80%	0.797	29%	0.294	S	S	*	.	S	Bend	trans	-73.4	-12.8	169	-68.3	-36.7	0	0	0	112.3	E745	D644-E745 PolarHBondContact N-OE2 3.03Å; D644-E745 VanDerWaalsContact N-OE2 3.16Å
645	V	86.9	Confident	95.1	Very high	68 Å²	68	55.1 Å²	55.1	41%	0.412	31%	0.308	S	S	.	.	S	Bend	trans	-99.2	-68.2	177.8	-177.2	0	0	0	0	111.3	S643 F747	S643-V645 PolarHBondContact O-N 3.1Å; S643-V645 PolarHBondContact OG-N 2.79Å; V645-F747 HydrophobicContact CG2-CE1 3.82Å; V645-F747 HydrophobicContact CG2-CZ 3.99Å
646	A	84.4	Confident	95.2	Very high	60 Å²	60	51 Å²	51	50%	0.496	29%	0.291	S	S	.	.	S	Bend	trans	-160.1	141.6	-177.8	0	0	0	0	0	112.1	S643 W648	S643-A646 VanDerWaalsContact CB-O 3.23Å; S643-A646 WeakPolarHBondContact CB-O 3.44Å; S643-A646 PolarHBondContact OG-N 2.86Å; A646-W648 PolarHBondContact O-N 3.25Å
647	G	91.3	Very high	95.2	Very high	42 Å²	42	55.9 Å²	55.9	43%	0.433	31%	0.314	S	S	.	.	S	Bend	trans	65.7	-130.6	172.5	0	0	0	0	0	113.8	P131 S643	P131-G647 WeakPolarHBondContact CG-O 3.43Å; S643-G647 PolarHBondContact N-O 3.24Å
648	W	95.3	Very high	95.1	Very high	43 Å²	43	58.1 Å²	58.1	16%	0.163	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.2	178.5	-72	99.3	0	0	0	110.7	I130 P131 F132 L640 A641 P642 A646 F710 N712	I130-W648 HydrophobicContact CB-CZ2 4.16Å; P131-W648 HydrophobicContact CB-CD2 4.4Å; P131-W648 HydrophobicContact CB-CG 4.34Å; P131-W648 HydrophobicContact CG-CD2 4.38Å; P131-W648 HydrophobicContact CG-CZ2 4.4Å; P131-W648 PolarHBondContact O-NE1 3.39Å; F132-W648 PolarHBondContact O-NE1 2.91Å; L640-W648 HydrophobicContact CD1-CB 4.09Å; L640-W648 HydrophobicContact CD1-CD2 4.41Å; L640-W648 HydrophobicContact CD1-CE3 3.95Å; L640-W648 HydrophobicContact CD2-CE3 4.33Å; L640-W648 HydrophobicContact CG-CE3 3.81Å; L640-W648 HydrophobicContact CG-CZ3 4.24Å; A641-W648 VanDerWaalsContact C-CE3 3.48Å; P642-W648 HydrophobicContact CG-CZ3 4.39Å; A646-W648 PolarHBondContact O-N 3.25Å; W648-F710 HydrophobicContact CB-CD1 3.78Å; W648-F710 HydrophobicContact CB-CE1 4.24Å; W648-N712 PolarHBondContact O-ND2 3.33Å; W648-N712 VanDerWaalsContact O-ND2 3.07Å
649	G	96.2	Very high	95	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	157.2	175.3	0	0	0	0	0	112.2	A641 F651 F710 E745	A641-G649 PolarHBondContact N-O 3.47Å; A641-G649 PolarHBondContact O-N 3.2Å; A641-G649 VanDerWaalsContact O-O 3.04Å; G649-F651 WeakPolarHBondContact O-CE2 3.23Å; G649-F710 CarbonylContact C-O 3.46Å; G649-F710 WeakPolarHBondContact CA-O 2.87Å; G649-E745 VanDerWaalsContact CA-OE1 3.3Å; G649-E745 WeakPolarHBondContact CA-OE1 3.41Å
650	T	97.7	Very high	94.8	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.1	171.6	-162.7	0	0	0	0	112.2	L639 I708 F710 A711 L746	L639-T650 VanDerWaalsContact O-CA 3.32Å; L639-T650 WeakPolarHBondContact O-CA 3.33Å; L639-T650 PolarHBondContact O-OG1 2.72Å; T650-I708 HydrophobicContact CG2-CD1 4.05Å; T650-F710 PolarHBondContact N-O 2.88Å; T650-A711 HydrophobicContact CG2-CB 3.7Å; T650-L746 HydrophobicContact CG2-CB 4.1Å; T650-L746 HydrophobicContact CG2-CD1 4.35Å; T650-L746 PolarHBondContact O-N 3.42Å
651	F	98.1	Very high	94.8	Very high	28 Å²	28	58.4 Å²	58.4	12%	0.123	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144	-169.6	-59.3	-104.8	0	0	0	109.8	L639 A641 P642 G649 G743 E744 E745	L639-F651 HydrophobicContact CB-CB 4.32Å; L639-F651 PolarHBondContact N-O 2.99Å; L639-F651 PolarHBondContact O-N 3.09Å; A641-F651 HydrophobicContact CB-CD2 3.98Å; A641-F651 HydrophobicContact CB-CE2 3.68Å; A641-F651 HydrophobicContact CB-CZ 4.4Å; P642-F651 WeakPolarHBondContact O-CZ 3.29Å; G649-F651 WeakPolarHBondContact O-CE2 3.23Å; F651-G743 WeakPolarHBondContact CD1-O 3.38Å; F651-E744 WeakPolarHBondContact CA-O 3.44Å; F651-E745 HydrophobicContact CD1-CB 3.76Å; F651-E745 HydrophobicContact CD1-CG 4.37Å; F651-E745 HydrophobicContact CE1-CB 3.52Å; F651-E745 HydrophobicContact CE1-CG 4.02Å; F651-E745 HydrophobicContact CE2-CG 4.31Å; F651-E745 HydrophobicContact CG-CB 4.46Å; F651-E745 HydrophobicContact CZ-CB 3.99Å; F651-E745 HydrophobicContact CZ-CG 3.97Å
652	I	98	Very high	94.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.5	-174.7	-153.4	162.4	0	0	0	112.3	K636 L638 E654 V656 I662 I740 L741 G743 E744 L746	K636-I652 HydrophobicContact CB-CD1 4.43Å; L638-I652 HydrophobicContact CD2-CG1 4.17Å; I652-E654 WeakPolarHBondContact CG1-O 3.13Å; I652-V656 HydrophobicContact CD1-CB 4.06Å; I652-V656 HydrophobicContact CD1-CG2 3.39Å; I652-V656 HydrophobicContact CG1-CG2 4.37Å; I652-I662 HydrophobicContact CD1-CD1 4.49Å; I652-I662 HydrophobicContact CD1-CG1 4.39Å; I652-I662 HydrophobicContact CD1-CG2 4.14Å; I652-I740 HydrophobicContact CG2-CG2 3.81Å; I652-L741 VanDerWaalsContact CG2-O 3.23Å; I652-L741 WeakPolarHBondContact CG2-O 3.39Å; I652-G743 PolarHBondContact O-N 2.85Å; I652-E744 PolarHBondContact N-O 3.13Å; I652-L746 HydrophobicContact CB-CD1 4.32Å; I652-L746 HydrophobicContact CB-CD2 4.1Å; I652-L746 HydrophobicContact CB-CG 4.38Å; I652-L746 HydrophobicContact CD1-CD1 4.34Å; I652-L746 HydrophobicContact CD1-CD2 4.37Å; I652-L746 HydrophobicContact CG2-CD2 4.39Å
653	K	97.6	Very high	94.9	Very high	88 Å²	88	53.4 Å²	53.4	38%	0.383	29%	0.287	S	S	.	.	S	Bend	trans	-74.5	-27.9	-176.8	-171.5	-177.1	175	-173.8	0	113.3	H637 L639 Q742	H637-K653 HydrophobicContact CB-CB 3.96Å; H637-K653 HydrophobicContact CB-CD 4.1Å; H637-K653 VanDerWaalsContact O-CB 3.25Å; H637-K653 WeakPolarHBondContact O-CB 3.19Å; H637-K653 PolarHBondContact O-N 3.32Å; L639-K653 HydrophobicContact CD1-CB 4.37Å; L639-K653 HydrophobicContact CG-CB 4.26Å; K653-Q742 WeakPolarHBondContact O-CG 3.37Å; K653-Q742 PolarHBondContact O-NE2 3.38Å
654	E	95.8	Very high	95.1	Very high	92 Å²	92	53 Å²	53	43%	0.43	28%	0.283	S	S	.	.	S	Bend	trans	-132.1	145.3	-172.1	-71.1	166.6	-161.7	0	0	108.9	I652	I652-E654 WeakPolarHBondContact CG1-O 3.13Å
655	P	97.1	Very high	95.5	Very high	84 Å²	84	46.1 Å²	46.1	55%	0.545	25%	0.246	S	C	.	.			trans	-65.7	147.4	-180	28.9	-35.1	0	0	0	111.5	I740	P655-I740 CarbonylContact C-O 3.57Å; P655-I740 VanDerWaalsContact CA-O 3.26Å; P655-I740 WeakPolarHBondContact CA-O 3.41Å
656	V	96.9	Very high	96	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.024	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-133.3	138.2	-173.5	171.7	0	0	0	0	110.9	K636 I652 E660 I662 A736 A739 I740	K636-V656 HydrophobicContact CD-CG2 3.9Å; K636-V656 HydrophobicContact CG-CG2 3.95Å; I652-V656 HydrophobicContact CD1-CB 4.06Å; I652-V656 HydrophobicContact CD1-CG2 3.39Å; I652-V656 HydrophobicContact CG1-CG2 4.37Å; V656-E660 HydrophobicContact CG1-CB 3.72Å; V656-E660 HydrophobicContact CG1-CG 4.04Å; V656-I662 HydrophobicContact CG1-CG1 4.21Å; V656-A736 HydrophobicContact CG1-CB 3.82Å; V656-A739 WeakPolarHBondContact O-CA 3.36Å; V656-I740 PolarHBondContact N-O 3.12Å; V656-I740 PolarHBondContact O-N 3.38Å
657	Q	96.6	Very high	96.6	Very high	149 Å²	149	40 Å²	40	70%	0.696	20%	0.203	S	C	*	.			trans	-84.2	158.3	-178.7	-62.9	-172.1	0.3	0	0	112.3	N659 E660 A736	Q657-N659 PolarHBondContact O-N 3.38Å; Q657-E660 HydrophobicContact CB-CB 4.46Å; Q657-E660 PolarHBondContact N-OE2 2.98Å; Q657-E660 WeakPolarHBondContact O-CB 3.49Å; Q657-E660 PolarHBondContact O-N 3.19Å; Q657-A736 WeakPolarHBondContact O-CB 3.34Å
658	K	96.6	Very high	96.9	Very high	134 Å²	134	38.2 Å²	38.2	58%	0.583	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	134.9	175.9	179.4	168.7	-178.3	168.9	0	111.8	E660 K737	K658-E660 PolarHBondContact O-N 2.92Å; K658-K737 WeakPolarHBondContact CD-O 3.44Å; K658-K737 WeakPolarHBondContact CE-O 3.22Å; K658-K737 WeakPolarHBondContact CG-O 3.45Å
659	N	94.6	Very high	97	Very high	82 Å²	82	36.7 Å²	36.7	44%	0.439	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	10.2	-174.5	-47.4	-38.1	0	0	0	115.2	Q657 A736	Q657-N659 PolarHBondContact O-N 3.38Å; N659-A736 WeakPolarHBondContact CA-O 3.25Å; N659-A736 PolarHBondContact N-O 3.18Å
660	E	94.8	Very high	97	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	18%	0.178	S	C	.	.			trans	-77.2	147.1	172.9	-174.7	175	-164.4	0	0	110.8	K636 V656 Q657 K658 F735 A736	K636-E660 VanDerWaalsContact CE-OE1 3.28Å; K636-E660 WeakPolarHBondContact CE-OE1 3.39Å; K636-E660 VanDerWaalsContact NZ-CD 3.33Å; K636-E660 IonicContact NZ-OE1 3.86Å; K636-E660 PolarHBondContact NZ-OE1 3.03Å; K636-E660 IonicContact NZ-OE2 2.68Å; V656-E660 HydrophobicContact CG1-CB 3.72Å; V656-E660 HydrophobicContact CG1-CG 4.04Å; Q657-E660 HydrophobicContact CB-CB 4.46Å; Q657-E660 PolarHBondContact N-OE2 2.98Å; Q657-E660 WeakPolarHBondContact O-CB 3.49Å; Q657-E660 PolarHBondContact O-N 3.19Å; K658-E660 PolarHBondContact O-N 2.92Å; E660-F735 VanDerWaalsContact O-CA 3.31Å; E660-F735 WeakPolarHBondContact O-CA 3.4Å; E660-A736 PolarHBondContact O-N 2.95Å
661	F	96.4	Very high	96.9	Very high	11 Å²	11	37.5 Å²	37.5	5%	0.048	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.7	-179.6	175.8	-110.7	0	0	0	111.5	I630 L634 K635 K636 S663 E664 F735	I630-F661 HydrophobicContact CD1-CE2 4.41Å; I630-F661 HydrophobicContact CG1-CD2 4.22Å; I630-F661 HydrophobicContact CG1-CE2 3.54Å; I630-F661 HydrophobicContact CG1-CZ 3.86Å; L634-F661 WeakPolarHBondContact O-CD1 3.24Å; K635-F661 HydrophobicContact CB-CE1 4.34Å; K636-F661 WeakPolarHBondContact CG-O 3.31Å; F661-S663 VanDerWaalsContact CE2-O 3.31Å; F661-S663 WeakPolarHBondContact CE2-O 3.32Å; F661-E664 HydrophobicContact CZ-CB 4.41Å; F661-E664 VanDerWaalsContact CZ-N 3.27Å; F661-F735 HydrophobicContact CB-CD1 4.03Å; F661-F735 HydrophobicContact CB-CE1 3.86Å; F661-F735 HydrophobicContact CD2-CD1 4.34Å; F661-F735 AromaticContact CD2-CE1 3.87Å; F661-F735 HydrophobicContact CD2-CE1 3.87Å; F661-F735 HydrophobicContact CD2-CZ 4.01Å; F661-F735 HydrophobicContact CG-CE1 4.34Å
662	I	97.4	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-59.8	178.7	-59.1	174.7	0	0	0	110.1	K635 K636 L638 I652 V656 I708 C719 I734 A736 I740 L746	K635-I662 CarbonylContact C-O 3.59Å; K635-I662 VanDerWaalsContact CA-O 3.24Å; K635-I662 WeakPolarHBondContact CA-O 3.22Å; K635-I662 WeakPolarHBondContact CB-O 3.47Å; K636-I662 HydrophobicContact CB-CG2 4.47Å; K636-I662 PolarHBondContact N-O 3.49Å; L638-I662 HydrophobicContact CD2-CG2 3.92Å; I652-I662 HydrophobicContact CD1-CD1 4.49Å; I652-I662 HydrophobicContact CD1-CG1 4.39Å; I652-I662 HydrophobicContact CD1-CG2 4.14Å; V656-I662 HydrophobicContact CG1-CG1 4.21Å; I662-I708 HydrophobicContact CG2-CD1 4.21Å; I662-C719 WeakPolarHBondContact CD1-SG 3.48Å; I662-I734 PolarHBondContact N-O 3.35Å; I662-A736 HydrophobicContact CD1-CB 4.13Å; I662-I740 HydrophobicContact CD1-CD1 4.1Å; I662-L746 HydrophobicContact CD1-CD1 4.39Å; I662-L746 HydrophobicContact CD1-CD2 4.5Å; I662-L746 HydrophobicContact CG2-CD1 3.81Å
663	S	97.9	Very high	96.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	158	178.5	-171.6	0	0	0	0	110.9	F661 I734	F661-S663 VanDerWaalsContact CE2-O 3.31Å; F661-S663 WeakPolarHBondContact CE2-O 3.32Å; S663-I734 PolarHBondContact N-O 3.14Å; S663-I734 WeakPolarHBondContact O-CB 3.39Å; S663-I734 PolarHBondContact O-N 3.45Å
664	E	97.8	Very high	96	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.9	158.5	-171.9	177.1	169	0	0	107.8	I630 F661 N706 I708 R731 I732	I630-E664 HydrophobicContact CG2-CB 4.4Å; I630-E664 HydrophobicContact CG2-CG 4.11Å; I630-E664 WeakPolarHBondContact CG2-OE2 3.36Å; F661-E664 HydrophobicContact CZ-CB 4.41Å; F661-E664 VanDerWaalsContact CZ-N 3.27Å; E664-N706 PolarHBondContact O-ND2 3.11Å; E664-I708 VanDerWaalsContact O-CG2 3.27Å; E664-I708 WeakPolarHBondContact O-CG2 3.1Å; E664-R731 VanDerWaalsContact CD-NH1 3.3Å; E664-R731 WeakPolarHBondContact OE1-CD 3.46Å; E664-R731 WeakPolarHBondContact OE1-CG 3.39Å; E664-R731 IonicContact OE1-CZ 2.79Å; E664-R731 IonicContact OE1-NE 2.84Å; E664-R731 PolarHBondContact OE1-NE 3.15Å; E664-R731 IonicContact OE1-NH1 3.81Å; E664-R731 PolarHBondContact OE1-NH1 3.26Å; E664-R731 IonicContact OE2-CZ 3.23Å; E664-R731 IonicContact OE2-NH1 2.88Å; E664-R731 PolarHBondContact OE2-NH1 2.63Å; E664-I732 CarbonylContact C-O 3.59Å; E664-I732 VanDerWaalsContact CA-O 3.29Å; E664-I732 WeakPolarHBondContact CA-O 3.39Å
665	Y	97.6	Very high	95.8	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	104.4	166.8	-170	-79.4	0	0	0	106.9	F689 F691 V699 A701 I708 I732 F748	Y665-F689 PolarHBondContact OH-O 3.35Å; Y665-F691 HydrophobicContact CD1-CB 4.38Å; Y665-F691 HydrophobicContact CE1-CB 4.12Å; Y665-V699 HydrophobicContact CD1-CG1 4.18Å; Y665-V699 HydrophobicContact CE1-CG1 4.45Å; Y665-A701 HydrophobicContact CE1-CB 3.64Å; Y665-I708 HydrophobicContact CD2-CG2 3.99Å; Y665-I708 HydrophobicContact CG-CG2 4.38Å; Y665-I732 HydrophobicContact CD1-CD1 4.38Å; Y665-I732 PolarHBondContact N-O 3Å; Y665-F748 HydrophobicContact CD2-CE1 4.5Å; Y665-F748 HydrophobicContact CD2-CZ 4.31Å; Y665-F748 HydrophobicContact CE2-CE1 4.3Å; Y665-F748 AromaticContact CE2-CZ 3.97Å; Y665-F748 HydrophobicContact CE2-CZ 3.97Å
666	C	97.9	Very high	95.4	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.179	C	C	.	.			trans	-102.5	143	-175	-55.8	0	0	0	0	110.9	L139 N142 G705 N706	L139-C666 HydrophobicContact CB-CB 4.14Å; N142-C666 VanDerWaalsContact OD1-CA 3.26Å; N142-C666 WeakPolarHBondContact OD1-CA 3.24Å; C666-G705 WeakPolarHBondContact O-CA 3.38Å; C666-N706 HydrophobicContact CB-CB 4.27Å; C666-N706 PolarHBondContact N-OD1 3Å; C666-N706 PolarHBondContact SG-ND2 3.18Å
667	G	97.5	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	-173.3	176.3	0	0	0	0	0	113.6	L139 N142 F143 D700 K704	L139-G667 WeakPolarHBondContact CD1-O 3.41Å; N142-G667 VanDerWaalsContact CA-O 3.26Å; N142-G667 WeakPolarHBondContact CA-O 3.46Å; N142-G667 PolarHBondContact OD1-N 3.41Å; N142-G667 VanDerWaalsContact OD1-N 3.07Å; F143-G667 PolarHBondContact N-O 2.88Å; G667-D700 CarbonylContact C-O 3.55Å; G667-D700 WeakPolarHBondContact CA-O 3.5Å; G667-K704 WeakPolarHBondContact CA-O 3.45Å
668	E	97.6	Very high	94.7	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.1	160.7	-57.5	-165.9	140.5	0	0	109.1	F143 V145 I670 R678 V699 D700 K704	F143-E668 CarbonylContact O-C 3.6Å; F143-E668 VanDerWaalsContact O-CA 3.26Å; F143-E668 WeakPolarHBondContact O-CA 3.33Å; V145-E668 HydrophobicContact CG2-CB 3.91Å; V145-E668 HydrophobicContact CG2-CG 4.02Å; E668-I670 HydrophobicContact CB-CG2 4.35Å; E668-R678 IonicContact OE2-CZ 2.75Å; E668-R678 IonicContact OE2-NH1 2.7Å; E668-R678 PolarHBondContact OE2-NH1 3.27Å; E668-R678 IonicContact OE2-NH2 3.47Å; E668-V699 CarbonylContact O-C 3.57Å; E668-V699 VanDerWaalsContact O-CA 3.28Å; E668-V699 WeakPolarHBondContact O-CA 3.49Å; E668-D700 HydrophobicContact CB-CB 4.44Å; E668-D700 PolarHBondContact N-O 3.34Å; E668-D700 PolarHBondContact O-N 3.34Å; E668-K704 HydrophobicContact CG-CB 3.89Å; E668-K704 HydrophobicContact CG-CD 4.19Å; E668-K704 HydrophobicContact CG-CG 3.91Å; E668-K704 WeakPolarHBondContact OE1-CE 3.42Å; E668-K704 WeakPolarHBondContact OE1-CG 3.33Å; E668-K704 IonicContact OE1-NZ 2.75Å; E668-K704 PolarHBondContact OE1-NZ 3.45Å
669	L	96.6	Very high	94.2	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.058	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.2	176.1	-174.6	68.8	0	0	0	106.8	N142 F143 M144 V145 L346 L693 F697 V698 V699	N142-L669 HydrophobicContact CB-CB 4.45Å; F143-L669 PolarHBondContact O-N 3.42Å; M144-L669 WeakPolarHBondContact CA-O 3.31Å; M144-L669 HydrophobicContact CE-CD2 3.51Å; M144-L669 HydrophobicContact CE-CG 4.07Å; M144-L669 HydrophobicContact SD-CB 4.17Å; M144-L669 HydrophobicContact SD-CD2 4.05Å; M144-L669 HydrophobicContact SD-CG 4Å; V145-L669 PolarHBondContact N-O 3.03Å; L346-L669 HydrophobicContact CD1-CD2 4.03Å; L669-L693 HydrophobicContact CD1-CD2 3.52Å; L669-F697 HydrophobicContact CD1-CB 3.6Å; L669-F697 HydrophobicContact CD1-CD1 4.48Å; L669-F697 HydrophobicContact CD1-CG 4.19Å; L669-F697 HydrophobicContact CG-CB 4.09Å; L669-F697 HydrophobicContact CG-CD1 4.03Å; L669-F697 HydrophobicContact CG-CG 4.17Å; L669-V698 WeakPolarHBondContact CA-O 3.38Å; L669-V699 HydrophobicContact CD1-CG2 3.94Å
670	I	95.9	Very high	93.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.7	-170.9	58.5	175.6	0	0	0	110.6	V145 E668 E674 A675 L690 F697 V698 D700	V145-I670 HydrophobicContact CB-CG2 4.14Å; E668-I670 HydrophobicContact CB-CG2 4.35Å; I670-E674 HydrophobicContact CB-CB 4.14Å; I670-E674 HydrophobicContact CB-CG 3.81Å; I670-E674 HydrophobicContact CD1-CG 4.09Å; I670-E674 HydrophobicContact CG1-CG 4.48Å; I670-E674 HydrophobicContact CG2-CG 3.98Å; I670-A675 HydrophobicContact CD1-CB 3.82Å; I670-A675 HydrophobicContact CG1-CB 4.26Å; I670-L690 HydrophobicContact CD1-CD2 4.14Å; I670-F697 CarbonylContact O-C 3.52Å; I670-F697 VanDerWaalsContact O-CA 3.22Å; I670-F697 WeakPolarHBondContact O-CA 3.42Å; I670-F697 WeakPolarHBondContact O-CD1 3.36Å; I670-V698 HydrophobicContact CG1-CB 4.17Å; I670-V698 PolarHBondContact N-O 2.89Å; I670-V698 PolarHBondContact O-N 3.4Å; I670-D700 HydrophobicContact CD1-CB 3.8Å; I670-D700 HydrophobicContact CG1-CB 4.38Å
671	S	95.6	Very high	93.2	Very high	18 Å²	18	21.2 Å²	21.2	13%	0.126	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	168.7	172.5	78.7	0	0	0	0	111.7	D147 D673 E674 A675	D147-S671 VanDerWaalsContact CG-OG 3.22Å; D147-S671 WeakPolarHBondContact OD1-CB 3.02Å; D147-S671 PolarHBondContact OD1-OG 2.97Å; D147-S671 VanDerWaalsContact OD1-OG 3.14Å; D147-S671 PolarHBondContact OD2-OG 2.98Å; S671-D673 PolarHBondContact OG-N 2.9Å; S671-E674 WeakPolarHBondContact OG-CB 3.27Å; S671-E674 PolarHBondContact OG-N 2.84Å; S671-A675 WeakPolarHBondContact O-CB 3.44Å; S671-A675 PolarHBondContact O-N 2.67Å; S671-A675 VanDerWaalsContact O-N 3.1Å
672	Q	92.5	Very high	92.8	Very high	46 Å²	46	21.8 Å²	21.8	22%	0.215	11%	0.11	C	C	.	.	H	α-helix	trans	-64.9	-42.5	168.9	-61	-68.4	-18.7	0	0	111	E674 A675 D676 N692 N694 N695	Q672-E674 VanDerWaalsContact C-N 3.31Å; Q672-E674 PolarHBondContact O-N 3.3Å; Q672-A675 CarbonylContact O-C 3.6Å; Q672-A675 WeakPolarHBondContact O-CA 3.48Å; Q672-A675 WeakPolarHBondContact O-CB 3.35Å; Q672-A675 PolarHBondContact O-N 2.82Å; Q672-D676 PolarHBondContact O-N 3.48Å; Q672-N692 PolarHBondContact NE2-OD1 3.33Å; Q672-N694 PolarHBondContact NE2-O 3.43Å; Q672-N695 WeakPolarHBondContact CG-O 3.41Å; Q672-N695 PolarHBondContact NE2-O 2.93Å
673	D	90.9	Very high	92	Very high	111 Å²	111	25 Å²	25	59%	0.594	13%	0.127	S	C	*	.	H	α-helix	trans	-63.3	-35.1	-178.4	-57	-26	0	0	0	112.5	S671 R677	S671-D673 PolarHBondContact OG-N 2.9Å; D673-R677 VanDerWaalsContact C-NH2 3.26Å; D673-R677 WeakPolarHBondContact O-CB 3.32Å; D673-R677 PolarHBondContact O-N 2.82Å; D673-R677 VanDerWaalsContact O-N 3.15Å; D673-R677 PolarHBondContact O-NE 3.29Å; D673-R677 PolarHBondContact O-NH2 3.43Å
674	E	91.3	Very high	91.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-73.2	-36.7	173.4	177.2	68.8	-161	0	0	111	D147 E148 I670 S671 Q672 R677 R678	D147-E674 WeakPolarHBondContact CA-OE2 3.28Å; D147-E674 HydrophobicContact CB-CB 4.5Å; E148-E674 PolarHBondContact N-OE2 2.73Å; I670-E674 HydrophobicContact CB-CB 4.14Å; I670-E674 HydrophobicContact CB-CG 3.81Å; I670-E674 HydrophobicContact CD1-CG 4.09Å; I670-E674 HydrophobicContact CG1-CG 4.48Å; I670-E674 HydrophobicContact CG2-CG 3.98Å; S671-E674 WeakPolarHBondContact OG-CB 3.27Å; S671-E674 PolarHBondContact OG-N 2.84Å; Q672-E674 VanDerWaalsContact C-N 3.31Å; Q672-E674 PolarHBondContact O-N 3.3Å; E674-R677 VanDerWaalsContact N-NH2 3.15Å; E674-R677 PolarHBondContact O-N 3.46Å; E674-R677 IonicContact OE2-CZ 3.78Å; E674-R677 IonicContact OE2-NH1 3.23Å; E674-R677 PolarHBondContact OE2-NH1 2.92Å; E674-R677 IonicContact OE2-NH2 2.61Å; E674-R678 WeakPolarHBondContact O-CB 3.42Å; E674-R678 WeakPolarHBondContact O-CG 3.4Å; E674-R678 PolarHBondContact O-N 3.34Å; E674-R678 IonicContact OE1-CZ 2.99Å; E674-R678 VanDerWaalsContact OE1-CZ 3.23Å; E674-R678 IonicContact OE1-NE 3.7Å; E674-R678 PolarHBondContact OE1-NE 3.46Å; E674-R678 IonicContact OE1-NH2 3.43Å; E674-R678 PolarHBondContact OE1-NH2 2.86Å
675	A	91.9	Very high	90.1	Very high	4 Å²	4	32 Å²	32	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-38.7	175.1	0	0	0	0	0	112.1	I670 S671 Q672 R678 G679 L690 V698	I670-A675 HydrophobicContact CD1-CB 3.82Å; I670-A675 HydrophobicContact CG1-CB 4.26Å; S671-A675 WeakPolarHBondContact O-CB 3.44Å; S671-A675 PolarHBondContact O-N 2.67Å; S671-A675 VanDerWaalsContact O-N 3.1Å; Q672-A675 CarbonylContact O-C 3.6Å; Q672-A675 WeakPolarHBondContact O-CA 3.48Å; Q672-A675 WeakPolarHBondContact O-CB 3.35Å; Q672-A675 PolarHBondContact O-N 2.82Å; A675-R678 PolarHBondContact O-N 2.92Å; A675-G679 WeakPolarHBondContact O-CA 3.42Å; A675-G679 PolarHBondContact O-N 3.44Å; A675-L690 HydrophobicContact CB-CD1 4.45Å; A675-L690 WeakPolarHBondContact O-CD1 3.11Å; A675-V698 HydrophobicContact CB-CB 3.78Å; A675-V698 HydrophobicContact CB-CG1 4.03Å; A675-V698 HydrophobicContact CB-CG2 3.64Å
676	D	89.6	Confident	89.2	Confident	98 Å²	98	37.1 Å²	37.1	52%	0.524	18%	0.181	S	C	.	.	H	α-helix	trans	-71.3	-37.9	176.3	-71.3	-16.7	0	0	0	112	Q672 G679 R680	Q672-D676 PolarHBondContact O-N 3.48Å; D676-G679 PolarHBondContact O-N 2.94Å; D676-R680 PolarHBondContact O-N 3.33Å; D676-R680 PolarHBondContact O-NE 3.36Å
677	R	87.4	Confident	88.4	Confident	27 Å²	27	39.5 Å²	39.5	10%	0.102	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-49.6	169.6	-89.8	175.1	-81.3	138.4	2.6	111.8	D147 E148 N175 Y176 D673 E674	D147-R677 IonicContact OD2-CZ 2.76Å; D147-R677 IonicContact OD2-NH2 3.54Å; D147-R677 PolarHBondContact OD2-NH2 3.46Å; E148-R677 PolarHBondContact O-NH1 2.91Å; N175-R677 HydrophobicContact CB-CG 4.26Å; N175-R677 WeakPolarHBondContact O-CD 3.32Å; Y176-R677 HydrophobicContact CE2-CB 4.49Å; Y176-R677 HydrophobicContact CE2-CG 4.21Å; D673-R677 VanDerWaalsContact C-NH2 3.26Å; D673-R677 WeakPolarHBondContact O-CB 3.32Å; D673-R677 PolarHBondContact O-N 2.82Å; D673-R677 VanDerWaalsContact O-N 3.15Å; D673-R677 PolarHBondContact O-NE 3.29Å; D673-R677 PolarHBondContact O-NH2 3.43Å; E674-R677 VanDerWaalsContact N-NH2 3.15Å; E674-R677 PolarHBondContact O-N 3.46Å; E674-R677 IonicContact OE2-CZ 3.78Å; E674-R677 IonicContact OE2-NH1 3.23Å; E674-R677 PolarHBondContact OE2-NH1 2.92Å; E674-R677 IonicContact OE2-NH2 2.61Å
678	R	90.3	Very high	87.9	Confident	5 Å²	5	40.7 Å²	40.7	2%	0.019	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-37.6	176	-71.1	179.9	-171.4	-158.9	6.2	113	E148 E668 E674 A675 R680 I681 Y682 D700	E148-R678 IonicContact OE1-NH2 2.98Å; E668-R678 IonicContact OE2-CZ 2.75Å; E668-R678 IonicContact OE2-NH1 2.7Å; E668-R678 PolarHBondContact OE2-NH1 3.27Å; E668-R678 IonicContact OE2-NH2 3.47Å; E674-R678 WeakPolarHBondContact O-CB 3.42Å; E674-R678 WeakPolarHBondContact O-CG 3.4Å; E674-R678 PolarHBondContact O-N 3.34Å; E674-R678 IonicContact OE1-CZ 2.99Å; E674-R678 VanDerWaalsContact OE1-CZ 3.23Å; E674-R678 IonicContact OE1-NE 3.7Å; E674-R678 PolarHBondContact OE1-NE 3.46Å; E674-R678 IonicContact OE1-NH2 3.43Å; E674-R678 PolarHBondContact OE1-NH2 2.86Å; A675-R678 PolarHBondContact O-N 2.92Å; R678-R680 PolarHBondContact O-N 3.32Å; R678-I681 WeakPolarHBondContact O-CB 3.2Å; R678-I681 PolarHBondContact O-N 2.79Å; R678-I681 VanDerWaalsContact O-N 3.11Å; R678-Y682 HydrophobicContact CB-CD2 4.3Å; R678-Y682 HydrophobicContact CB-CE2 3.75Å; R678-Y682 VanDerWaalsContact O-CG 3.29Å; R678-Y682 PolarHBondContact O-N 3.16Å; R678-D700 IonicContact CZ-OD2 2.74Å; R678-D700 IonicContact NH1-OD2 2.96Å; R678-D700 PolarHBondContact NH1-OD2 2.89Å
679	G	87.6	Confident	87.6	Confident	9 Å²	9	42.3 Å²	42.3	9%	0.093	21%	0.213	C	C	.	.	H	α-helix	trans	-55.4	-47	-176.5	0	0	0	0	0	112.4	A675 D676 I681 Y682 D683	A675-G679 WeakPolarHBondContact O-CA 3.42Å; A675-G679 PolarHBondContact O-N 3.44Å; D676-G679 PolarHBondContact O-N 2.94Å; G679-I681 VanDerWaalsContact C-N 3.3Å; G679-I681 PolarHBondContact O-N 3.33Å; G679-Y682 CarbonylContact O-C 3.55Å; G679-Y682 WeakPolarHBondContact O-CA 2.93Å; G679-Y682 WeakPolarHBondContact O-CB 3.07Å; G679-Y682 PolarHBondContact O-N 2.97Å; G679-D683 PolarHBondContact O-N 3.49Å
680	R	83.7	Confident	87.4	Confident	63 Å²	63	44.1 Å²	44.1	24%	0.238	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-38.6	176.4	-81.3	171.9	-77.3	-153.5	1.5	113.9	F168 E171 N175 D676 R678 K684	F168-R680 HydrophobicContact CE2-CB 4.39Å; E171-R680 WeakPolarHBondContact OE1-CD 2.93Å; E171-R680 IonicContact OE1-CZ 3.59Å; E171-R680 IonicContact OE1-NE 2.72Å; E171-R680 IonicContact OE1-NH1 3.78Å; E171-R680 PolarHBondContact OE1-NH1 2.81Å; N175-R680 VanDerWaalsContact ND2-CZ 3.3Å; N175-R680 PolarHBondContact ND2-NH1 3.37Å; N175-R680 PolarHBondContact OD1-NH1 3.05Å; N175-R680 PolarHBondContact OD1-NH2 3.44Å; D676-R680 PolarHBondContact O-N 3.33Å; D676-R680 PolarHBondContact O-NE 3.36Å; R678-R680 PolarHBondContact O-N 3.32Å; R680-K684 PolarHBondContact O-N 2.9Å
681	I	84.1	Confident	87.3	Confident	23 Å²	23	46.1 Å²	46.1	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-42.3	174.5	-56.1	174.9	0	0	0	110	P155 L172 R678 G679 K684 Y685	P155-I681 HydrophobicContact CG-CD1 4.27Å; P155-I681 HydrophobicContact CG-CG2 4.09Å; L172-I681 HydrophobicContact CD1-CD1 4.06Å; L172-I681 HydrophobicContact CD1-CG1 3.8Å; R678-I681 WeakPolarHBondContact O-CB 3.2Å; R678-I681 PolarHBondContact O-N 2.79Å; R678-I681 VanDerWaalsContact O-N 3.11Å; G679-I681 VanDerWaalsContact C-N 3.3Å; G679-I681 PolarHBondContact O-N 3.33Å; I681-K684 PolarHBondContact O-N 2.65Å; I681-Y685 HydrophobicContact CG2-CD2 3.81Å; I681-Y685 HydrophobicContact CG2-CE2 3.6Å; I681-Y685 WeakPolarHBondContact O-CD2 3.47Å; I681-Y685 PolarHBondContact O-N 3.18Å; I681-Y685 VanDerWaalsContact O-N 3.17Å
682	Y	86.8	Confident	87.1	Confident	23 Å²	23	49.8 Å²	49.8	9%	0.09	25%	0.249	C	C	.	.	H	α-helix	trans	-69.9	-33.6	-178.7	-62	-12.9	0	0	0	113.5	R678 G679 Y685 M686 S687 L690 D700 T702	R678-Y682 HydrophobicContact CB-CD2 4.3Å; R678-Y682 HydrophobicContact CB-CE2 3.75Å; R678-Y682 VanDerWaalsContact O-CG 3.29Å; R678-Y682 PolarHBondContact O-N 3.16Å; G679-Y682 CarbonylContact O-C 3.55Å; G679-Y682 WeakPolarHBondContact O-CA 2.93Å; G679-Y682 WeakPolarHBondContact O-CB 3.07Å; G679-Y682 PolarHBondContact O-N 2.97Å; Y682-Y685 CarbonylContact O-C 3.53Å; Y682-Y685 PolarHBondContact O-N 3.03Å; Y682-M686 PolarHBondContact O-N 2.83Å; Y682-S687 WeakPolarHBondContact CB-O 3.48Å; Y682-S687 PolarHBondContact O-N 3.28Å; Y682-L690 HydrophobicContact CD2-CD1 4.07Å; Y682-L690 HydrophobicContact CD2-CD2 4.42Å; Y682-L690 HydrophobicContact CD2-CG 4Å; Y682-L690 HydrophobicContact CE2-CD1 4.43Å; Y682-L690 HydrophobicContact CE2-CD2 4.04Å; Y682-L690 HydrophobicContact CE2-CG 4.13Å; Y682-D700 PolarHBondContact OH-OD2 3.42Å; Y682-T702 HydrophobicContact CE1-CG2 3.99Å; Y682-T702 HydrophobicContact CE2-CG2 4.44Å; Y682-T702 WeakPolarHBondContact CE2-OG1 3.23Å
683	D	82.4	Confident	87.1	Confident	68 Å²	68	48.1 Å²	48.1	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-42.2	172.7	-75.3	-37.9	0	0	0	111.3	G679 Y685 M686 Y760	G679-D683 PolarHBondContact O-N 3.49Å; D683-Y685 VanDerWaalsContact C-N 3.33Å; D683-Y685 PolarHBondContact O-N 3.4Å; D683-M686 WeakPolarHBondContact O-CE 3.37Å; D683-M686 PolarHBondContact O-N 3.45Å; D683-M686 VanDerWaalsContact O-N 3.09Å; D683-Y760 WeakPolarHBondContact CA-OH 3.5Å; D683-Y760 PolarHBondContact OD1-OH 3.15Å
684	K	78.5	Confident	87.1	Confident	68 Å²	68	43.1 Å²	43.1	30%	0.296	22%	0.215	S	C	.	.	H	α-helix	trans	-66.8	-33.7	175.7	-163.6	68.1	171.4	-170	0	112.4	M157 D165 F168 R680 I681 M686	M157-K684 HydrophobicContact SD-CB 4.42Å; M157-K684 HydrophobicContact SD-CG 3.6Å; M157-K684 VanDerWaalsContact SD-CG 3.6Å; D165-K684 IonicContact OD2-NZ 2.69Å; D165-K684 PolarHBondContact OD2-NZ 2.95Å; F168-K684 HydrophobicContact CE1-CG 4.49Å; F168-K684 HydrophobicContact CE2-CB 4.35Å; F168-K684 HydrophobicContact CZ-CB 4.12Å; F168-K684 HydrophobicContact CZ-CG 4.36Å; R680-K684 PolarHBondContact O-N 2.9Å; I681-K684 PolarHBondContact O-N 2.65Å; K684-M686 VanDerWaalsContact C-N 3.29Å
685	Y	77	Confident	87	Confident	87 Å²	87	45.7 Å²	45.7	34%	0.341	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.3	172.1	-73.4	-58.8	0	0	0	114.6	P155 Y156 I681 Y682 D683 S687	P155-Y685 HydrophobicContact CB-CE2 4.38Å; P155-Y685 WeakPolarHBondContact CB-OH 3.09Å; Y156-Y685 PolarHBondContact O-OH 3.39Å; I681-Y685 HydrophobicContact CG2-CD2 3.81Å; I681-Y685 HydrophobicContact CG2-CE2 3.6Å; I681-Y685 WeakPolarHBondContact O-CD2 3.47Å; I681-Y685 PolarHBondContact O-N 3.18Å; I681-Y685 VanDerWaalsContact O-N 3.17Å; Y682-Y685 CarbonylContact O-C 3.53Å; Y682-Y685 PolarHBondContact O-N 3.03Å; D683-Y685 VanDerWaalsContact C-N 3.33Å; D683-Y685 PolarHBondContact O-N 3.4Å; Y685-S687 PolarHBondContact O-N 3.43Å
686	M	78.2	Confident	87	Confident	113 Å²	113	48.3 Å²	48.3	56%	0.557	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	36.1	-176.2	-57.4	-68.7	160.5	0	0	113	Y682 D683 K684 K759 Y760	Y682-M686 PolarHBondContact O-N 2.83Å; D683-M686 WeakPolarHBondContact O-CE 3.37Å; D683-M686 PolarHBondContact O-N 3.45Å; D683-M686 VanDerWaalsContact O-N 3.09Å; K684-M686 VanDerWaalsContact C-N 3.29Å; M686-K759 HydrophobicContact SD-CB 4.4Å; M686-Y760 HydrophobicContact CB-CE1 4.49Å
687	S	81.4	Confident	87.3	Confident	52 Å²	52	45 Å²	45	36%	0.364	22%	0.223	S	C	.	.			trans	-153.5	101.7	-178.8	-175	0	0	0	0	112.4	Y682 Y685 F689	Y682-S687 WeakPolarHBondContact CB-O 3.48Å; Y682-S687 PolarHBondContact O-N 3.28Å; Y685-S687 PolarHBondContact O-N 3.43Å; S687-F689 WeakPolarHBondContact OG-CE2 3.31Å
688	S	86.3	Confident	87.7	Confident	24 Å²	24	44 Å²	44	17%	0.168	22%	0.22	C	C	.	.			trans	-113	133.2	177.4	-175.8	0	0	0	0	112.1	L690	S688-L690 PolarHBondContact OG-N 2.98Å
689	F	91.6	Very high	88	Confident	39 Å²	39	43.8 Å²	43.8	17%	0.171	22%	0.219	C	C	.	.			trans	-114.8	25.5	172.1	-58.2	-86.4	0	0	0	112.1	Y665 S687 A701 T702 R709	Y665-F689 PolarHBondContact OH-O 3.35Å; S687-F689 WeakPolarHBondContact OG-CE2 3.31Å; F689-A701 HydrophobicContact CB-CB 4.1Å; F689-A701 PolarHBondContact O-N 3.19Å; F689-T702 HydrophobicContact CD2-CG2 4.39Å; F689-R709 VanDerWaalsContact CD2-NH2 3.28Å
690	L	92.6	Very high	88.4	Confident	48 Å²	48	43.3 Å²	43.3	25%	0.251	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.7	176.7	-62	177.5	0	0	0	110.5	I670 A675 Y682 S688 V698 D700	I670-L690 HydrophobicContact CD1-CD2 4.14Å; A675-L690 HydrophobicContact CB-CD1 4.45Å; A675-L690 WeakPolarHBondContact O-CD1 3.11Å; Y682-L690 HydrophobicContact CD2-CD1 4.07Å; Y682-L690 HydrophobicContact CD2-CD2 4.42Å; Y682-L690 HydrophobicContact CD2-CG 4Å; Y682-L690 HydrophobicContact CE2-CD1 4.43Å; Y682-L690 HydrophobicContact CE2-CD2 4.04Å; Y682-L690 HydrophobicContact CE2-CG 4.13Å; S688-L690 PolarHBondContact OG-N 2.98Å; L690-V698 HydrophobicContact CB-CG1 4.06Å; L690-V698 HydrophobicContact CD2-CG1 4.17Å; L690-D700 HydrophobicContact CD2-CB 3.59Å
691	F	92.9	Very high	89	Confident	43 Å²	43	40.3 Å²	40.3	19%	0.189	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	111.1	174.8	-160.8	-58.1	0	0	0	109.8	Y665 L693 V699 A721 I732 F748	Y665-F691 HydrophobicContact CD1-CB 4.38Å; Y665-F691 HydrophobicContact CE1-CB 4.12Å; F691-L693 PolarHBondContact O-N 3.3Å; F691-V699 PolarHBondContact N-O 3.15Å; F691-V699 PolarHBondContact O-N 2.97Å; F691-A721 HydrophobicContact CE2-CB 3.65Å; F691-A721 HydrophobicContact CZ-CB 3.45Å; F691-A721 VanDerWaalsContact CZ-CB 3.45Å; F691-I732 HydrophobicContact CB-CD1 3.85Å; F691-I732 HydrophobicContact CD1-CD1 3.38Å; F691-I732 HydrophobicContact CD1-CG1 3.95Å; F691-I732 HydrophobicContact CD1-CG2 4.47Å; F691-I732 HydrophobicContact CD2-CD1 4.43Å; F691-I732 HydrophobicContact CE1-CD1 4.09Å; F691-I732 HydrophobicContact CE1-CG1 4.16Å; F691-I732 HydrophobicContact CE1-CG2 4.21Å; F691-I732 HydrophobicContact CE2-CG2 4.25Å; F691-I732 HydrophobicContact CG-CD1 3.62Å; F691-I732 HydrophobicContact CZ-CG2 4.11Å; F691-F748 HydrophobicContact CD2-CE2 4.12Å; F691-F748 HydrophobicContact CD2-CZ 4.47Å; F691-F748 HydrophobicContact CE2-CD2 4.41Å; F691-F748 AromaticContact CE2-CE2 3.72Å; F691-F748 HydrophobicContact CE2-CE2 3.72Å; F691-F748 HydrophobicContact CE2-CZ 4.42Å
692	N	92.3	Very high	89.5	Confident	95 Å²	95	40.6 Å²	40.6	51%	0.508	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	124.1	-179.8	-168.3	-14.9	0	0	0	111.5	Q672 N694	Q672-N692 PolarHBondContact NE2-OD1 3.33Å; N692-N694 PolarHBondContact OD1-N 3.12Å; N692-N694 PolarHBondContact OD1-O 3.28Å
693	L	91.8	Very high	89.8	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-44.8	-173.3	-177.4	72.1	0	0	0	112.2	L669 F691 F697 V699 V723 H730 I732	L669-L693 HydrophobicContact CD1-CD2 3.52Å; F691-L693 PolarHBondContact O-N 3.3Å; L693-F697 WeakPolarHBondContact CB-O 3.5Å; L693-F697 PolarHBondContact N-O 2.88Å; L693-V699 HydrophobicContact CB-CG2 4.15Å; L693-V699 HydrophobicContact CD1-CG2 4.28Å; L693-V699 HydrophobicContact CD2-CG2 4.06Å; L693-V699 HydrophobicContact CG-CG2 4.4Å; L693-V723 HydrophobicContact CD1-CG1 4.01Å; L693-V723 HydrophobicContact CD1-CG2 4.39Å; L693-H730 HydrophobicContact CD1-CB 3.88Å; L693-H730 HydrophobicContact CD2-CB 3.82Å; L693-H730 HydrophobicContact CG-CB 3.7Å; L693-I732 HydrophobicContact CD1-CD1 4.07Å; L693-I732 HydrophobicContact CD1-CG1 3.64Å
694	N	90.9	Very high	90.5	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.032	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	173.4	179	60.8	73.3	0	0	0	108.4	V541 Q672 N692 D696 F697 H730	V541-N694 HydrophobicContact CG1-CB 4.31Å; V541-N694 WeakPolarHBondContact O-CB 3.4Å; Q672-N694 PolarHBondContact NE2-O 3.43Å; N692-N694 PolarHBondContact OD1-N 3.12Å; N692-N694 PolarHBondContact OD1-O 3.28Å; N694-D696 PolarHBondContact O-N 2.91Å; N694-D696 WeakPolarHBondContact OD1-CB 3.09Å; N694-D696 PolarHBondContact OD1-N 2.92Å; N694-F697 PolarHBondContact N-O 3.49Å; N694-F697 PolarHBondContact O-N 3.49Å; N694-F697 PolarHBondContact OD1-N 3.02Å; N694-H730 PolarHBondContact ND2-ND1 3.41Å
695	N	90.4	Very high	91.4	Very high	54 Å²	54	40.3 Å²	40.3	29%	0.289	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.1	-176.1	-63.3	-17.8	0	0	0	114.4	Q540 V541 Y542 Q672	Q540-N695 WeakPolarHBondContact CA-ND2 3.2Å; Q540-N695 WeakPolarHBondContact CB-ND2 3.48Å; V541-N695 PolarHBondContact N-ND2 2.88Å; V541-N695 WeakPolarHBondContact O-CB 3.34Å; V541-N695 PolarHBondContact O-N 2.9Å; V541-N695 PolarHBondContact O-ND2 3.27Å; Y542-N695 HydrophobicContact CD1-CB 3.99Å; Y542-N695 HydrophobicContact CE1-CB 3.98Å; Y542-N695 VanDerWaalsContact CE1-ND2 3.33Å; Y542-N695 WeakPolarHBondContact CE1-ND2 3.47Å; Y542-N695 WeakPolarHBondContact CE2-ND2 3.45Å; Y542-N695 VanDerWaalsContact CZ-ND2 3.27Å; Q672-N695 WeakPolarHBondContact CG-O 3.41Å; Q672-N695 PolarHBondContact NE2-O 2.93Å
696	D	91.2	Very high	92.4	Very high	59 Å²	59	36.7 Å²	36.7	32%	0.316	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-23.5	-172.9	-47	-39	0	0	0	112.2	Y542 N543 N694	Y542-D696 WeakPolarHBondContact CD1-OD1 3.18Å; N543-D696 HydrophobicContact CB-CB 4.29Å; N543-D696 WeakPolarHBondContact CB-OD2 3.38Å; N543-D696 PolarHBondContact N-OD2 2.91Å; N694-D696 PolarHBondContact O-N 2.91Å; N694-D696 WeakPolarHBondContact OD1-CB 3.09Å; N694-D696 PolarHBondContact OD1-N 2.92Å
697	F	95.4	Very high	93.3	Very high	30 Å²	30	36 Å²	36	13%	0.132	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.9	-171.4	-61.6	-81.5	0	0	0	114.9	M144 N543 L669 I670 L693 N694	M144-F697 HydrophobicContact CE-CD1 4.01Å; M144-F697 HydrophobicContact CE-CE1 3.44Å; M144-F697 VanDerWaalsContact CE-CE1 3.44Å; M144-F697 HydrophobicContact CE-CE2 4.46Å; M144-F697 HydrophobicContact CE-CZ 3.71Å; M144-F697 HydrophobicContact SD-CD1 4.06Å; M144-F697 HydrophobicContact SD-CE1 3.64Å; M144-F697 HydrophobicContact SD-CZ 4.46Å; N543-F697 HydrophobicContact CB-CD2 4.02Å; N543-F697 HydrophobicContact CB-CE2 4Å; N543-F697 WeakPolarHBondContact ND2-CE2 3.36Å; L669-F697 HydrophobicContact CD1-CB 3.6Å; L669-F697 HydrophobicContact CD1-CD1 4.48Å; L669-F697 HydrophobicContact CD1-CG 4.19Å; L669-F697 HydrophobicContact CG-CB 4.09Å; L669-F697 HydrophobicContact CG-CD1 4.03Å; L669-F697 HydrophobicContact CG-CG 4.17Å; I670-F697 CarbonylContact O-C 3.52Å; I670-F697 VanDerWaalsContact O-CA 3.22Å; I670-F697 WeakPolarHBondContact O-CA 3.42Å; I670-F697 WeakPolarHBondContact O-CD1 3.36Å; L693-F697 WeakPolarHBondContact CB-O 3.5Å; L693-F697 PolarHBondContact N-O 2.88Å; N694-F697 PolarHBondContact N-O 3.49Å; N694-F697 PolarHBondContact O-N 3.49Å; N694-F697 PolarHBondContact OD1-N 3.02Å
698	V	95.7	Very high	94	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.7	172	-178.6	0	0	0	0	109.5	L669 I670 A675 L690	L669-V698 WeakPolarHBondContact CA-O 3.38Å; I670-V698 HydrophobicContact CG1-CB 4.17Å; I670-V698 PolarHBondContact N-O 2.89Å; I670-V698 PolarHBondContact O-N 3.4Å; A675-V698 HydrophobicContact CB-CB 3.78Å; A675-V698 HydrophobicContact CB-CG1 4.03Å; A675-V698 HydrophobicContact CB-CG2 3.64Å; L690-V698 HydrophobicContact CB-CG1 4.06Å; L690-V698 HydrophobicContact CD2-CG1 4.17Å
699	V	96.8	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.5	171.1	176.5	0	0	0	0	109.3	N142 Y665 E668 L669 F691 L693 I732	N142-V699 WeakPolarHBondContact ND2-CG2 3.34Å; Y665-V699 HydrophobicContact CD1-CG1 4.18Å; Y665-V699 HydrophobicContact CE1-CG1 4.45Å; E668-V699 CarbonylContact O-C 3.57Å; E668-V699 VanDerWaalsContact O-CA 3.28Å; E668-V699 WeakPolarHBondContact O-CA 3.49Å; L669-V699 HydrophobicContact CD1-CG2 3.94Å; F691-V699 PolarHBondContact N-O 3.15Å; F691-V699 PolarHBondContact O-N 2.97Å; L693-V699 HydrophobicContact CB-CG2 4.15Å; L693-V699 HydrophobicContact CD1-CG2 4.28Å; L693-V699 HydrophobicContact CD2-CG2 4.06Å; L693-V699 HydrophobicContact CG-CG2 4.4Å; V699-I732 HydrophobicContact CB-CD1 3.87Å; V699-I732 HydrophobicContact CG1-CD1 4.36Å; V699-I732 HydrophobicContact CG2-CD1 3.87Å
700	D	96.5	Very high	94.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	108.3	176.6	176	18.6	0	0	0	110.5	G667 E668 I670 R678 Y682 L690 T702	G667-D700 CarbonylContact C-O 3.55Å; G667-D700 WeakPolarHBondContact CA-O 3.5Å; E668-D700 HydrophobicContact CB-CB 4.44Å; E668-D700 PolarHBondContact N-O 3.34Å; E668-D700 PolarHBondContact O-N 3.34Å; I670-D700 HydrophobicContact CD1-CB 3.8Å; I670-D700 HydrophobicContact CG1-CB 4.38Å; R678-D700 IonicContact CZ-OD2 2.74Å; R678-D700 IonicContact NH1-OD2 2.96Å; R678-D700 PolarHBondContact NH1-OD2 2.89Å; Y682-D700 PolarHBondContact OH-OD2 3.42Å; L690-D700 HydrophobicContact CD2-CB 3.59Å; D700-T702 VanDerWaalsContact C-N 3.29Å; D700-T702 PolarHBondContact O-N 2.79Å; D700-T702 WeakPolarHBondContact OD1-CB 3.48Å; D700-T702 PolarHBondContact OD1-N 2.86Å; D700-T702 PolarHBondContact OD1-OG1 3.26Å
701	A	96.9	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	3.5	176.6	0	0	0	0	0	114	Y665 F689 K704 R709	Y665-A701 HydrophobicContact CE1-CB 3.64Å; F689-A701 HydrophobicContact CB-CB 4.1Å; F689-A701 PolarHBondContact O-N 3.19Å; A701-K704 CarbonylContact C-O 3.41Å; A701-K704 WeakPolarHBondContact CA-O 3.41Å; A701-R709 HydrophobicContact CB-CB 4.03Å; A701-R709 PolarHBondContact O-NE 3.44Å; A701-R709 PolarHBondContact O-NH1 3.42Å; A701-R709 PolarHBondContact O-NH2 2.86Å
702	T	93.7	Very high	94.9	Very high	29 Å²	29	29.2 Å²	29.2	18%	0.178	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-59.1	-169.9	-55.6	0	0	0	0	112.5	Y682 F689 D700 R709	Y682-T702 HydrophobicContact CE1-CG2 3.99Å; Y682-T702 HydrophobicContact CE2-CG2 4.44Å; Y682-T702 WeakPolarHBondContact CE2-OG1 3.23Å; F689-T702 HydrophobicContact CD2-CG2 4.39Å; D700-T702 VanDerWaalsContact C-N 3.29Å; D700-T702 PolarHBondContact O-N 2.79Å; D700-T702 WeakPolarHBondContact OD1-CB 3.48Å; D700-T702 PolarHBondContact OD1-N 2.86Å; D700-T702 PolarHBondContact OD1-OG1 3.26Å; T702-R709 PolarHBondContact O-NH1 3.27Å; T702-R709 PolarHBondContact O-NH2 2.9Å
703	R	94.2	Very high	94.8	Very high	103 Å²	103	25.9 Å²	25.9	39%	0.389	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-39.8	-176.1	-59.7	178.2	180	179.3	-0.2	112.9	W136 S137 E148	W136-R703 VanDerWaalsContact CA-O 3.29Å; W136-R703 WeakPolarHBondContact CA-O 3.25Å; S137-R703 PolarHBondContact N-O 3.4Å; E148-R703 IonicContact OE1-CZ 3.67Å; E148-R703 VanDerWaalsContact OE1-CZ 3.26Å; E148-R703 IonicContact OE1-NH1 3.56Å; E148-R703 PolarHBondContact OE1-NH1 3.34Å; E148-R703 IonicContact OE1-NH2 3.96Å; E148-R703 PolarHBondContact OE1-NH2 3.02Å; E148-R703 IonicContact OE2-NH2 3.68Å; E148-R703 PolarHBondContact OE2-NH2 3.27Å
704	K	96.9	Very high	94.7	Very high	49 Å²	49	26.2 Å²	26.2	21%	0.213	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.9	177.4	-48.5	-170	-174.8	99.5	0	108.5	S137 L139 F143 G667 E668 A701	S137-K704 CarbonylContact O-C 3.45Å; S137-K704 VanDerWaalsContact O-CA 3.3Å; S137-K704 WeakPolarHBondContact O-CA 3.42Å; L139-K704 HydrophobicContact CD1-CB 3.61Å; L139-K704 HydrophobicContact CD2-CB 4.34Å; L139-K704 HydrophobicContact CD2-CD 4.43Å; L139-K704 HydrophobicContact CG-CB 3.86Å; F143-K704 HydrophobicContact CG-CD 4.46Å; G667-K704 WeakPolarHBondContact CA-O 3.45Å; E668-K704 HydrophobicContact CG-CB 3.89Å; E668-K704 HydrophobicContact CG-CD 4.19Å; E668-K704 HydrophobicContact CG-CG 3.91Å; E668-K704 WeakPolarHBondContact OE1-CE 3.42Å; E668-K704 WeakPolarHBondContact OE1-CG 3.33Å; E668-K704 IonicContact OE1-NZ 2.75Å; E668-K704 PolarHBondContact OE1-NZ 3.45Å; A701-K704 CarbonylContact C-O 3.41Å; A701-K704 WeakPolarHBondContact CA-O 3.41Å
705	G	97.1	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-160.4	-178.3	0	0	0	0	0	113.5	W136 S137 P138 L139 C666	W136-G705 WeakPolarHBondContact CZ3-O 3.45Å; S137-G705 PolarHBondContact O-N 3.34Å; P138-G705 CarbonylContact C-O 3.51Å; P138-G705 WeakPolarHBondContact CA-O 3.45Å; L139-G705 PolarHBondContact N-O 2.83Å; C666-G705 WeakPolarHBondContact O-CA 3.38Å
706	N	97	Very high	94.4	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.064	17%	0.168	C	C	.	.			trans	-139.8	175.1	176.9	69.9	-3.9	0	0	0	112.1	L139 E664 C666 I708 R709	L139-N706 WeakPolarHBondContact O-CB 3.47Å; E664-N706 PolarHBondContact O-ND2 3.11Å; C666-N706 HydrophobicContact CB-CB 4.27Å; C666-N706 PolarHBondContact N-OD1 3Å; C666-N706 PolarHBondContact SG-ND2 3.18Å; N706-I708 PolarHBondContact O-N 3.24Å; N706-I708 WeakPolarHBondContact OD1-CG2 3.12Å; N706-R709 WeakPolarHBondContact O-CB 3.33Å; N706-R709 VanDerWaalsContact O-CG 3.23Å; N706-R709 WeakPolarHBondContact O-CG 2.91Å; N706-R709 PolarHBondContact O-N 2.87Å
707	K	97.3	Very high	94.6	Very high	98 Å²	98	31.4 Å²	31.4	43%	0.426	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-53.8	-28.4	-170.1	-74.2	-171.6	169.8	-173.5	0	115.6	L638 R709 F710	L638-K707 HydrophobicContact CB-CB 4.1Å; L638-K707 HydrophobicContact CB-CD 4.09Å; L638-K707 HydrophobicContact CD1-CB 4.1Å; L638-K707 WeakPolarHBondContact O-CD 3.41Å; L638-K707 PolarHBondContact O-NZ 2.81Å; K707-R709 PolarHBondContact O-N 3.16Å; K707-F710 PolarHBondContact O-N 2.98Å
708	I	97.6	Very high	94.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-74	-6.9	179.9	-158.4	67.6	0	0	0	112.8	L638 T650 I662 E664 Y665 N706 F710 A711 I734 L746	L638-I708 HydrophobicContact CD1-CB 3.9Å; L638-I708 HydrophobicContact CD1-CD1 3.68Å; L638-I708 HydrophobicContact CD1-CG1 4.35Å; T650-I708 HydrophobicContact CG2-CD1 4.05Å; I662-I708 HydrophobicContact CG2-CD1 4.21Å; E664-I708 VanDerWaalsContact O-CG2 3.27Å; E664-I708 WeakPolarHBondContact O-CG2 3.1Å; Y665-I708 HydrophobicContact CD2-CG2 3.99Å; Y665-I708 HydrophobicContact CG-CG2 4.38Å; N706-I708 PolarHBondContact O-N 3.24Å; N706-I708 WeakPolarHBondContact OD1-CG2 3.12Å; I708-F710 PolarHBondContact O-N 3.07Å; I708-F710 VanDerWaalsContact O-N 3.16Å; I708-A711 HydrophobicContact CD1-CB 3.88Å; I708-A711 HydrophobicContact CG1-CB 4.17Å; I708-A711 WeakPolarHBondContact O-CB 3.42Å; I708-A711 PolarHBondContact O-N 3.46Å; I708-A711 VanDerWaalsContact O-N 3.07Å; I708-I734 HydrophobicContact CD1-CG2 4.36Å; I708-I734 HydrophobicContact CG1-CB 4.21Å; I708-I734 HydrophobicContact CG1-CG1 3.9Å; I708-I734 HydrophobicContact CG1-CG2 4.22Å; I708-I734 HydrophobicContact CG2-CG1 4.35Å; I708-L746 HydrophobicContact CD1-CD1 3.78Å
709	R	96	Very high	94.8	Very high	13 Å²	13	30 Å²	30	5%	0.049	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-60.6	-19.4	171.4	78.8	174.3	-75.1	-173.9	-0.6	114.2	W136 F689 A701 T702 N706 K707	W136-R709 VanDerWaalsContact CG-NH1 3.33Å; F689-R709 VanDerWaalsContact CD2-NH2 3.28Å; A701-R709 HydrophobicContact CB-CB 4.03Å; A701-R709 PolarHBondContact O-NE 3.44Å; A701-R709 PolarHBondContact O-NH1 3.42Å; A701-R709 PolarHBondContact O-NH2 2.86Å; T702-R709 PolarHBondContact O-NH1 3.27Å; T702-R709 PolarHBondContact O-NH2 2.9Å; N706-R709 WeakPolarHBondContact O-CB 3.33Å; N706-R709 VanDerWaalsContact O-CG 3.23Å; N706-R709 WeakPolarHBondContact O-CG 2.91Å; N706-R709 PolarHBondContact O-N 2.87Å; K707-R709 PolarHBondContact O-N 3.16Å
710	F	96.4	Very high	94.7	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.075	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-97.4	14	177.9	-55	-77.7	0	0	0	112.4	M133 W136 L640 W648 G649 T650 K707 I708 N712	M133-F710 HydrophobicContact SD-CE1 4.33Å; M133-F710 HydrophobicContact SD-CZ 3.99Å; W136-F710 AromaticContact CE2-CZ 3.95Å; W136-F710 HydrophobicContact CH2-CE2 4.41Å; W136-F710 AromaticContact CZ2-CE2 3.68Å; W136-F710 HydrophobicContact CZ2-CE2 3.68Å; W136-F710 HydrophobicContact CZ2-CZ 4.08Å; W136-F710 AromaticContact NE1-CZ 3.65Å; L640-F710 HydrophobicContact CD1-CB 4.06Å; L640-F710 HydrophobicContact CD1-CD1 4.15Å; L640-F710 HydrophobicContact CD1-CD2 3.67Å; L640-F710 HydrophobicContact CD1-CE2 4.08Å; L640-F710 HydrophobicContact CD1-CG 3.7Å; L640-F710 HydrophobicContact CD1-CZ 4.48Å; L640-F710 HydrophobicContact CD2-CE2 4.47Å; W648-F710 HydrophobicContact CB-CD1 3.78Å; W648-F710 HydrophobicContact CB-CE1 4.24Å; G649-F710 CarbonylContact C-O 3.46Å; G649-F710 WeakPolarHBondContact CA-O 2.87Å; T650-F710 PolarHBondContact N-O 2.88Å; K707-F710 PolarHBondContact O-N 2.98Å; I708-F710 PolarHBondContact O-N 3.07Å; I708-F710 VanDerWaalsContact O-N 3.16Å; F710-N712 PolarHBondContact O-N 2.98Å
711	A	96.1	Very high	94.7	Very high	1 Å²	1	34 Å²	34	1%	0.008	17%	0.169	C	C	.	.			trans	-80.5	110.1	168.8	0	0	0	0	0	108.4	T650 I708 L746 F748 Y750	T650-A711 HydrophobicContact CG2-CB 3.7Å; I708-A711 HydrophobicContact CD1-CB 3.88Å; I708-A711 HydrophobicContact CG1-CB 4.17Å; I708-A711 WeakPolarHBondContact O-CB 3.42Å; I708-A711 PolarHBondContact O-N 3.46Å; I708-A711 VanDerWaalsContact O-N 3.07Å; A711-L746 CarbonylContact C-O 3.5Å; A711-L746 WeakPolarHBondContact CA-O 3.32Å; A711-L746 HydrophobicContact CB-CB 4.13Å; A711-L746 VanDerWaalsContact CB-O 3.3Å; A711-L746 WeakPolarHBondContact CB-O 3.19Å; A711-F748 HydrophobicContact CB-CD1 3.85Å; A711-F748 HydrophobicContact CB-CE1 3.95Å; A711-F748 VanDerWaalsContact O-CE1 3.24Å; A711-F748 WeakPolarHBondContact O-CE1 3.42Å; A711-Y750 PolarHBondContact O-OH 3.08Å
712	N	93.3	Very high	94.5	Very high	33 Å²	33	36.4 Å²	36.4	18%	0.176	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	167.4	-167.9	-79.2	-54	0	0	0	113.6	S643 W648 F710 E745 L746 F747 F748	S643-N712 PolarHBondContact OG-ND2 3.45Å; W648-N712 PolarHBondContact O-ND2 3.33Å; W648-N712 VanDerWaalsContact O-ND2 3.07Å; F710-N712 PolarHBondContact O-N 2.98Å; N712-E745 PolarHBondContact ND2-OE1 3.41Å; N712-L746 PolarHBondContact N-O 3.02Å; N712-F747 HydrophobicContact CB-CD1 3.65Å; N712-F747 HydrophobicContact CB-CE1 3.73Å; N712-F747 CarbonylContact O-C 3.57Å; N712-F747 WeakPolarHBondContact O-CA 3.47Å; N712-F748 PolarHBondContact O-N 2.85Å
713	H	90.1	Very high	94.6	Very high	24 Å²	24	37.1 Å²	37.1	11%	0.111	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	143	170.9	-177.1	77.5	0	0	0	111.5	F748 D749 Y750 V761	H713-F748 WeakPolarHBondContact CA-O 3.35Å; H713-D749 IonicContact CE1-OD1 2.77Å; H713-Y750 HydrophobicContact CB-CD1 3.9Å; H713-Y750 HydrophobicContact CB-CD2 4.22Å; H713-Y750 HydrophobicContact CB-CE1 4.01Å; H713-Y750 HydrophobicContact CB-CE2 4.32Å; H713-Y750 HydrophobicContact CB-CG 4.01Å; H713-Y750 WeakPolarHBondContact ND1-CB 3.21Å; H713-Y750 AromaticContact ND1-CD1 3.77Å; H713-Y750 AromaticContact ND1-CG 3.57Å; H713-Y750 PolarHBondContact ND1-N 3.25Å; H713-Y750 VanDerWaalsContact ND1-N 3.18Å; H713-V761 WeakPolarHBondContact CD2-CG2 3.38Å
714	S	88.4	Confident	94.6	Very high	18 Å²	18	32.5 Å²	32.5	13%	0.126	17%	0.167	C	C	.	.			trans	-155.7	152.2	155.3	172.2	0	0	0	0	109.2	N716 P717 F748 E764	S714-N716 VanDerWaalsContact C-N 3.28Å; S714-N716 PolarHBondContact OG-N 3.05Å; S714-N716 VanDerWaalsContact OG-N 3.08Å; S714-P717 WeakPolarHBondContact O-CD 3.26Å; S714-F748 PolarHBondContact N-O 3.18Å; S714-E764 WeakPolarHBondContact CB-OE1 3.42Å; S714-E764 PolarHBondContact OG-OE1 3.24Å
715	V	87.3	Confident	94.5	Very high	85 Å²	85	30.6 Å²	30.6	52%	0.515	16%	0.159	S	C	.	.	S	Bend	trans	-74.7	-21.2	172.3	-51.9	0	0	0	0	112.1	P717 E764	V715-P717 WeakPolarHBondContact O-CD 3.33Å; V715-E764 VanDerWaalsContact CG2-OE2 3.3Å; V715-E764 WeakPolarHBondContact CG2-OE2 3.44Å; V715-E764 PolarHBondContact N-OE1 3.48Å
716	N	89.3	Confident	94.5	Very high	133 Å²	133	30.8 Å²	30.8	71%	0.711	16%	0.16	S	C	*	.	S	Bend	trans	-111.6	53.2	177.3	-73.5	-47.9	0	0	0	112.7	S714	S714-N716 VanDerWaalsContact C-N 3.28Å; S714-N716 PolarHBondContact OG-N 3.05Å; S714-N716 VanDerWaalsContact OG-N 3.08Å
717	P	94.8	Very high	94.4	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.065	17%	0.165	C	C	.	.			trans	-71.5	153.5	-167.1	31.7	-38.6	0	0	0	113.3	S714 V715 C719 K737 F747 F748 D749	S714-P717 WeakPolarHBondContact O-CD 3.26Å; V715-P717 WeakPolarHBondContact O-CD 3.33Å; P717-C719 WeakPolarHBondContact CB-O 3.1Å; P717-K737 HydrophobicContact CG-CD 4.3Å; P717-K737 WeakPolarHBondContact O-CD 3.47Å; P717-F747 HydrophobicContact CB-CB 4.32Å; P717-F747 VanDerWaalsContact CB-O 3.23Å; P717-F747 WeakPolarHBondContact CB-O 3.47Å; P717-F748 VanDerWaalsContact CB-CA 3.49Å; P717-D749 HydrophobicContact CG-CB 3.99Å
718	N	96.9	Very high	94.2	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	15%	0.145	C	C	.	.	S	Bend	trans	-87.5	-14	169.8	64.6	8.6	0	0	0	113.5	K737 R738 I740 E745 F747	N718-K737 WeakPolarHBondContact O-CA 3.37Å; N718-K737 VanDerWaalsContact O-CB 3.26Å; N718-K737 WeakPolarHBondContact O-CB 3.38Å; N718-K737 PolarHBondContact O-N 3.3Å; N718-R738 HydrophobicContact CB-CG 4.23Å; N718-I740 HydrophobicContact CB-CD1 4.23Å; N718-I740 HydrophobicContact CB-CG1 4.41Å; N718-E745 PolarHBondContact ND2-O 3.35Å; N718-F747 PolarHBondContact N-O 3.07Å; N718-F747 PolarHBondContact OD1-N 2.89Å; N718-F747 PolarHBondContact OD1-O 3.03Å
719	C	97.9	Very high	94.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	168.1	174	-55.4	0	0	0	0	112.6	I662 P717 I734 F735 F747 F748	I662-C719 WeakPolarHBondContact CD1-SG 3.48Å; P717-C719 WeakPolarHBondContact CB-O 3.1Å; C719-I734 HydrophobicContact CB-CG2 3.94Å; C719-F735 CarbonylContact C-O 3.58Å; C719-F735 VanDerWaalsContact CA-O 3.28Å; C719-F735 WeakPolarHBondContact CA-O 3.47Å; C719-F747 WeakPolarHBondContact CA-O 3.37Å; C719-F747 VanDerWaalsContact CB-O 3.22Å; C719-F747 WeakPolarHBondContact CB-O 3.35Å; C719-F747 PolarHBondContact N-O 3.2Å; C719-F748 HydrophobicContact CB-CB 4.19Å
720	Y	96.1	Very high	94.1	Very high	66 Å²	66	28.3 Å²	28.3	26%	0.259	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.2	165	67.6	-91.1	0	0	0	110.7	K722 F735 A736 K737	Y720-K722 HydrophobicContact CD2-CB 4.45Å; Y720-K722 HydrophobicContact CE2-CB 4.3Å; Y720-F735 HydrophobicContact CD1-CB 4.36Å; Y720-F735 HydrophobicContact CD2-CB 4.37Å; Y720-F735 HydrophobicContact CE1-CB 3.8Å; Y720-F735 HydrophobicContact CE2-CB 3.78Å; Y720-F735 HydrophobicContact CE2-CD2 4.02Å; Y720-F735 HydrophobicContact CE2-CG 4.15Å; Y720-F735 VanDerWaalsContact CZ-CB 3.46Å; Y720-F735 PolarHBondContact N-O 3.24Å; Y720-F735 PolarHBondContact O-N 3.29Å; Y720-A736 WeakPolarHBondContact CE1-O 3.49Å; Y720-K737 HydrophobicContact CD1-CB 3.94Å; Y720-K737 HydrophobicContact CD1-CG 4.31Å
721	A	95.3	Very high	94.1	Very high	19 Å²	19	28.4 Å²	28.4	16%	0.157	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146.9	172	0	0	0	0	0	111.1	F691 I732 G733 I734 F748	F691-A721 HydrophobicContact CE2-CB 3.65Å; F691-A721 HydrophobicContact CZ-CB 3.45Å; F691-A721 VanDerWaalsContact CZ-CB 3.45Å; A721-I732 HydrophobicContact CB-CG2 4.2Å; A721-G733 CarbonylContact C-O 3.47Å; A721-I734 HydrophobicContact CB-CD1 3.58Å; A721-F748 HydrophobicContact CB-CD2 4.48Å
722	K	93.5	Very high	94.2	Very high	49 Å²	49	28.4 Å²	28.4	21%	0.213	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	120.6	174.7	-176	-177.1	179.1	-170.9	0	109.7	V601 Y720 V724 G733 F735	V601-K722 VanDerWaalsContact CG1-CE 3.48Å; Y720-K722 HydrophobicContact CD2-CB 4.45Å; Y720-K722 HydrophobicContact CE2-CB 4.3Å; K722-V724 HydrophobicContact CD-CG2 4.12Å; K722-V724 HydrophobicContact CG-CG2 4.01Å; K722-G733 PolarHBondContact N-O 3.34Å; K722-G733 PolarHBondContact O-N 3Å; K722-F735 HydrophobicContact CB-CD2 4.13Å; K722-F735 HydrophobicContact CB-CE2 3.97Å
723	V	94.9	Very high	94.3	Very high	44 Å²	44	26.8 Å²	26.8	27%	0.267	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.1	166.4	-175.6	0	0	0	0	108.4	V601 L693 H730 R731 I732	V601-V723 WeakPolarHBondContact CG1-O 3.45Å; L693-V723 HydrophobicContact CD1-CG1 4.01Å; L693-V723 HydrophobicContact CD1-CG2 4.39Å; V723-H730 HydrophobicContact CG1-CB 4.13Å; V723-R731 CarbonylContact C-O 3.48Å; V723-R731 WeakPolarHBondContact CA-O 3.42Å; V723-I732 HydrophobicContact CG2-CG1 4.25Å
724	V	94.8	Very high	94.7	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.036	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.4	-179.4	-177.6	0	0	0	0	107.9	V601 E603 I630 K722 V726 R731	V601-V724 HydrophobicContact CG1-CG2 4.5Å; E603-V724 HydrophobicContact CG-CG1 3.99Å; I630-V724 HydrophobicContact CD1-CB 4.11Å; I630-V724 HydrophobicContact CD1-CG2 4.24Å; K722-V724 HydrophobicContact CD-CG2 4.12Å; K722-V724 HydrophobicContact CG-CG2 4.01Å; V724-V726 HydrophobicContact CB-CG2 4.37Å; V724-V726 HydrophobicContact CG1-CG2 4.13Å; V724-R731 PolarHBondContact N-O 2.8Å; V724-R731 PolarHBondContact O-N 2.65Å
725	M	95.6	Very high	95.1	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.049	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.4	168.6	-172.3	167	-67.4	0	0	111	V601 R602 E603 D729 H730	V601-M725 PolarHBondContact O-N 3.13Å; V601-M725 VanDerWaalsContact O-N 3.11Å; R602-M725 VanDerWaalsContact CA-O 3.29Å; R602-M725 WeakPolarHBondContact CA-O 3.36Å; R602-M725 HydrophobicContact CG-CB 4.35Å; R602-M725 PolarHBondContact NH1-SD 2.72Å; E603-M725 PolarHBondContact N-O 2.94Å; M725-D729 WeakPolarHBondContact CA-O 3.09Å; M725-H730 WeakPolarHBondContact CE-CE1 3.44Å; M725-H730 WeakPolarHBondContact CE-NE2 3.19Å
726	V	96.5	Very high	95.6	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	102.5	-172.7	-177.8	0	0	0	0	107.9	E603 I630 Q631 V724 G728 D729 R731	E603-V726 HydrophobicContact CB-CG2 4.23Å; E603-V726 HydrophobicContact CG-CG2 3.98Å; I630-V726 HydrophobicContact CB-CG2 4.18Å; I630-V726 HydrophobicContact CD1-CG2 4.19Å; I630-V726 HydrophobicContact CG2-CG2 4.11Å; Q631-V726 HydrophobicContact CB-CG1 3.61Å; V724-V726 HydrophobicContact CB-CG2 4.37Å; V724-V726 HydrophobicContact CG1-CG2 4.13Å; V726-G728 PolarHBondContact O-N 3.28Å; V726-G728 VanDerWaalsContact O-N 3.16Å; V726-D729 PolarHBondContact N-O 2.85Å; V726-D729 PolarHBondContact O-N 2.77Å; V726-R731 HydrophobicContact CG2-CB 4.24Å
727	N	94.5	Very high	96	Very high	33 Å²	33	20.4 Å²	20.4	18%	0.176	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	40.6	179.7	-59.1	-60.6	0	0	0	114.4	K569 F570 P606 Q631	K569-N727 PolarHBondContact NZ-OD1 3.31Å; F570-N727 WeakPolarHBondContact CE2-O 3.47Å; P606-N727 VanDerWaalsContact CD-OD1 3.24Å; P606-N727 WeakPolarHBondContact CD-OD1 3.4Å; Q631-N727 PolarHBondContact OE1-ND2 3.1Å
728	G	93.4	Very high	96.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-8	-178.9	0	0	0	0	0	115.2	R338 Y544 V726	R338-G728 PolarHBondContact NH2-O 3.15Å; Y544-G728 WeakPolarHBondContact CB-O 3.18Å; Y544-G728 WeakPolarHBondContact CD1-O 3.47Å; V726-G728 PolarHBondContact O-N 3.28Å; V726-G728 VanDerWaalsContact O-N 3.16Å
729	D	96.1	Very high	96.2	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.123	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137	175.6	-56.7	-25.6	0	0	0	110	R338 L346 H347 M725 V726	R338-D729 IonicContact CZ-OD1 2.67Å; R338-D729 IonicContact NE-OD1 2.92Å; R338-D729 IonicContact NH2-OD1 3.06Å; R338-D729 PolarHBondContact NH2-OD1 3.45Å; L346-D729 WeakPolarHBondContact CD2-OD2 3.34Å; H347-D729 IonicContact CD2-OD1 3.37Å; H347-D729 IonicContact CE1-OD1 3.84Å; H347-D729 IonicContact CE1-OD2 2.73Å; H347-D729 IonicContact NE2-OD1 3.21Å; H347-D729 PolarHBondContact NE2-OD1 3.39Å; H347-D729 IonicContact NE2-OD2 2.97Å; M725-D729 WeakPolarHBondContact CA-O 3.09Å; V726-D729 PolarHBondContact N-O 2.85Å; V726-D729 PolarHBondContact O-N 2.77Å
730	H	95.8	Very high	96.2	Very high	16 Å²	16	28.2 Å²	28.2	7%	0.074	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132	165	-71.6	109.6	0	0	0	109.4	Y542 L693 N694 V723 M725	Y542-H730 PolarHBondContact O-CE1 2.84Å; L693-H730 HydrophobicContact CD1-CB 3.88Å; L693-H730 HydrophobicContact CD2-CB 3.82Å; L693-H730 HydrophobicContact CG-CB 3.7Å; N694-H730 PolarHBondContact ND2-ND1 3.41Å; V723-H730 HydrophobicContact CG1-CB 4.13Å; M725-H730 WeakPolarHBondContact CE-CE1 3.44Å; M725-H730 WeakPolarHBondContact CE-NE2 3.19Å
731	R	96.4	Very high	96.2	Very high	19 Å²	19	30.7 Å²	30.7	7%	0.072	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.2	177.8	-69.3	-178.1	171.3	-139	3.8	111.4	H141 I630 E664 V723 V724 V726	H141-R731 PolarHBondContact ND1-NH1 3.1Å; I630-R731 HydrophobicContact CG2-CB 3.96Å; I630-R731 HydrophobicContact CG2-CG 4.39Å; E664-R731 VanDerWaalsContact CD-NH1 3.3Å; E664-R731 WeakPolarHBondContact OE1-CD 3.46Å; E664-R731 WeakPolarHBondContact OE1-CG 3.39Å; E664-R731 IonicContact OE1-CZ 2.79Å; E664-R731 IonicContact OE1-NE 2.84Å; E664-R731 PolarHBondContact OE1-NE 3.15Å; E664-R731 IonicContact OE1-NH1 3.81Å; E664-R731 PolarHBondContact OE1-NH1 3.26Å; E664-R731 IonicContact OE2-CZ 3.23Å; E664-R731 IonicContact OE2-NH1 2.88Å; E664-R731 PolarHBondContact OE2-NH1 2.63Å; V723-R731 CarbonylContact C-O 3.48Å; V723-R731 WeakPolarHBondContact CA-O 3.42Å; V724-R731 PolarHBondContact N-O 2.8Å; V724-R731 PolarHBondContact O-N 2.65Å; V726-R731 HydrophobicContact CG2-CB 4.24Å
732	I	96.8	Very high	96.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.2	179.4	-58.8	153.6	0	0	0	108.3	E664 Y665 F691 L693 V699 A721 V723 I734	E664-I732 CarbonylContact C-O 3.59Å; E664-I732 VanDerWaalsContact CA-O 3.29Å; E664-I732 WeakPolarHBondContact CA-O 3.39Å; Y665-I732 HydrophobicContact CD1-CD1 4.38Å; Y665-I732 PolarHBondContact N-O 3Å; F691-I732 HydrophobicContact CB-CD1 3.85Å; F691-I732 HydrophobicContact CD1-CD1 3.38Å; F691-I732 HydrophobicContact CD1-CG1 3.95Å; F691-I732 HydrophobicContact CD1-CG2 4.47Å; F691-I732 HydrophobicContact CD2-CD1 4.43Å; F691-I732 HydrophobicContact CE1-CD1 4.09Å; F691-I732 HydrophobicContact CE1-CG1 4.16Å; F691-I732 HydrophobicContact CE1-CG2 4.21Å; F691-I732 HydrophobicContact CE2-CG2 4.25Å; F691-I732 HydrophobicContact CG-CD1 3.62Å; F691-I732 HydrophobicContact CZ-CG2 4.11Å; L693-I732 HydrophobicContact CD1-CD1 4.07Å; L693-I732 HydrophobicContact CD1-CG1 3.64Å; V699-I732 HydrophobicContact CB-CD1 3.87Å; V699-I732 HydrophobicContact CG1-CD1 4.36Å; V699-I732 HydrophobicContact CG2-CD1 3.87Å; A721-I732 HydrophobicContact CB-CG2 4.2Å; V723-I732 HydrophobicContact CG2-CG1 4.25Å; I732-I734 HydrophobicContact CG2-CD1 4.06Å
733	G	97	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.2	169.2	0	0	0	0	0	111.1	A721 K722 F735	A721-G733 CarbonylContact C-O 3.47Å; K722-G733 PolarHBondContact N-O 3.34Å; K722-G733 PolarHBondContact O-N 3Å; G733-F735 VanDerWaalsContact C-CE2 3.49Å; G733-F735 VanDerWaalsContact O-CD2 3.25Å; G733-F735 WeakPolarHBondContact O-CD2 3.25Å; G733-F735 WeakPolarHBondContact O-CE2 3.19Å
734	I	97.8	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.4	169.8	-52.4	-54.9	0	0	0	108.6	I662 S663 I708 C719 A721 I732	I662-I734 PolarHBondContact N-O 3.35Å; S663-I734 PolarHBondContact N-O 3.14Å; S663-I734 WeakPolarHBondContact O-CB 3.39Å; S663-I734 PolarHBondContact O-N 3.45Å; I708-I734 HydrophobicContact CD1-CG2 4.36Å; I708-I734 HydrophobicContact CG1-CB 4.21Å; I708-I734 HydrophobicContact CG1-CG1 3.9Å; I708-I734 HydrophobicContact CG1-CG2 4.22Å; I708-I734 HydrophobicContact CG2-CG1 4.35Å; C719-I734 HydrophobicContact CB-CG2 3.94Å; A721-I734 HydrophobicContact CB-CD1 3.58Å; I732-I734 HydrophobicContact CG2-CD1 4.06Å
735	F	97.4	Very high	96.7	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.132	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.3	-174.9	-60	-94.4	0	0	0	110.6	E660 F661 C719 Y720 K722 G733	E660-F735 VanDerWaalsContact O-CA 3.31Å; E660-F735 WeakPolarHBondContact O-CA 3.4Å; F661-F735 HydrophobicContact CB-CD1 4.03Å; F661-F735 HydrophobicContact CB-CE1 3.86Å; F661-F735 HydrophobicContact CD2-CD1 4.34Å; F661-F735 AromaticContact CD2-CE1 3.87Å; F661-F735 HydrophobicContact CD2-CE1 3.87Å; F661-F735 HydrophobicContact CD2-CZ 4.01Å; F661-F735 HydrophobicContact CG-CE1 4.34Å; C719-F735 CarbonylContact C-O 3.58Å; C719-F735 VanDerWaalsContact CA-O 3.28Å; C719-F735 WeakPolarHBondContact CA-O 3.47Å; Y720-F735 HydrophobicContact CD1-CB 4.36Å; Y720-F735 HydrophobicContact CD2-CB 4.37Å; Y720-F735 HydrophobicContact CE1-CB 3.8Å; Y720-F735 HydrophobicContact CE2-CB 3.78Å; Y720-F735 HydrophobicContact CE2-CD2 4.02Å; Y720-F735 HydrophobicContact CE2-CG 4.15Å; Y720-F735 VanDerWaalsContact CZ-CB 3.46Å; Y720-F735 PolarHBondContact N-O 3.24Å; Y720-F735 PolarHBondContact O-N 3.29Å; K722-F735 HydrophobicContact CB-CD2 4.13Å; K722-F735 HydrophobicContact CB-CE2 3.97Å; G733-F735 VanDerWaalsContact C-CE2 3.49Å; G733-F735 VanDerWaalsContact O-CD2 3.25Å; G733-F735 WeakPolarHBondContact O-CD2 3.25Å; G733-F735 WeakPolarHBondContact O-CE2 3.19Å
736	A	97.9	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.6	178.3	0	0	0	0	0	112	V656 Q657 N659 E660 I662 Y720 R738 I740	V656-A736 HydrophobicContact CG1-CB 3.82Å; Q657-A736 WeakPolarHBondContact O-CB 3.34Å; N659-A736 WeakPolarHBondContact CA-O 3.25Å; N659-A736 PolarHBondContact N-O 3.18Å; E660-A736 PolarHBondContact O-N 2.95Å; I662-A736 HydrophobicContact CD1-CB 4.13Å; Y720-A736 WeakPolarHBondContact CE1-O 3.49Å; A736-R738 WeakPolarHBondContact CB-O 3.18Å; A736-I740 HydrophobicContact CB-CD1 3.75Å; A736-I740 HydrophobicContact CB-CG1 4.12Å
737	K	96.9	Very high	96.8	Very high	96 Å²	96	37.6 Å²	37.6	42%	0.417	20%	0.195	S	C	.	.	S	Bend	trans	-78	-31	177.6	-165.8	-174	179.6	-176.4	0	112.1	K658 P717 N718 Y720	K658-K737 WeakPolarHBondContact CD-O 3.44Å; K658-K737 WeakPolarHBondContact CE-O 3.22Å; K658-K737 WeakPolarHBondContact CG-O 3.45Å; P717-K737 HydrophobicContact CG-CD 4.3Å; P717-K737 WeakPolarHBondContact O-CD 3.47Å; N718-K737 WeakPolarHBondContact O-CA 3.37Å; N718-K737 VanDerWaalsContact O-CB 3.26Å; N718-K737 WeakPolarHBondContact O-CB 3.38Å; N718-K737 PolarHBondContact O-N 3.3Å; Y720-K737 HydrophobicContact CD1-CB 3.94Å; Y720-K737 HydrophobicContact CD1-CG 4.31Å
738	R	97.1	Very high	96.8	Very high	113 Å²	113	36.1 Å²	36.1	43%	0.426	19%	0.187	S	C	.	.	S	Bend	trans	-128.6	-176.9	171.9	56.8	165.3	174.9	85	-8	110.2	N718 A736 E744	N718-R738 HydrophobicContact CB-CG 4.23Å; A736-R738 WeakPolarHBondContact CB-O 3.18Å; R738-E744 IonicContact CZ-OE2 3.18Å; R738-E744 VanDerWaalsContact NH1-CD 3.35Å; R738-E744 IonicContact NH1-OE1 3.04Å; R738-E744 PolarHBondContact NH1-OE1 3.09Å; R738-E744 IonicContact NH1-OE2 2.8Å; R738-E744 PolarHBondContact NH1-OE2 3.16Å; R738-E744 IonicContact NH2-OE2 2.67Å; R738-E744 PolarHBondContact NH2-OE2 3.1Å
739	A	97.8	Very high	96.6	Very high	64 Å²	64	39.2 Å²	39.2	53%	0.529	20%	0.204	S	C	.	.			trans	-68.8	142.1	162.4	0	0	0	0	0	109.2	V656	V656-A739 WeakPolarHBondContact O-CA 3.36Å
740	I	97.9	Very high	96.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-126	128.8	-178.6	-51.8	-179.9	0	0	0	107.9	I652 P655 V656 I662 N718 A736 E744 L746	I652-I740 HydrophobicContact CG2-CG2 3.81Å; P655-I740 CarbonylContact C-O 3.57Å; P655-I740 VanDerWaalsContact CA-O 3.26Å; P655-I740 WeakPolarHBondContact CA-O 3.41Å; V656-I740 PolarHBondContact N-O 3.12Å; V656-I740 PolarHBondContact O-N 3.38Å; I662-I740 HydrophobicContact CD1-CD1 4.1Å; N718-I740 HydrophobicContact CB-CD1 4.23Å; N718-I740 HydrophobicContact CB-CG1 4.41Å; A736-I740 HydrophobicContact CB-CD1 3.75Å; A736-I740 HydrophobicContact CB-CG1 4.12Å; I740-E744 WeakPolarHBondContact CA-OE1 3.45Å; I740-E744 HydrophobicContact CG2-CB 3.68Å; I740-E744 HydrophobicContact CG2-CG 4.16Å; I740-L746 HydrophobicContact CD1-CD2 3.84Å; I740-L746 HydrophobicContact CG2-CD2 4.07Å
741	L	97.5	Very high	95.3	Very high	118 Å²	118	49.5 Å²	49.5	62%	0.618	24%	0.241	S	C	*	.			trans	-81.7	163.7	179	-58	178	0	0	0	111.5	I652 G743 E744	I652-L741 VanDerWaalsContact CG2-O 3.23Å; I652-L741 WeakPolarHBondContact CG2-O 3.39Å; L741-G743 PolarHBondContact O-N 3.08Å; L741-E744 HydrophobicContact CB-CG 4.18Å; L741-E744 WeakPolarHBondContact CB-OE1 3.31Å; L741-E744 PolarHBondContact N-OE1 3.28Å; L741-E744 PolarHBondContact O-N 3.45Å
742	Q	97.4	Very high	93.9	Very high	139 Å²	139	51.4 Å²	51.4	65%	0.65	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	130.7	172.1	168.7	169.7	59.8	0	0	110.4	K653	K653-Q742 WeakPolarHBondContact O-CG 3.37Å; K653-Q742 PolarHBondContact O-NE2 3.38Å
743	G	96.1	Very high	92.2	Very high	44 Å²	44	54.2 Å²	54.2	45%	0.454	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-2.1	176.9	0	0	0	0	0	115.6	F651 I652 L741	F651-G743 WeakPolarHBondContact CD1-O 3.38Å; I652-G743 PolarHBondContact O-N 2.85Å; L741-G743 PolarHBondContact O-N 3.08Å
744	E	97.4	Very high	90	Very high	43 Å²	43	62.8 Å²	62.8	20%	0.201	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-68	140.1	172.3	-70.5	-169.2	-121.9	0	0	111.8	F651 I652 R738 I740 L741	F651-E744 WeakPolarHBondContact CA-O 3.44Å; I652-E744 PolarHBondContact N-O 3.13Å; R738-E744 IonicContact CZ-OE2 3.18Å; R738-E744 VanDerWaalsContact NH1-CD 3.35Å; R738-E744 IonicContact NH1-OE1 3.04Å; R738-E744 PolarHBondContact NH1-OE1 3.09Å; R738-E744 IonicContact NH1-OE2 2.8Å; R738-E744 PolarHBondContact NH1-OE2 3.16Å; R738-E744 IonicContact NH2-OE2 2.67Å; R738-E744 PolarHBondContact NH2-OE2 3.1Å; I740-E744 WeakPolarHBondContact CA-OE1 3.45Å; I740-E744 HydrophobicContact CG2-CB 3.68Å; I740-E744 HydrophobicContact CG2-CG 4.16Å; L741-E744 HydrophobicContact CB-CG 4.18Å; L741-E744 WeakPolarHBondContact CB-OE1 3.31Å; L741-E744 PolarHBondContact N-OE1 3.28Å; L741-E744 PolarHBondContact O-N 3.45Å
745	E	97.5	Very high	87.9	Confident	11 Å²	11	65.9 Å²	65.9	5%	0.051	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-67.3	142.3	166.1	-167.7	172.6	170.6	0	0	109.9	S643 D644 G649 F651 N712 N718 F747	S643-E745 VanDerWaalsContact CB-OE1 3.29Å; S643-E745 WeakPolarHBondContact CB-OE1 3.48Å; S643-E745 VanDerWaalsContact OG-CD 3.27Å; S643-E745 PolarHBondContact OG-OE1 3.16Å; S643-E745 PolarHBondContact OG-OE2 2.99Å; S643-E745 VanDerWaalsContact OG-OE2 3.08Å; D644-E745 PolarHBondContact N-OE2 3.03Å; D644-E745 VanDerWaalsContact N-OE2 3.16Å; G649-E745 VanDerWaalsContact CA-OE1 3.3Å; G649-E745 WeakPolarHBondContact CA-OE1 3.41Å; F651-E745 HydrophobicContact CD1-CB 3.76Å; F651-E745 HydrophobicContact CD1-CG 4.37Å; F651-E745 HydrophobicContact CE1-CB 3.52Å; F651-E745 HydrophobicContact CE1-CG 4.02Å; F651-E745 HydrophobicContact CE2-CG 4.31Å; F651-E745 HydrophobicContact CG-CB 4.46Å; F651-E745 HydrophobicContact CZ-CB 3.99Å; F651-E745 HydrophobicContact CZ-CG 3.97Å; N712-E745 PolarHBondContact ND2-OE1 3.41Å; N718-E745 PolarHBondContact ND2-O 3.35Å; E745-F747 HydrophobicContact CB-CD2 4.49Å; E745-F747 HydrophobicContact CB-CE2 3.65Å; E745-F747 HydrophobicContact CB-CZ 3.89Å; E745-F747 HydrophobicContact CG-CE1 4.26Å; E745-F747 HydrophobicContact CG-CE2 3.81Å; E745-F747 HydrophobicContact CG-CZ 3.65Å
746	L	97.7	Very high	86	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-98.7	126.2	-179.5	-59.1	-175.3	0	0	0	110.9	L638 T650 I652 I662 I708 A711 N712 I740	L638-L746 HydrophobicContact CD2-CD1 3.62Å; T650-L746 HydrophobicContact CG2-CB 4.1Å; T650-L746 HydrophobicContact CG2-CD1 4.35Å; T650-L746 PolarHBondContact O-N 3.42Å; I652-L746 HydrophobicContact CB-CD1 4.32Å; I652-L746 HydrophobicContact CB-CD2 4.1Å; I652-L746 HydrophobicContact CB-CG 4.38Å; I652-L746 HydrophobicContact CD1-CD1 4.34Å; I652-L746 HydrophobicContact CD1-CD2 4.37Å; I652-L746 HydrophobicContact CG2-CD2 4.39Å; I662-L746 HydrophobicContact CD1-CD1 4.39Å; I662-L746 HydrophobicContact CD1-CD2 4.5Å; I662-L746 HydrophobicContact CG2-CD1 3.81Å; I708-L746 HydrophobicContact CD1-CD1 3.78Å; A711-L746 CarbonylContact C-O 3.5Å; A711-L746 WeakPolarHBondContact CA-O 3.32Å; A711-L746 HydrophobicContact CB-CB 4.13Å; A711-L746 VanDerWaalsContact CB-O 3.3Å; A711-L746 WeakPolarHBondContact CB-O 3.19Å; N712-L746 PolarHBondContact N-O 3.02Å; I740-L746 HydrophobicContact CD1-CD2 3.84Å; I740-L746 HydrophobicContact CG2-CD2 4.07Å
747	F	95.9	Very high	84	Confident	38 Å²	38	68 Å²	68	17%	0.167	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.5	176.6	-57	-88.8	0	0	0	110.7	V645 N712 P717 N718 C719 E745	V645-F747 HydrophobicContact CG2-CE1 3.82Å; V645-F747 HydrophobicContact CG2-CZ 3.99Å; N712-F747 HydrophobicContact CB-CD1 3.65Å; N712-F747 HydrophobicContact CB-CE1 3.73Å; N712-F747 CarbonylContact O-C 3.57Å; N712-F747 WeakPolarHBondContact O-CA 3.47Å; P717-F747 HydrophobicContact CB-CB 4.32Å; P717-F747 VanDerWaalsContact CB-O 3.23Å; P717-F747 WeakPolarHBondContact CB-O 3.47Å; N718-F747 PolarHBondContact N-O 3.07Å; N718-F747 PolarHBondContact OD1-N 2.89Å; N718-F747 PolarHBondContact OD1-O 3.03Å; C719-F747 WeakPolarHBondContact CA-O 3.37Å; C719-F747 VanDerWaalsContact CB-O 3.22Å; C719-F747 WeakPolarHBondContact CB-O 3.35Å; C719-F747 PolarHBondContact N-O 3.2Å; E745-F747 HydrophobicContact CB-CD2 4.49Å; E745-F747 HydrophobicContact CB-CE2 3.65Å; E745-F747 HydrophobicContact CB-CZ 3.89Å; E745-F747 HydrophobicContact CG-CE1 4.26Å; E745-F747 HydrophobicContact CG-CE2 3.81Å; E745-F747 HydrophobicContact CG-CZ 3.65Å
748	F	94.3	Very high	81.9	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.009	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.2	167.8	69.9	-87.2	0	0	0	111.4	Y665 F691 A711 N712 H713 S714 P717 C719 A721 Y750	Y665-F748 HydrophobicContact CD2-CE1 4.5Å; Y665-F748 HydrophobicContact CD2-CZ 4.31Å; Y665-F748 HydrophobicContact CE2-CE1 4.3Å; Y665-F748 AromaticContact CE2-CZ 3.97Å; Y665-F748 HydrophobicContact CE2-CZ 3.97Å; F691-F748 HydrophobicContact CD2-CE2 4.12Å; F691-F748 HydrophobicContact CD2-CZ 4.47Å; F691-F748 HydrophobicContact CE2-CD2 4.41Å; F691-F748 AromaticContact CE2-CE2 3.72Å; F691-F748 HydrophobicContact CE2-CE2 3.72Å; F691-F748 HydrophobicContact CE2-CZ 4.42Å; A711-F748 HydrophobicContact CB-CD1 3.85Å; A711-F748 HydrophobicContact CB-CE1 3.95Å; A711-F748 VanDerWaalsContact O-CE1 3.24Å; A711-F748 WeakPolarHBondContact O-CE1 3.42Å; N712-F748 PolarHBondContact O-N 2.85Å; H713-F748 WeakPolarHBondContact CA-O 3.35Å; S714-F748 PolarHBondContact N-O 3.18Å; P717-F748 VanDerWaalsContact CB-CA 3.49Å; C719-F748 HydrophobicContact CB-CB 4.19Å; A721-F748 HydrophobicContact CB-CD2 4.48Å; F748-Y750 HydrophobicContact CD1-CE1 4.11Å; F748-Y750 AromaticContact CD2-CD1 3.72Å; F748-Y750 HydrophobicContact CD2-CD1 3.72Å; F748-Y750 HydrophobicContact CD2-CE1 4.04Å; F748-Y750 HydrophobicContact CE1-CD1 4.32Å; F748-Y750 AromaticContact CE1-CE1 3.66Å; F748-Y750 HydrophobicContact CE1-CE1 3.66Å; F748-Y750 AromaticContact CE2-CD1 3.37Å; F748-Y750 HydrophobicContact CE2-CD1 3.37Å; F748-Y750 AromaticContact CE2-CE1 3.56Å; F748-Y750 HydrophobicContact CE2-CE1 3.56Å; F748-Y750 HydrophobicContact CE2-CG 4.27Å; F748-Y750 HydrophobicContact CG-CD1 4.32Å; F748-Y750 HydrophobicContact CG-CE1 4.29Å; F748-Y750 AromaticContact CZ-CD1 3.72Å; F748-Y750 HydrophobicContact CZ-CD1 3.72Å; F748-Y750 AromaticContact CZ-CE1 3.35Å; F748-Y750 HydrophobicContact CZ-CE1 3.35Å; F748-Y750 VanDerWaalsContact O-CD1 3.31Å; F748-Y750 WeakPolarHBondContact O-CD1 3.33Å; F748-Y750 PolarHBondContact O-N 3.14Å
749	D	89.7	Confident	80	Confident	65 Å²	65	70.6 Å²	70.6	35%	0.348	37%	0.371	S	S	.	.			trans	-74.8	119.7	175.3	169.4	24.7	0	0	0	109.5	H713 P717 R751	H713-D749 IonicContact CE1-OD1 2.77Å; P717-D749 HydrophobicContact CG-CB 3.99Å; D749-R751 VanDerWaalsContact C-N 3.31Å; D749-R751 WeakPolarHBondContact OD1-CA 3.27Å; D749-R751 PolarHBondContact OD1-N 3.44Å; D749-R751 WeakPolarHBondContact OD2-CG 3.48Å
750	Y	86.2	Confident	78	Confident	56 Å²	56	69.6 Å²	69.6	22%	0.22	35%	0.354	C	S	.	.			trans	-81.2	-13.4	179.8	-71.4	22.2	0	0	0	112	A711 H713 F748 Y752	A711-Y750 PolarHBondContact O-OH 3.08Å; H713-Y750 HydrophobicContact CB-CD1 3.9Å; H713-Y750 HydrophobicContact CB-CD2 4.22Å; H713-Y750 HydrophobicContact CB-CE1 4.01Å; H713-Y750 HydrophobicContact CB-CE2 4.32Å; H713-Y750 HydrophobicContact CB-CG 4.01Å; H713-Y750 WeakPolarHBondContact ND1-CB 3.21Å; H713-Y750 AromaticContact ND1-CD1 3.77Å; H713-Y750 AromaticContact ND1-CG 3.57Å; H713-Y750 PolarHBondContact ND1-N 3.25Å; H713-Y750 VanDerWaalsContact ND1-N 3.18Å; F748-Y750 HydrophobicContact CD1-CE1 4.11Å; F748-Y750 AromaticContact CD2-CD1 3.72Å; F748-Y750 HydrophobicContact CD2-CD1 3.72Å; F748-Y750 HydrophobicContact CD2-CE1 4.04Å; F748-Y750 HydrophobicContact CE1-CD1 4.32Å; F748-Y750 AromaticContact CE1-CE1 3.66Å; F748-Y750 HydrophobicContact CE1-CE1 3.66Å; F748-Y750 AromaticContact CE2-CD1 3.37Å; F748-Y750 HydrophobicContact CE2-CD1 3.37Å; F748-Y750 AromaticContact CE2-CE1 3.56Å; F748-Y750 HydrophobicContact CE2-CE1 3.56Å; F748-Y750 HydrophobicContact CE2-CG 4.27Å; F748-Y750 HydrophobicContact CG-CD1 4.32Å; F748-Y750 HydrophobicContact CG-CE1 4.29Å; F748-Y750 AromaticContact CZ-CD1 3.72Å; F748-Y750 HydrophobicContact CZ-CD1 3.72Å; F748-Y750 AromaticContact CZ-CE1 3.35Å; F748-Y750 HydrophobicContact CZ-CE1 3.35Å; F748-Y750 VanDerWaalsContact O-CD1 3.31Å; F748-Y750 WeakPolarHBondContact O-CD1 3.33Å; F748-Y750 PolarHBondContact O-N 3.14Å; Y750-Y752 VanDerWaalsContact C-N 3.29Å; Y750-Y752 HydrophobicContact CD2-CE1 4.45Å; Y750-Y752 AromaticContact CD2-CE2 3.65Å; Y750-Y752 HydrophobicContact CD2-CE2 3.65Å; Y750-Y752 AromaticContact CD2-CZ 3.6Å; Y750-Y752 WeakPolarHBondContact CD2-OH 3.5Å; Y750-Y752 HydrophobicContact CG-CE2 4.16Å; Y750-Y752 PolarHBondContact O-N 3.46Å
751	R	78.9	Confident	76	Confident	200 Å²	200	71.5 Å²	71.5	76%	0.755	37%	0.366	S	S	*	.			trans	56.3	38.9	-176.6	-52.7	179.1	-178.2	-179.7	2.7	113.9	D749	D749-R751 VanDerWaalsContact C-N 3.31Å; D749-R751 WeakPolarHBondContact OD1-CA 3.27Å; D749-R751 PolarHBondContact OD1-N 3.44Å; D749-R751 WeakPolarHBondContact OD2-CG 3.48Å
752	Y	67.6	Low	73.6	Confident	59 Å²	59	69.3 Å²	69.3	23%	0.231	37%	0.371	C	S	.	.			trans	-50.2	146.1	166.7	-72.2	-55.7	0	0	0	110.5	Y750 D756 Y760	Y750-Y752 VanDerWaalsContact C-N 3.29Å; Y750-Y752 HydrophobicContact CD2-CE1 4.45Å; Y750-Y752 AromaticContact CD2-CE2 3.65Å; Y750-Y752 HydrophobicContact CD2-CE2 3.65Å; Y750-Y752 AromaticContact CD2-CZ 3.6Å; Y750-Y752 WeakPolarHBondContact CD2-OH 3.5Å; Y750-Y752 HydrophobicContact CG-CE2 4.16Å; Y750-Y752 PolarHBondContact O-N 3.46Å; Y752-D756 HydrophobicContact CD1-CB 4.24Å; Y752-Y760 HydrophobicContact CD1-CD2 4.18Å; Y752-Y760 AromaticContact CE1-CD2 3.8Å; Y752-Y760 HydrophobicContact CE1-CD2 3.8Å; Y752-Y760 HydrophobicContact CE1-CE2 4.07Å; Y752-Y760 HydrophobicContact CE1-CG 4.28Å; Y752-Y760 HydrophobicContact CE2-CD2 4.36Å; Y752-Y760 HydrophobicContact CE2-CG 4.22Å; Y752-Y760 AromaticContact CZ-CD2 3.87Å; Y752-Y760 AromaticContact CZ-CG 3.88Å
753	S	59.3	Low	71.3	Confident	59 Å²	59	66.9 Å²	66.9	41%	0.413	36%	0.362	S	S	.	.			trans	-60.3	157.4	167.2	89.4	0	0	0	0	109.2	A755 D756 A757	S753-A755 PolarHBondContact O-N 2.95Å; S753-A755 VanDerWaalsContact O-N 3.12Å; S753-A755 PolarHBondContact OG-N 3.15Å; S753-D756 WeakPolarHBondContact CB-OD2 3.46Å; S753-D756 PolarHBondContact O-N 2.94Å; S753-D756 PolarHBondContact OG-N 3.23Å; S753-D756 PolarHBondContact OG-OD2 3.1Å; S753-A757 PolarHBondContact O-N 3.04Å
754	Q	51.8	Low	68.8	Low	180 Å²	180	69.4 Å²	69.4	84%	0.841	36%	0.362	S	S	*	.	H	α-helix	trans	-58.4	-26.6	177	-77	179.6	-25.9	0	0	112.8	L758	Q754-L758 WeakPolarHBondContact O-CD1 3.49Å
755	A	54.2	Low	66	Low	64 Å²	64	77.2 Å²	77.2	53%	0.529	39%	0.389	S	S	.	.	H	α-helix	trans	-76.1	-30.6	176.4	0	0	0	0	0	113	S753	S753-A755 PolarHBondContact O-N 2.95Å; S753-A755 VanDerWaalsContact O-N 3.12Å; S753-A755 PolarHBondContact OG-N 3.15Å
756	D	57.1	Low	63.1	Low	44 Å²	44	86.3 Å²	86.3	24%	0.235	43%	0.432	C	S	.	.	H	α-helix	trans	-90.6	-34	-177.8	-54.6	-51.2	0	0	0	111.9	Y752 S753 L758 K759 Y760	Y752-D756 HydrophobicContact CD1-CB 4.24Å; S753-D756 WeakPolarHBondContact CB-OD2 3.46Å; S753-D756 PolarHBondContact O-N 2.94Å; S753-D756 PolarHBondContact OG-N 3.23Å; S753-D756 PolarHBondContact OG-OD2 3.1Å; D756-L758 PolarHBondContact O-N 3.04Å; D756-L758 VanDerWaalsContact O-N 3.16Å; D756-K759 WeakPolarHBondContact O-CB 3.42Å; D756-K759 PolarHBondContact O-N 2.99Å; D756-K759 IonicContact OD1-NZ 3.93Å; D756-K759 PolarHBondContact OD1-NZ 3.45Å; D756-Y760 HydrophobicContact CB-CD2 4.2Å; D756-Y760 HydrophobicContact CB-CE2 4.25Å; D756-Y760 VanDerWaalsContact O-CD2 3.24Å; D756-Y760 WeakPolarHBondContact O-CD2 3.38Å; D756-Y760 PolarHBondContact O-N 2.96Å; D756-Y760 VanDerWaalsContact O-N 3.13Å
757	A	55.8	Low	60.3	Low	30 Å²	30	91.9 Å²	91.9	25%	0.248	47%	0.465	C	S	.	.	H	α-helix	trans	-53.4	-38.1	174.5	0	0	0	0	0	112	S753 K759 Y760 V761	S753-A757 PolarHBondContact O-N 3.04Å; A757-K759 VanDerWaalsContact C-N 3.3Å; A757-K759 PolarHBondContact O-N 3.25Å; A757-Y760 PolarHBondContact O-N 3.24Å; A757-V761 VanDerWaalsContact O-CB 3.32Å; A757-V761 WeakPolarHBondContact O-CB 3.42Å; A757-V761 WeakPolarHBondContact O-CG2 3.35Å; A757-V761 PolarHBondContact O-N 3.05Å
758	L	53.7	Low	57.5	Low	152 Å²	152	97.4 Å²	97.4	80%	0.796	50%	0.497	S	S	*	.	H	α-helix	trans	-66.9	-24.1	176	-71.7	167	0	0	0	114.3	Q754 D756	Q754-L758 WeakPolarHBondContact O-CD1 3.49Å; D756-L758 PolarHBondContact O-N 3.04Å; D756-L758 VanDerWaalsContact O-N 3.16Å
759	K	55.8	Low	54.4	Low	113 Å²	113	106.2 Å²	106.2	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-83.3	-40.8	176.7	-58	171.7	-171.3	158.4	0	111.7	M686 D756 A757	M686-K759 HydrophobicContact SD-CB 4.4Å; D756-K759 WeakPolarHBondContact O-CB 3.42Å; D756-K759 PolarHBondContact O-N 2.99Å; D756-K759 IonicContact OD1-NZ 3.93Å; D756-K759 PolarHBondContact OD1-NZ 3.45Å; A757-K759 VanDerWaalsContact C-N 3.3Å; A757-K759 PolarHBondContact O-N 3.25Å
760	Y	56	Low	51.7	Low	43 Å²	43	113.4 Å²	113.4	17%	0.169	59%	0.587	C	S	.	*	H	α-helix	trans	-94.5	-24.5	-169.4	-70.6	-74.7	0	0	0	114.6	D683 M686 Y752 D756 A757	D683-Y760 WeakPolarHBondContact CA-OH 3.5Å; D683-Y760 PolarHBondContact OD1-OH 3.15Å; M686-Y760 HydrophobicContact CB-CE1 4.49Å; Y752-Y760 HydrophobicContact CD1-CD2 4.18Å; Y752-Y760 AromaticContact CE1-CD2 3.8Å; Y752-Y760 HydrophobicContact CE1-CD2 3.8Å; Y752-Y760 HydrophobicContact CE1-CE2 4.07Å; Y752-Y760 HydrophobicContact CE1-CG 4.28Å; Y752-Y760 HydrophobicContact CE2-CD2 4.36Å; Y752-Y760 HydrophobicContact CE2-CG 4.22Å; Y752-Y760 AromaticContact CZ-CD2 3.87Å; Y752-Y760 AromaticContact CZ-CG 3.88Å; D756-Y760 HydrophobicContact CB-CD2 4.2Å; D756-Y760 HydrophobicContact CB-CE2 4.25Å; D756-Y760 VanDerWaalsContact O-CD2 3.24Å; D756-Y760 WeakPolarHBondContact O-CD2 3.38Å; D756-Y760 PolarHBondContact O-N 2.96Å; D756-Y760 VanDerWaalsContact O-N 3.13Å; A757-Y760 PolarHBondContact O-N 3.24Å
761	V	55.8	Low	50	Low	42 Å²	42	116.3 Å²	116.3	26%	0.255	61%	0.605	S	S	.	*			trans	-112.1	66.1	-171.6	-165.2	0	0	0	0	110.6	H713 A757 I763 E764	H713-V761 WeakPolarHBondContact CD2-CG2 3.38Å; A757-V761 VanDerWaalsContact O-CB 3.32Å; A757-V761 WeakPolarHBondContact O-CB 3.42Å; A757-V761 WeakPolarHBondContact O-CG2 3.35Å; A757-V761 PolarHBondContact O-N 3.05Å; V761-I763 VanDerWaalsContact C-N 3.27Å; V761-I763 PolarHBondContact O-N 3.35Å; V761-E764 HydrophobicContact CG1-CG 4.3Å
762	G	48	Very low	48.4	Very low	71 Å²	71	111.9 Å²	111.9	73%	0.732	60%	0.598	S	S	*	*			trans	-72	-10.1	-175.4	0	0	0	0	0	116.1
763	I	48.9	Very low	47.4	Very low	89 Å²	89	114.8 Å²	114.8	46%	0.456	62%	0.618	S	S	.	*			trans	-148.5	65.6	-170.4	-40	178.5	0	0	0	112.8	V761 R765	V761-I763 VanDerWaalsContact C-N 3.27Å; V761-I763 PolarHBondContact O-N 3.35Å; I763-R765 HydrophobicContact CG2-CB 4.37Å; I763-R765 HydrophobicContact CG2-CG 3.72Å; I763-R765 PolarHBondContact O-N 2.94Å
764	E	42.8	Very low	46.7	Very low	96 Å²	96	118.1 Å²	118.1	45%	0.449	63%	0.63	S	S	.	*			trans	-86.1	92.9	144.1	-76.9	-163	174.1	0	0	106.8	S714 V715 V761	S714-E764 WeakPolarHBondContact CB-OE1 3.42Å; S714-E764 PolarHBondContact OG-OE1 3.24Å; V715-E764 VanDerWaalsContact CG2-OE2 3.3Å; V715-E764 WeakPolarHBondContact CG2-OE2 3.44Å; V715-E764 PolarHBondContact N-OE1 3.48Å; V761-E764 HydrophobicContact CG1-CG 4.3Å
765	R	38.3	Very low	46.3	Very low	208 Å²	208	114.3 Å²	114.3	79%	0.785	62%	0.617	S	S	*	*			trans	-65	147.7	179.9	-101.2	172.5	-175.9	177.4	2.4	111.2	I763 V767	I763-R765 HydrophobicContact CG2-CB 4.37Å; I763-R765 HydrophobicContact CG2-CG 3.72Å; I763-R765 PolarHBondContact O-N 2.94Å; R765-V767 VanDerWaalsContact C-N 3.31Å; R765-V767 PolarHBondContact O-N 3.06Å
766	E	36.4	Very low	45.8	Very low	201 Å²	201	117.6 Å²	117.6	94%	0.939	62%	0.623	S	S	*	*			trans	-57	80.9	175.3	-58	167.6	137.3	0	0	112.5
767	V	40.3	Very low	45	Very low	117 Å²	117	122.9 Å²	122.9	71%	0.709	65%	0.65	S	S	*	*			trans	-128.2	80.8	172.9	-169.1	0	0	0	0	108.4	R765	R765-V767 VanDerWaalsContact C-N 3.31Å; R765-V767 PolarHBondContact O-N 3.06Å
768	D	36.6	Very low	44.2	Very low	154 Å²	154	130 Å²	130	82%	0.824	68%	0.681	S	S	*	*	S	Bend	trans	164.2	57.1	149.2	-83.6	-12.1	0	0	0	111
769	M	30.1	Very low	43.4	Very low	188 Å²	188	128.2 Å²	128.2	93%	0.926	67%	0.672	S	S	*	*			trans	-144.5	54.2	164.8	-77.4	-155.6	-66.5	0	0	112.5
770	T	31.9	Very low	42.3	Very low	216 Å²	216	129.5 Å²	129.5	100%	1.325	69%	0.688	S	S	*	*			trans	-145.6	0	163.2	52.9	0	0	0	0	110.6

Retrieved 770 of 770 residues in 860.1 ms (Link to these results)

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