A0A096M8K6_POEFO Loading...

Voltage-dependent L-type calcium channel subunit beta-2

Beta subunit of voltage-dependent calcium channels which contributes to the function of the calcium channel by increasing peak calcium current. Plays a role in shifting voltage dependencies of activation and inactivation of the channel. May modulate G protein inhibition. May contribute to beta-adrenergic augmentation of Ca(2+) influx in cardiomyocytes, thereby regulating increases in heart rate and contractile force. Involved in membrane targeting of the alpha-1 subunit CACNA1C.

AlphaFold DB , UniProt , Accession A0A096M8K6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 655 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	34	Very low	37.3	Very low	220 Å²	220	148.5 Å²	148.5	100%	1.084	78%	0.775	S	S	*	*				0	111.6	0	-60.2	177.7	-174.4	0	0	105.1
2	F	34.9	Very low	37.1	Very low	162 Å²	162	142.6 Å²	142.6	71%	0.711	78%	0.776	S	S	*	*				65	123.8	84.7	-61.1	-49.7	0	0	0	110.5
3	Y	35.4	Very low	37.3	Very low	198 Å²	198	141 Å²	141	78%	0.776	78%	0.782	S	S	*	*			cis	-164.2	167.2	9.3	-101.7	-45	0	0	0	108.6
4	S	38.3	Very low	38	Very low	84 Å²	84	137.2 Å²	137.2	59%	0.587	78%	0.778	S	S	*	*			cis	-167.7	173.9	-9.8	-165.8	0	0	0	0	111
5	T	38.2	Very low	38.3	Very low	115 Å²	115	138.3 Å²	138.3	71%	0.706	78%	0.781	S	S	*	*			trans	19	123.9	143.9	50.3	0	0	0	0	120.2
6	S	39.4	Very low	39	Very low	89 Å²	89	137.4 Å²	137.4	62%	0.622	79%	0.786	S	S	*	*				120.3	160.5	77.9	-84.4	0	0	0	0	108.5
7	E	37.9	Very low	39.2	Very low	159 Å²	159	141.4 Å²	141.4	74%	0.743	79%	0.787	S	S	*	*			cis	-154.9	150.1	1.7	-122.8	132.7	-153	0	0	111
8	E	38.7	Very low	39.9	Very low	173 Å²	173	140.3 Å²	140.3	81%	0.808	79%	0.786	S	S	*	*			trans	53.3	112.9	132	-153.4	170.8	-170.6	0	0	121.7
9	S	34.6	Very low	40.6	Very low	112 Å²	112	137.4 Å²	137.4	78%	0.783	78%	0.775	S	S	*	*				164.2	164.4	92.1	46.6	0	0	0	0	108.2
10	D	37.5	Very low	41.4	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	78%	0.776	S	S	*	*			cis	-148.2	-176.9	-1.6	-154.6	-16.8	0	0	0	109.8
11	L	41	Very low	41.9	Very low	170 Å²	170	139.2 Å²	139.2	89%	0.89	77%	0.771	S	S	*	*			trans	-70.6	142.8	-177.5	-66.7	151.4	0	0	0	114.7
12	G	35.6	Very low	42.7	Very low	77 Å²	77	132.2 Å²	132.2	79%	0.794	74%	0.744	S	S	*	*			trans	-159.5	126.8	171.7	0	0	0	0	0	113.1
13	S	39.6	Very low	43.6	Very low	122 Å²	122	130.7 Å²	130.7	85%	0.853	74%	0.743	S	S	*	*			trans	-61.2	160.8	-167.6	-59.7	0	0	0	0	116.7
14	A	47.1	Very low	44.5	Very low	88 Å²	88	125 Å²	125	73%	0.727	73%	0.733	S	S	*	*			trans	-62.2	143.4	157.4	0	0	0	0	0	111.4
15	D	42.3	Very low	45.2	Very low	154 Å²	154	126 Å²	126	82%	0.824	73%	0.731	S	S	*	*				-174.8	105.2	124.5	-95	-21.5	0	0	0	110.3	Y17	D15-Y17 VanDerWaalsContact C-N 3.27Å; D15-Y17 PolarHBondContact O-N 2.74Å
16	S	49.3	Very low	46.2	Very low	123 Å²	123	124.4 Å²	124.4	86%	0.86	72%	0.721	S	S	*	*			trans	-79.6	73.1	177.5	-63.6	0	0	0	0	110.9	T18	S16-T18 PolarHBondContact O-N 2.71Å
17	Y	42.3	Very low	47.1	Very low	205 Å²	205	122.9 Å²	122.9	80%	0.804	71%	0.711	S	S	*	*			trans	-72.5	73.3	177.1	-156.9	-89.3	0	0	0	111.6	D15 S19	D15-Y17 VanDerWaalsContact C-N 3.27Å; D15-Y17 PolarHBondContact O-N 2.74Å; Y17-S19 WeakPolarHBondContact CD1-OG 3.43Å; Y17-S19 VanDerWaalsContact CE1-OG 3.3Å; Y17-S19 WeakPolarHBondContact CE1-OG 3.49Å; Y17-S19 PolarHBondContact O-N 3.25Å; Y17-S19 VanDerWaalsContact O-N 3.1Å
18	T	52.1	Low	48.4	Very low	123 Å²	123	119.9 Å²	119.9	76%	0.755	70%	0.699	S	S	*	*			trans	-71.3	97.8	161.8	177.6	0	0	0	0	107.9	S16 R20	S16-T18 PolarHBondContact O-N 2.71Å; T18-R20 PolarHBondContact O-N 2.98Å
19	S	54	Low	49.5	Very low	84 Å²	84	116.6 Å²	116.6	59%	0.587	68%	0.684	S	S	*	*			trans	-58.8	101.1	174	-58.1	0	0	0	0	109.7	Y17	Y17-S19 WeakPolarHBondContact CD1-OG 3.43Å; Y17-S19 VanDerWaalsContact CE1-OG 3.3Å; Y17-S19 WeakPolarHBondContact CE1-OG 3.49Å; Y17-S19 PolarHBondContact O-N 3.25Å; Y17-S19 VanDerWaalsContact O-N 3.1Å
20	R	56.5	Low	51.1	Low	208 Å²	208	118 Å²	118	79%	0.785	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-58.3	127.8	159.5	-66.2	178.1	73.2	-172.9	0.5	106.6	T18 S22	T18-R20 PolarHBondContact O-N 2.98Å; R20-S22 PolarHBondContact O-N 2.98Å
21	P	51.6	Low	53	Low	105 Å²	105	115.5 Å²	115.5	68%	0.682	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-59.7	131.5	164.4	27.2	-32.5	0	0	0	107.5	D23	P21-D23 PolarHBondContact O-N 3.1Å
22	S	49.7	Very low	55	Low	74 Å²	74	113 Å²	113	52%	0.517	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-69.4	131.3	179.7	-61.4	0	0	0	0	109.8	R20 S24 D25	R20-S22 PolarHBondContact O-N 2.98Å; S22-S24 WeakPolarHBondContact CB-OG 3.26Å; S22-S24 PolarHBondContact O-N 3.46Å; S22-D25 PolarHBondContact O-N 3.05Å
23	D	54.6	Low	57.3	Low	129 Å²	129	112.4 Å²	112.4	69%	0.69	62%	0.623	S	S	*	*	H	α-helix	trans	-55.6	-21.4	176.2	-69.5	-65.1	0	0	0	113	P21 V26 S27	P21-D23 PolarHBondContact O-N 3.1Å; D23-V26 VanDerWaalsContact O-CG2 3.24Å; D23-V26 WeakPolarHBondContact O-CG2 3.43Å; D23-S27 PolarHBondContact O-N 3.33Å
24	S	53.6	Low	59.5	Low	80 Å²	80	108.6 Å²	108.6	56%	0.559	60%	0.599	S	S	*	*	H	α-helix	trans	-68.7	-27.7	173.6	59.1	0	0	0	0	114.9	S22 L28	S22-S24 WeakPolarHBondContact CB-OG 3.26Å; S22-S24 PolarHBondContact O-N 3.46Å; S24-L28 WeakPolarHBondContact O-CG 3.46Å
25	D	54.3	Low	61.5	Low	104 Å²	104	107.3 Å²	107.3	56%	0.556	59%	0.588	S	S	*	*	H	α-helix	trans	-84.1	-42.6	-174.2	-150.9	23.1	0	0	0	110.3	S22 S27 L28 E29	S22-D25 PolarHBondContact O-N 3.05Å; D25-S27 VanDerWaalsContact C-N 3.31Å; D25-S27 PolarHBondContact O-N 3.48Å; D25-L28 PolarHBondContact O-N 3.36Å; D25-E29 PolarHBondContact O-N 3.03Å; D25-E29 VanDerWaalsContact O-N 3.15Å
26	V	57.8	Low	63.7	Low	81 Å²	81	106.5 Å²	106.5	49%	0.491	57%	0.574	S	S	.	*	H	α-helix	trans	-61.2	-37.7	172.5	-64.2	0	0	0	0	112.1	D23 L28 E29 E30	D23-V26 VanDerWaalsContact O-CG2 3.24Å; D23-V26 WeakPolarHBondContact O-CG2 3.43Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.09Å; V26-E29 PolarHBondContact O-N 3.2Å; V26-E30 WeakPolarHBondContact O-CB 3.4Å; V26-E30 PolarHBondContact O-N 3.42Å
27	S	60.2	Low	65.6	Low	58 Å²	58	106.8 Å²	106.8	41%	0.406	56%	0.556	S	S	.	*	H	α-helix	trans	-63.1	-36.5	175.8	-172.6	0	0	0	0	112.9	D23 D25 D31	D23-S27 PolarHBondContact O-N 3.33Å; D25-S27 VanDerWaalsContact C-N 3.31Å; D25-S27 PolarHBondContact O-N 3.48Å; S27-D31 PolarHBondContact O-N 3.2Å
28	L	63.5	Low	68	Low	96 Å²	96	100.4 Å²	100.4	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-78.3	-28.9	-179.4	-70.9	174.3	0	0	0	112.7	S24 D25 V26 K32	S24-L28 WeakPolarHBondContact O-CG 3.46Å; D25-L28 PolarHBondContact O-N 3.36Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.09Å; L28-K32 WeakPolarHBondContact O-CD 3.35Å; L28-K32 WeakPolarHBondContact O-CE 3.44Å; L28-K32 WeakPolarHBondContact O-CG 3.16Å; L28-K32 PolarHBondContact O-N 2.73Å
29	E	62.3	Low	70	Confident	104 Å²	104	97.2 Å²	97.2	49%	0.486	52%	0.519	S	S	.	.	H	α-helix	trans	-74.9	-37	168.2	-67.2	-54.5	132.3	0	0	111.7	D25 V26 K32 E33	D25-E29 PolarHBondContact O-N 3.03Å; D25-E29 VanDerWaalsContact O-N 3.15Å; V26-E29 PolarHBondContact O-N 3.2Å; E29-K32 PolarHBondContact O-N 2.82Å; E29-K32 IonicContact OE1-NZ 2.72Å; E29-K32 PolarHBondContact OE1-NZ 3.4Å; E29-E33 VanDerWaalsContact O-CB 3.22Å; E29-E33 WeakPolarHBondContact O-CB 3.18Å; E29-E33 PolarHBondContact O-N 3.24Å
30	E	68.1	Low	71.9	Confident	140 Å²	140	96.3 Å²	96.3	65%	0.654	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-41.3	174.5	-172	168	-173.2	0	0	111.9	V26 K32 E33 A34	V26-E30 WeakPolarHBondContact O-CB 3.4Å; V26-E30 PolarHBondContact O-N 3.42Å; E30-K32 PolarHBondContact O-N 2.61Å; E30-E33 PolarHBondContact O-N 3.42Å; E30-A34 VanDerWaalsContact O-CB 3.22Å; E30-A34 WeakPolarHBondContact O-CB 3.43Å; E30-A34 PolarHBondContact O-N 3.07Å
31	D	76.9	Confident	73.7	Confident	101 Å²	101	93 Å²	93	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-61.4	-41.5	173.1	-83.8	-25.8	0	0	0	112.5	S27 A35	S27-D31 PolarHBondContact O-N 3.2Å; D31-A35 VanDerWaalsContact O-CB 3.29Å; D31-A35 WeakPolarHBondContact O-CB 3.39Å; D31-A35 PolarHBondContact O-N 3.13Å
32	K	83.2	Confident	75.8	Confident	118 Å²	118	93.5 Å²	93.5	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-67.1	-43.3	176.5	-69.4	164.4	-161.6	169.9	0	111.8	L28 E29 E30 A35 R36	L28-K32 WeakPolarHBondContact O-CD 3.35Å; L28-K32 WeakPolarHBondContact O-CE 3.44Å; L28-K32 WeakPolarHBondContact O-CG 3.16Å; L28-K32 PolarHBondContact O-N 2.73Å; E29-K32 PolarHBondContact O-N 2.82Å; E29-K32 IonicContact OE1-NZ 2.72Å; E29-K32 PolarHBondContact OE1-NZ 3.4Å; E30-K32 PolarHBondContact O-N 2.61Å; K32-A35 PolarHBondContact O-N 3.38Å; K32-R36 PolarHBondContact O-N 3.44Å
33	E	84.1	Confident	78.1	Confident	63 Å²	63	90 Å²	90	29%	0.294	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-43	177.3	173.5	61.6	-144.4	0	0	111	E29 E30 R36 R37	E29-E33 VanDerWaalsContact O-CB 3.22Å; E29-E33 WeakPolarHBondContact O-CB 3.18Å; E29-E33 PolarHBondContact O-N 3.24Å; E30-E33 PolarHBondContact O-N 3.42Å; E33-R36 PolarHBondContact O-N 3.42Å; E33-R36 IonicContact OE1-CZ 2.68Å; E33-R36 IonicContact OE1-NH2 3.4Å; E33-R36 PolarHBondContact OE1-NH2 2.91Å; E33-R36 IonicContact OE2-CZ 2.65Å; E33-R36 IonicContact OE2-NH1 3.66Å; E33-R36 PolarHBondContact OE2-NH1 2.88Å; E33-R36 IonicContact OE2-NH2 2.74Å; E33-R36 PolarHBondContact OE2-NH2 2.99Å; E33-R37 WeakPolarHBondContact O-CB 3.24Å; E33-R37 PolarHBondContact O-N 3.45Å; E33-R37 IonicContact OE1-CZ 2.73Å; E33-R37 IonicContact OE1-NE 1.82Å; E33-R37 IonicContact OE1-NH2 3.72Å; E33-R37 PolarHBondContact OE1-NH2 2.99Å
34	A	86.8	Confident	80.1	Confident	43 Å²	43	86.5 Å²	86.5	36%	0.355	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-44.3	173.1	0	0	0	0	0	111.7	E30 R36 R37 E38	E30-A34 VanDerWaalsContact O-CB 3.22Å; E30-A34 WeakPolarHBondContact O-CB 3.43Å; E30-A34 PolarHBondContact O-N 3.07Å; A34-R36 PolarHBondContact O-N 3.46Å; A34-R37 PolarHBondContact O-N 2.74Å; A34-E38 WeakPolarHBondContact O-CB 3.17Å; A34-E38 PolarHBondContact O-N 2.8Å
35	A	89.1	Confident	82.1	Confident	60 Å²	60	85.7 Å²	85.7	50%	0.496	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-38.1	176.1	0	0	0	0	0	112.7	D31 K32 E38 A39	D31-A35 VanDerWaalsContact O-CB 3.29Å; D31-A35 WeakPolarHBondContact O-CB 3.39Å; D31-A35 PolarHBondContact O-N 3.13Å; K32-A35 PolarHBondContact O-N 3.38Å; A35-E38 PolarHBondContact O-N 3.15Å; A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 3.29Å
36	R	87.6	Confident	84.1	Confident	137 Å²	137	83.5 Å²	83.5	52%	0.517	43%	0.426	S	S	.	.	H	α-helix	trans	-65.1	-46.4	173.9	-166	-176.3	73.5	-105.4	-8.6	111.1	K32 E33 A34 E38 A39 E40	K32-R36 PolarHBondContact O-N 3.44Å; E33-R36 PolarHBondContact O-N 3.42Å; E33-R36 IonicContact OE1-CZ 2.68Å; E33-R36 IonicContact OE1-NH2 3.4Å; E33-R36 PolarHBondContact OE1-NH2 2.91Å; E33-R36 IonicContact OE2-CZ 2.65Å; E33-R36 IonicContact OE2-NH1 3.66Å; E33-R36 PolarHBondContact OE2-NH1 2.88Å; E33-R36 IonicContact OE2-NH2 2.74Å; E33-R36 PolarHBondContact OE2-NH2 2.99Å; A34-R36 PolarHBondContact O-N 3.46Å; R36-E38 VanDerWaalsContact C-N 3.29Å; R36-E38 PolarHBondContact O-N 3.25Å; R36-A39 PolarHBondContact O-N 3.24Å; R36-E40 WeakPolarHBondContact O-CB 3.23Å; R36-E40 PolarHBondContact O-N 2.94Å
37	R	90.1	Very high	85.9	Confident	130 Å²	130	79.6 Å²	79.6	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-31.4	178.3	-164.8	-178.8	-58.3	126.1	-0.3	112.9	E33 A34 R41	E33-R37 WeakPolarHBondContact O-CB 3.24Å; E33-R37 PolarHBondContact O-N 3.45Å; E33-R37 IonicContact OE1-CZ 2.73Å; E33-R37 IonicContact OE1-NE 1.82Å; E33-R37 IonicContact OE1-NH2 3.72Å; E33-R37 PolarHBondContact OE1-NH2 2.99Å; A34-R37 PolarHBondContact O-N 2.74Å; R37-R41 WeakPolarHBondContact O-CB 3.48Å; R37-R41 PolarHBondContact O-N 3.42Å; R37-R41 VanDerWaalsContact O-N 3.15Å
38	E	92.8	Very high	87.5	Confident	71 Å²	71	80 Å²	80	33%	0.332	40%	0.401	S	S	.	.	H	α-helix	trans	-66.6	-49.9	170.9	-177.4	57	-130.4	0	0	111.1	A34 A35 R36 E40 R41 Q42	A34-E38 WeakPolarHBondContact O-CB 3.17Å; A34-E38 PolarHBondContact O-N 2.8Å; A35-E38 PolarHBondContact O-N 3.15Å; R36-E38 VanDerWaalsContact C-N 3.29Å; R36-E38 PolarHBondContact O-N 3.25Å; E38-E40 PolarHBondContact O-N 3.39Å; E38-R41 PolarHBondContact O-N 3.42Å; E38-R41 IonicContact OE1-CZ 2.71Å; E38-R41 IonicContact OE1-NH1 2.89Å; E38-R41 PolarHBondContact OE1-NH1 3.4Å; E38-R41 IonicContact OE2-CZ 3.56Å; E38-R41 IonicContact OE2-NH1 3.18Å; E38-R41 PolarHBondContact OE2-NH1 3.37Å; E38-R41 IonicContact OE2-NH2 2.7Å; E38-R41 PolarHBondContact OE2-NH2 3.12Å; E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 3.29Å; E38-Q42 PolarHBondContact OE1-NE2 3.37Å
39	A	92.5	Very high	89	Confident	55 Å²	55	82.5 Å²	82.5	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-40.6	177.8	0	0	0	0	0	112.7	A35 R36 Q42 A43	A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 3.29Å; R36-A39 PolarHBondContact O-N 3.24Å; A39-Q42 PolarHBondContact O-N 3.08Å; A39-A43 WeakPolarHBondContact O-CB 3.33Å; A39-A43 PolarHBondContact O-N 2.95Å
40	E	94.6	Very high	90.6	Very high	66 Å²	66	77.5 Å²	77.5	31%	0.308	38%	0.384	S	S	.	.	H	α-helix	trans	-59.7	-46.6	173.9	-175.5	-177.7	164.1	0	0	111.4	R36 E38 Q42 A43 Q44 V75	R36-E40 WeakPolarHBondContact O-CB 3.23Å; R36-E40 PolarHBondContact O-N 2.94Å; E38-E40 PolarHBondContact O-N 3.39Å; E40-Q42 VanDerWaalsContact C-N 3.32Å; E40-Q42 PolarHBondContact O-N 2.93Å; E40-A43 WeakPolarHBondContact O-CB 3.5Å; E40-A43 PolarHBondContact O-N 3.34Å; E40-Q44 PolarHBondContact O-N 3.44Å; E40-V75 HydrophobicContact CG-CG1 4.32Å; E40-V75 HydrophobicContact CG-CG2 4.4Å
41	R	95.3	Very high	91.7	Very high	137 Å²	137	74.5 Å²	74.5	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-35.3	177.5	-152.4	-167.5	-33.1	98.1	2.8	112.4	R37 E38 A45	R37-R41 WeakPolarHBondContact O-CB 3.48Å; R37-R41 PolarHBondContact O-N 3.42Å; R37-R41 VanDerWaalsContact O-N 3.15Å; E38-R41 PolarHBondContact O-N 3.42Å; E38-R41 IonicContact OE1-CZ 2.71Å; E38-R41 IonicContact OE1-NH1 2.89Å; E38-R41 PolarHBondContact OE1-NH1 3.4Å; E38-R41 IonicContact OE2-CZ 3.56Å; E38-R41 IonicContact OE2-NH1 3.18Å; E38-R41 PolarHBondContact OE2-NH1 3.37Å; E38-R41 IonicContact OE2-NH2 2.7Å; E38-R41 PolarHBondContact OE2-NH2 3.12Å; R41-A45 WeakPolarHBondContact O-CB 3.5Å; R41-A45 PolarHBondContact O-N 3.21Å
42	Q	95.5	Very high	92.4	Very high	117 Å²	117	75.2 Å²	75.2	55%	0.547	38%	0.377	S	S	.	.	H	α-helix	trans	-69	-40	174.2	-69.9	176.8	20.8	0	0	111.7	E38 A39 E40 A45 Q46	E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 3.29Å; E38-Q42 PolarHBondContact OE1-NE2 3.37Å; A39-Q42 PolarHBondContact O-N 3.08Å; E40-Q42 VanDerWaalsContact C-N 3.32Å; E40-Q42 PolarHBondContact O-N 2.93Å; Q42-A45 PolarHBondContact O-N 2.93Å; Q42-Q46 PolarHBondContact O-N 2.86Å
43	A	96.5	Very high	93	Very high	1 Å²	1	72 Å²	72	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-43.4	173.9	0	0	0	0	0	111.6	A39 E40 Q46 L47 P74 V75 F94 F112	A39-A43 WeakPolarHBondContact O-CB 3.33Å; A39-A43 PolarHBondContact O-N 2.95Å; E40-A43 WeakPolarHBondContact O-CB 3.5Å; E40-A43 PolarHBondContact O-N 3.34Å; A43-Q46 PolarHBondContact O-N 3.21Å; A43-L47 WeakPolarHBondContact O-CB 3.43Å; A43-L47 PolarHBondContact O-N 3.24Å; A43-P74 HydrophobicContact CB-CB 3.79Å; A43-V75 HydrophobicContact CB-CG2 3.74Å; A43-F94 HydrophobicContact CB-CE2 3.98Å; A43-F94 HydrophobicContact CB-CZ 3.65Å; A43-F112 HydrophobicContact CB-CZ 4.11Å
44	Q	96.4	Very high	93.5	Very high	55 Å²	55	74.1 Å²	74.1	26%	0.257	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-46.4	174	-176.8	57	42.4	0	0	111.9	E40 Q46 L47 D48 V75	E40-Q44 PolarHBondContact O-N 3.44Å; Q44-Q46 VanDerWaalsContact C-N 3.25Å; Q44-Q46 PolarHBondContact O-N 3.28Å; Q44-L47 WeakPolarHBondContact O-CB 3.49Å; Q44-L47 PolarHBondContact O-N 3.45Å; Q44-L47 VanDerWaalsContact O-N 3.08Å; Q44-D48 PolarHBondContact NE2-OD2 2.75Å; Q44-D48 PolarHBondContact O-N 3.31Å; Q44-V75 HydrophobicContact CB-CG2 4.01Å
45	A	96.1	Very high	94	Very high	62 Å²	62	72.8 Å²	72.8	51%	0.512	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-33	177.1	0	0	0	0	0	112.6	R41 Q42 K49	R41-A45 WeakPolarHBondContact O-CB 3.5Å; R41-A45 PolarHBondContact O-N 3.21Å; Q42-A45 PolarHBondContact O-N 2.93Å; A45-K49 VanDerWaalsContact O-CB 3.28Å; A45-K49 WeakPolarHBondContact O-CB 3.4Å; A45-K49 PolarHBondContact O-N 3.01Å; A45-K49 VanDerWaalsContact O-N 3.1Å
46	Q	96.4	Very high	94.4	Very high	58 Å²	58	73.1 Å²	73.1	27%	0.271	37%	0.373	S	S	.	.	H	α-helix	trans	-72.1	-39.2	172.3	-172.6	171.7	-11	0	0	112.3	Q42 A43 Q44 K49 A50 E92 F94 I100	Q42-Q46 PolarHBondContact O-N 2.86Å; A43-Q46 PolarHBondContact O-N 3.21Å; Q44-Q46 VanDerWaalsContact C-N 3.25Å; Q44-Q46 PolarHBondContact O-N 3.28Å; Q46-K49 CarbonylContact O-C 3.6Å; Q46-K49 PolarHBondContact O-N 3.24Å; Q46-A50 WeakPolarHBondContact O-CB 3.44Å; Q46-A50 PolarHBondContact O-N 2.88Å; Q46-E92 WeakPolarHBondContact CG-OE1 3.42Å; Q46-E92 PolarHBondContact NE2-OE1 3.4Å; Q46-F94 HydrophobicContact CG-CD2 4.5Å; Q46-I100 HydrophobicContact CG-CD1 3.88Å
47	L	95.6	Very high	94.8	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-47	175.8	-177.7	60.5	0	0	0	111.6	A43 Q44 A50 K51 M78 I100 I110 F112	A43-L47 WeakPolarHBondContact O-CB 3.43Å; A43-L47 PolarHBondContact O-N 3.24Å; Q44-L47 WeakPolarHBondContact O-CB 3.49Å; Q44-L47 PolarHBondContact O-N 3.45Å; Q44-L47 VanDerWaalsContact O-N 3.08Å; L47-A50 WeakPolarHBondContact O-CB 3.19Å; L47-A50 PolarHBondContact O-N 2.77Å; L47-A50 VanDerWaalsContact O-N 3.11Å; L47-K51 PolarHBondContact O-N 3.11Å; L47-M78 HydrophobicContact CD2-CB 4.08Å; L47-M78 HydrophobicContact CD2-CE 3.7Å; L47-M78 HydrophobicContact CD2-CG 4.27Å; L47-I100 HydrophobicContact CD1-CG2 3.45Å; L47-I100 VanDerWaalsContact CD1-CG2 3.45Å; L47-I110 HydrophobicContact CD1-CB 4.35Å; L47-I110 HydrophobicContact CD1-CG1 4.04Å; L47-I110 HydrophobicContact CD1-CG2 3.76Å; L47-I110 HydrophobicContact CG-CG2 4.12Å; L47-F112 HydrophobicContact CB-CZ 4.31Å; L47-F112 HydrophobicContact CD2-CD2 4.46Å; L47-F112 HydrophobicContact CD2-CE2 3.89Å; L47-F112 HydrophobicContact CD2-CZ 4.46Å
48	D	94.4	Very high	95.2	Very high	67 Å²	67	64 Å²	64	36%	0.358	34%	0.341	S	S	.	.	H	α-helix	trans	-65.5	-40.8	175	-74	-50.7	0	0	0	112	Q44 A50 K51	Q44-D48 PolarHBondContact NE2-OD2 2.75Å; Q44-D48 PolarHBondContact O-N 3.31Å; D48-A50 PolarHBondContact O-N 3.04Å; D48-K51 WeakPolarHBondContact O-CB 3.19Å; D48-K51 PolarHBondContact O-N 2.68Å; D48-K51 VanDerWaalsContact O-N 3.13Å; D48-K51 VanDerWaalsContact OD1-CE 3.3Å; D48-K51 WeakPolarHBondContact OD1-CE 3.47Å; D48-K51 IonicContact OD1-NZ 3.98Å; D48-K51 PolarHBondContact OD1-NZ 2.93Å
49	K	95	Very high	95.5	Very high	147 Å²	147	60.7 Å²	60.7	64%	0.639	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-20.6	172.6	-174.9	174	-179.5	178.3	0	113.1	A45 Q46 K53	A45-K49 VanDerWaalsContact O-CB 3.28Å; A45-K49 WeakPolarHBondContact O-CB 3.4Å; A45-K49 PolarHBondContact O-N 3.01Å; A45-K49 VanDerWaalsContact O-N 3.1Å; Q46-K49 CarbonylContact O-C 3.6Å; Q46-K49 PolarHBondContact O-N 3.24Å; K49-K53 WeakPolarHBondContact O-CE 3.14Å
50	A	95.4	Very high	95.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-85.2	-15.7	177.1	0	0	0	0	0	113.8	Q46 L47 D48 T52 K53 K91 I100 I110	Q46-A50 WeakPolarHBondContact O-CB 3.44Å; Q46-A50 PolarHBondContact O-N 2.88Å; L47-A50 WeakPolarHBondContact O-CB 3.19Å; L47-A50 PolarHBondContact O-N 2.77Å; L47-A50 VanDerWaalsContact O-N 3.11Å; D48-A50 PolarHBondContact O-N 3.04Å; A50-T52 VanDerWaalsContact C-N 3.28Å; A50-T52 PolarHBondContact O-N 2.93Å; A50-K53 HydrophobicContact CB-CD 4.25Å; A50-K53 PolarHBondContact O-N 3.5Å; A50-K91 HydrophobicContact CB-CB 4.42Å; A50-I100 HydrophobicContact CB-CB 4.38Å; A50-I100 HydrophobicContact CB-CD1 4.39Å; A50-I100 HydrophobicContact CB-CG2 3.68Å; A50-I110 VanDerWaalsContact C-CD1 3.42Å; A50-I110 HydrophobicContact CB-CD1 3.57Å; A50-I110 WeakPolarHBondContact O-CD1 3.19Å
51	K	92.4	Very high	95.8	Very high	77 Å²	77	56.2 Å²	56.2	34%	0.335	29%	0.294	S	S	.	.	H	α-helix	trans	-54.7	-43.2	177.2	-71.2	177.3	170.1	168.5	0	112.2	L47 D48 E109 I110	L47-K51 PolarHBondContact O-N 3.11Å; D48-K51 WeakPolarHBondContact O-CB 3.19Å; D48-K51 PolarHBondContact O-N 2.68Å; D48-K51 VanDerWaalsContact O-N 3.13Å; D48-K51 VanDerWaalsContact OD1-CE 3.3Å; D48-K51 WeakPolarHBondContact OD1-CE 3.47Å; D48-K51 IonicContact OD1-NZ 3.98Å; D48-K51 PolarHBondContact OD1-NZ 2.93Å; K51-E109 WeakPolarHBondContact CE-OE2 3.43Å; K51-E109 IonicContact NZ-OE2 2.81Å; K51-E109 PolarHBondContact NZ-OE2 3.11Å; K51-I110 HydrophobicContact CD-CG2 4.2Å; K51-I110 HydrophobicContact CG-CB 4.45Å; K51-I110 HydrophobicContact CG-CG2 3.49Å; K51-I110 VanDerWaalsContact CG-CG2 3.49Å
52	T	91.7	Very high	95.9	Very high	116 Å²	116	50.9 Å²	50.9	71%	0.712	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-1.2	-177.7	56	0	0	0	0	114.9	A50	A50-T52 VanDerWaalsContact C-N 3.28Å; A50-T52 PolarHBondContact O-N 2.93Å
53	K	94.6	Very high	95.8	Very high	49 Å²	49	48.2 Å²	48.2	21%	0.213	27%	0.267	C	S	.	.	S	Bend	trans	-72.9	150.7	177.8	-69.4	178.4	-171.1	169	0	111	K49 A50 K91 E92	K49-K53 WeakPolarHBondContact O-CE 3.14Å; A50-K53 HydrophobicContact CB-CD 4.25Å; A50-K53 PolarHBondContact O-N 3.5Å; K53-K91 HydrophobicContact CB-CB 4.48Å; K53-K91 WeakPolarHBondContact O-CD 3.5Å; K53-K91 WeakPolarHBondContact O-CE 3.5Å; K53-K91 PolarHBondContact O-NZ 3.11Å; K53-E92 IonicContact NZ-OE1 3.82Å; K53-E92 PolarHBondContact NZ-OE1 3.45Å; K53-E92 IonicContact NZ-OE2 3.35Å; K53-E92 PolarHBondContact NZ-OE2 3.12Å
54	P	94.9	Very high	95.8	Very high	108 Å²	108	51.4 Å²	51.4	70%	0.701	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-62.3	163.2	167.7	28.8	-35.5	0	0	0	111	A56 K91	P54-A56 PolarHBondContact O-N 3.02Å; P54-K91 VanDerWaalsContact O-CD 3.28Å; P54-K91 WeakPolarHBondContact O-CD 3.31Å
55	V	97.1	Very high	95.8	Very high	16 Å²	16	49.6 Å²	49.6	10%	0.097	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.4	122.7	168.9	179.4	0	0	0	0	108.1	F57 H89 K91 L270	V55-F57 WeakPolarHBondContact CG1-O 3.16Å; V55-H89 HydrophobicContact CG1-CB 4.03Å; V55-H89 HydrophobicContact CG2-CB 3.97Å; V55-K91 HydrophobicContact CG2-CD 4.35Å; V55-L270 HydrophobicContact CG2-CD1 4.06Å; V55-L270 HydrophobicContact CG2-CD2 4.39Å
56	A	96.8	Very high	95.7	Very high	67 Å²	67	51.1 Å²	51.1	55%	0.554	29%	0.288	S	S	*	.			trans	-79.2	-41.4	179.4	0	0	0	0	0	111.3	P54 V90 K91	P54-A56 PolarHBondContact O-N 3.02Å; A56-V90 PolarHBondContact N-O 3.26Å; A56-K91 WeakPolarHBondContact CB-O 3.33Å
57	F	97.4	Very high	95.4	Very high	71 Å²	71	51.1 Å²	51.1	31%	0.311	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	166	171.7	61.1	-84.6	0	0	0	110.1	V55 V59 V90 W99	V55-F57 WeakPolarHBondContact CG1-O 3.16Å; F57-V59 HydrophobicContact CD2-CG1 3.94Å; F57-V59 HydrophobicContact CE2-CG1 3.82Å; F57-V90 HydrophobicContact CD1-CB 4.27Å; F57-V90 HydrophobicContact CD1-CG1 4.44Å; F57-V90 HydrophobicContact CD2-CB 4.22Å; F57-V90 HydrophobicContact CD2-CG2 4.22Å; F57-V90 HydrophobicContact CE1-CB 3.93Å; F57-V90 HydrophobicContact CE1-CG1 3.72Å; F57-V90 HydrophobicContact CE2-CB 3.89Å; F57-V90 HydrophobicContact CE2-CG1 4.29Å; F57-V90 HydrophobicContact CE2-CG2 3.67Å; F57-V90 HydrophobicContact CG-CB 4.4Å; F57-V90 HydrophobicContact CZ-CB 3.74Å; F57-V90 HydrophobicContact CZ-CG1 3.63Å; F57-V90 HydrophobicContact CZ-CG2 3.86Å; F57-V90 PolarHBondContact N-O 3.45Å; F57-V90 PolarHBondContact O-N 3.46Å; F57-W99 HydrophobicContact CE2-CE3 4.43Å; F57-W99 HydrophobicContact CE2-CH2 4.11Å; F57-W99 AromaticContact CE2-CZ3 3.9Å; F57-W99 HydrophobicContact CE2-CZ3 3.9Å; F57-W99 HydrophobicContact CZ-CD2 4.48Å; F57-W99 HydrophobicContact CZ-CE3 4.2Å; F57-W99 HydrophobicContact CZ-CH2 4.07Å; F57-W99 HydrophobicContact CZ-CZ2 4.37Å; F57-W99 AromaticContact CZ-CZ3 4Å; F57-W99 HydrophobicContact CZ-CZ3 4Å
58	A	98.3	Very high	95	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.8	170.3	0	0	0	0	0	111.9	L88 V180	A58-L88 VanDerWaalsContact CA-O 3.28Å; A58-L88 WeakPolarHBondContact CA-O 3.37Å; A58-V180 HydrophobicContact CB-CG2 4.02Å; A58-V180 PolarHBondContact O-N 3.32Å; A58-V180 VanDerWaalsContact O-N 3.11Å
59	V	98.1	Very high	94.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.1	172	-64.9	0	0	0	0	111.2	F57 F87 L88 Y177 D178 V179	F57-V59 HydrophobicContact CD2-CG1 3.94Å; F57-V59 HydrophobicContact CE2-CG1 3.82Å; V59-F87 WeakPolarHBondContact O-CA 3.34Å; V59-L88 HydrophobicContact CG2-CB 3.82Å; V59-L88 HydrophobicContact CG2-CD1 4.19Å; V59-L88 HydrophobicContact CG2-CG 4.33Å; V59-L88 PolarHBondContact N-O 3.32Å; V59-L88 PolarHBondContact O-N 2.83Å; V59-Y177 HydrophobicContact CB-CG 4.3Å; V59-Y177 HydrophobicContact CG2-CD1 4.06Å; V59-Y177 HydrophobicContact CG2-CG 4.05Å; V59-D178 CarbonylContact C-O 3.57Å; V59-D178 WeakPolarHBondContact CA-O 3.35Å; V59-D178 WeakPolarHBondContact CB-O 3.4Å; V59-V179 HydrophobicContact CG1-CG2 4.29Å
60	R	97.6	Very high	93.6	Very high	28 Å²	28	56.9 Å²	56.9	11%	0.106	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.8	162	-176.2	-168.5	63.2	-158	-9	109	D86 F87 Y177 D178 V180	R60-D86 CarbonylContact C-O 3.48Å; R60-D86 VanDerWaalsContact CA-O 3.3Å; R60-D86 WeakPolarHBondContact CA-O 3.44Å; R60-F87 HydrophobicContact CB-CD1 4.19Å; R60-F87 HydrophobicContact CB-CE1 4.05Å; R60-F87 HydrophobicContact CG-CD1 4.47Å; R60-F87 HydrophobicContact CG-CE1 4.15Å; R60-F87 HydrophobicContact CG-CZ 4.19Å; R60-Y177 WeakPolarHBondContact O-CA 3.22Å; R60-D178 IonicContact CZ-OD2 2.79Å; R60-D178 PolarHBondContact N-O 3.23Å; R60-D178 IonicContact NE-OD2 2.9Å; R60-D178 IonicContact NH2-OD2 3.8Å; R60-D178 PolarHBondContact NH2-OD2 2.99Å; R60-D178 PolarHBondContact O-N 3.4Å; R60-V180 HydrophobicContact CB-CG1 3.77Å; R60-V180 HydrophobicContact CB-CG2 4.47Å
61	T	97.5	Very high	93	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	150.4	-179.2	69.2	0	0	0	0	112	F82 D83 A84 K85 D86 L88 Y177	T61-F82 HydrophobicContact CG2-CD2 3.51Å; T61-F82 HydrophobicContact CG2-CE2 3.77Å; T61-F82 HydrophobicContact CG2-CG 4.06Å; T61-D83 PolarHBondContact OG1-O 3.12Å; T61-A84 WeakPolarHBondContact OG1-CA 3.46Å; T61-K85 WeakPolarHBondContact O-CA 3.47Å; T61-K85 PolarHBondContact O-N 2.99Å; T61-K85 PolarHBondContact OG1-N 3.02Å; T61-D86 HydrophobicContact CG2-CB 4.2Å; T61-D86 PolarHBondContact N-O 3.3Å; T61-D86 PolarHBondContact OG1-N 3.24Å; T61-D86 VanDerWaalsContact OG1-N 3.09Å; T61-D86 PolarHBondContact OG1-O 2.98Å; T61-L88 HydrophobicContact CG2-CD1 3.93Å; T61-L88 HydrophobicContact CG2-CG 4.11Å; T61-Y177 HydrophobicContact CG2-CD1 4.18Å; T61-Y177 HydrophobicContact CG2-CE1 4.07Å
62	N	95.4	Very high	92.8	Very high	25 Å²	25	59.7 Å²	59.7	13%	0.134	35%	0.346	C	S	.	.	S	Bend	trans	-119.7	-5.5	171.6	-75.1	-45.5	0	0	0	112.8	K85 I174 P175 P176 D178	N62-K85 PolarHBondContact OD1-NZ 3.13Å; N62-I174 HydrophobicContact CB-CG2 3.76Å; N62-P175 WeakPolarHBondContact CB-O 3.07Å; N62-P175 PolarHBondContact ND2-O 2.98Å; N62-P176 PolarHBondContact N-O 3.05Å; N62-D178 PolarHBondContact ND2-OD1 3.29Å; N62-D178 PolarHBondContact ND2-OD2 3.48Å; N62-D178 PolarHBondContact OD1-OD2 2.9Å
63	V	95.3	Very high	92.9	Very high	60 Å²	60	55.6 Å²	55.6	36%	0.364	32%	0.321	S	S	.	.	S	Bend	trans	-132.2	155.2	173.5	-62.5	0	0	0	0	108.1	F82 L119 P176	V63-F82 WeakPolarHBondContact O-CE2 3.47Å; V63-L119 HydrophobicContact CG2-CD1 4.16Å; V63-P176 HydrophobicContact CG2-CB 3.73Å
64	S	95.9	Very high	92.9	Very high	69 Å²	69	54.4 Å²	54.4	48%	0.483	32%	0.318	S	S	.	.			trans	-85.5	161.2	164.8	52.8	0	0	0	0	110.8	F82	S64-F82 CarbonylContact C-O 3.44Å; S64-F82 VanDerWaalsContact CA-O 3.26Å; S64-F82 WeakPolarHBondContact CA-O 3.35Å; S64-F82 WeakPolarHBondContact CB-O 3.4Å
65	Y	95.6	Very high	92.9	Very high	17 Å²	17	49.8 Å²	49.8	7%	0.067	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-148	129.6	174.6	168.3	-108.5	0	0	0	110	P67 D71 I80 S81 F82 W98 P114 L119	Y65-P67 HydrophobicContact CE1-CB 4.46Å; Y65-P67 HydrophobicContact CE1-CG 3.8Å; Y65-D71 WeakPolarHBondContact CE2-OD2 3.22Å; Y65-D71 PolarHBondContact OH-OD2 3.13Å; Y65-I80 VanDerWaalsContact CD1-O 3.26Å; Y65-I80 WeakPolarHBondContact CD1-O 3.25Å; Y65-I80 WeakPolarHBondContact CE1-O 3.27Å; Y65-S81 VanDerWaalsContact O-CA 3.26Å; Y65-S81 WeakPolarHBondContact O-CA 3.46Å; Y65-F82 VanDerWaalsContact CB-CZ 3.44Å; Y65-F82 HydrophobicContact CD1-CD1 4.31Å; Y65-F82 AromaticContact CD1-CE1 3.8Å; Y65-F82 HydrophobicContact CD1-CE1 3.8Å; Y65-F82 HydrophobicContact CD1-CZ 4.18Å; Y65-F82 HydrophobicContact CG-CE1 4.24Å; Y65-F82 HydrophobicContact CG-CZ 4.15Å; Y65-F82 PolarHBondContact N-O 3.39Å; Y65-F82 PolarHBondContact O-N 3.34Å; Y65-W98 WeakPolarHBondContact OH-CH2 3.35Å; Y65-P114 HydrophobicContact CD1-CG 3.65Å; Y65-P114 HydrophobicContact CD2-CG 4.14Å; Y65-P114 HydrophobicContact CE1-CG 3.69Å; Y65-P114 HydrophobicContact CE2-CG 4.17Å; Y65-P114 HydrophobicContact CG-CG 3.88Å; Y65-L119 HydrophobicContact CD2-CD2 3.98Å; Y65-L119 HydrophobicContact CG-CD2 4.23Å
66	S	93.6	Very high	92.6	Very high	94 Å²	94	53.2 Å²	53.2	66%	0.657	31%	0.311	S	S	*	.			trans	-121.9	119.3	175	-55.4	0	0	0	0	108	S68	S66-S68 PolarHBondContact O-N 2.75Å
67	P	90.6	Very high	92.3	Very high	58 Å²	58	53.7 Å²	53.7	38%	0.377	32%	0.322	S	S	.	.			trans	-57.6	134.3	-178.4	-26	33.5	0	0	0	113.3	Y65 A79	Y65-P67 HydrophobicContact CE1-CB 4.46Å; Y65-P67 HydrophobicContact CE1-CG 3.8Å; P67-A79 HydrophobicContact CB-CB 3.79Å; P67-A79 HydrophobicContact CG-CB 3.59Å
68	S	87.1	Confident	92.2	Very high	51 Å²	51	53.4 Å²	53.4	36%	0.357	32%	0.322	S	S	.	.			trans	-113.6	158.7	175.3	103.7	0	0	0	0	111.6	S66 D70 D71	S66-S68 PolarHBondContact O-N 2.75Å; S68-D70 PolarHBondContact O-N 3.46Å; S68-D70 PolarHBondContact OG-N 2.94Å; S68-D70 VanDerWaalsContact OG-N 3.15Å; S68-D71 WeakPolarHBondContact CB-OD1 3.48Å; S68-D71 PolarHBondContact N-OD2 3.21Å; S68-D71 WeakPolarHBondContact O-CB 3.24Å; S68-D71 PolarHBondContact O-N 2.7Å; S68-D71 PolarHBondContact OG-OD1 2.87Å
69	H	79.1	Confident	92.1	Very high	199 Å²	199	54 Å²	54	92%	0.921	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.9	176.1	-63.4	85.4	0	0	0	112.7	D71	H69-D71 VanDerWaalsContact C-N 3.32Å
70	D	80.7	Confident	92	Very high	85 Å²	85	54.9 Å²	54.9	46%	0.455	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	1.6	177.2	-67.1	0.9	0	0	0	112.6	S68 D72 R129	S68-D70 PolarHBondContact O-N 3.46Å; S68-D70 PolarHBondContact OG-N 2.94Å; S68-D70 VanDerWaalsContact OG-N 3.15Å; D70-D72 PolarHBondContact O-N 2.88Å; D70-R129 IonicContact OD2-CZ 2.59Å; D70-R129 IonicContact OD2-NH1 2.85Å; D70-R129 PolarHBondContact OD2-NH1 2.92Å; D70-R129 IonicContact OD2-NH2 3.39Å; D70-R129 PolarHBondContact OD2-NH2 3.39Å
71	D	83.6	Confident	91.9	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.043	35%	0.35	C	S	.	.	S	Bend	trans	-85	-3.8	-168.6	-69	-5.3	0	0	0	114.2	Y65 S68 H69 V73 W98 K118	Y65-D71 WeakPolarHBondContact CE2-OD2 3.22Å; Y65-D71 PolarHBondContact OH-OD2 3.13Å; S68-D71 WeakPolarHBondContact CB-OD1 3.48Å; S68-D71 PolarHBondContact N-OD2 3.21Å; S68-D71 WeakPolarHBondContact O-CB 3.24Å; S68-D71 PolarHBondContact O-N 2.7Å; S68-D71 PolarHBondContact OG-OD1 2.87Å; H69-D71 VanDerWaalsContact C-N 3.32Å; D71-V73 HydrophobicContact CB-CG2 4.26Å; D71-V73 PolarHBondContact O-N 2.84Å; D71-W98 HydrophobicContact CB-CZ2 4.45Å; D71-W98 WeakPolarHBondContact O-CZ2 3.21Å; D71-K118 WeakPolarHBondContact O-CE 3.42Å; D71-K118 PolarHBondContact O-NZ 3.15Å
72	D	89	Confident	92	Very high	128 Å²	128	57.3 Å²	57.3	68%	0.684	35%	0.352	S	S	*	.			trans	51.7	53.9	-176.9	-51.4	-54.1	0	0	0	112.9	D70 W98 K118	D70-D72 PolarHBondContact O-N 2.88Å; D72-W98 PolarHBondContact O-NE1 3.22Å; D72-K118 IonicContact OD2-NZ 2.76Å
73	V	93.5	Very high	92	Very high	29 Å²	29	61.3 Å²	61.3	18%	0.176	37%	0.374	C	S	.	.			trans	-69.3	133.9	177.5	-168.2	0	0	0	0	109.9	D71 V75 A79 W98 F112	D71-V73 HydrophobicContact CB-CG2 4.26Å; D71-V73 PolarHBondContact O-N 2.84Å; V73-V75 WeakPolarHBondContact CG1-O 3.41Å; V73-V75 PolarHBondContact O-N 3.03Å; V73-A79 HydrophobicContact CB-CB 4.5Å; V73-A79 HydrophobicContact CG1-CB 3.73Å; V73-A79 HydrophobicContact CG2-CB 3.87Å; V73-W98 HydrophobicContact CB-CH2 4.43Å; V73-W98 HydrophobicContact CB-CZ2 4.22Å; V73-W98 HydrophobicContact CG1-CH2 4.35Å; V73-W98 HydrophobicContact CG1-CZ2 4.44Å; V73-W98 HydrophobicContact CG2-CH2 3.89Å; V73-W98 HydrophobicContact CG2-CZ2 3.94Å; V73-F112 HydrophobicContact CG1-CB 4.33Å; V73-F112 HydrophobicContact CG1-CD2 4.25Å
74	P	93.9	Very high	92	Very high	24 Å²	24	60.9 Å²	60.9	16%	0.156	38%	0.376	C	S	.	.	S	Bend	trans	-64.3	-24.5	-175.2	-24.1	35.9	0	0	0	114.9	A43 F94 W98 F112	A43-P74 HydrophobicContact CB-CB 3.79Å; P74-F94 HydrophobicContact CB-CD1 4.21Å; P74-F94 HydrophobicContact CB-CE1 3.54Å; P74-F94 HydrophobicContact CB-CZ 3.98Å; P74-F94 HydrophobicContact CG-CD1 3.77Å; P74-F94 HydrophobicContact CG-CE1 3.52Å; P74-F94 HydrophobicContact CG-CZ 4.43Å; P74-W98 HydrophobicContact CG-CB 4.25Å; P74-W98 HydrophobicContact CG-CD2 4.41Å; P74-W98 HydrophobicContact CG-CG 3.83Å; P74-F112 HydrophobicContact CB-CD1 4.34Å; P74-F112 HydrophobicContact CB-CE1 3.92Å; P74-F112 HydrophobicContact CB-CE2 4.23Å; P74-F112 HydrophobicContact CB-CZ 3.88Å; P74-F112 HydrophobicContact CG-CD1 3.88Å; P74-F112 HydrophobicContact CG-CE1 3.91Å; P74-F112 HydrophobicContact CG-CG 4.25Å; P74-F112 HydrophobicContact CG-CZ 4.32Å
75	V	94.1	Very high	92	Very high	11 Å²	11	62.8 Å²	62.8	7%	0.067	38%	0.376	C	S	.	.	S	Bend	trans	-133.2	120.7	164.8	-175.6	0	0	0	0	107.5	E40 A43 Q44 V73 M78 F112	E40-V75 HydrophobicContact CG-CG1 4.32Å; E40-V75 HydrophobicContact CG-CG2 4.4Å; A43-V75 HydrophobicContact CB-CG2 3.74Å; Q44-V75 HydrophobicContact CB-CG2 4.01Å; V73-V75 WeakPolarHBondContact CG1-O 3.41Å; V73-V75 PolarHBondContact O-N 3.03Å; V75-M78 HydrophobicContact CB-CB 4.09Å; V75-M78 HydrophobicContact CB-CG 3.94Å; V75-M78 HydrophobicContact CG1-CB 4.37Å; V75-M78 HydrophobicContact CG1-CG 3.68Å; V75-M78 PolarHBondContact O-N 3.48Å; V75-F112 HydrophobicContact CB-CE2 3.92Å; V75-F112 HydrophobicContact CG2-CE2 3.75Å; V75-F112 HydrophobicContact CG2-CZ 4.18Å
76	P	91.3	Very high	92.1	Very high	89 Å²	89	64.3 Å²	64.3	58%	0.578	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	139.6	179	-27.5	35.9	0	0	0	112.6	M78	P76-M78 PolarHBondContact O-N 2.92Å; P76-M78 VanDerWaalsContact O-N 3.16Å
77	G	91	Very high	92.3	Very high	77 Å²	77	61.8 Å²	61.8	79%	0.794	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-15.9	-178.7	0	0	0	0	0	116	A79	G77-A79 VanDerWaalsContact C-N 3.34Å; G77-A79 PolarHBondContact O-N 3.16Å
78	M	94.9	Very high	92.7	Very high	64 Å²	64	59 Å²	59	32%	0.315	34%	0.344	S	S	.	.			trans	-90.9	16.5	-176.3	-59	-56.7	-66.1	0	0	114.5	L47 V75 P76 G111 F112	L47-M78 HydrophobicContact CD2-CB 4.08Å; L47-M78 HydrophobicContact CD2-CE 3.7Å; L47-M78 HydrophobicContact CD2-CG 4.27Å; V75-M78 HydrophobicContact CB-CB 4.09Å; V75-M78 HydrophobicContact CB-CG 3.94Å; V75-M78 HydrophobicContact CG1-CB 4.37Å; V75-M78 HydrophobicContact CG1-CG 3.68Å; V75-M78 PolarHBondContact O-N 3.48Å; P76-M78 PolarHBondContact O-N 2.92Å; P76-M78 VanDerWaalsContact O-N 3.16Å; M78-G111 CarbonylContact O-C 3.45Å; M78-G111 VanDerWaalsContact O-CA 3.31Å; M78-G111 WeakPolarHBondContact O-CA 3.12Å; M78-F112 HydrophobicContact CB-CD2 3.99Å; M78-F112 HydrophobicContact CB-CE2 4.24Å; M78-F112 PolarHBondContact O-N 3.05Å
79	A	95.9	Very high	93.2	Very high	16 Å²	16	56.7 Å²	56.7	13%	0.132	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-85.5	139.9	174.2	0	0	0	0	0	111.7	P67 V73 G77 W98 F112	P67-A79 HydrophobicContact CB-CB 3.79Å; P67-A79 HydrophobicContact CG-CB 3.59Å; V73-A79 HydrophobicContact CB-CB 4.5Å; V73-A79 HydrophobicContact CG1-CB 3.73Å; V73-A79 HydrophobicContact CG2-CB 3.87Å; G77-A79 VanDerWaalsContact C-N 3.34Å; G77-A79 PolarHBondContact O-N 3.16Å; A79-W98 HydrophobicContact CB-CH2 4.32Å; A79-W98 HydrophobicContact CB-CZ3 4.31Å; A79-F112 WeakPolarHBondContact CA-O 3.17Å
80	I	96.5	Very high	94.1	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.108	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-88	117.4	179.9	-62.7	-177.1	0	0	0	110.1	Y65 F82 G101 L103 F112 I113	Y65-I80 VanDerWaalsContact CD1-O 3.26Å; Y65-I80 WeakPolarHBondContact CD1-O 3.25Å; Y65-I80 WeakPolarHBondContact CE1-O 3.27Å; I80-F82 HydrophobicContact CG2-CD1 4.43Å; I80-G101 VanDerWaalsContact CD1-O 3.23Å; I80-G101 WeakPolarHBondContact CD1-O 3.35Å; I80-L103 HydrophobicContact CG2-CB 4.25Å; I80-F112 PolarHBondContact N-O 2.84Å; I80-I113 HydrophobicContact CB-CG1 4.35Å; I80-I113 HydrophobicContact CD1-CD1 4.44Å; I80-I113 HydrophobicContact CD1-CG1 4.03Å
81	S	96.4	Very high	94.9	Very high	70 Å²	70	44.6 Å²	44.6	49%	0.49	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-73.8	141.7	161.7	56.7	0	0	0	0	111.1	Y65	Y65-S81 VanDerWaalsContact O-CA 3.26Å; Y65-S81 WeakPolarHBondContact O-CA 3.46Å
82	F	97.6	Very high	95.5	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.035	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-150.8	153.6	174.2	53.7	-102	0	0	0	111.1	T61 V63 S64 Y65 I80 D86 L88 I113 P114 Y177	T61-F82 HydrophobicContact CG2-CD2 3.51Å; T61-F82 HydrophobicContact CG2-CE2 3.77Å; T61-F82 HydrophobicContact CG2-CG 4.06Å; V63-F82 WeakPolarHBondContact O-CE2 3.47Å; S64-F82 CarbonylContact C-O 3.44Å; S64-F82 VanDerWaalsContact CA-O 3.26Å; S64-F82 WeakPolarHBondContact CA-O 3.35Å; S64-F82 WeakPolarHBondContact CB-O 3.4Å; Y65-F82 VanDerWaalsContact CB-CZ 3.44Å; Y65-F82 HydrophobicContact CD1-CD1 4.31Å; Y65-F82 AromaticContact CD1-CE1 3.8Å; Y65-F82 HydrophobicContact CD1-CE1 3.8Å; Y65-F82 HydrophobicContact CD1-CZ 4.18Å; Y65-F82 HydrophobicContact CG-CE1 4.24Å; Y65-F82 HydrophobicContact CG-CZ 4.15Å; Y65-F82 PolarHBondContact N-O 3.39Å; Y65-F82 PolarHBondContact O-N 3.34Å; I80-F82 HydrophobicContact CG2-CD1 4.43Å; F82-D86 WeakPolarHBondContact CA-OD2 3.42Å; F82-D86 HydrophobicContact CB-CB 4.09Å; F82-D86 WeakPolarHBondContact CB-OD2 3.49Å; F82-L88 HydrophobicContact CB-CD2 4.29Å; F82-L88 HydrophobicContact CD1-CD1 3.89Å; F82-L88 HydrophobicContact CD1-CD2 4.24Å; F82-L88 HydrophobicContact CE1-CD1 3.94Å; F82-L88 HydrophobicContact CG-CD1 4.36Å; F82-L88 HydrophobicContact CG-CD2 4.45Å; F82-L88 HydrophobicContact CZ-CD1 4.47Å; F82-I113 HydrophobicContact CE1-CG2 4.39Å; F82-P114 HydrophobicContact CE1-CG 4.29Å; F82-P114 HydrophobicContact CZ-CG 4.35Å; F82-Y177 HydrophobicContact CE1-CE1 4.48Å; F82-Y177 HydrophobicContact CE2-CE1 4.11Å; F82-Y177 AromaticContact CZ-CE1 3.76Å; F82-Y177 HydrophobicContact CZ-CE1 3.76Å; F82-Y177 AromaticContact CZ-CZ 3.98Å; F82-Y177 VanDerWaalsContact CZ-OH 3.26Å; F82-Y177 WeakPolarHBondContact CZ-OH 3.35Å
83	D	97.4	Very high	95.9	Very high	110 Å²	110	45.6 Å²	45.6	59%	0.588	27%	0.267	S	S	*	.			trans	-92.4	174.3	172.3	-85	-52.9	0	0	0	112	T61 D86	T61-D83 PolarHBondContact OG1-O 3.12Å; D83-D86 PolarHBondContact N-OD2 2.74Å; D83-D86 WeakPolarHBondContact O-CB 3.12Å
84	A	95.2	Very high	96.1	Very high	50 Å²	50	46.8 Å²	46.8	41%	0.413	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	134.9	172.6	0	0	0	0	0	110.5	T61	T61-A84 WeakPolarHBondContact OG1-CA 3.46Å
85	K	95.2	Very high	96.2	Very high	110 Å²	110	48.5 Å²	48.5	48%	0.478	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	0.8	-172.1	-45.6	-56.3	166.6	-169.3	0	116.5	T61 N62 F87	T61-K85 WeakPolarHBondContact O-CA 3.47Å; T61-K85 PolarHBondContact O-N 2.99Å; T61-K85 PolarHBondContact OG1-N 3.02Å; N62-K85 PolarHBondContact OD1-NZ 3.13Å; K85-F87 WeakPolarHBondContact O-CE2 3.39Å
86	D	97.4	Very high	96.3	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	30%	0.303	S	S	.	.			trans	-58.6	158.8	164.4	-87.5	-19.5	0	0	0	112.6	R60 T61 F82 D83 L103	R60-D86 CarbonylContact C-O 3.48Å; R60-D86 VanDerWaalsContact CA-O 3.3Å; R60-D86 WeakPolarHBondContact CA-O 3.44Å; T61-D86 HydrophobicContact CG2-CB 4.2Å; T61-D86 PolarHBondContact N-O 3.3Å; T61-D86 PolarHBondContact OG1-N 3.24Å; T61-D86 VanDerWaalsContact OG1-N 3.09Å; T61-D86 PolarHBondContact OG1-O 2.98Å; F82-D86 WeakPolarHBondContact CA-OD2 3.42Å; F82-D86 HydrophobicContact CB-CB 4.09Å; F82-D86 WeakPolarHBondContact CB-OD2 3.49Å; D83-D86 PolarHBondContact N-OD2 2.74Å; D83-D86 WeakPolarHBondContact O-CB 3.12Å; D86-L103 HydrophobicContact CB-CD1 3.79Å
87	F	98.3	Very high	96.5	Very high	40 Å²	40	51.6 Å²	51.6	18%	0.175	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.8	179	-68.4	-94.8	0	0	0	110.4	V59 R60 K85 V104 V180 R184 A292	V59-F87 WeakPolarHBondContact O-CA 3.34Å; R60-F87 HydrophobicContact CB-CD1 4.19Å; R60-F87 HydrophobicContact CB-CE1 4.05Å; R60-F87 HydrophobicContact CG-CD1 4.47Å; R60-F87 HydrophobicContact CG-CE1 4.15Å; R60-F87 HydrophobicContact CG-CZ 4.19Å; K85-F87 WeakPolarHBondContact O-CE2 3.39Å; F87-V104 HydrophobicContact CB-CB 4.03Å; F87-V104 HydrophobicContact CB-CG2 4.12Å; F87-V104 WeakPolarHBondContact O-CB 3.26Å; F87-V104 WeakPolarHBondContact O-CG2 3.48Å; F87-V104 PolarHBondContact O-N 2.95Å; F87-V180 HydrophobicContact CD1-CG2 4.2Å; F87-V180 HydrophobicContact CE1-CG2 4.39Å; F87-R184 HydrophobicContact CD1-CG 4.22Å; F87-R184 HydrophobicContact CE1-CG 3.8Å; F87-R184 HydrophobicContact CZ-CG 4.16Å; F87-R184 VanDerWaalsContact CZ-NE 3.35Å; F87-A292 HydrophobicContact CE1-CB 3.65Å; F87-A292 HydrophobicContact CZ-CB 3.95Å
88	L	98.4	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.6	-179.5	-51.4	176	0	0	0	110.4	A58 V59 T61 F82 R102 L103 I113 Y177	A58-L88 VanDerWaalsContact CA-O 3.28Å; A58-L88 WeakPolarHBondContact CA-O 3.37Å; V59-L88 HydrophobicContact CG2-CB 3.82Å; V59-L88 HydrophobicContact CG2-CD1 4.19Å; V59-L88 HydrophobicContact CG2-CG 4.33Å; V59-L88 PolarHBondContact N-O 3.32Å; V59-L88 PolarHBondContact O-N 2.83Å; T61-L88 HydrophobicContact CG2-CD1 3.93Å; T61-L88 HydrophobicContact CG2-CG 4.11Å; F82-L88 HydrophobicContact CB-CD2 4.29Å; F82-L88 HydrophobicContact CD1-CD1 3.89Å; F82-L88 HydrophobicContact CD1-CD2 4.24Å; F82-L88 HydrophobicContact CE1-CD1 3.94Å; F82-L88 HydrophobicContact CG-CD1 4.36Å; F82-L88 HydrophobicContact CG-CD2 4.45Å; F82-L88 HydrophobicContact CZ-CD1 4.47Å; L88-R102 CarbonylContact C-O 3.54Å; L88-R102 WeakPolarHBondContact CA-O 3.41Å; L88-L103 HydrophobicContact CD2-CB 4.31Å; L88-L103 HydrophobicContact CD2-CD1 3.82Å; L88-I113 HydrophobicContact CB-CD1 4.1Å; L88-I113 HydrophobicContact CD1-CD1 4.17Å; L88-I113 HydrophobicContact CD1-CG1 4.44Å; L88-I113 HydrophobicContact CD1-CG2 3.8Å; L88-Y177 HydrophobicContact CD1-CE1 4.06Å
89	H	98.3	Very high	97	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.1	169	-81.6	177.1	0	0	0	109.4	V55 G101 R102 V104 S182	V55-H89 HydrophobicContact CG1-CB 4.03Å; V55-H89 HydrophobicContact CG2-CB 3.97Å; H89-G101 CarbonylContact O-C 3.56Å; H89-G101 WeakPolarHBondContact O-CA 3.11Å; H89-R102 HydrophobicContact CB-CG 4.02Å; H89-R102 PolarHBondContact N-O 3.22Å; H89-R102 PolarHBondContact O-N 2.93Å; H89-V104 HydrophobicContact CB-CG2 4.21Å; H89-V104 VanDerWaalsContact CD2-CG2 3.43Å; H89-V104 WeakPolarHBondContact CD2-CG2 3.46Å; H89-S182 PolarHBondContact NE2-O 2.86Å
90	V	98.3	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.6	177.3	-175.6	0	0	0	0	109.7	A56 F57 W99	A56-V90 PolarHBondContact N-O 3.26Å; F57-V90 HydrophobicContact CD1-CB 4.27Å; F57-V90 HydrophobicContact CD1-CG1 4.44Å; F57-V90 HydrophobicContact CD2-CB 4.22Å; F57-V90 HydrophobicContact CD2-CG2 4.22Å; F57-V90 HydrophobicContact CE1-CB 3.93Å; F57-V90 HydrophobicContact CE1-CG1 3.72Å; F57-V90 HydrophobicContact CE2-CB 3.89Å; F57-V90 HydrophobicContact CE2-CG1 4.29Å; F57-V90 HydrophobicContact CE2-CG2 3.67Å; F57-V90 HydrophobicContact CG-CB 4.4Å; F57-V90 HydrophobicContact CZ-CB 3.74Å; F57-V90 HydrophobicContact CZ-CG1 3.63Å; F57-V90 HydrophobicContact CZ-CG2 3.86Å; F57-V90 PolarHBondContact N-O 3.45Å; F57-V90 PolarHBondContact O-N 3.46Å; V90-W99 HydrophobicContact CG1-CB 4.14Å; V90-W99 HydrophobicContact CG1-CD2 4.48Å; V90-W99 HydrophobicContact CG1-CE3 4.34Å; V90-W99 HydrophobicContact CG1-CG 4.45Å; V90-W99 HydrophobicContact CG2-CE3 3.79Å; V90-W99 HydrophobicContact CG2-CZ3 4.21Å
91	K	96.9	Very high	97.2	Very high	29 Å²	29	45.1 Å²	45.1	13%	0.126	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-45.4	176.6	-61.8	-65	-165.9	170.3	0	111.1	A50 K53 P54 V55 A56 I100 I110	A50-K91 HydrophobicContact CB-CB 4.42Å; K53-K91 HydrophobicContact CB-CB 4.48Å; K53-K91 WeakPolarHBondContact O-CD 3.5Å; K53-K91 WeakPolarHBondContact O-CE 3.5Å; K53-K91 PolarHBondContact O-NZ 3.11Å; P54-K91 VanDerWaalsContact O-CD 3.28Å; P54-K91 WeakPolarHBondContact O-CD 3.31Å; V55-K91 HydrophobicContact CG2-CD 4.35Å; A56-K91 WeakPolarHBondContact CB-O 3.33Å; K91-I100 PolarHBondContact N-O 2.87Å; K91-I110 HydrophobicContact CB-CD1 4.46Å; K91-I110 HydrophobicContact CG-CD1 3.83Å
92	E	96.9	Very high	97.2	Very high	42 Å²	42	42.1 Å²	42.1	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	172.5	175.3	67.3	-175.8	165.6	0	0	113.3	Q46 K53 I100	Q46-E92 WeakPolarHBondContact CG-OE1 3.42Å; Q46-E92 PolarHBondContact NE2-OE1 3.4Å; K53-E92 IonicContact NZ-OE1 3.82Å; K53-E92 PolarHBondContact NZ-OE1 3.45Å; K53-E92 IonicContact NZ-OE2 3.35Å; K53-E92 PolarHBondContact NZ-OE2 3.12Å; E92-I100 HydrophobicContact CG-CB 4.13Å; E92-I100 HydrophobicContact CG-CD1 4.22Å; E92-I100 HydrophobicContact CG-CG1 4.25Å; E92-I100 PolarHBondContact N-O 3.26Å; E92-I100 PolarHBondContact O-N 2.72Å
93	K	97.3	Very high	97.2	Very high	116 Å²	116	42.7 Å²	42.7	50%	0.504	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.3	167.5	178.7	-179.5	176.7	-174.1	0	108.9	N95 N96	K93-N95 VanDerWaalsContact CE-C 3.48Å; K93-N95 WeakPolarHBondContact CE-O 3.48Å; K93-N95 WeakPolarHBondContact CG-O 3.48Å; K93-N96 WeakPolarHBondContact CE-OD1 3.49Å; K93-N96 PolarHBondContact NZ-OD1 2.79Å
94	F	96.9	Very high	97.2	Very high	53 Å²	53	38.6 Å²	38.6	23%	0.232	19%	0.192	C	C	.	.			trans	-79.8	-59.4	173.5	177.7	-110.2	0	0	0	110.3	A43 Q46 P74 W98 I100 F112	A43-F94 HydrophobicContact CB-CE2 3.98Å; A43-F94 HydrophobicContact CB-CZ 3.65Å; Q46-F94 HydrophobicContact CG-CD2 4.5Å; P74-F94 HydrophobicContact CB-CD1 4.21Å; P74-F94 HydrophobicContact CB-CE1 3.54Å; P74-F94 HydrophobicContact CB-CZ 3.98Å; P74-F94 HydrophobicContact CG-CD1 3.77Å; P74-F94 HydrophobicContact CG-CE1 3.52Å; P74-F94 HydrophobicContact CG-CZ 4.43Å; F94-W98 HydrophobicContact CB-CB 4.36Å; F94-W98 WeakPolarHBondContact CB-O 3.33Å; F94-W98 HydrophobicContact CD1-CB 4.19Å; F94-W98 PolarHBondContact N-O 2.84Å; F94-I100 HydrophobicContact CB-CD1 4.21Å; F94-I100 HydrophobicContact CB-CG1 3.86Å; F94-I100 HydrophobicContact CD2-CD1 4.16Å; F94-F112 HydrophobicContact CB-CE1 4.31Å; F94-F112 HydrophobicContact CD1-CE1 4.1Å; F94-F112 HydrophobicContact CD2-CE1 4.11Å; F94-F112 HydrophobicContact CE1-CE1 4.47Å; F94-F112 HydrophobicContact CE2-CE1 4.48Å; F94-F112 AromaticContact CG-CE1 3.91Å; F94-F112 HydrophobicContact CG-CE1 3.91Å
95	N	96	Very high	97.1	Very high	61 Å²	61	42.1 Å²	42.1	33%	0.326	20%	0.199	S	C	.	.	S	Bend	trans	-145.4	-162.4	175.8	69.4	18.2	0	0	0	109.9	K93 D97 W98	K93-N95 VanDerWaalsContact CE-C 3.48Å; K93-N95 WeakPolarHBondContact CE-O 3.48Å; K93-N95 WeakPolarHBondContact CG-O 3.48Å; N95-D97 VanDerWaalsContact C-N 3.33Å; N95-D97 PolarHBondContact OD1-N 3.38Å; N95-W98 PolarHBondContact N-O 3.29Å; N95-W98 PolarHBondContact OD1-N 3.16Å
96	N	96.1	Very high	96.9	Very high	111 Å²	111	42.1 Å²	42.1	59%	0.594	20%	0.2	S	C	*	.	S	Bend	trans	-70.7	-27.8	-179.1	-73.6	-27	0	0	0	113.8	K93 S115	K93-N96 WeakPolarHBondContact CE-OD1 3.49Å; K93-N96 PolarHBondContact NZ-OD1 2.79Å; N96-S115 VanDerWaalsContact O-CB 3.3Å; N96-S115 WeakPolarHBondContact O-CB 3.38Å; N96-S115 PolarHBondContact O-OG 3.39Å
97	D	96.3	Very high	96.5	Very high	53 Å²	53	43.4 Å²	43.4	28%	0.283	23%	0.225	S	C	.	.	S	Bend	trans	-98.6	-19.7	-175.6	-65.5	-69.3	0	0	0	113.1	N95 P114 S115 K118	N95-D97 VanDerWaalsContact C-N 3.33Å; N95-D97 PolarHBondContact OD1-N 3.38Å; D97-P114 CarbonylContact O-C 3.51Å; D97-P114 WeakPolarHBondContact O-CA 3.37Å; D97-S115 PolarHBondContact O-N 3.17Å; D97-K118 HydrophobicContact CB-CB 3.94Å; D97-K118 HydrophobicContact CB-CD 4.07Å; D97-K118 HydrophobicContact CB-CG 4.2Å; D97-K118 WeakPolarHBondContact O-CB 3.48Å
98	W	97.6	Very high	96.2	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.019	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.7	-173.5	-63.9	105	0	0	0	113.1	Y65 D71 D72 V73 P74 A79 F94 N95 F112 P114	Y65-W98 WeakPolarHBondContact OH-CH2 3.35Å; D71-W98 HydrophobicContact CB-CZ2 4.45Å; D71-W98 WeakPolarHBondContact O-CZ2 3.21Å; D72-W98 PolarHBondContact O-NE1 3.22Å; V73-W98 HydrophobicContact CB-CH2 4.43Å; V73-W98 HydrophobicContact CB-CZ2 4.22Å; V73-W98 HydrophobicContact CG1-CH2 4.35Å; V73-W98 HydrophobicContact CG1-CZ2 4.44Å; V73-W98 HydrophobicContact CG2-CH2 3.89Å; V73-W98 HydrophobicContact CG2-CZ2 3.94Å; P74-W98 HydrophobicContact CG-CB 4.25Å; P74-W98 HydrophobicContact CG-CD2 4.41Å; P74-W98 HydrophobicContact CG-CG 3.83Å; A79-W98 HydrophobicContact CB-CH2 4.32Å; A79-W98 HydrophobicContact CB-CZ3 4.31Å; F94-W98 HydrophobicContact CB-CB 4.36Å; F94-W98 WeakPolarHBondContact CB-O 3.33Å; F94-W98 HydrophobicContact CD1-CB 4.19Å; F94-W98 PolarHBondContact N-O 2.84Å; N95-W98 PolarHBondContact N-O 3.29Å; N95-W98 PolarHBondContact OD1-N 3.16Å; W98-F112 HydrophobicContact CB-CD1 4.29Å; W98-F112 HydrophobicContact CD2-CB 4.3Å; W98-F112 HydrophobicContact CE3-CB 3.66Å; W98-F112 HydrophobicContact CZ3-CB 4.06Å; W98-P114 HydrophobicContact CE3-CB 4.26Å; W98-P114 HydrophobicContact CH2-CB 4.45Å; W98-P114 HydrophobicContact CZ3-CB 3.96Å; W98-P114 HydrophobicContact CZ3-CG 4.43Å
99	W	98.4	Very high	95.9	Very high	38 Å²	38	49.5 Å²	49.5	14%	0.144	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	161.4	166.4	-61.1	-14.2	0	0	0	109.6	F57 V90 F112 I113 P116 Y177	F57-W99 HydrophobicContact CE2-CE3 4.43Å; F57-W99 HydrophobicContact CE2-CH2 4.11Å; F57-W99 AromaticContact CE2-CZ3 3.9Å; F57-W99 HydrophobicContact CE2-CZ3 3.9Å; F57-W99 HydrophobicContact CZ-CD2 4.48Å; F57-W99 HydrophobicContact CZ-CE3 4.2Å; F57-W99 HydrophobicContact CZ-CH2 4.07Å; F57-W99 HydrophobicContact CZ-CZ2 4.37Å; F57-W99 AromaticContact CZ-CZ3 4Å; F57-W99 HydrophobicContact CZ-CZ3 4Å; V90-W99 HydrophobicContact CG1-CB 4.14Å; V90-W99 HydrophobicContact CG1-CD2 4.48Å; V90-W99 HydrophobicContact CG1-CE3 4.34Å; V90-W99 HydrophobicContact CG1-CG 4.45Å; V90-W99 HydrophobicContact CG2-CE3 3.79Å; V90-W99 HydrophobicContact CG2-CZ3 4.21Å; W99-F112 WeakPolarHBondContact O-CA 3.19Å; W99-I113 HydrophobicContact CB-CB 4.32Å; W99-I113 HydrophobicContact CE3-CG2 4.41Å; W99-I113 PolarHBondContact N-O 2.91Å; W99-I113 PolarHBondContact O-N 2.9Å; W99-P116 HydrophobicContact CH2-CG 3.99Å; W99-P116 VanDerWaalsContact CZ2-CD 3.44Å; W99-P116 HydrophobicContact CZ2-CG 4.12Å; W99-Y177 HydrophobicContact CE3-CE2 4.25Å; W99-Y177 AromaticContact CH2-CD2 3.84Å; W99-Y177 HydrophobicContact CH2-CD2 3.84Å; W99-Y177 HydrophobicContact CH2-CE2 4.2Å; W99-Y177 AromaticContact CZ3-CD2 3.58Å; W99-Y177 HydrophobicContact CZ3-CD2 3.58Å; W99-Y177 AromaticContact CZ3-CE2 3.7Å; W99-Y177 HydrophobicContact CZ3-CE2 3.7Å
100	I	98.3	Very high	95.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128	170.7	-49.7	-172.3	0	0	0	108.6	Q46 L47 A50 K91 E92 F94 I110 F112	Q46-I100 HydrophobicContact CG-CD1 3.88Å; L47-I100 HydrophobicContact CD1-CG2 3.45Å; L47-I100 VanDerWaalsContact CD1-CG2 3.45Å; A50-I100 HydrophobicContact CB-CB 4.38Å; A50-I100 HydrophobicContact CB-CD1 4.39Å; A50-I100 HydrophobicContact CB-CG2 3.68Å; K91-I100 PolarHBondContact N-O 2.87Å; E92-I100 HydrophobicContact CG-CB 4.13Å; E92-I100 HydrophobicContact CG-CD1 4.22Å; E92-I100 HydrophobicContact CG-CG1 4.25Å; E92-I100 PolarHBondContact N-O 3.26Å; E92-I100 PolarHBondContact O-N 2.72Å; F94-I100 HydrophobicContact CB-CD1 4.21Å; F94-I100 HydrophobicContact CB-CG1 3.86Å; F94-I100 HydrophobicContact CD2-CD1 4.16Å; I100-I110 HydrophobicContact CG2-CD1 3.65Å; I100-I110 HydrophobicContact CG2-CG1 3.72Å; I100-F112 HydrophobicContact CD1-CE1 4.25Å; I100-F112 HydrophobicContact CG1-CD1 4.32Å; I100-F112 HydrophobicContact CG1-CE1 4.12Å
101	G	97.8	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-167	-178.6	0	0	0	0	0	112.2	I80 H89 I110 G111	I80-G101 VanDerWaalsContact CD1-O 3.23Å; I80-G101 WeakPolarHBondContact CD1-O 3.35Å; H89-G101 CarbonylContact O-C 3.56Å; H89-G101 WeakPolarHBondContact O-CA 3.11Å; G101-I110 CarbonylContact O-C 3.55Å; G101-I110 WeakPolarHBondContact O-CA 3.5Å; G101-I110 VanDerWaalsContact O-CG1 3.27Å; G101-I110 WeakPolarHBondContact O-CG1 3.46Å; G101-G111 PolarHBondContact N-O 2.99Å; G101-G111 VanDerWaalsContact N-O 3.08Å; G101-G111 PolarHBondContact O-N 2.91Å; G101-G111 VanDerWaalsContact O-O 3.1Å
102	R	97	Very high	95.8	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.4	177.4	61.9	177.9	-68.8	-89.9	-1.6	112.5	L88 H89 K105 C108 E109 S365	L88-R102 CarbonylContact C-O 3.54Å; L88-R102 WeakPolarHBondContact CA-O 3.41Å; H89-R102 HydrophobicContact CB-CG 4.02Å; H89-R102 PolarHBondContact N-O 3.22Å; H89-R102 PolarHBondContact O-N 2.93Å; R102-K105 PolarHBondContact NH2-O 2.88Å; R102-C108 PolarHBondContact NE-O 3.42Å; R102-C108 PolarHBondContact NH2-O 2.82Å; R102-C108 VanDerWaalsContact NH2-O 3.15Å; R102-E109 WeakPolarHBondContact CB-O 3.41Å; R102-S365 PolarHBondContact NH1-O 3.31Å; R102-S365 PolarHBondContact NH2-O 3.4Å
103	L	97.4	Very high	95.9	Very high	20 Å²	20	46.6 Å²	46.6	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.5	164	-177.3	64.3	0	0	0	109.2	I80 D86 L88 K105 C108	I80-L103 HydrophobicContact CG2-CB 4.25Å; D86-L103 HydrophobicContact CB-CD1 3.79Å; L88-L103 HydrophobicContact CD2-CB 4.31Å; L88-L103 HydrophobicContact CD2-CD1 3.82Å; L103-K105 HydrophobicContact CD2-CB 4.2Å; L103-K105 HydrophobicContact CD2-CD 4.12Å; L103-K105 HydrophobicContact CG-CB 4.05Å; L103-K105 PolarHBondContact O-N 3.45Å; L103-C108 HydrophobicContact CB-CB 4.07Å
104	V	97.1	Very high	95.9	Very high	23 Å²	23	41 Å²	41	14%	0.139	22%	0.221	C	C	.	.	S	Bend	trans	-81.4	72.3	179.9	-176	0	0	0	0	109.6	F87 H89 Y362 T366	F87-V104 HydrophobicContact CB-CB 4.03Å; F87-V104 HydrophobicContact CB-CG2 4.12Å; F87-V104 WeakPolarHBondContact O-CB 3.26Å; F87-V104 WeakPolarHBondContact O-CG2 3.48Å; F87-V104 PolarHBondContact O-N 2.95Å; H89-V104 HydrophobicContact CB-CG2 4.21Å; H89-V104 VanDerWaalsContact CD2-CG2 3.43Å; H89-V104 WeakPolarHBondContact CD2-CG2 3.46Å; V104-Y362 HydrophobicContact CG1-CE2 4.25Å; V104-T366 HydrophobicContact CG1-CG2 3.46Å; V104-T366 VanDerWaalsContact CG1-CG2 3.46Å
105	K	94	Very high	95.9	Very high	125 Å²	125	38.7 Å²	38.7	54%	0.543	21%	0.211	S	C	.	.	S	Bend	trans	-148.4	142.3	-177.6	-176.9	173.5	-177.3	174.4	0	109.7	R102 L103 C108 S365	R102-K105 PolarHBondContact NH2-O 2.88Å; L103-K105 HydrophobicContact CD2-CB 4.2Å; L103-K105 HydrophobicContact CD2-CD 4.12Å; L103-K105 HydrophobicContact CG-CB 4.05Å; L103-K105 PolarHBondContact O-N 3.45Å; K105-C108 HydrophobicContact CB-CB 4.31Å; K105-C108 WeakPolarHBondContact O-CB 3.45Å; K105-C108 PolarHBondContact O-N 3.31Å; K105-C108 VanDerWaalsContact O-N 3.16Å; K105-S365 PolarHBondContact N-O 2.87Å
106	E	90.8	Very high	95.9	Very high	109 Å²	109	38.1 Å²	38.1	51%	0.509	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	140.7	176.4	-170.3	160.4	-151.7	0	0	111.1	C108 R364 S365	E106-C108 PolarHBondContact O-N 2.89Å; E106-R364 WeakPolarHBondContact OE1-CD 3.3Å; E106-S365 PolarHBondContact N-OG 3.26Å
107	G	87.9	Confident	95.8	Very high	77 Å²	77	36.8 Å²	36.8	79%	0.794	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	-13.2	-173.3	0	0	0	0	0	116.2	E109	G107-E109 PolarHBondContact O-N 3.46Å
108	C	92.6	Very high	95.7	Very high	37 Å²	37	35.3 Å²	35.3	25%	0.25	20%	0.198	C	C	.	.			trans	-81.4	112.1	179.6	-66.8	0	0	0	0	112.6	R102 L103 K105 E106	R102-C108 PolarHBondContact NE-O 3.42Å; R102-C108 PolarHBondContact NH2-O 2.82Å; R102-C108 VanDerWaalsContact NH2-O 3.15Å; L103-C108 HydrophobicContact CB-CB 4.07Å; K105-C108 HydrophobicContact CB-CB 4.31Å; K105-C108 WeakPolarHBondContact O-CB 3.45Å; K105-C108 PolarHBondContact O-N 3.31Å; K105-C108 VanDerWaalsContact O-N 3.16Å; E106-C108 PolarHBondContact O-N 2.89Å
109	E	92.9	Very high	95.6	Very high	130 Å²	130	36.1 Å²	36.1	61%	0.607	20%	0.203	S	C	*	.			trans	-72.2	-179.5	174.3	-82.2	-153.1	-137.8	0	0	113.9	K51 R102 G107	K51-E109 WeakPolarHBondContact CE-OE2 3.43Å; K51-E109 IonicContact NZ-OE2 2.81Å; K51-E109 PolarHBondContact NZ-OE2 3.11Å; R102-E109 WeakPolarHBondContact CB-O 3.41Å; G107-E109 PolarHBondContact O-N 3.46Å
110	I	95.6	Very high	95.2	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	145.1	175	-158.2	172.9	0	0	0	111.2	L47 A50 K51 K91 I100 G101	L47-I110 HydrophobicContact CD1-CB 4.35Å; L47-I110 HydrophobicContact CD1-CG1 4.04Å; L47-I110 HydrophobicContact CD1-CG2 3.76Å; L47-I110 HydrophobicContact CG-CG2 4.12Å; A50-I110 VanDerWaalsContact C-CD1 3.42Å; A50-I110 HydrophobicContact CB-CD1 3.57Å; A50-I110 WeakPolarHBondContact O-CD1 3.19Å; K51-I110 HydrophobicContact CD-CG2 4.2Å; K51-I110 HydrophobicContact CG-CB 4.45Å; K51-I110 HydrophobicContact CG-CG2 3.49Å; K51-I110 VanDerWaalsContact CG-CG2 3.49Å; K91-I110 HydrophobicContact CB-CD1 4.46Å; K91-I110 HydrophobicContact CG-CD1 3.83Å; I100-I110 HydrophobicContact CG2-CD1 3.65Å; I100-I110 HydrophobicContact CG2-CG1 3.72Å; G101-I110 CarbonylContact O-C 3.55Å; G101-I110 WeakPolarHBondContact O-CA 3.5Å; G101-I110 VanDerWaalsContact O-CG1 3.27Å; G101-I110 WeakPolarHBondContact O-CG1 3.46Å
111	G	97	Very high	94.9	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	-174.6	-179.2	0	0	0	0	0	112.2	M78 G101	M78-G111 CarbonylContact O-C 3.45Å; M78-G111 VanDerWaalsContact O-CA 3.31Å; M78-G111 WeakPolarHBondContact O-CA 3.12Å; G101-G111 PolarHBondContact N-O 2.99Å; G101-G111 VanDerWaalsContact N-O 3.08Å; G101-G111 PolarHBondContact O-N 2.91Å; G101-G111 VanDerWaalsContact O-O 3.1Å
112	F	98.1	Very high	94.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.4	178.1	-65	-78	0	0	0	111.3	A43 L47 V73 P74 V75 M78 A79 I80 F94 W98 W99 I100	A43-F112 HydrophobicContact CB-CZ 4.11Å; L47-F112 HydrophobicContact CB-CZ 4.31Å; L47-F112 HydrophobicContact CD2-CD2 4.46Å; L47-F112 HydrophobicContact CD2-CE2 3.89Å; L47-F112 HydrophobicContact CD2-CZ 4.46Å; V73-F112 HydrophobicContact CG1-CB 4.33Å; V73-F112 HydrophobicContact CG1-CD2 4.25Å; P74-F112 HydrophobicContact CB-CD1 4.34Å; P74-F112 HydrophobicContact CB-CE1 3.92Å; P74-F112 HydrophobicContact CB-CE2 4.23Å; P74-F112 HydrophobicContact CB-CZ 3.88Å; P74-F112 HydrophobicContact CG-CD1 3.88Å; P74-F112 HydrophobicContact CG-CE1 3.91Å; P74-F112 HydrophobicContact CG-CG 4.25Å; P74-F112 HydrophobicContact CG-CZ 4.32Å; V75-F112 HydrophobicContact CB-CE2 3.92Å; V75-F112 HydrophobicContact CG2-CE2 3.75Å; V75-F112 HydrophobicContact CG2-CZ 4.18Å; M78-F112 HydrophobicContact CB-CD2 3.99Å; M78-F112 HydrophobicContact CB-CE2 4.24Å; M78-F112 PolarHBondContact O-N 3.05Å; A79-F112 WeakPolarHBondContact CA-O 3.17Å; I80-F112 PolarHBondContact N-O 2.84Å; F94-F112 HydrophobicContact CB-CE1 4.31Å; F94-F112 HydrophobicContact CD1-CE1 4.1Å; F94-F112 HydrophobicContact CD2-CE1 4.11Å; F94-F112 HydrophobicContact CE1-CE1 4.47Å; F94-F112 HydrophobicContact CE2-CE1 4.48Å; F94-F112 AromaticContact CG-CE1 3.91Å; F94-F112 HydrophobicContact CG-CE1 3.91Å; W98-F112 HydrophobicContact CB-CD1 4.29Å; W98-F112 HydrophobicContact CD2-CB 4.3Å; W98-F112 HydrophobicContact CE3-CB 3.66Å; W98-F112 HydrophobicContact CZ3-CB 4.06Å; W99-F112 WeakPolarHBondContact O-CA 3.19Å; I100-F112 HydrophobicContact CD1-CE1 4.25Å; I100-F112 HydrophobicContact CG1-CD1 4.32Å; I100-F112 HydrophobicContact CG1-CE1 4.12Å
113	I	98.4	Very high	94.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.1	176.7	-63.9	166.7	0	0	0	107.3	I80 F82 L88 W99 S115 Y177	I80-I113 HydrophobicContact CB-CG1 4.35Å; I80-I113 HydrophobicContact CD1-CD1 4.44Å; I80-I113 HydrophobicContact CD1-CG1 4.03Å; F82-I113 HydrophobicContact CE1-CG2 4.39Å; L88-I113 HydrophobicContact CB-CD1 4.1Å; L88-I113 HydrophobicContact CD1-CD1 4.17Å; L88-I113 HydrophobicContact CD1-CG1 4.44Å; L88-I113 HydrophobicContact CD1-CG2 3.8Å; W99-I113 HydrophobicContact CB-CB 4.32Å; W99-I113 HydrophobicContact CE3-CG2 4.41Å; W99-I113 PolarHBondContact N-O 2.91Å; W99-I113 PolarHBondContact O-N 2.9Å; I113-S115 PolarHBondContact O-N 2.84Å; I113-Y177 HydrophobicContact CG2-CE2 4.5Å; I113-Y177 WeakPolarHBondContact CG2-OH 3.32Å
114	P	97.6	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.4	177.9	29.2	-36.1	0	0	0	110.4	Y65 F82 D97 W98 K118 L119 Y177	Y65-P114 HydrophobicContact CD1-CG 3.65Å; Y65-P114 HydrophobicContact CD2-CG 4.14Å; Y65-P114 HydrophobicContact CE1-CG 3.69Å; Y65-P114 HydrophobicContact CE2-CG 4.17Å; Y65-P114 HydrophobicContact CG-CG 3.88Å; F82-P114 HydrophobicContact CE1-CG 4.29Å; F82-P114 HydrophobicContact CZ-CG 4.35Å; D97-P114 CarbonylContact O-C 3.51Å; D97-P114 WeakPolarHBondContact O-CA 3.37Å; W98-P114 HydrophobicContact CE3-CB 4.26Å; W98-P114 HydrophobicContact CH2-CB 4.45Å; W98-P114 HydrophobicContact CZ3-CB 3.96Å; W98-P114 HydrophobicContact CZ3-CG 4.43Å; P114-K118 HydrophobicContact CB-CB 4.15Å; P114-K118 HydrophobicContact CB-CG 3.98Å; P114-L119 HydrophobicContact CB-CD2 4.05Å; P114-L119 HydrophobicContact CB-CG 4.07Å; P114-L119 HydrophobicContact CG-CD1 4.47Å; P114-L119 HydrophobicContact CG-CD2 3.66Å; P114-L119 HydrophobicContact CG-CG 3.99Å; P114-Y177 WeakPolarHBondContact O-CE2 3.39Å; P114-Y177 PolarHBondContact O-OH 2.68Å
115	S	97.6	Very high	93.2	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	28%	0.283	C	S	.	.			trans	-71.1	163.6	176.9	89.8	0	0	0	0	111	N96 D97 I113 V117 K118 L119	N96-S115 VanDerWaalsContact O-CB 3.3Å; N96-S115 WeakPolarHBondContact O-CB 3.38Å; N96-S115 PolarHBondContact O-OG 3.39Å; D97-S115 PolarHBondContact O-N 3.17Å; I113-S115 PolarHBondContact O-N 2.84Å; S115-V117 PolarHBondContact O-N 3.28Å; S115-V117 VanDerWaalsContact O-N 3.09Å; S115-V117 PolarHBondContact OG-N 2.83Å; S115-V117 VanDerWaalsContact OG-N 3.14Å; S115-K118 PolarHBondContact O-N 3.17Å; S115-K118 VanDerWaalsContact O-N 3.1Å; S115-K118 PolarHBondContact OG-N 3.2Å; S115-L119 PolarHBondContact O-N 2.89Å
116	P	96.1	Very high	92.8	Very high	50 Å²	50	52.7 Å²	52.7	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-53.6	-28.5	171.3	-27.7	35.6	0	0	0	114.1	W99 E120 P176 Y177	W99-P116 HydrophobicContact CH2-CG 3.99Å; W99-P116 VanDerWaalsContact CZ2-CD 3.44Å; W99-P116 HydrophobicContact CZ2-CG 4.12Å; P116-E120 PolarHBondContact O-N 3.3Å; P116-P176 HydrophobicContact CB-CG 3.92Å; P116-P176 HydrophobicContact CG-CG 4.44Å; P116-Y177 HydrophobicContact CG-CD2 3.83Å; P116-Y177 HydrophobicContact CG-CE2 4.23Å
117	V	94.3	Very high	92.7	Very high	82 Å²	82	51.2 Å²	51.2	50%	0.497	28%	0.278	S	S	.	.	H	α-helix	trans	-75.4	-45	177.8	-179.1	0	0	0	0	110.5	S115 E120 N121	S115-V117 PolarHBondContact O-N 3.28Å; S115-V117 VanDerWaalsContact O-N 3.09Å; S115-V117 PolarHBondContact OG-N 2.83Å; S115-V117 VanDerWaalsContact OG-N 3.14Å; V117-E120 PolarHBondContact O-N 2.93Å; V117-N121 WeakPolarHBondContact O-CB 3.06Å; V117-N121 PolarHBondContact O-N 2.69Å; V117-N121 PolarHBondContact O-ND2 3.35Å
118	K	94.4	Very high	92.6	Very high	23 Å²	23	52.2 Å²	52.2	10%	0.1	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-42.9	176.1	-176.6	59.4	164.5	-173.3	0	111.6	D71 D72 D97 P114 S115 N121 T122	D71-K118 WeakPolarHBondContact O-CE 3.42Å; D71-K118 PolarHBondContact O-NZ 3.15Å; D72-K118 IonicContact OD2-NZ 2.76Å; D97-K118 HydrophobicContact CB-CB 3.94Å; D97-K118 HydrophobicContact CB-CD 4.07Å; D97-K118 HydrophobicContact CB-CG 4.2Å; D97-K118 WeakPolarHBondContact O-CB 3.48Å; P114-K118 HydrophobicContact CB-CB 4.15Å; P114-K118 HydrophobicContact CB-CG 3.98Å; S115-K118 PolarHBondContact O-N 3.17Å; S115-K118 VanDerWaalsContact O-N 3.1Å; S115-K118 PolarHBondContact OG-N 3.2Å; K118-N121 PolarHBondContact O-N 3.31Å; K118-T122 WeakPolarHBondContact O-CB 3.42Å; K118-T122 PolarHBondContact O-N 2.91Å; K118-T122 PolarHBondContact O-OG1 3.46Å
119	L	93.8	Very high	92.2	Very high	22 Å²	22	56.7 Å²	56.7	12%	0.115	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-45.4	177.2	-73	176.8	0	0	0	112.6	V63 Y65 P114 S115 T122 R123 P176 Y177	V63-L119 HydrophobicContact CG2-CD1 4.16Å; Y65-L119 HydrophobicContact CD2-CD2 3.98Å; Y65-L119 HydrophobicContact CG-CD2 4.23Å; P114-L119 HydrophobicContact CB-CD2 4.05Å; P114-L119 HydrophobicContact CB-CG 4.07Å; P114-L119 HydrophobicContact CG-CD1 4.47Å; P114-L119 HydrophobicContact CG-CD2 3.66Å; P114-L119 HydrophobicContact CG-CG 3.99Å; S115-L119 PolarHBondContact O-N 2.89Å; L119-T122 PolarHBondContact O-N 3.49Å; L119-R123 VanDerWaalsContact O-CB 3.3Å; L119-R123 WeakPolarHBondContact O-CB 3.37Å; L119-R123 PolarHBondContact O-N 3.22Å; L119-P176 HydrophobicContact CD1-CB 3.63Å; L119-P176 HydrophobicContact CD1-CG 4.14Å; L119-Y177 HydrophobicContact CD1-CE1 4.21Å; L119-Y177 HydrophobicContact CD1-CE2 4.19Å
120	E	91.2	Very high	91.8	Very high	67 Å²	67	53.8 Å²	53.8	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-70.2	-36.2	177.7	-171.9	62.5	-166.4	0	0	111.7	P116 V117 R123 I124	P116-E120 PolarHBondContact O-N 3.3Å; V117-E120 PolarHBondContact O-N 2.93Å; E120-R123 PolarHBondContact O-N 2.86Å; E120-R123 IonicContact OE1-NH1 2.67Å; E120-R123 WeakPolarHBondContact OE2-CD 3.42Å; E120-R123 IonicContact OE2-CZ 3.17Å; E120-R123 IonicContact OE2-NE 3.5Å; E120-R123 IonicContact OE2-NH1 2.68Å; E120-R123 PolarHBondContact OE2-NH1 3.34Å; E120-I124 HydrophobicContact CG-CD1 4Å; E120-I124 WeakPolarHBondContact O-CB 3.41Å; E120-I124 VanDerWaalsContact O-CG1 3.24Å; E120-I124 WeakPolarHBondContact O-CG1 3.35Å; E120-I124 PolarHBondContact O-N 3.31Å
121	N	91.4	Very high	91.1	Very high	82 Å²	82	58.9 Å²	58.9	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-49.2	172.3	-74.4	-20.1	0	0	0	112	V117 K118 R123 I124 L125	V117-N121 WeakPolarHBondContact O-CB 3.06Å; V117-N121 PolarHBondContact O-N 2.69Å; V117-N121 PolarHBondContact O-ND2 3.35Å; K118-N121 PolarHBondContact O-N 3.31Å; N121-R123 PolarHBondContact O-N 3.22Å; N121-I124 PolarHBondContact O-N 3.49Å; N121-L125 WeakPolarHBondContact O-CB 3.2Å; N121-L125 PolarHBondContact O-N 2.96Å
122	T	88.9	Confident	89.8	Confident	23 Å²	23	64.1 Å²	64.1	14%	0.141	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-42.2	177.5	-66.1	0	0	0	0	111.1	K118 L119 L125 Q126	K118-T122 WeakPolarHBondContact O-CB 3.42Å; K118-T122 PolarHBondContact O-N 2.91Å; K118-T122 PolarHBondContact O-OG1 3.46Å; L119-T122 PolarHBondContact O-N 3.49Å; T122-L125 PolarHBondContact O-N 2.8Å; T122-Q126 WeakPolarHBondContact O-CG 3.22Å; T122-Q126 PolarHBondContact O-N 3.36Å
123	R	89.1	Confident	87.9	Confident	112 Å²	112	66.6 Å²	66.6	42%	0.423	34%	0.343	S	S	.	.	H	α-helix	trans	-59.2	-48.6	173.2	178.2	-159	173.6	173.1	4	112.1	L119 E120 N121 L125 Q126 E127	L119-R123 VanDerWaalsContact O-CB 3.3Å; L119-R123 WeakPolarHBondContact O-CB 3.37Å; L119-R123 PolarHBondContact O-N 3.22Å; E120-R123 PolarHBondContact O-N 2.86Å; E120-R123 IonicContact OE1-NH1 2.67Å; E120-R123 WeakPolarHBondContact OE2-CD 3.42Å; E120-R123 IonicContact OE2-CZ 3.17Å; E120-R123 IonicContact OE2-NE 3.5Å; E120-R123 IonicContact OE2-NH1 2.68Å; E120-R123 PolarHBondContact OE2-NH1 3.34Å; N121-R123 PolarHBondContact O-N 3.22Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 3.14Å; R123-Q126 PolarHBondContact O-N 3.25Å; R123-E127 IonicContact NE-OE1 3.2Å; R123-E127 PolarHBondContact NE-OE1 2.85Å; R123-E127 IonicContact NH2-OE1 3.93Å; R123-E127 WeakPolarHBondContact O-CB 3.48Å; R123-E127 PolarHBondContact O-N 3Å
124	I	88.6	Confident	85.8	Confident	71 Å²	71	75.2 Å²	75.2	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-38.6	178.4	-74	166.9	0	0	0	110.7	E120 N121 Q128	E120-I124 HydrophobicContact CG-CD1 4Å; E120-I124 WeakPolarHBondContact O-CB 3.41Å; E120-I124 VanDerWaalsContact O-CG1 3.24Å; E120-I124 WeakPolarHBondContact O-CG1 3.35Å; E120-I124 PolarHBondContact O-N 3.31Å; N121-I124 PolarHBondContact O-N 3.49Å; I124-Q128 WeakPolarHBondContact O-CG 3.48Å; I124-Q128 PolarHBondContact O-N 3.45Å
125	L	87.4	Confident	83.6	Confident	81 Å²	81	82.9 Å²	82.9	42%	0.424	41%	0.414	S	S	.	.	H	α-helix	trans	-67.4	-44.1	175.7	-177.5	60.6	0	0	0	112.2	N121 T122 R123 Q128 R129	N121-L125 WeakPolarHBondContact O-CB 3.2Å; N121-L125 PolarHBondContact O-N 2.96Å; T122-L125 PolarHBondContact O-N 2.8Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 3.14Å; L125-Q128 PolarHBondContact O-N 3.3Å; L125-R129 WeakPolarHBondContact O-CG 3.08Å; L125-R129 PolarHBondContact O-N 2.87Å
126	Q	85.4	Confident	81.1	Confident	125 Å²	125	90 Å²	90	58%	0.584	45%	0.447	S	S	*	.	H	α-helix	trans	-60.6	-44.6	173.6	-72.9	176.7	6.5	0	0	111.5	T122 R123 Q128 R129 A130	T122-Q126 WeakPolarHBondContact O-CG 3.22Å; T122-Q126 PolarHBondContact O-N 3.36Å; R123-Q126 PolarHBondContact O-N 3.25Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 3.36Å; Q126-R129 PolarHBondContact O-N 3.08Å; Q126-A130 WeakPolarHBondContact O-CB 3.38Å; Q126-A130 PolarHBondContact O-N 2.64Å
127	E	87.8	Confident	78.7	Confident	78 Å²	78	93.4 Å²	93.4	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-37.8	174.6	-85.1	-161.2	-141.6	0	0	112.4	R123 K131	R123-E127 IonicContact NE-OE1 3.2Å; R123-E127 PolarHBondContact NE-OE1 2.85Å; R123-E127 IonicContact NH2-OE1 3.93Å; R123-E127 WeakPolarHBondContact O-CB 3.48Å; R123-E127 PolarHBondContact O-N 3Å; E127-K131 WeakPolarHBondContact O-CB 3.37Å; E127-K131 WeakPolarHBondContact O-CD 3.41Å; E127-K131 VanDerWaalsContact O-CE 3.3Å; E127-K131 WeakPolarHBondContact O-CE 3.49Å; E127-K131 WeakPolarHBondContact O-CG 3.4Å; E127-K131 PolarHBondContact O-N 2.67Å; E127-K131 VanDerWaalsContact O-N 3.15Å; E127-K131 IonicContact OE2-NZ 3.83Å; E127-K131 PolarHBondContact OE2-NZ 2.72Å
128	Q	87	Confident	76.4	Confident	98 Å²	98	94.3 Å²	94.3	46%	0.458	48%	0.481	S	S	.	.	H	α-helix	trans	-68.9	-46	174.6	-76.2	-178.4	61.3	0	0	112	I124 L125 Q126 A130 K131 Q132	I124-Q128 WeakPolarHBondContact O-CG 3.48Å; I124-Q128 PolarHBondContact O-N 3.45Å; L125-Q128 PolarHBondContact O-N 3.3Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 3.36Å; Q128-A130 VanDerWaalsContact C-N 3.33Å; Q128-A130 PolarHBondContact O-N 3.35Å; Q128-K131 PolarHBondContact O-N 2.81Å; Q128-K131 VanDerWaalsContact O-N 3.09Å; Q128-Q132 WeakPolarHBondContact O-CG 3.47Å; Q128-Q132 PolarHBondContact O-N 3.16Å
129	R	84.4	Confident	74.2	Confident	130 Å²	130	102.7 Å²	102.7	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-57.6	-44	174.8	-73.1	176	174.2	-168.5	-2.5	111.4	D70 L125 Q126 K131 Q132 G133	D70-R129 IonicContact OD2-CZ 2.59Å; D70-R129 IonicContact OD2-NH1 2.85Å; D70-R129 PolarHBondContact OD2-NH1 2.92Å; D70-R129 IonicContact OD2-NH2 3.39Å; D70-R129 PolarHBondContact OD2-NH2 3.39Å; L125-R129 WeakPolarHBondContact O-CG 3.08Å; L125-R129 PolarHBondContact O-N 2.87Å; Q126-R129 PolarHBondContact O-N 3.08Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.02Å; R129-Q132 PolarHBondContact O-N 3.42Å; R129-G133 PolarHBondContact O-N 2.88Å
130	A	83	Confident	71.8	Confident	69 Å²	69	110.3 Å²	110.3	57%	0.57	56%	0.558	S	S	*	*	H	α-helix	trans	-64.7	-29.8	176.1	0	0	0	0	0	113.7	Q126 Q128	Q126-A130 WeakPolarHBondContact O-CB 3.38Å; Q126-A130 PolarHBondContact O-N 2.64Å; Q128-A130 VanDerWaalsContact C-N 3.33Å; Q128-A130 PolarHBondContact O-N 3.35Å
131	K	82.4	Confident	69.1	Low	119 Å²	119	110.7 Å²	110.7	52%	0.517	58%	0.579	S	S	.	*	H	α-helix	trans	-78	-36.7	174.7	-69.5	158.9	-159.3	168.7	0	111.6	E127 Q128 R129	E127-K131 WeakPolarHBondContact O-CB 3.37Å; E127-K131 WeakPolarHBondContact O-CD 3.41Å; E127-K131 VanDerWaalsContact O-CE 3.3Å; E127-K131 WeakPolarHBondContact O-CE 3.49Å; E127-K131 WeakPolarHBondContact O-CG 3.4Å; E127-K131 PolarHBondContact O-N 2.67Å; E127-K131 VanDerWaalsContact O-N 3.15Å; E127-K131 IonicContact OE2-NZ 3.83Å; E127-K131 PolarHBondContact OE2-NZ 2.72Å; Q128-K131 PolarHBondContact O-N 2.81Å; Q128-K131 VanDerWaalsContact O-N 3.09Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.02Å
132	Q	69.3	Low	66.7	Low	112 Å²	112	111.2 Å²	111.2	52%	0.523	60%	0.595	S	S	.	*	H	α-helix	trans	-73.1	-35.6	176.1	-70.2	176.4	7	0	0	113.1	Q128 R129 K134 F135 H136	Q128-Q132 WeakPolarHBondContact O-CG 3.47Å; Q128-Q132 PolarHBondContact O-N 3.16Å; R129-Q132 PolarHBondContact O-N 3.42Å; Q132-K134 PolarHBondContact O-N 3.17Å; Q132-F135 PolarHBondContact O-N 2.94Å; Q132-H136 PolarHBondContact O-CD2 3.34Å
133	G	57.9	Low	64.2	Low	51 Å²	51	117.1 Å²	117.1	53%	0.526	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-56	-19.9	-179.8	0	0	0	0	0	115	R129 F135	R129-G133 PolarHBondContact O-N 2.88Å; G133-F135 VanDerWaalsContact C-N 3.28Å; G133-F135 PolarHBondContact O-N 3.41Å
134	K	54.9	Low	61.7	Low	182 Å²	182	117.8 Å²	117.8	79%	0.791	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-75.1	-8.4	174.4	-64.7	-170.6	176.8	-174.1	0	114.8	Q132	Q132-K134 PolarHBondContact O-N 3.17Å
135	F	50.8	Low	59.1	Low	161 Å²	161	119.2 Å²	119.2	71%	0.706	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-109.4	-4.9	-177.3	-70	-79.5	0	0	0	114.9	Q132 G133	Q132-F135 PolarHBondContact O-N 2.94Å; G133-F135 VanDerWaalsContact C-N 3.28Å; G133-F135 PolarHBondContact O-N 3.41Å
136	H	44.9	Very low	56.7	Low	153 Å²	153	121 Å²	121	71%	0.708	68%	0.683	S	S	*	*	S	Bend	trans	-105.3	3.7	-175.1	-69.7	-75.9	0	0	0	115.2	Q132 S138	Q132-H136 PolarHBondContact O-CD2 3.34Å; H136-S138 VanDerWaalsContact C-N 3.26Å; H136-S138 PolarHBondContact O-N 3.25Å
137	S	45.2	Very low	54.4	Low	121 Å²	121	120.3 Å²	120.3	85%	0.846	69%	0.692	S	S	*	*	S	Bend	trans	-87.6	38	176.7	-171.6	0	0	0	0	113.6
138	S	45.6	Very low	52	Low	101 Å²	101	124.9 Å²	124.9	71%	0.706	72%	0.718	S	S	*	*	S	Bend	trans	-142.9	28.8	-171.5	59.6	0	0	0	0	115	H136	H136-S138 VanDerWaalsContact C-N 3.26Å; H136-S138 PolarHBondContact O-N 3.25Å
139	K	50	Low	49.6	Very low	199 Å²	199	123.6 Å²	123.6	87%	0.865	73%	0.732	S	S	*	*			trans	-154.5	92.4	168.4	-137	171.3	-171	177	0	114.1
140	L	42.9	Very low	47.3	Very low	182 Å²	182	126.3 Å²	126.3	95%	0.953	75%	0.75	S	S	*	*	S	Bend	trans	174.9	145.2	143.9	-95.8	171	0	0	0	108.9
141	G	34.5	Very low	45.2	Very low	74 Å²	74	129.4 Å²	129.4	76%	0.763	76%	0.761	S	S	*	*			trans	87	111.8	-179.4	0	0	0	0	0	114.1
142	A	40.4	Very low	43.1	Very low	93 Å²	93	130.1 Å²	130.1	77%	0.769	78%	0.775	S	S	*	*			trans	-145.7	94.1	-178	0	0	0	0	0	110.9
143	N	36.9	Very low	42.3	Very low	148 Å²	148	129.6 Å²	129.6	79%	0.791	78%	0.781	S	S	*	*			trans	-146.1	93.2	-173.9	-65.9	87.3	0	0	0	112
144	S	36.8	Very low	41.1	Very low	126 Å²	126	134.3 Å²	134.3	88%	0.881	80%	0.795	S	S	*	*			trans	64.1	150.3	156.5	-61.1	0	0	0	0	118.8
145	S	34.3	Very low	40.2	Very low	101 Å²	101	128.7 Å²	128.7	71%	0.706	78%	0.778	S	S	*	*			cis	-156	137.5	-4.4	46.2	0	0	0	0	112.4
146	S	37.2	Very low	39.7	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	79%	0.786	S	S	*	*			trans	27.9	121.3	148.8	60.5	0	0	0	0	122.4
147	S	36.3	Very low	39.4	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	79%	0.791	S	S	*	*				-160.6	112.6	126.4	-161	0	0	0	0	114.1
148	L	38.1	Very low	39.4	Very low	174 Å²	174	133.6 Å²	133.6	91%	0.911	79%	0.791	S	S	*	*			trans	30.3	135.2	145.6	-56.4	171.4	0	0	0	123.3
149	G	36.1	Very low	39.1	Very low	72 Å²	72	134.2 Å²	134.2	74%	0.742	79%	0.79	S	S	*	*			trans	102.4	113.9	168.4	0	0	0	0	0	113.7
150	E	35.6	Very low	38.7	Very low	187 Å²	187	130 Å²	130	87%	0.874	78%	0.784	S	S	*	*			cis	67.2	117.9	26.1	-156.6	174.7	-169.4	0	0	113.1
151	V	38.4	Very low	38.6	Very low	134 Å²	134	127.5 Å²	127.5	81%	0.812	78%	0.778	S	S	*	*			cis	-131.4	168	12.2	-122.7	0	0	0	0	114.2
152	V	39.2	Very low	38.7	Very low	133 Å²	133	129.1 Å²	129.1	81%	0.806	78%	0.777	S	S	*	*			trans	-99.9	166.3	177.4	144.1	0	0	0	0	109.2
153	P	51.3	Low	38.8	Very low	101 Å²	101	130.5 Å²	130.5	66%	0.656	78%	0.781	S	S	*	*			cis	-142.3	175.9	20.1	41.9	-22.1	0	0	0	119.5
154	N	32.9	Very low	38.9	Very low	151 Å²	151	127.4 Å²	127.4	81%	0.807	78%	0.777	S	S	*	*			trans	67.3	159.4	141.3	-99.2	-22.8	0	0	0	120.5
155	S	36.4	Very low	39.2	Very low	63 Å²	63	131.3 Å²	131.3	44%	0.441	78%	0.778	S	S	.	*			cis	-157.8	143.9	-4.7	-143.8	0	0	0	0	111.1
156	R	40.5	Very low	39.6	Very low	233 Å²	233	134.7 Å²	134.7	88%	0.879	78%	0.782	S	S	*	*			trans	66.5	150.1	161.4	-50.5	149	-159.9	-149.3	-0.6	113.7
157	K	38.8	Very low	40	Very low	185 Å²	185	138.6 Å²	138.6	80%	0.804	79%	0.785	S	S	*	*			cis	-160.4	141.5	30.7	-174.4	179	-180	-178.6	0	110.2
158	S	46.1	Very low	40.3	Very low	120 Å²	120	142.3 Å²	142.3	84%	0.839	79%	0.79	S	S	*	*			trans	-65.7	132.4	171.4	-40.5	0	0	0	0	111.5
159	T	38.7	Very low	40.7	Very low	115 Å²	115	142.8 Å²	142.8	71%	0.706	79%	0.785	S	S	*	*			trans	-135.4	133.8	162.7	46.8	0	0	0	0	108.5
160	P	41	Very low	40.9	Very low	111 Å²	111	144.7 Å²	144.7	72%	0.721	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-67.2	157	176.1	30.8	-35.6	0	0	0	110.5	S162	P160-S162 PolarHBondContact O-N 3.36Å; P160-S162 VanDerWaalsContact O-N 3.14Å
161	P	42.2	Very low	41.7	Very low	129 Å²	129	141.5 Å²	141.5	84%	0.838	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.2	167	25.7	-33.3	0	0	0	108.4
162	S	35.3	Very low	42.8	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.3	152.3	-175.4	58.9	0	0	0	0	110.7	P160 A164	P160-S162 PolarHBondContact O-N 3.36Å; P160-S162 VanDerWaalsContact O-N 3.14Å; S162-A164 PolarHBondContact O-N 2.91Å
163	S	43.3	Very low	44.6	Very low	122 Å²	122	141.5 Å²	141.5	85%	0.853	76%	0.762	S	S	*	*			trans	-71.3	69.7	-177.9	-50.1	0	0	0	0	111.9	K165	S163-K165 PolarHBondContact O-N 3.09Å
164	A	39.5	Very low	46.1	Very low	84 Å²	84	142.1 Å²	142.1	69%	0.694	76%	0.759	S	S	*	*			trans	-54.1	104.1	161.2	0	0	0	0	0	106.9	S162 Q166	S162-A164 PolarHBondContact O-N 2.91Å; A164-Q166 PolarHBondContact O-N 2.98Å
165	K	43.2	Very low	49	Very low	207 Å²	207	137.7 Å²	137.7	90%	0.9	74%	0.738	S	S	*	*			trans	-79.1	54.5	-175.5	-149.1	170.1	-171.3	175	0	109.6	S163 K167	S163-K165 PolarHBondContact O-N 3.09Å; K165-K167 PolarHBondContact O-N 3.17Å
166	Q	42.6	Very low	51.7	Low	172 Å²	172	135.8 Å²	135.8	80%	0.804	72%	0.724	S	S	*	*			trans	-48	115.7	169.9	-171.1	178.3	16.5	0	0	106	A164 Q168	A164-Q166 PolarHBondContact O-N 2.98Å; Q166-Q168 VanDerWaalsContact C-N 3.3Å; Q166-Q168 PolarHBondContact O-N 3.48Å
167	K	44.3	Very low	54.4	Low	200 Å²	200	125.4 Å²	125.4	87%	0.87	69%	0.685	S	S	*	*			trans	-60	94.9	-172.8	-179.4	179	-178.8	-178.6	0	107.5	K165 K169	K165-K167 PolarHBondContact O-N 3.17Å; K167-K169 PolarHBondContact O-N 2.87Å
168	Q	42.4	Very low	57.1	Low	188 Å²	188	117 Å²	117	88%	0.879	65%	0.649	S	S	*	*			trans	-58.3	103	-175.9	-77.1	-177.3	-68.2	0	0	107.3	Q166 S170	Q166-Q168 VanDerWaalsContact C-N 3.3Å; Q166-Q168 PolarHBondContact O-N 3.48Å; Q168-S170 PolarHBondContact O-N 2.87Å
169	K	46.3	Very low	59.5	Low	185 Å²	185	115.1 Å²	115.1	80%	0.804	63%	0.632	S	S	*	*			trans	-51.7	114.4	161.6	-178	178.6	-177.5	-179.2	0	103.9	K167 T171	K167-K169 PolarHBondContact O-N 2.87Å; K169-T171 PolarHBondContact O-N 2.98Å
170	S	40.9	Very low	62.3	Low	111 Å²	111	109.8 Å²	109.8	78%	0.776	60%	0.599	S	S	*	*			trans	-66.2	87.1	179.9	52.2	0	0	0	0	107.4	Q168 E172	Q168-S170 PolarHBondContact O-N 2.87Å; S170-E172 VanDerWaalsContact C-N 3.27Å; S170-E172 PolarHBondContact O-N 2.95Å
171	T	53.1	Low	65	Low	120 Å²	120	104.6 Å²	104.6	74%	0.736	57%	0.566	S	S	*	*			trans	-64.1	94.9	173.4	45.6	0	0	0	0	106	K169 H173	K169-T171 PolarHBondContact O-N 2.98Å; T171-H173 PolarHBondContact O-N 3.11Å; T171-H173 VanDerWaalsContact O-N 3.1Å
172	E	61.6	Low	67.6	Low	141 Å²	141	99.1 Å²	99.1	66%	0.659	53%	0.53	S	S	*	.			trans	-47.7	118.3	175.2	-174.5	171.6	-173.9	0	0	107.7	S170 I174	S170-E172 VanDerWaalsContact C-N 3.27Å; S170-E172 PolarHBondContact O-N 2.95Å; E172-I174 VanDerWaalsContact C-N 3.31Å; E172-I174 PolarHBondContact O-N 3.05Å
173	H	76.6	Confident	70.6	Confident	127 Å²	127	94 Å²	94	59%	0.588	50%	0.495	S	S	*	.			trans	-72.2	91.2	-173.5	-179	-71.7	0	0	0	108.6	T171 P175	T171-H173 PolarHBondContact O-N 3.11Å; T171-H173 VanDerWaalsContact O-N 3.1Å; H173-P175 WeakPolarHBondContact O-CD 3.29Å
174	I	83.6	Confident	73.2	Confident	114 Å²	114	89.6 Å²	89.6	59%	0.585	46%	0.459	S	S	*	.			trans	-60.3	118.3	177.9	-56.7	179.3	0	0	0	107.5	N62 E172	N62-I174 HydrophobicContact CB-CG2 3.76Å; E172-I174 VanDerWaalsContact C-N 3.31Å; E172-I174 PolarHBondContact O-N 3.05Å
175	P	91.9	Very high	76	Confident	58 Å²	58	85.6 Å²	85.6	38%	0.377	43%	0.426	S	S	.	.			trans	-67.5	148.5	176.6	29.8	-34.7	0	0	0	109.6	N62 H173 Y177	N62-P175 WeakPolarHBondContact CB-O 3.07Å; N62-P175 PolarHBondContact ND2-O 2.98Å; H173-P175 WeakPolarHBondContact O-CD 3.29Å; P175-Y177 PolarHBondContact O-N 2.87Å; P175-Y177 VanDerWaalsContact O-N 3.08Å
176	P	94.8	Very high	78.7	Confident	22 Å²	22	75.8 Å²	75.8	14%	0.143	38%	0.384	C	S	.	.	S	Bend	trans	-60.8	-22.8	-179.4	24.4	-34	0	0	0	112.9	N62 V63 P116 L119	N62-P176 PolarHBondContact N-O 3.05Å; V63-P176 HydrophobicContact CG2-CB 3.73Å; P116-P176 HydrophobicContact CB-CG 3.92Å; P116-P176 HydrophobicContact CG-CG 4.44Å; L119-P176 HydrophobicContact CD1-CB 3.63Å; L119-P176 HydrophobicContact CD1-CG 4.14Å
177	Y	96.9	Very high	81.3	Confident	15 Å²	15	67.6 Å²	67.6	6%	0.059	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.6	176.2	-58.5	-41.5	0	0	0	110.3	V59 R60 T61 F82 L88 W99 I113 P114 P116 L119 P175	V59-Y177 HydrophobicContact CB-CG 4.3Å; V59-Y177 HydrophobicContact CG2-CD1 4.06Å; V59-Y177 HydrophobicContact CG2-CG 4.05Å; R60-Y177 WeakPolarHBondContact O-CA 3.22Å; T61-Y177 HydrophobicContact CG2-CD1 4.18Å; T61-Y177 HydrophobicContact CG2-CE1 4.07Å; F82-Y177 HydrophobicContact CE1-CE1 4.48Å; F82-Y177 HydrophobicContact CE2-CE1 4.11Å; F82-Y177 AromaticContact CZ-CE1 3.76Å; F82-Y177 HydrophobicContact CZ-CE1 3.76Å; F82-Y177 AromaticContact CZ-CZ 3.98Å; F82-Y177 VanDerWaalsContact CZ-OH 3.26Å; F82-Y177 WeakPolarHBondContact CZ-OH 3.35Å; L88-Y177 HydrophobicContact CD1-CE1 4.06Å; W99-Y177 HydrophobicContact CE3-CE2 4.25Å; W99-Y177 AromaticContact CH2-CD2 3.84Å; W99-Y177 HydrophobicContact CH2-CD2 3.84Å; W99-Y177 HydrophobicContact CH2-CE2 4.2Å; W99-Y177 AromaticContact CZ3-CD2 3.58Å; W99-Y177 HydrophobicContact CZ3-CD2 3.58Å; W99-Y177 AromaticContact CZ3-CE2 3.7Å; W99-Y177 HydrophobicContact CZ3-CE2 3.7Å; I113-Y177 HydrophobicContact CG2-CE2 4.5Å; I113-Y177 WeakPolarHBondContact CG2-OH 3.32Å; P114-Y177 WeakPolarHBondContact O-CE2 3.39Å; P114-Y177 PolarHBondContact O-OH 2.68Å; P116-Y177 HydrophobicContact CG-CD2 3.83Å; P116-Y177 HydrophobicContact CG-CE2 4.23Å; L119-Y177 HydrophobicContact CD1-CE1 4.21Å; L119-Y177 HydrophobicContact CD1-CE2 4.19Å; P175-Y177 PolarHBondContact O-N 2.87Å; P175-Y177 VanDerWaalsContact O-N 3.08Å
178	D	95.3	Very high	83.9	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.053	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.1	159	-67.9	-52.1	0	0	0	108.1	V59 R60 N62 V180 R232	V59-D178 CarbonylContact C-O 3.57Å; V59-D178 WeakPolarHBondContact CA-O 3.35Å; V59-D178 WeakPolarHBondContact CB-O 3.4Å; R60-D178 IonicContact CZ-OD2 2.79Å; R60-D178 PolarHBondContact N-O 3.23Å; R60-D178 IonicContact NE-OD2 2.9Å; R60-D178 IonicContact NH2-OD2 3.8Å; R60-D178 PolarHBondContact NH2-OD2 2.99Å; R60-D178 PolarHBondContact O-N 3.4Å; N62-D178 PolarHBondContact ND2-OD1 3.29Å; N62-D178 PolarHBondContact ND2-OD2 3.48Å; N62-D178 PolarHBondContact OD1-OD2 2.9Å; D178-V180 HydrophobicContact CB-CG1 4.49Å; D178-R232 VanDerWaalsContact OD1-CD 3.27Å; D178-R232 WeakPolarHBondContact OD1-CD 3.44Å; D178-R232 IonicContact OD1-CZ 3.66Å; D178-R232 IonicContact OD1-NE 3.88Å; D178-R232 PolarHBondContact OD1-NE 3.15Å; D178-R232 IonicContact OD2-CZ 3.59Å; D178-R232 IonicContact OD2-NE 2.73Å; D178-R232 PolarHBondContact OD2-NE 3.2Å; D178-R232 IonicContact OD2-NH2 2.67Å
179	V	96.3	Very high	86.5	Confident	79 Å²	79	49.1 Å²	49.1	48%	0.479	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.1	169.5	179.9	0	0	0	0	109.3	V59 F264 S290	V59-V179 HydrophobicContact CG1-CG2 4.29Å; V179-F264 HydrophobicContact CG1-CE1 4.17Å; V179-S290 WeakPolarHBondContact O-CB 3.44Å; V179-S290 PolarHBondContact O-OG 2.76Å
180	V	97.5	Very high	89	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.4	-174.3	-56.1	0	0	0	0	111.2	A58 R60 F87 D178 F264 S290 A292	A58-V180 HydrophobicContact CB-CG2 4.02Å; A58-V180 PolarHBondContact O-N 3.32Å; A58-V180 VanDerWaalsContact O-N 3.11Å; R60-V180 HydrophobicContact CB-CG1 3.77Å; R60-V180 HydrophobicContact CB-CG2 4.47Å; F87-V180 HydrophobicContact CD1-CG2 4.2Å; F87-V180 HydrophobicContact CE1-CG2 4.39Å; D178-V180 HydrophobicContact CB-CG1 4.49Å; V180-F264 WeakPolarHBondContact O-CE1 3.2Å; V180-S290 WeakPolarHBondContact CA-O 3.26Å; V180-S290 WeakPolarHBondContact CG1-O 3.4Å; V180-A292 HydrophobicContact CB-CB 4.28Å; V180-A292 HydrophobicContact CG1-CB 3.84Å
181	P	97.9	Very high	91.6	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.019	19%	0.189	C	C	.	.			trans	-57.7	142.8	173.2	-23.8	34.6	0	0	0	112.2	M183 I263 F264 A267 S290 L291	P181-M183 WeakPolarHBondContact CB-O 3.49Å; P181-M183 PolarHBondContact O-N 2.94Å; P181-I263 HydrophobicContact CG-CG2 4.47Å; P181-F264 HydrophobicContact CG-CD1 4.33Å; P181-F264 HydrophobicContact CG-CD2 3.87Å; P181-F264 HydrophobicContact CG-CE1 4.22Å; P181-F264 HydrophobicContact CG-CE2 3.74Å; P181-F264 HydrophobicContact CG-CG 4.18Å; P181-F264 HydrophobicContact CG-CZ 3.93Å; P181-A267 HydrophobicContact CB-CB 3.59Å; P181-S290 WeakPolarHBondContact CD-O 3.34Å; P181-L291 WeakPolarHBondContact CD-O 3.3Å; P181-L291 HydrophobicContact CG-CD2 4.14Å
182	S	97.1	Very high	93.8	Very high	13 Å²	13	29.6 Å²	29.6	9%	0.091	15%	0.154	C	C	.	.	S	Bend	trans	-64.4	-25.9	-176	-58.8	0	0	0	0	114.1	H89	H89-S182 PolarHBondContact NE2-O 2.86Å
183	M	98	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-117.4	129.1	164.1	-64.5	-65.5	-75.9	0	0	108.1	P181 P185 A267 L270 Q271 L272 Y362 W363 T366	P181-M183 WeakPolarHBondContact CB-O 3.49Å; P181-M183 PolarHBondContact O-N 2.94Å; M183-P185 WeakPolarHBondContact O-CD 3.47Å; M183-A267 HydrophobicContact CB-CB 4.26Å; M183-L270 WeakPolarHBondContact CE-O 3.1Å; M183-L270 VanDerWaalsContact CG-CA 3.47Å; M183-L270 HydrophobicContact CG-CB 4.25Å; M183-L270 HydrophobicContact CG-CD2 4.02Å; M183-L270 HydrophobicContact SD-CB 4.26Å; M183-L270 HydrophobicContact SD-CD2 4.05Å; M183-Q271 WeakPolarHBondContact CB-O 3.49Å; M183-Q271 WeakPolarHBondContact CG-O 3.37Å; M183-L272 HydrophobicContact CE-CD2 3.94Å; M183-Y362 HydrophobicContact CE-CD1 4.32Å; M183-Y362 HydrophobicContact CE-CE1 3.77Å; M183-Y362 HydrophobicContact SD-CE1 4.42Å; M183-W363 HydrophobicContact CE-CE3 4.31Å; M183-W363 HydrophobicContact CE-CZ3 4.47Å; M183-T366 HydrophobicContact CE-CG2 4.08Å; M183-T366 HydrophobicContact SD-CG2 3.55Å; M183-T366 VanDerWaalsContact SD-CG2 3.55Å
184	R	98.1	Very high	96.4	Very high	29 Å²	29	19.8 Å²	19.8	11%	0.109	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-64.7	124.3	177.8	-65.1	174.6	67.7	-164	2.3	109	F87 V186 A292 P293 I294 D340 Y362	F87-R184 HydrophobicContact CD1-CG 4.22Å; F87-R184 HydrophobicContact CE1-CG 3.8Å; F87-R184 HydrophobicContact CZ-CG 4.16Å; F87-R184 VanDerWaalsContact CZ-NE 3.35Å; R184-V186 PolarHBondContact O-N 3.06Å; R184-A292 WeakPolarHBondContact CG-O 3.34Å; R184-A292 PolarHBondContact NE-O 2.93Å; R184-P293 PolarHBondContact NH2-O 3.04Å; R184-I294 HydrophobicContact CB-CD1 3.99Å; R184-I294 HydrophobicContact CB-CG1 3.79Å; R184-D340 IonicContact CZ-OD1 2.64Å; R184-D340 IonicContact CZ-OD2 2.72Å; R184-D340 IonicContact NH1-OD1 3.7Å; R184-D340 PolarHBondContact NH1-OD1 2.9Å; R184-D340 IonicContact NH2-OD1 3.25Å; R184-D340 PolarHBondContact NH2-OD1 3.2Å; R184-D340 IonicContact NH2-OD2 3Å; R184-D340 PolarHBondContact NH2-OD2 3.19Å; R184-Y362 WeakPolarHBondContact CG-OH 3.32Å; R184-Y362 PolarHBondContact N-OH 3.4Å
185	P	98.2	Very high	97	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-68.8	131.7	177	25	-31	0	0	0	110.9	M183 I263 V273 L275 L291 P293 I294	M183-P185 WeakPolarHBondContact O-CD 3.47Å; P185-I263 HydrophobicContact CB-CG2 4.17Å; P185-I263 HydrophobicContact CG-CG2 4.1Å; P185-V273 CarbonylContact C-O 3.54Å; P185-V273 WeakPolarHBondContact CA-O 3.4Å; P185-V273 HydrophobicContact CB-CB 4.44Å; P185-V273 HydrophobicContact CB-CG1 4.28Å; P185-L275 HydrophobicContact CB-CD1 3.7Å; P185-L275 HydrophobicContact CB-CD2 4.4Å; P185-L275 HydrophobicContact CB-CG 3.84Å; P185-L275 HydrophobicContact CG-CD1 4.23Å; P185-L291 WeakPolarHBondContact CD-O 3.47Å; P185-L291 HydrophobicContact CG-CB 4.25Å; P185-P293 HydrophobicContact CG-CB 4.2Å; P185-P293 CarbonylContact O-C 3.55Å; P185-P293 WeakPolarHBondContact O-CA 3.29Å; P185-P293 WeakPolarHBondContact O-CB 3.27Å; P185-I294 PolarHBondContact O-N 2.88Å
186	V	98.6	Very high	97.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.5	176.1	-170.2	0	0	0	0	109.7	R184 L188 V273 V274 L275 I294 V296 L359	R184-V186 PolarHBondContact O-N 3.06Å; V186-L188 HydrophobicContact CG1-CD1 4.13Å; V186-V273 PolarHBondContact N-O 3.38Å; V186-V274 HydrophobicContact CB-CB 4.46Å; V186-V274 HydrophobicContact CB-CG1 4.31Å; V186-V274 HydrophobicContact CB-CG2 4.04Å; V186-V274 HydrophobicContact CG2-CG2 4.18Å; V186-L275 PolarHBondContact O-N 3.08Å; V186-I294 WeakPolarHBondContact CA-O 3.49Å; V186-I294 HydrophobicContact CG1-CG2 4.34Å; V186-I294 HydrophobicContact CG2-CB 4.34Å; V186-I294 HydrophobicContact CG2-CD1 4.35Å; V186-V296 HydrophobicContact CG1-CG2 3.62Å; V186-L359 HydrophobicContact CG2-CD2 3.77Å
187	V	98.3	Very high	97.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	122	-179.6	-175.2	0	0	0	0	109.9	L275 V280 L286 P293 I294 I295 V296	V187-L275 HydrophobicContact CG2-CB 4.28Å; V187-L275 HydrophobicContact CG2-CD1 4.2Å; V187-L275 HydrophobicContact CG2-CG 4.5Å; V187-V280 HydrophobicContact CG1-CB 4.3Å; V187-V280 HydrophobicContact CG1-CG1 3.97Å; V187-L286 HydrophobicContact CB-CD1 4.48Å; V187-L286 HydrophobicContact CG1-CD1 4.22Å; V187-L286 HydrophobicContact CG2-CD1 4.04Å; V187-P293 HydrophobicContact CB-CB 4.46Å; V187-P293 HydrophobicContact CG2-CB 3.71Å; V187-I294 PolarHBondContact N-O 2.91Å; V187-I295 HydrophobicContact CB-CD1 4.25Å; V187-V296 PolarHBondContact O-N 2.91Å
188	L	98.3	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.6	177	-80.5	61.1	0	0	0	111.1	V186 K194 Q203 L206 F207 V296	V186-L188 HydrophobicContact CG1-CD1 4.13Å; L188-K194 WeakPolarHBondContact O-CE 3.3Å; L188-K194 PolarHBondContact O-NZ 2.88Å; L188-Q203 HydrophobicContact CB-CG 4.19Å; L188-Q203 HydrophobicContact CD2-CB 4.19Å; L188-Q203 HydrophobicContact CD2-CG 4.24Å; L188-Q203 PolarHBondContact O-NE2 3.4Å; L188-Q203 PolarHBondContact O-OE1 2.93Å; L188-L206 HydrophobicContact CD2-CB 3.78Å; L188-L206 HydrophobicContact CD2-CD1 3.81Å; L188-L206 HydrophobicContact CD2-CG 4.46Å; L188-F207 HydrophobicContact CB-CZ 4.31Å; L188-F207 HydrophobicContact CD1-CE1 3.87Å; L188-F207 HydrophobicContact CD1-CZ 4.39Å; L188-F207 HydrophobicContact CD2-CD1 4.36Å; L188-F207 HydrophobicContact CD2-CE1 4Å; L188-F207 HydrophobicContact CD2-CZ 4.14Å; L188-F207 HydrophobicContact CG-CE1 4.38Å; L188-V296 WeakPolarHBondContact CA-O 3.44Å; L188-V296 HydrophobicContact CD1-CB 4.12Å; L188-V296 HydrophobicContact CD1-CG2 4.29Å; L188-V296 HydrophobicContact CG-CB 4.16Å; L188-V296 HydrophobicContact CG-CG1 4.37Å
189	V	98.1	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.3	172.7	-62.6	0	0	0	0	110.7	V280 I295 V296 Y297 V298 L331 F339	V189-V280 HydrophobicContact CG1-CG1 4.06Å; V189-I295 HydrophobicContact CG2-CG2 3.67Å; V189-V296 PolarHBondContact N-O 2.7Å; V189-Y297 WeakPolarHBondContact O-CA 3.26Å; V189-V298 PolarHBondContact O-N 3.14Å; V189-L331 HydrophobicContact CG2-CD2 4.29Å; V189-F339 HydrophobicContact CG2-CE1 4.12Å
190	G	97	Very high	97.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	10%	0.098	C	C	.	.			trans	75.2	175.2	-175.8	0	0	0	0	0	114	S192 T199 Q203 V298 L331	G190-S192 VanDerWaalsContact C-N 3.32Å; G190-T199 WeakPolarHBondContact O-CG2 3.4Å; G190-Q203 PolarHBondContact O-NE2 2.96Å; G190-V298 CarbonylContact C-O 3.52Å; G190-L331 VanDerWaalsContact CA-CD1 3.49Å
191	P	97.4	Very high	97.6	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.019	12%	0.122	C	C	.	.	S	Bend	cis	-78.4	-8.9	5.2	32.2	-36.6	0	0	0	114.8	M202 V298 I300 A328	P191-M202 HydrophobicContact CG-CE 4.1Å; P191-M202 HydrophobicContact CG-SD 3.81Å; P191-V298 WeakPolarHBondContact CA-O 3.34Å; P191-V298 WeakPolarHBondContact CB-O 3.16Å; P191-V298 HydrophobicContact CG-CG1 4.5Å; P191-I300 HydrophobicContact CB-CB 4.21Å; P191-I300 HydrophobicContact CB-CD1 3.68Å; P191-I300 HydrophobicContact CB-CG1 3.69Å; P191-I300 HydrophobicContact CG-CD1 3.6Å; P191-I300 HydrophobicContact CG-CG1 4.06Å; P191-A328 WeakPolarHBondContact O-CB 3.43Å
192	S	97.9	Very high	97.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	14%	0.136	C	C	.	.	S	Bend	trans	-141.4	-156.2	172.4	-170.1	0	0	0	0	109.9	G190 Q324	G190-S192 VanDerWaalsContact C-N 3.32Å; S192-Q324 WeakPolarHBondContact OG-CA 3.3Å; S192-Q324 WeakPolarHBondContact OG-CB 3.25Å; S192-Q324 PolarHBondContact OG-O 3.41Å
193	L	96.9	Very high	97.7	Very high	43 Å²	43	24.1 Å²	24.1	23%	0.225	13%	0.133	C	C	.	.			trans	-67.2	141.9	172.2	-65.9	178.6	0	0	0	111.5	Y196 T199 N281 V323 A327	L193-Y196 HydrophobicContact CB-CD2 3.65Å; L193-Y196 HydrophobicContact CB-CE2 3.68Å; L193-Y196 HydrophobicContact CD1-CE2 3.84Å; L193-Y196 HydrophobicContact CG-CE2 4.4Å; L193-T199 WeakPolarHBondContact O-CB 3.47Å; L193-T199 PolarHBondContact O-OG1 3.15Å; L193-N281 VanDerWaalsContact CA-OD1 3.29Å; L193-N281 WeakPolarHBondContact CA-OD1 3.42Å; L193-N281 HydrophobicContact CD2-CB 4.12Å; L193-V323 HydrophobicContact CD1-CG2 3.9Å; L193-A327 HydrophobicContact CD1-CB 4.22Å; L193-A327 HydrophobicContact CD2-CB 3.5Å; L193-A327 HydrophobicContact CG-CB 3.43Å; L193-A327 VanDerWaalsContact CG-CB 3.43Å
194	K	96.9	Very high	97.7	Very high	20 Å²	20	29.6 Å²	29.6	9%	0.087	16%	0.156	C	C	.	.	S	Bend	trans	-68.4	161.9	163.2	-58.4	-168.1	-178.5	-158.4	0	111.5	L188 Y196 T199 D200 A277 V280 N281	L188-K194 WeakPolarHBondContact O-CE 3.3Å; L188-K194 PolarHBondContact O-NZ 2.88Å; K194-Y196 VanDerWaalsContact C-N 3.32Å; K194-T199 HydrophobicContact CG-CG2 4.13Å; K194-D200 VanDerWaalsContact CA-OD1 3.31Å; K194-D200 WeakPolarHBondContact CA-OD1 3.38Å; K194-A277 WeakPolarHBondContact CD-O 3.44Å; K194-A277 WeakPolarHBondContact CE-O 3.4Å; K194-A277 PolarHBondContact NZ-O 2.88Å; K194-V280 WeakPolarHBondContact CE-O 3.49Å; K194-N281 PolarHBondContact N-OD1 3.09Å
195	G	95.9	Very high	97.6	Very high	60 Å²	60	29.6 Å²	29.6	62%	0.619	16%	0.162	S	C	*	.	S	Bend	trans	79.8	16.7	-172.6	0	0	0	0	0	113	D200	G195-D200 VanDerWaalsContact C-OD2 3.25Å; G195-D200 WeakPolarHBondContact CA-OD2 3.33Å; G195-D200 PolarHBondContact N-OD1 2.98Å; G195-D200 PolarHBondContact N-OD2 3.06Å; G195-D200 VanDerWaalsContact N-OD2 3.12Å
196	Y	97.8	Very high	97.7	Very high	41 Å²	41	29.8 Å²	29.8	16%	0.161	16%	0.163	C	C	.	.	S	Bend	trans	-133.6	137.2	176	-64.4	-78.9	0	0	0	109.6	L193 K194 V198 T199 D200 H320 Q324	L193-Y196 HydrophobicContact CB-CD2 3.65Å; L193-Y196 HydrophobicContact CB-CE2 3.68Å; L193-Y196 HydrophobicContact CD1-CE2 3.84Å; L193-Y196 HydrophobicContact CG-CE2 4.4Å; K194-Y196 VanDerWaalsContact C-N 3.32Å; Y196-V198 PolarHBondContact O-N 3.36Å; Y196-T199 PolarHBondContact O-N 3.33Å; Y196-T199 VanDerWaalsContact O-N 3.12Å; Y196-D200 PolarHBondContact N-OD2 3.5Å; Y196-D200 VanDerWaalsContact O-CG 3.26Å; Y196-D200 PolarHBondContact O-N 2.87Å; Y196-H320 HydrophobicContact CD1-CB 4.22Å; Y196-H320 HydrophobicContact CE1-CB 3.48Å; Y196-H320 VanDerWaalsContact CE1-CB 3.48Å; Y196-H320 AromaticContact CE1-CD2 3.81Å; Y196-H320 AromaticContact CE1-CG 3.58Å; Y196-Q324 HydrophobicContact CD1-CG 4.23Å; Y196-Q324 HydrophobicContact CD2-CG 3.88Å; Y196-Q324 HydrophobicContact CE1-CG 4.46Å; Y196-Q324 HydrophobicContact CE2-CG 4.13Å; Y196-Q324 HydrophobicContact CG-CG 3.91Å
197	E	97.8	Very high	97.6	Very high	60 Å²	60	30.6 Å²	30.6	28%	0.28	17%	0.167	S	C	.	.	H	α-helix	trans	-53.3	-34.7	-168.3	-70.3	166.4	-126.4	0	0	114.4	M201 R313 Q317	E197-M201 WeakPolarHBondContact O-CB 3.38Å; E197-M201 WeakPolarHBondContact O-CG 3.36Å; E197-M201 PolarHBondContact O-N 3.38Å; E197-R313 HydrophobicContact CB-CG 4.34Å; E197-R313 IonicContact OE2-CZ 3.17Å; E197-R313 IonicContact OE2-NE 2.7Å; E197-R313 PolarHBondContact OE2-NE 3.36Å; E197-R313 IonicContact OE2-NH2 2.71Å; E197-R313 PolarHBondContact OE2-NH2 2.68Å; E197-Q317 HydrophobicContact CB-CG 4.28Å; E197-Q317 HydrophobicContact CG-CG 4.31Å; E197-Q317 WeakPolarHBondContact OE1-CG 3.47Å; E197-Q317 PolarHBondContact OE1-NE2 2.97Å
198	V	97.8	Very high	97.6	Very high	11 Å²	11	33.7 Å²	33.7	7%	0.067	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-53.5	180	-178.7	0	0	0	0	110.9	Y196 M202 L306 L309 I310 R313	Y196-V198 PolarHBondContact O-N 3.36Å; V198-M202 HydrophobicContact CG1-SD 4.11Å; V198-M202 WeakPolarHBondContact O-CB 3.19Å; V198-M202 VanDerWaalsContact O-CG 3.24Å; V198-M202 WeakPolarHBondContact O-CG 3.3Å; V198-M202 PolarHBondContact O-N 2.91Å; V198-L306 HydrophobicContact CG1-CD1 4.13Å; V198-L309 HydrophobicContact CG1-CB 4.18Å; V198-L309 HydrophobicContact CG2-CB 4.44Å; V198-I310 HydrophobicContact CG2-CG1 3.99Å; V198-R313 HydrophobicContact CG2-CG 3.82Å
199	T	97.8	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-48.7	179.1	-51.7	0	0	0	0	111.1	G190 L193 K194 Y196 M201 M202 Q203	G190-T199 WeakPolarHBondContact O-CG2 3.4Å; L193-T199 WeakPolarHBondContact O-CB 3.47Å; L193-T199 PolarHBondContact O-OG1 3.15Å; K194-T199 HydrophobicContact CG-CG2 4.13Å; Y196-T199 PolarHBondContact O-N 3.33Å; Y196-T199 VanDerWaalsContact O-N 3.12Å; T199-M201 PolarHBondContact O-N 2.77Å; T199-M202 PolarHBondContact O-N 3.26Å; T199-Q203 HydrophobicContact CG2-CG 4.42Å; T199-Q203 WeakPolarHBondContact O-CG 3.29Å; T199-Q203 PolarHBondContact O-N 2.91Å
200	D	97.4	Very high	97.5	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	20%	0.197	S	C	.	.	H	α-helix	trans	-68.3	-39	-171	-58.8	-12.7	0	0	0	111.2	K194 G195 Y196 K204	K194-D200 VanDerWaalsContact CA-OD1 3.31Å; K194-D200 WeakPolarHBondContact CA-OD1 3.38Å; G195-D200 VanDerWaalsContact C-OD2 3.25Å; G195-D200 WeakPolarHBondContact CA-OD2 3.33Å; G195-D200 PolarHBondContact N-OD1 2.98Å; G195-D200 PolarHBondContact N-OD2 3.06Å; G195-D200 VanDerWaalsContact N-OD2 3.12Å; Y196-D200 PolarHBondContact N-OD2 3.5Å; Y196-D200 VanDerWaalsContact O-CG 3.26Å; Y196-D200 PolarHBondContact O-N 2.87Å; D200-K204 VanDerWaalsContact O-CB 3.26Å; D200-K204 WeakPolarHBondContact O-CB 3.39Å; D200-K204 PolarHBondContact O-N 3.23Å
201	M	97.2	Very high	97.5	Very high	104 Å²	104	42.5 Å²	42.5	51%	0.512	22%	0.222	S	C	.	.	H	α-helix	trans	-69	-38.9	175.3	-70	-178.9	63.8	0	0	112.6	E197 T199 K204 A205 R313	E197-M201 WeakPolarHBondContact O-CB 3.38Å; E197-M201 WeakPolarHBondContact O-CG 3.36Å; E197-M201 PolarHBondContact O-N 3.38Å; T199-M201 PolarHBondContact O-N 2.77Å; M201-K204 PolarHBondContact O-N 3.45Å; M201-A205 PolarHBondContact O-N 2.94Å; M201-A205 VanDerWaalsContact O-N 3.12Å; M201-R313 VanDerWaalsContact SD-CZ 3.6Å; M201-R313 PolarHBondContact SD-NH1 3.3Å; M201-R313 VanDerWaalsContact SD-NH1 3.42Å
202	M	97.6	Very high	97.5	Very high	64 Å²	64	48.2 Å²	48.2	32%	0.315	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-45.3	177.4	-71.7	178	71	0	0	111.6	P191 V198 T199 K204 A205 L206 V298 I300	P191-M202 HydrophobicContact CG-CE 4.1Å; P191-M202 HydrophobicContact CG-SD 3.81Å; V198-M202 HydrophobicContact CG1-SD 4.11Å; V198-M202 WeakPolarHBondContact O-CB 3.19Å; V198-M202 VanDerWaalsContact O-CG 3.24Å; V198-M202 WeakPolarHBondContact O-CG 3.3Å; V198-M202 PolarHBondContact O-N 2.91Å; T199-M202 PolarHBondContact O-N 3.26Å; M202-K204 PolarHBondContact O-N 2.94Å; M202-A205 PolarHBondContact O-N 3.47Å; M202-L206 PolarHBondContact O-N 3.36Å; M202-V298 HydrophobicContact CE-CG1 4.01Å; M202-I300 HydrophobicContact CE-CD1 4.1Å; M202-I300 HydrophobicContact CE-CG1 4.26Å; M202-I300 HydrophobicContact SD-CD1 4.07Å
203	Q	98.1	Very high	97.4	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-36.8	175.3	-66.2	-163	5.2	0	0	112.1	L188 G190 T199 A205 L206 F207	L188-Q203 HydrophobicContact CB-CG 4.19Å; L188-Q203 HydrophobicContact CD2-CB 4.19Å; L188-Q203 HydrophobicContact CD2-CG 4.24Å; L188-Q203 PolarHBondContact O-NE2 3.4Å; L188-Q203 PolarHBondContact O-OE1 2.93Å; G190-Q203 PolarHBondContact O-NE2 2.96Å; T199-Q203 HydrophobicContact CG2-CG 4.42Å; T199-Q203 WeakPolarHBondContact O-CG 3.29Å; T199-Q203 PolarHBondContact O-N 2.91Å; Q203-A205 VanDerWaalsContact C-N 3.34Å; Q203-A205 PolarHBondContact O-N 3.46Å; Q203-L206 PolarHBondContact O-N 2.96Å; Q203-F207 HydrophobicContact CB-CD2 4.47Å; Q203-F207 HydrophobicContact CB-CE2 4.11Å; Q203-F207 WeakPolarHBondContact O-CD2 3.28Å; Q203-F207 WeakPolarHBondContact O-CG 3.32Å; Q203-F207 PolarHBondContact O-N 2.81Å
204	K	97.6	Very high	97.4	Very high	114 Å²	114	50.8 Å²	50.8	50%	0.496	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-42	175.5	-165.1	-160.4	-178.5	-57.2	0	112.2	D200 M201 M202 L206 F207 D208	D200-K204 VanDerWaalsContact O-CB 3.26Å; D200-K204 WeakPolarHBondContact O-CB 3.39Å; D200-K204 PolarHBondContact O-N 3.23Å; M201-K204 PolarHBondContact O-N 3.45Å; M202-K204 PolarHBondContact O-N 2.94Å; K204-L206 VanDerWaalsContact C-N 3.31Å; K204-L206 PolarHBondContact O-N 3.28Å; K204-F207 PolarHBondContact O-N 3.24Å; K204-D208 IonicContact NZ-OD1 2.91Å; K204-D208 PolarHBondContact NZ-OD1 2.99Å; K204-D208 IonicContact NZ-OD2 2.75Å; K204-D208 PolarHBondContact NZ-OD2 3.38Å; K204-D208 WeakPolarHBondContact O-CB 3.38Å; K204-D208 VanDerWaalsContact O-CG 3.25Å; K204-D208 PolarHBondContact O-N 3.36Å
205	A	98.1	Very high	97.4	Very high	29 Å²	29	57.2 Å²	57.2	24%	0.24	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-42.5	177.5	0	0	0	0	0	111.9	M201 M202 Q203 D208 F209 L348	M201-A205 PolarHBondContact O-N 2.94Å; M201-A205 VanDerWaalsContact O-N 3.12Å; M202-A205 PolarHBondContact O-N 3.47Å; Q203-A205 VanDerWaalsContact C-N 3.34Å; Q203-A205 PolarHBondContact O-N 3.46Å; A205-D208 PolarHBondContact O-N 3.41Å; A205-F209 PolarHBondContact O-N 3.19Å; A205-L348 HydrophobicContact CB-CD1 3.9Å; A205-L348 HydrophobicContact CB-CD2 3.97Å
206	L	98.3	Very high	97.3	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-41.3	175.3	-63.8	170.8	0	0	0	112.2	L188 M202 Q203 K204 F209 L210 V298 L343 L348 M355	L188-L206 HydrophobicContact CD2-CB 3.78Å; L188-L206 HydrophobicContact CD2-CD1 3.81Å; L188-L206 HydrophobicContact CD2-CG 4.46Å; M202-L206 PolarHBondContact O-N 3.36Å; Q203-L206 PolarHBondContact O-N 2.96Å; K204-L206 VanDerWaalsContact C-N 3.31Å; K204-L206 PolarHBondContact O-N 3.28Å; L206-F209 PolarHBondContact O-N 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.2Å; L206-L210 PolarHBondContact O-N 2.98Å; L206-V298 HydrophobicContact CD1-CG2 3.46Å; L206-V298 VanDerWaalsContact CD1-CG2 3.46Å; L206-L343 HydrophobicContact CD1-CD1 4.3Å; L206-L343 HydrophobicContact CD2-CD1 4.43Å; L206-L348 HydrophobicContact CD2-CD1 3.98Å; L206-L348 HydrophobicContact CG-CD1 4.49Å; L206-M355 HydrophobicContact CB-CE 4.04Å; L206-M355 HydrophobicContact CD2-CE 3.81Å; L206-M355 HydrophobicContact CG-CE 4.46Å
207	F	97.8	Very high	97.2	Very high	18 Å²	18	58.3 Å²	58.3	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-41.5	174.1	-67.7	-47.5	0	0	0	112.7	L188 Q203 K204 F209 L210 K211 I220 V274 D276	L188-F207 HydrophobicContact CB-CZ 4.31Å; L188-F207 HydrophobicContact CD1-CE1 3.87Å; L188-F207 HydrophobicContact CD1-CZ 4.39Å; L188-F207 HydrophobicContact CD2-CD1 4.36Å; L188-F207 HydrophobicContact CD2-CE1 4Å; L188-F207 HydrophobicContact CD2-CZ 4.14Å; L188-F207 HydrophobicContact CG-CE1 4.38Å; Q203-F207 HydrophobicContact CB-CD2 4.47Å; Q203-F207 HydrophobicContact CB-CE2 4.11Å; Q203-F207 WeakPolarHBondContact O-CD2 3.28Å; Q203-F207 WeakPolarHBondContact O-CG 3.32Å; Q203-F207 PolarHBondContact O-N 2.81Å; K204-F207 PolarHBondContact O-N 3.24Å; F207-F209 VanDerWaalsContact C-N 3.34Å; F207-L210 PolarHBondContact O-N 3.29Å; F207-K211 WeakPolarHBondContact O-CB 3.3Å; F207-K211 PolarHBondContact O-N 3.39Å; F207-I220 WeakPolarHBondContact O-CD1 3.36Å; F207-V274 HydrophobicContact CD1-CG1 3.8Å; F207-V274 HydrophobicContact CE1-CG1 3.54Å; F207-D276 HydrophobicContact CE2-CB 3.92Å; F207-D276 WeakPolarHBondContact CE2-OD1 3.37Å; F207-D276 HydrophobicContact CZ-CB 3.99Å
208	D	97.6	Very high	97.2	Very high	66 Å²	66	56.8 Å²	56.8	35%	0.353	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-41.2	176.6	-71.7	-20.3	0	0	0	110.7	K204 A205 H212	K204-D208 IonicContact NZ-OD1 2.91Å; K204-D208 PolarHBondContact NZ-OD1 2.99Å; K204-D208 IonicContact NZ-OD2 2.75Å; K204-D208 PolarHBondContact NZ-OD2 3.38Å; K204-D208 WeakPolarHBondContact O-CB 3.38Å; K204-D208 VanDerWaalsContact O-CG 3.25Å; K204-D208 PolarHBondContact O-N 3.36Å; A205-D208 PolarHBondContact O-N 3.41Å; D208-H212 PolarHBondContact O-ND1 3.45Å
209	F	97.8	Very high	97.1	Very high	62 Å²	62	57.6 Å²	57.6	27%	0.272	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-54.2	173	167.2	-98.6	0	0	0	112	A205 L206 F207 K211 H212 R213 C352 M355 A356	A205-F209 PolarHBondContact O-N 3.19Å; L206-F209 PolarHBondContact O-N 3.31Å; F207-F209 VanDerWaalsContact C-N 3.34Å; F209-K211 PolarHBondContact O-N 2.95Å; F209-H212 PolarHBondContact O-N 2.93Å; F209-H212 VanDerWaalsContact O-N 3.09Å; F209-R213 HydrophobicContact CD1-CB 4.4Å; F209-R213 HydrophobicContact CD2-CB 4.41Å; F209-R213 HydrophobicContact CE1-CB 3.97Å; F209-R213 HydrophobicContact CE1-CG 3.97Å; F209-R213 HydrophobicContact CE2-CB 3.98Å; F209-R213 HydrophobicContact CE2-CG 4.15Å; F209-R213 HydrophobicContact CZ-CB 3.75Å; F209-R213 HydrophobicContact CZ-CG 3.56Å; F209-R213 WeakPolarHBondContact O-CB 3.44Å; F209-R213 PolarHBondContact O-N 3.22Å; F209-C352 HydrophobicContact CD1-CB 3.61Å; F209-C352 HydrophobicContact CD2-CB 3.81Å; F209-C352 HydrophobicContact CE1-CB 3.56Å; F209-C352 WeakPolarHBondContact CE1-O 3.4Å; F209-C352 HydrophobicContact CE2-CB 3.76Å; F209-C352 HydrophobicContact CG-CB 3.73Å; F209-C352 WeakPolarHBondContact CG-SG 3.42Å; F209-C352 HydrophobicContact CZ-CB 3.62Å; F209-C352 WeakPolarHBondContact CZ-O 3.41Å; F209-M355 HydrophobicContact CD1-CE 4.08Å; F209-M355 HydrophobicContact CE1-CE 4.48Å; F209-A356 HydrophobicContact CE1-CB 4.06Å; F209-A356 HydrophobicContact CZ-CB 4.05Å
210	L	97.6	Very high	97.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.8	-38.7	-177.8	-76.1	176.3	0	0	0	112.3	L206 F207 H212 F214 I218 I220 M355 L359	L206-L210 WeakPolarHBondContact O-CG 3.2Å; L206-L210 PolarHBondContact O-N 2.98Å; F207-L210 PolarHBondContact O-N 3.29Å; L210-H212 VanDerWaalsContact C-N 3.3Å; L210-H212 PolarHBondContact O-N 2.96Å; L210-F214 HydrophobicContact CD2-CD2 3.89Å; L210-F214 HydrophobicContact CD2-CE2 3.79Å; L210-F214 PolarHBondContact O-N 3.39Å; L210-F214 VanDerWaalsContact O-N 3.11Å; L210-I218 HydrophobicContact CB-CD1 3.88Å; L210-I220 HydrophobicContact CB-CD1 4.49Å; L210-M355 HydrophobicContact CD1-CE 3.93Å; L210-M355 HydrophobicContact CD1-SD 3.87Å; L210-M355 HydrophobicContact CD2-CE 3.75Å; L210-M355 HydrophobicContact CD2-CG 4.34Å; L210-M355 HydrophobicContact CD2-SD 4.18Å; L210-M355 HydrophobicContact CG-CE 3.63Å; L210-M355 HydrophobicContact CG-SD 4.19Å; L210-L359 HydrophobicContact CD2-CD1 3.6Å
211	K	96.4	Very high	97	Very high	124 Å²	124	58.7 Å²	58.7	54%	0.539	30%	0.295	S	S	.	.	H	α-helix	trans	-55.8	-43.2	178.6	-169.8	-168.6	172.4	-161	0	112.5	F207 F209 E215 I220	F207-K211 WeakPolarHBondContact O-CB 3.3Å; F207-K211 PolarHBondContact O-N 3.39Å; F209-K211 PolarHBondContact O-N 2.95Å; K211-E215 PolarHBondContact O-N 3.33Å; K211-I220 HydrophobicContact CB-CD1 3.75Å; K211-I220 HydrophobicContact CG-CD1 4.31Å
212	H	96.6	Very high	96.9	Very high	122 Å²	122	60.4 Å²	60.4	57%	0.565	30%	0.296	S	S	*	.	H	α-helix	trans	-85.7	-42.1	-179	-57.6	98.4	0	0	0	111.4	D208 F209 L210 F214 E215	D208-H212 PolarHBondContact O-ND1 3.45Å; F209-H212 PolarHBondContact O-N 2.93Å; F209-H212 VanDerWaalsContact O-N 3.09Å; L210-H212 VanDerWaalsContact C-N 3.3Å; L210-H212 PolarHBondContact O-N 2.96Å; H212-F214 PolarHBondContact O-N 3.19Å; H212-E215 PolarHBondContact O-N 2.71Å
213	R	97.1	Very high	96.8	Very high	98 Å²	98	57.4 Å²	57.4	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-23.1	-177.6	-178.6	58	177.9	72.6	4	114.1	F209 A356 E360	F209-R213 HydrophobicContact CD1-CB 4.4Å; F209-R213 HydrophobicContact CD2-CB 4.41Å; F209-R213 HydrophobicContact CE1-CB 3.97Å; F209-R213 HydrophobicContact CE1-CG 3.97Å; F209-R213 HydrophobicContact CE2-CB 3.98Å; F209-R213 HydrophobicContact CE2-CG 4.15Å; F209-R213 HydrophobicContact CZ-CB 3.75Å; F209-R213 HydrophobicContact CZ-CG 3.56Å; F209-R213 WeakPolarHBondContact O-CB 3.44Å; F209-R213 PolarHBondContact O-N 3.22Å; R213-A356 HydrophobicContact CG-CB 4.18Å; R213-E360 IonicContact NH1-OE2 2.61Å
214	F	97.2	Very high	96.4	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	27.1	178.9	-63.8	-84	0	0	0	113.1	L210 H212 G216 R217 I218 L272 A356 L359	L210-F214 HydrophobicContact CD2-CD2 3.89Å; L210-F214 HydrophobicContact CD2-CE2 3.79Å; L210-F214 PolarHBondContact O-N 3.39Å; L210-F214 VanDerWaalsContact O-N 3.11Å; H212-F214 PolarHBondContact O-N 3.19Å; F214-G216 PolarHBondContact O-N 3.22Å; F214-R217 CarbonylContact O-C 3.56Å; F214-R217 WeakPolarHBondContact O-CA 3.43Å; F214-R217 PolarHBondContact O-N 3.31Å; F214-I218 HydrophobicContact CB-CB 3.84Å; F214-I218 HydrophobicContact CB-CD1 4.12Å; F214-I218 HydrophobicContact CB-CG2 4.1Å; F214-I218 WeakPolarHBondContact O-CB 3.38Å; F214-I218 WeakPolarHBondContact O-CG2 3.38Å; F214-I218 PolarHBondContact O-N 2.92Å; F214-I218 VanDerWaalsContact O-N 3.11Å; F214-L272 HydrophobicContact CB-CD1 4.22Å; F214-L272 HydrophobicContact CD1-CD1 3.58Å; F214-L272 HydrophobicContact CE1-CD1 4.04Å; F214-L272 HydrophobicContact CG-CD1 3.85Å; F214-A356 HydrophobicContact CE2-CB 4.14Å; F214-A356 HydrophobicContact CZ-CB 4.12Å; F214-L359 HydrophobicContact CE1-CB 4.39Å; F214-L359 HydrophobicContact CE2-CB 4.34Å; F214-L359 HydrophobicContact CE2-CD1 4.35Å; F214-L359 HydrophobicContact CZ-CB 3.85Å
215	E	95.4	Very high	96.1	Very high	154 Å²	154	56.8 Å²	56.8	72%	0.72	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	138.5	178	-173.8	163.6	-150.3	0	0	112	K211 H212 R217	K211-E215 PolarHBondContact O-N 3.33Å; H212-E215 PolarHBondContact O-N 2.71Å; E215-R217 PolarHBondContact O-N 3.05Å
216	G	94.1	Very high	95.8	Very high	63 Å²	63	57.2 Å²	57.2	65%	0.649	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-20	-172.6	0	0	0	0	0	115.8	F214 Q271	F214-G216 PolarHBondContact O-N 3.22Å; G216-Q271 PolarHBondContact O-NE2 3.31Å
217	R	96.6	Very high	95.5	Very high	62 Å²	62	57 Å²	57	23%	0.234	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-7.7	178.5	-61.3	-167.5	-68.2	157.8	-4	114.2	F214 E215 Q271 L272 E360 W363	F214-R217 CarbonylContact O-C 3.56Å; F214-R217 WeakPolarHBondContact O-CA 3.43Å; F214-R217 PolarHBondContact O-N 3.31Å; E215-R217 PolarHBondContact O-N 3.05Å; R217-Q271 WeakPolarHBondContact O-CB 3.2Å; R217-L272 PolarHBondContact O-N 3.3Å; R217-E360 IonicContact CZ-OE1 3.76Å; R217-E360 IonicContact CZ-OE2 2.75Å; R217-E360 IonicContact NH1-OE1 3.55Å; R217-E360 PolarHBondContact NH1-OE1 2.74Å; R217-E360 IonicContact NH1-OE2 3.6Å; R217-E360 IonicContact NH2-OE1 3.73Å; R217-E360 PolarHBondContact NH2-OE1 3.24Å; R217-E360 IonicContact NH2-OE2 3.01Å; R217-E360 PolarHBondContact NH2-OE2 2.82Å; R217-W363 HydrophobicContact CB-CH2 3.93Å; R217-W363 HydrophobicContact CB-CZ2 4.41Å; R217-W363 HydrophobicContact CB-CZ3 4.08Å; R217-W363 HydrophobicContact CG-CH2 4.06Å; R217-W363 HydrophobicContact CG-CZ2 4.1Å; R217-W363 VanDerWaalsContact NH1-CD1 3.34Å
218	I	97	Very high	95.2	Very high	27 Å²	27	56.9 Å²	56.9	14%	0.138	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.2	-171.3	-162.3	170	0	0	0	113.4	L210 F214 I220 L272 V274	L210-I218 HydrophobicContact CB-CD1 3.88Å; F214-I218 HydrophobicContact CB-CB 3.84Å; F214-I218 HydrophobicContact CB-CD1 4.12Å; F214-I218 HydrophobicContact CB-CG2 4.1Å; F214-I218 WeakPolarHBondContact O-CB 3.38Å; F214-I218 WeakPolarHBondContact O-CG2 3.38Å; F214-I218 PolarHBondContact O-N 2.92Å; F214-I218 VanDerWaalsContact O-N 3.11Å; I218-I220 HydrophobicContact CD1-CD1 4.12Å; I218-I220 HydrophobicContact CD1-CG1 3.92Å; I218-I220 HydrophobicContact CG1-CG1 3.99Å; I218-L272 CarbonylContact C-O 3.55Å; I218-L272 WeakPolarHBondContact CA-O 3.38Å; I218-L272 HydrophobicContact CB-CB 4.38Å; I218-L272 HydrophobicContact CG1-CB 4.09Å; I218-V274 HydrophobicContact CD1-CG2 3.76Å; I218-V274 HydrophobicContact CG1-CG2 3.96Å
219	S	96.8	Very high	94.8	Very high	29 Å²	29	56.4 Å²	56.4	20%	0.203	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	103.6	169.3	-170.5	0	0	0	0	109.1	L272 V273 V274	S219-L272 PolarHBondContact N-O 2.92Å; S219-V273 WeakPolarHBondContact O-CA 3.32Å; S219-V274 PolarHBondContact O-N 2.93Å
220	I	96.4	Very high	94.2	Very high	59 Å²	59	53.5 Å²	53.5	30%	0.303	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.8	174.4	-49.5	-174.2	0	0	0	108.3	F207 L210 K211 I218 V274	F207-I220 WeakPolarHBondContact O-CD1 3.36Å; L210-I220 HydrophobicContact CB-CD1 4.49Å; K211-I220 HydrophobicContact CB-CD1 3.75Å; K211-I220 HydrophobicContact CG-CD1 4.31Å; I218-I220 HydrophobicContact CD1-CD1 4.12Å; I218-I220 HydrophobicContact CD1-CG1 3.92Å; I218-I220 HydrophobicContact CG1-CG1 3.99Å; I220-V274 WeakPolarHBondContact CA-O 3.37Å; I220-V274 HydrophobicContact CB-CB 4.48Å; I220-V274 HydrophobicContact CG1-CB 4.15Å; I220-V274 HydrophobicContact CG1-CG2 4.5Å; I220-V274 HydrophobicContact CG2-CB 4.35Å; I220-V274 HydrophobicContact CG2-CG1 4.42Å
221	T	96.3	Very high	93.7	Very high	27 Å²	27	57.4 Å²	57.4	17%	0.166	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.6	-179.2	-170.2	0	0	0	0	111.6	R262 L266 V274 L275 D276	T221-R262 PolarHBondContact OG1-NH1 3.02Å; T221-R262 PolarHBondContact OG1-NH2 3.06Å; T221-L266 HydrophobicContact CG2-CD1 3.99Å; T221-V274 PolarHBondContact N-O 2.95Å; T221-L275 HydrophobicContact CG2-CD2 3.58Å; T221-L275 WeakPolarHBondContact O-CA 3.35Å; T221-D276 PolarHBondContact O-N 2.88Å
222	R	95.5	Very high	92.9	Very high	141 Å²	141	54.9 Å²	54.9	53%	0.532	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142.4	174	-168.3	168.5	-179.3	-128.3	-1.8	110.5	R262 D276 D278	R222-R262 PolarHBondContact O-NH2 3.2Å; R222-D276 CarbonylContact C-O 3.42Å; R222-D276 WeakPolarHBondContact CA-O 3.48Å; R222-D276 HydrophobicContact CB-CB 4.3Å; R222-D276 WeakPolarHBondContact CD-OD2 3.38Å; R222-D276 HydrophobicContact CG-CB 4.29Å; R222-D276 WeakPolarHBondContact CG-O 3.47Å; R222-D276 WeakPolarHBondContact CG-OD2 3.41Å; R222-D276 IonicContact NE-OD2 2.68Å; R222-D278 IonicContact CZ-OD1 3.18Å; R222-D278 VanDerWaalsContact CZ-OD1 3.27Å; R222-D278 IonicContact CZ-OD2 2.73Å; R222-D278 IonicContact NE-OD1 3.27Å; R222-D278 PolarHBondContact NE-OD1 2.77Å; R222-D278 IonicContact NE-OD2 3.39Å; R222-D278 IonicContact NH2-OD1 3.51Å; R222-D278 PolarHBondContact NH2-OD1 3.48Å; R222-D278 IonicContact NH2-OD2 2.8Å; R222-D278 PolarHBondContact NH2-OD2 3.07Å
223	V	94.9	Very high	91.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	107.8	-177.9	-178.9	0	0	0	0	108.6	I227 L275 D276 A277 D278	V223-I227 HydrophobicContact CG1-CD1 4.4Å; V223-I227 HydrophobicContact CG1-CG1 4.4Å; V223-I227 HydrophobicContact CG1-CG2 3.75Å; V223-L275 HydrophobicContact CG2-CB 4.28Å; V223-L275 HydrophobicContact CG2-CD2 4.11Å; V223-D276 PolarHBondContact N-O 2.73Å; V223-A277 HydrophobicContact CB-CB 4.28Å; V223-D278 PolarHBondContact O-N 3.02Å
224	T	89.9	Confident	90.5	Very high	94 Å²	94	47.9 Å²	47.9	58%	0.577	26%	0.255	S	S	*	.			trans	-94.6	-18.8	-179.1	55.4	0	0	0	0	113.2
225	A	91.8	Very high	89.3	Confident	11 Å²	11	50 Å²	50	9%	0.091	27%	0.265	C	S	.	.	S	Bend	trans	-76.6	146.3	175.3	0	0	0	0	0	111.1	I227 V256 E259	A225-I227 VanDerWaalsContact C-N 3.33Å; A225-I227 PolarHBondContact O-N 2.92Å; A225-V256 HydrophobicContact CB-CG2 3.89Å; A225-E259 HydrophobicContact CB-CG 3.98Å
226	D	90.9	Very high	88.3	Confident	39 Å²	39	49.3 Å²	49.3	21%	0.209	27%	0.267	C	S	.	.			trans	-78.5	81.1	-178.4	-173.6	16.1	0	0	0	112.1	S228 L229 V256 T279	D226-S228 PolarHBondContact O-N 2.74Å; D226-S228 VanDerWaalsContact OD1-CB 3.3Å; D226-S228 WeakPolarHBondContact OD1-CB 3.18Å; D226-S228 PolarHBondContact OD1-N 3.46Å; D226-S228 PolarHBondContact OD1-OG 3.5Å; D226-S228 PolarHBondContact OD2-OG 3.15Å; D226-S228 VanDerWaalsContact OD2-OG 3.05Å; D226-L229 HydrophobicContact CB-CD1 4.19Å; D226-L229 HydrophobicContact CB-CG 4.19Å; D226-L229 WeakPolarHBondContact O-CB 3.41Å; D226-L229 WeakPolarHBondContact O-CG 3.42Å; D226-L229 PolarHBondContact O-N 2.89Å; D226-V256 WeakPolarHBondContact O-CG2 3.45Å; D226-T279 HydrophobicContact CB-CG2 4.12Å; D226-T279 PolarHBondContact OD1-OG1 2.96Å
227	I	92.8	Very high	87.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-59.2	-8.8	176.9	53.6	165	0	0	0	114.1	V223 A225 L229 A230 E259 I260 L275 A277 V280 L286 T289 L291	V223-I227 HydrophobicContact CG1-CD1 4.4Å; V223-I227 HydrophobicContact CG1-CG1 4.4Å; V223-I227 HydrophobicContact CG1-CG2 3.75Å; A225-I227 VanDerWaalsContact C-N 3.33Å; A225-I227 PolarHBondContact O-N 2.92Å; I227-L229 PolarHBondContact O-N 2.73Å; I227-A230 WeakPolarHBondContact O-CB 3.41Å; I227-A230 PolarHBondContact O-N 3.2Å; I227-E259 HydrophobicContact CG2-CB 4.38Å; I227-I260 HydrophobicContact CB-CD1 4.42Å; I227-I260 HydrophobicContact CG2-CD1 4.22Å; I227-L275 HydrophobicContact CD1-CD1 4.26Å; I227-A277 HydrophobicContact CD1-CB 4.26Å; I227-V280 HydrophobicContact CD1-CG2 4.26Å; I227-V280 HydrophobicContact CG1-CG2 4.14Å; I227-L286 HydrophobicContact CD1-CD2 4.02Å; I227-L286 HydrophobicContact CG1-CD2 4.02Å; I227-T289 WeakPolarHBondContact O-CG2 3.44Å; I227-L291 HydrophobicContact CD1-CD1 3.96Å
228	S	90.8	Very high	85.5	Confident	16 Å²	16	49.6 Å²	49.6	11%	0.112	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-68.8	-15.9	168.6	81.9	0	0	0	0	113.5	D226 A230 K231	D226-S228 PolarHBondContact O-N 2.74Å; D226-S228 VanDerWaalsContact OD1-CB 3.3Å; D226-S228 WeakPolarHBondContact OD1-CB 3.18Å; D226-S228 PolarHBondContact OD1-N 3.46Å; D226-S228 PolarHBondContact OD1-OG 3.5Å; D226-S228 PolarHBondContact OD2-OG 3.15Å; D226-S228 VanDerWaalsContact OD2-OG 3.05Å; S228-A230 VanDerWaalsContact C-N 3.32Å; S228-K231 WeakPolarHBondContact O-CE 3.37Å
229	L	88.9	Confident	83.9	Confident	56 Å²	56	52.4 Å²	52.4	29%	0.293	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-77.1	-15.8	173.1	-57.5	-179.6	0	0	0	113.1	D226 I227 K231	D226-L229 HydrophobicContact CB-CD1 4.19Å; D226-L229 HydrophobicContact CB-CG 4.19Å; D226-L229 WeakPolarHBondContact O-CB 3.41Å; D226-L229 WeakPolarHBondContact O-CG 3.42Å; D226-L229 PolarHBondContact O-N 2.89Å; I227-L229 PolarHBondContact O-N 2.73Å; L229-K231 PolarHBondContact O-N 3.22Å
230	A	85.7	Confident	82.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.305	C	S	.	.			trans	-70.8	44.9	-177.8	0	0	0	0	0	114.7	I227 S228 L235 V256 I260 T289	I227-A230 WeakPolarHBondContact O-CB 3.41Å; I227-A230 PolarHBondContact O-N 3.2Å; S228-A230 VanDerWaalsContact C-N 3.32Å; A230-L235 HydrophobicContact CB-CD1 3.87Å; A230-V256 HydrophobicContact CB-CG1 3.86Å; A230-I260 HydrophobicContact CB-CD1 3.55Å; A230-I260 HydrophobicContact CB-CG1 3.65Å; A230-T289 HydrophobicContact CB-CG2 4.03Å; A230-T289 VanDerWaalsContact O-CA 3.28Å; A230-T289 WeakPolarHBondContact O-CA 3.38Å; A230-T289 WeakPolarHBondContact O-CB 3.31Å
231	K	85.6	Confident	80.3	Confident	83 Å²	83	59.7 Å²	59.7	36%	0.361	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-69.3	134.7	-174.7	-67.3	157.9	-170.8	155.1	0	110.6	S228 L229 S233 V234 L235 K288	S228-K231 WeakPolarHBondContact O-CE 3.37Å; L229-K231 PolarHBondContact O-N 3.22Å; K231-S233 VanDerWaalsContact C-N 3.26Å; K231-S233 PolarHBondContact O-N 3.16Å; K231-S233 VanDerWaalsContact O-N 3.1Å; K231-V234 HydrophobicContact CB-CB 4.46Å; K231-V234 HydrophobicContact CB-CG2 4.07Å; K231-V234 WeakPolarHBondContact O-CB 3.35Å; K231-V234 PolarHBondContact O-N 2.85Å; K231-L235 PolarHBondContact O-N 3Å; K231-L235 VanDerWaalsContact O-N 3.09Å; K231-K288 WeakPolarHBondContact CA-O 3.26Å; K231-K288 HydrophobicContact CG-CB 4.21Å
232	R	80.3	Confident	78.3	Confident	70 Å²	70	60.7 Å²	60.7	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-52.1	-39.7	-172.6	-64	-167.2	-64.3	-76.9	0.5	113.6	D178 N236 G287 K288 T289 S290	D178-R232 VanDerWaalsContact OD1-CD 3.27Å; D178-R232 WeakPolarHBondContact OD1-CD 3.44Å; D178-R232 IonicContact OD1-CZ 3.66Å; D178-R232 IonicContact OD1-NE 3.88Å; D178-R232 PolarHBondContact OD1-NE 3.15Å; D178-R232 IonicContact OD2-CZ 3.59Å; D178-R232 IonicContact OD2-NE 2.73Å; D178-R232 PolarHBondContact OD2-NE 3.2Å; D178-R232 IonicContact OD2-NH2 2.67Å; R232-N236 WeakPolarHBondContact O-CB 3.5Å; R232-N236 PolarHBondContact O-N 3.11Å; R232-G287 PolarHBondContact NH1-O 3.31Å; R232-K288 PolarHBondContact N-O 3.37Å; R232-T289 WeakPolarHBondContact CD-O 3.4Å; R232-T289 PolarHBondContact NH1-O 2.93Å; R232-S290 WeakPolarHBondContact CD-OG 3.35Å
233	S	72.3	Confident	76.3	Confident	48 Å²	48	60.4 Å²	60.4	34%	0.336	33%	0.33	S	S	.	.	H	α-helix	trans	-70.6	-30.4	177.1	46.3	0	0	0	0	114.8	K231 N237	K231-S233 VanDerWaalsContact C-N 3.26Å; K231-S233 PolarHBondContact O-N 3.16Å; K231-S233 VanDerWaalsContact O-N 3.1Å; S233-N237 PolarHBondContact O-N 3.27Å
234	V	72	Confident	74.3	Confident	26 Å²	26	67.9 Å²	67.9	16%	0.158	37%	0.368	C	S	.	.	H	α-helix	trans	-74.1	-47.3	176.7	179.8	0	0	0	0	110.2	K231 N237 P238 L253	K231-V234 HydrophobicContact CB-CB 4.46Å; K231-V234 HydrophobicContact CB-CG2 4.07Å; K231-V234 WeakPolarHBondContact O-CB 3.35Å; K231-V234 PolarHBondContact O-N 2.85Å; V234-N237 CarbonylContact O-C 3.59Å; V234-N237 PolarHBondContact O-N 2.93Å; V234-P238 WeakPolarHBondContact O-CA 3.44Å; V234-P238 VanDerWaalsContact O-N 3.17Å; V234-L253 HydrophobicContact CG1-CD1 4.04Å; V234-L253 HydrophobicContact CG1-CD2 3.87Å
235	L	72.1	Confident	72.5	Confident	44 Å²	44	69.9 Å²	69.9	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-72.4	-35	-177.3	-56.2	-167.1	0	0	0	112.9	A230 K231 N237 P238 L253 I260	A230-L235 HydrophobicContact CB-CD1 3.87Å; K231-L235 PolarHBondContact O-N 3Å; K231-L235 VanDerWaalsContact O-N 3.09Å; L235-N237 VanDerWaalsContact C-N 3.29Å; L235-N237 PolarHBondContact O-N 3.12Å; L235-P238 WeakPolarHBondContact O-CD 3.32Å; L235-L253 HydrophobicContact CD2-CD1 4.17Å; L235-I260 HydrophobicContact CD1-CG1 4.42Å; L235-I260 HydrophobicContact CD1-CG2 4.45Å
236	N	74.2	Confident	70.5	Confident	140 Å²	140	80 Å²	80	75%	0.749	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-5.8	178.1	-165	29.4	0	0	0	113.5	R232	R232-N236 WeakPolarHBondContact O-CB 3.5Å; R232-N236 PolarHBondContact O-N 3.11Å
237	N	68.1	Low	68.7	Low	55 Å²	55	83.3 Å²	83.3	29%	0.294	43%	0.433	S	S	.	.			trans	-155.1	57.7	176.8	-132.3	-65.3	0	0	0	113.7	S233 V234 L235 S239 K240	S233-N237 PolarHBondContact O-N 3.27Å; V234-N237 CarbonylContact O-C 3.59Å; V234-N237 PolarHBondContact O-N 2.93Å; L235-N237 VanDerWaalsContact C-N 3.29Å; L235-N237 PolarHBondContact O-N 3.12Å; N237-S239 PolarHBondContact O-N 3.28Å; N237-S239 VanDerWaalsContact O-N 3.13Å; N237-K240 HydrophobicContact CB-CD 4.35Å; N237-K240 PolarHBondContact O-N 2.94Å; N237-K240 VanDerWaalsContact OD1-CD 3.25Å; N237-K240 WeakPolarHBondContact OD1-CD 3.43Å; N237-K240 VanDerWaalsContact OD1-CE 3.3Å; N237-K240 WeakPolarHBondContact OD1-CE 3.43Å; N237-K240 VanDerWaalsContact OD1-CG 3.3Å; N237-K240 WeakPolarHBondContact OD1-CG 3.42Å
238	P	63.2	Low	67	Low	76 Å²	76	90.1 Å²	90.1	49%	0.494	47%	0.47	S	S	.	.	H	α-helix	trans	-60.1	-32.6	-170.5	23.2	-34.3	0	0	0	112.8	V234 L235 K240 H241 A242	V234-P238 WeakPolarHBondContact O-CA 3.44Å; V234-P238 VanDerWaalsContact O-N 3.17Å; L235-P238 WeakPolarHBondContact O-CD 3.32Å; P238-K240 VanDerWaalsContact C-N 3.3Å; P238-K240 PolarHBondContact O-N 1.82Å; P238-H241 PolarHBondContact O-N 3.41Å; P238-A242 WeakPolarHBondContact O-CB 3.45Å; P238-A242 PolarHBondContact O-N 3.43Å
239	S	63.3	Low	65.5	Low	87 Å²	87	92 Å²	92	61%	0.608	48%	0.481	S	S	*	.	H	α-helix	trans	-62.8	-28.9	178.4	56.4	0	0	0	0	114.4	N237	N237-S239 PolarHBondContact O-N 3.28Å; N237-S239 VanDerWaalsContact O-N 3.13Å
240	K	60.7	Low	64.1	Low	144 Å²	144	97.6 Å²	97.6	63%	0.626	50%	0.498	S	S	*	.	H	α-helix	trans	-79.8	-27.8	176.8	-71	178.8	-171.1	166.5	0	113	N237 P238	N237-K240 HydrophobicContact CB-CD 4.35Å; N237-K240 PolarHBondContact O-N 2.94Å; N237-K240 VanDerWaalsContact OD1-CD 3.25Å; N237-K240 WeakPolarHBondContact OD1-CD 3.43Å; N237-K240 VanDerWaalsContact OD1-CE 3.3Å; N237-K240 WeakPolarHBondContact OD1-CE 3.43Å; N237-K240 VanDerWaalsContact OD1-CG 3.3Å; N237-K240 WeakPolarHBondContact OD1-CG 3.42Å; P238-K240 VanDerWaalsContact C-N 3.3Å; P238-K240 PolarHBondContact O-N 1.82Å
241	H	57.8	Low	62.8	Low	97 Å²	97	100.2 Å²	100.2	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-94.6	-20.8	-178.5	-69.1	-74.4	0	0	0	113.2	P238 I243	P238-H241 PolarHBondContact O-N 3.41Å; H241-I243 PolarHBondContact O-N 2.76Å
242	A	53.8	Low	62.5	Low	47 Å²	47	98.7 Å²	98.7	39%	0.388	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	8.2	-177.2	0	0	0	0	0	117	P238	P238-A242 WeakPolarHBondContact O-CB 3.45Å; P238-A242 PolarHBondContact O-N 3.43Å
243	I	53.8	Low	62.6	Low	135 Å²	135	97.7 Å²	97.7	69%	0.692	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-25.5	-165.8	-62.3	177.9	0	0	0	113.8	H241	H241-I243 PolarHBondContact O-N 2.76Å
244	I	52.4	Low	63.3	Low	157 Å²	157	98.4 Å²	98.4	81%	0.805	52%	0.521	S	S	*	.	S	Bend	trans	-120.5	-19.6	-167.2	-64.5	-179	0	0	0	114.2
245	E	51.9	Low	64.1	Low	137 Å²	137	102.4 Å²	102.4	64%	0.64	54%	0.538	S	S	*	.	S	Bend	trans	-80.9	143	-175.4	-56.3	-160	166	0	0	113.8	T249	E245-T249 VanDerWaalsContact CB-OG1 3.26Å; E245-T249 WeakPolarHBondContact CB-OG1 3.28Å; E245-T249 WeakPolarHBondContact OE2-CB 3.36Å; E245-T249 PolarHBondContact OE2-OG1 3.44Å
246	R	50	Low	65	Low	223 Å²	223	100.3 Å²	100.3	84%	0.842	53%	0.527	S	S	*	.			trans	-68.5	144.4	-178.7	-59	174.6	-173.2	149.6	1.7	110	N248 T249	R246-N248 PolarHBondContact O-N 2.83Å; R246-T249 PolarHBondContact O-N 3.2Å; R246-T249 PolarHBondContact O-OG1 3.45Å
247	S	54	Low	65.8	Low	109 Å²	109	96.5 Å²	96.5	76%	0.762	50%	0.504	S	S	*	.	H	α-helix	trans	-47.2	-28.6	-168.1	-44.9	0	0	0	0	116.6	T249 R250	S247-T249 VanDerWaalsContact C-N 3.32Å; S247-T249 PolarHBondContact O-N 3.25Å; S247-R250 PolarHBondContact O-N 2.78Å
248	N	55.6	Low	67	Low	143 Å²	143	97.2 Å²	97.2	77%	0.765	51%	0.513	S	S	*	.	H	α-helix	trans	-74	-14.9	-178.8	-144.8	57.7	0	0	0	114.9	R246 S251	R246-N248 PolarHBondContact O-N 2.83Å; N248-S251 PolarHBondContact O-OG 2.77Å
249	T	59.2	Low	68.5	Low	55 Å²	55	95.2 Å²	95.2	34%	0.337	50%	0.498	S	S	.	.	H	α-helix	trans	-84.2	-24.1	170.9	56.5	0	0	0	0	112	E245 R246 S247 N252 L253	E245-T249 VanDerWaalsContact CB-OG1 3.26Å; E245-T249 WeakPolarHBondContact CB-OG1 3.28Å; E245-T249 WeakPolarHBondContact OE2-CB 3.36Å; E245-T249 PolarHBondContact OE2-OG1 3.44Å; R246-T249 PolarHBondContact O-N 3.2Å; R246-T249 PolarHBondContact O-OG1 3.45Å; S247-T249 VanDerWaalsContact C-N 3.32Å; S247-T249 PolarHBondContact O-N 3.25Å; T249-N252 PolarHBondContact O-N 2.65Å; T249-L253 PolarHBondContact O-N 3.2Å
250	R	60.2	Low	70	Confident	173 Å²	173	91.6 Å²	91.6	65%	0.653	47%	0.471	S	S	*	.	H	α-helix	trans	-78.4	-28.3	-171.5	-167.6	173.8	178.1	178.1	-0.7	113	S247 A254	S247-R250 PolarHBondContact O-N 2.78Å; R250-A254 PolarHBondContact O-N 2.96Å
251	S	59.3	Low	71.6	Confident	55 Å²	55	90.1 Å²	90.1	39%	0.385	47%	0.466	S	S	.	.	H	α-helix	trans	-68.5	-51.1	166	45.7	0	0	0	0	110.9	N248 L253 A254 E255	N248-S251 PolarHBondContact O-OG 2.77Å; S251-L253 VanDerWaalsContact C-N 3.3Å; S251-L253 PolarHBondContact O-N 2.72Å; S251-A254 WeakPolarHBondContact O-CA 3.45Å; S251-A254 WeakPolarHBondContact O-CB 3.28Å; S251-A254 PolarHBondContact O-N 2.89Å; S251-E255 PolarHBondContact O-N 3.28Å
252	N	77.8	Confident	73.4	Confident	52 Å²	52	89 Å²	89	28%	0.278	46%	0.458	S	S	.	.	H	α-helix	trans	-54.5	-42.6	176.9	-173.7	-13.2	0	0	0	111.8	T249 A254 E255 V256	T249-N252 PolarHBondContact O-N 2.65Å; N252-A254 VanDerWaalsContact C-N 3.31Å; N252-A254 PolarHBondContact O-N 2.68Å; N252-E255 PolarHBondContact O-N 3.47Å; N252-V256 WeakPolarHBondContact O-CB 3.35Å; N252-V256 VanDerWaalsContact O-CG2 3.3Å; N252-V256 WeakPolarHBondContact O-CG2 3.45Å; N252-V256 PolarHBondContact O-N 2.86Å
253	L	83.9	Confident	75.4	Confident	49 Å²	49	86.8 Å²	86.8	26%	0.257	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-30.8	175.5	-174.5	61	0	0	0	113.6	V234 L235 T249 S251 Q257	V234-L253 HydrophobicContact CG1-CD1 4.04Å; V234-L253 HydrophobicContact CG1-CD2 3.87Å; L235-L253 HydrophobicContact CD2-CD1 4.17Å; T249-L253 PolarHBondContact O-N 3.2Å; S251-L253 VanDerWaalsContact C-N 3.3Å; S251-L253 PolarHBondContact O-N 2.72Å; L253-Q257 WeakPolarHBondContact O-CB 3.01Å; L253-Q257 PolarHBondContact O-N 3.11Å
254	A	85.6	Confident	77.5	Confident	63 Å²	63	83.2 Å²	83.2	52%	0.521	42%	0.42	S	S	.	.	H	α-helix	trans	-75.6	-38.5	174.6	0	0	0	0	0	111.9	R250 S251 N252 Q257 S258	R250-A254 PolarHBondContact O-N 2.96Å; S251-A254 WeakPolarHBondContact O-CA 3.45Å; S251-A254 WeakPolarHBondContact O-CB 3.28Å; S251-A254 PolarHBondContact O-N 2.89Å; N252-A254 VanDerWaalsContact C-N 3.31Å; N252-A254 PolarHBondContact O-N 2.68Å; A254-Q257 PolarHBondContact O-N 2.88Å; A254-S258 WeakPolarHBondContact O-CB 3.28Å; A254-S258 PolarHBondContact O-N 3.13Å
255	E	89.7	Confident	79.6	Confident	110 Å²	110	80.5 Å²	80.5	51%	0.514	40%	0.404	S	S	.	.	H	α-helix	trans	-61.4	-47.8	171.4	-68.8	155.8	-148.3	0	0	110.6	S251 N252 Q257 S258 E259	S251-E255 PolarHBondContact O-N 3.28Å; N252-E255 PolarHBondContact O-N 3.47Å; E255-Q257 PolarHBondContact O-N 3.18Å; E255-S258 PolarHBondContact O-N 3.18Å; E255-E259 WeakPolarHBondContact O-CG 3.44Å; E255-E259 PolarHBondContact O-N 3.11Å
256	V	91.5	Very high	81.7	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-58.8	-44.8	173.2	167.5	0	0	0	0	111.5	A225 D226 A230 N252 S258 E259 I260	A225-V256 HydrophobicContact CB-CG2 3.89Å; D226-V256 WeakPolarHBondContact O-CG2 3.45Å; A230-V256 HydrophobicContact CB-CG1 3.86Å; N252-V256 WeakPolarHBondContact O-CB 3.35Å; N252-V256 VanDerWaalsContact O-CG2 3.3Å; N252-V256 WeakPolarHBondContact O-CG2 3.45Å; N252-V256 PolarHBondContact O-N 2.86Å; V256-S258 VanDerWaalsContact C-N 3.35Å; V256-S258 PolarHBondContact O-N 2.94Å; V256-E259 PolarHBondContact O-N 2.82Å; V256-I260 HydrophobicContact CG1-CG1 4.46Å; V256-I260 VanDerWaalsContact O-CG1 3.29Å; V256-I260 WeakPolarHBondContact O-CG1 3.27Å; V256-I260 PolarHBondContact O-N 2.99Å
257	Q	90.7	Very high	83.9	Confident	59 Å²	59	65.5 Å²	65.5	28%	0.276	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-43.5	176.8	178.4	61.4	21.6	0	0	111.7	L253 A254 E255 E259 I260 E261	L253-Q257 WeakPolarHBondContact O-CB 3.01Å; L253-Q257 PolarHBondContact O-N 3.11Å; A254-Q257 PolarHBondContact O-N 2.88Å; E255-Q257 PolarHBondContact O-N 3.18Å; Q257-E259 VanDerWaalsContact C-N 3.32Å; Q257-E259 PolarHBondContact O-N 3.47Å; Q257-I260 PolarHBondContact O-N 3.3Å; Q257-E261 PolarHBondContact NE2-OE1 2.88Å; Q257-E261 WeakPolarHBondContact O-CG 3.34Å; Q257-E261 PolarHBondContact O-N 3.1Å
258	S	92.6	Very high	85.8	Confident	70 Å²	70	66.9 Å²	66.9	49%	0.49	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-38.1	176.8	-169.3	0	0	0	0	112.2	A254 E255 V256 R262	A254-S258 WeakPolarHBondContact O-CB 3.28Å; A254-S258 PolarHBondContact O-N 3.13Å; E255-S258 PolarHBondContact O-N 3.18Å; V256-S258 VanDerWaalsContact C-N 3.35Å; V256-S258 PolarHBondContact O-N 2.94Å; S258-R262 VanDerWaalsContact O-CB 3.3Å; S258-R262 WeakPolarHBondContact O-CB 3.44Å; S258-R262 PolarHBondContact O-N 3.43Å
259	E	94.6	Very high	87.6	Confident	35 Å²	35	63.3 Å²	63.3	16%	0.164	32%	0.316	C	S	.	.	H	α-helix	trans	-68	-39.1	174.6	-73.6	-67.1	90.6	0	0	112.1	A225 I227 E255 V256 Q257 R262 I263	A225-E259 HydrophobicContact CB-CG 3.98Å; I227-E259 HydrophobicContact CG2-CB 4.38Å; E255-E259 WeakPolarHBondContact O-CG 3.44Å; E255-E259 PolarHBondContact O-N 3.11Å; V256-E259 PolarHBondContact O-N 2.82Å; Q257-E259 VanDerWaalsContact C-N 3.32Å; Q257-E259 PolarHBondContact O-N 3.47Å; E259-R262 PolarHBondContact O-N 2.77Å; E259-R262 IonicContact OE1-CZ 3.5Å; E259-R262 IonicContact OE1-NE 3.76Å; E259-R262 PolarHBondContact OE1-NE 2.9Å; E259-R262 IonicContact OE1-NH2 3.94Å; E259-R262 PolarHBondContact OE1-NH2 2.89Å; E259-R262 IonicContact OE2-CZ 3.68Å; E259-R262 IonicContact OE2-NE 2.74Å; E259-R262 IonicContact OE2-NH2 2.75Å; E259-R262 PolarHBondContact OE2-NH2 3.04Å; E259-I263 WeakPolarHBondContact O-CD1 3.3Å; E259-I263 WeakPolarHBondContact O-CG1 3.45Å; E259-I263 PolarHBondContact O-N 3Å
260	I	94.3	Very high	89.4	Confident	10 Å²	10	62.2 Å²	62.2	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-48.4	173.5	-64.3	-66	0	0	0	110.8	I227 A230 L235 V256 Q257 R262 I263 F264 L291	I227-I260 HydrophobicContact CB-CD1 4.42Å; I227-I260 HydrophobicContact CG2-CD1 4.22Å; A230-I260 HydrophobicContact CB-CD1 3.55Å; A230-I260 HydrophobicContact CB-CG1 3.65Å; L235-I260 HydrophobicContact CD1-CG1 4.42Å; L235-I260 HydrophobicContact CD1-CG2 4.45Å; V256-I260 HydrophobicContact CG1-CG1 4.46Å; V256-I260 VanDerWaalsContact O-CG1 3.29Å; V256-I260 WeakPolarHBondContact O-CG1 3.27Å; V256-I260 PolarHBondContact O-N 2.99Å; Q257-I260 PolarHBondContact O-N 3.3Å; I260-R262 VanDerWaalsContact C-N 3.3Å; I260-R262 PolarHBondContact O-N 2.71Å; I260-I263 PolarHBondContact O-N 2.74Å; I260-F264 HydrophobicContact CG2-CD2 3.91Å; I260-F264 HydrophobicContact CG2-CE2 3.95Å; I260-F264 WeakPolarHBondContact O-CD2 3.48Å; I260-F264 PolarHBondContact O-N 3.4Å; I260-L291 HydrophobicContact CD1-CD1 3.69Å; I260-L291 HydrophobicContact CD1-CD2 3.65Å; I260-L291 HydrophobicContact CD1-CG 3.66Å; I260-L291 HydrophobicContact CG2-CD2 4.5Å
261	E	94.6	Very high	91.1	Very high	113 Å²	113	57.4 Å²	57.4	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-59.3	-40.9	177.2	-73.1	173.7	-166.9	0	0	111.7	Q257 F264 E265	Q257-E261 PolarHBondContact NE2-OE1 2.88Å; Q257-E261 WeakPolarHBondContact O-CG 3.34Å; Q257-E261 PolarHBondContact O-N 3.1Å; E261-F264 PolarHBondContact O-N 2.77Å; E261-E265 PolarHBondContact O-N 2.89Å
262	R	96.2	Very high	92.9	Very high	74 Å²	74	54.9 Å²	54.9	28%	0.279	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-40.9	174.6	-170.8	178.5	68.2	81.5	-10.3	112.9	T221 R222 S258 E259 I260 E265 L266	T221-R262 PolarHBondContact OG1-NH1 3.02Å; T221-R262 PolarHBondContact OG1-NH2 3.06Å; R222-R262 PolarHBondContact O-NH2 3.2Å; S258-R262 VanDerWaalsContact O-CB 3.3Å; S258-R262 WeakPolarHBondContact O-CB 3.44Å; S258-R262 PolarHBondContact O-N 3.43Å; E259-R262 PolarHBondContact O-N 2.77Å; E259-R262 IonicContact OE1-CZ 3.5Å; E259-R262 IonicContact OE1-NE 3.76Å; E259-R262 PolarHBondContact OE1-NE 2.9Å; E259-R262 IonicContact OE1-NH2 3.94Å; E259-R262 PolarHBondContact OE1-NH2 2.89Å; E259-R262 IonicContact OE2-CZ 3.68Å; E259-R262 IonicContact OE2-NE 2.74Å; E259-R262 IonicContact OE2-NH2 2.75Å; E259-R262 PolarHBondContact OE2-NH2 3.04Å; I260-R262 VanDerWaalsContact C-N 3.3Å; I260-R262 PolarHBondContact O-N 2.71Å; R262-E265 PolarHBondContact O-N 2.9Å; R262-L266 WeakPolarHBondContact O-CG 3.39Å; R262-L266 PolarHBondContact O-N 3.05Å
263	I	96.8	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-40.4	175.9	-67	159.4	0	0	0	110.9	P181 P185 E259 I260 A267 L275 L291	P181-I263 HydrophobicContact CG-CG2 4.47Å; P185-I263 HydrophobicContact CB-CG2 4.17Å; P185-I263 HydrophobicContact CG-CG2 4.1Å; E259-I263 WeakPolarHBondContact O-CD1 3.3Å; E259-I263 WeakPolarHBondContact O-CG1 3.45Å; E259-I263 PolarHBondContact O-N 3Å; I260-I263 PolarHBondContact O-N 2.74Å; I263-A267 WeakPolarHBondContact O-CB 3.45Å; I263-A267 PolarHBondContact O-N 3.44Å; I263-A267 VanDerWaalsContact O-N 3.09Å; I263-L275 HydrophobicContact CD1-CD1 3.72Å; I263-L275 HydrophobicContact CD1-CD2 4.15Å; I263-L275 HydrophobicContact CG1-CD1 4.27Å; I263-L275 HydrophobicContact CG1-CD2 3.9Å; I263-L291 HydrophobicContact CB-CD2 4.27Å; I263-L291 HydrophobicContact CD1-CD1 4.31Å; I263-L291 HydrophobicContact CD1-CD2 4.26Å; I263-L291 HydrophobicContact CG2-CD2 3.79Å
264	F	96.7	Very high	94.6	Very high	61 Å²	61	50.1 Å²	50.1	27%	0.268	25%	0.25	S	S	.	.	H	α-helix	trans	-62.8	-41.9	175.1	-94.1	-98.7	0	0	0	112.3	V179 V180 P181 I260 E261 A267 R268 L291	V179-F264 HydrophobicContact CG1-CE1 4.17Å; V180-F264 WeakPolarHBondContact O-CE1 3.2Å; P181-F264 HydrophobicContact CG-CD1 4.33Å; P181-F264 HydrophobicContact CG-CD2 3.87Å; P181-F264 HydrophobicContact CG-CE1 4.22Å; P181-F264 HydrophobicContact CG-CE2 3.74Å; P181-F264 HydrophobicContact CG-CG 4.18Å; P181-F264 HydrophobicContact CG-CZ 3.93Å; I260-F264 HydrophobicContact CG2-CD2 3.91Å; I260-F264 HydrophobicContact CG2-CE2 3.95Å; I260-F264 WeakPolarHBondContact O-CD2 3.48Å; I260-F264 PolarHBondContact O-N 3.4Å; E261-F264 PolarHBondContact O-N 2.77Å; F264-A267 PolarHBondContact O-N 2.93Å; F264-R268 PolarHBondContact O-N 2.84Å; F264-L291 HydrophobicContact CE2-CD2 4.44Å
265	E	96	Very high	95.2	Very high	100 Å²	100	47.1 Å²	47.1	47%	0.467	23%	0.225	S	C	.	.	H	α-helix	trans	-69.1	-40.4	178.2	177.8	55.3	-160.7	0	0	112.5	E261 R262 A267 R268	E261-E265 PolarHBondContact O-N 2.89Å; R262-E265 PolarHBondContact O-N 2.9Å; E265-A267 VanDerWaalsContact C-N 3.29Å; E265-A267 PolarHBondContact O-N 2.88Å; E265-R268 VanDerWaalsContact CD-NE 3.26Å; E265-R268 VanDerWaalsContact O-CB 3.22Å; E265-R268 WeakPolarHBondContact O-CB 3.23Å; E265-R268 PolarHBondContact O-N 3.46Å; E265-R268 VanDerWaalsContact O-N 3.16Å; E265-R268 IonicContact OE1-CZ 2.92Å; E265-R268 VanDerWaalsContact OE1-CZ 3.25Å; E265-R268 IonicContact OE1-NE 3.81Å; E265-R268 PolarHBondContact OE1-NE 2.89Å; E265-R268 IonicContact OE1-NH2 3.93Å; E265-R268 PolarHBondContact OE1-NH2 3.34Å; E265-R268 WeakPolarHBondContact OE2-CD 3.3Å; E265-R268 IonicContact OE2-CZ 3.46Å; E265-R268 IonicContact OE2-NE 2.7Å; E265-R268 PolarHBondContact OE2-NE 2.89Å; E265-R268 IonicContact OE2-NH2 3.52Å
266	L	96.1	Very high	95.5	Very high	45 Å²	45	44 Å²	44	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-41.2	172.4	-73.1	175.5	0	0	0	111.9	T221 R262 R268 T269 V273	T221-L266 HydrophobicContact CG2-CD1 3.99Å; R262-L266 WeakPolarHBondContact O-CG 3.39Å; R262-L266 PolarHBondContact O-N 3.05Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 3.09Å; L266-T269 PolarHBondContact O-OG1 2.82Å; L266-V273 HydrophobicContact CB-CG1 4.38Å; L266-V273 HydrophobicContact CB-CG2 3.89Å; L266-V273 HydrophobicContact CD1-CG1 4.42Å
267	A	96.8	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.8	-16.7	179.4	0	0	0	0	0	113.9	P181 M183 I263 F264 E265 T269 L270 V273	P181-A267 HydrophobicContact CB-CB 3.59Å; M183-A267 HydrophobicContact CB-CB 4.26Å; I263-A267 WeakPolarHBondContact O-CB 3.45Å; I263-A267 PolarHBondContact O-N 3.44Å; I263-A267 VanDerWaalsContact O-N 3.09Å; F264-A267 PolarHBondContact O-N 2.93Å; E265-A267 VanDerWaalsContact C-N 3.29Å; E265-A267 PolarHBondContact O-N 2.88Å; A267-T269 VanDerWaalsContact C-N 3.27Å; A267-T269 PolarHBondContact O-N 2.91Å; A267-L270 PolarHBondContact O-N 3.1Å; A267-V273 HydrophobicContact CB-CG2 4.13Å
268	R	94.6	Very high	95.6	Very high	137 Å²	137	44 Å²	44	52%	0.517	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27	-177.6	-168.9	-172.7	54.5	62.1	3.8	113.1	F264 E265 L266 L270	F264-R268 PolarHBondContact O-N 2.84Å; E265-R268 VanDerWaalsContact CD-NE 3.26Å; E265-R268 VanDerWaalsContact O-CB 3.22Å; E265-R268 WeakPolarHBondContact O-CB 3.23Å; E265-R268 PolarHBondContact O-N 3.46Å; E265-R268 VanDerWaalsContact O-N 3.16Å; E265-R268 IonicContact OE1-CZ 2.92Å; E265-R268 VanDerWaalsContact OE1-CZ 3.25Å; E265-R268 IonicContact OE1-NE 3.81Å; E265-R268 PolarHBondContact OE1-NE 2.89Å; E265-R268 IonicContact OE1-NH2 3.93Å; E265-R268 PolarHBondContact OE1-NH2 3.34Å; E265-R268 WeakPolarHBondContact OE2-CD 3.3Å; E265-R268 IonicContact OE2-CZ 3.46Å; E265-R268 IonicContact OE2-NE 2.7Å; E265-R268 PolarHBondContact OE2-NE 2.89Å; E265-R268 IonicContact OE2-NH2 3.52Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 3.09Å; R268-L270 PolarHBondContact O-N 3.42Å
269	T	93.7	Very high	95.6	Very high	69 Å²	69	42.6 Å²	42.6	42%	0.423	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4	179.6	61.5	0	0	0	0	113.8	L266 A267 Q271	L266-T269 PolarHBondContact O-OG1 2.82Å; A267-T269 VanDerWaalsContact C-N 3.27Å; A267-T269 PolarHBondContact O-N 2.91Å; T269-Q271 PolarHBondContact O-N 3.02Å; T269-Q271 PolarHBondContact OG1-N 2.91Å; T269-Q271 PolarHBondContact OG1-OE1 2.97Å
270	L	95.7	Very high	95.6	Very high	31 Å²	31	41 Å²	41	16%	0.162	20%	0.195	C	C	.	.			trans	62.7	14.6	-168.1	-56	-178.4	0	0	0	115.7	V55 M183 A267 R268 W363 H367	V55-L270 HydrophobicContact CG2-CD1 4.06Å; V55-L270 HydrophobicContact CG2-CD2 4.39Å; M183-L270 WeakPolarHBondContact CE-O 3.1Å; M183-L270 VanDerWaalsContact CG-CA 3.47Å; M183-L270 HydrophobicContact CG-CB 4.25Å; M183-L270 HydrophobicContact CG-CD2 4.02Å; M183-L270 HydrophobicContact SD-CB 4.26Å; M183-L270 HydrophobicContact SD-CD2 4.05Å; A267-L270 PolarHBondContact O-N 3.1Å; R268-L270 PolarHBondContact O-N 3.42Å; L270-W363 WeakPolarHBondContact O-CZ3 3.24Å; L270-H367 PolarHBondContact O-CE1 2.59Å; L270-H367 PolarHBondContact O-NE2 3.5Å
271	Q	96.2	Very high	95.8	Very high	72 Å²	72	42 Å²	42	34%	0.336	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-72.1	153.2	168.5	-71.8	174.6	-41.4	0	0	112.1	M183 G216 R217 T269 V273	M183-Q271 WeakPolarHBondContact CB-O 3.49Å; M183-Q271 WeakPolarHBondContact CG-O 3.37Å; G216-Q271 PolarHBondContact O-NE2 3.31Å; R217-Q271 WeakPolarHBondContact O-CB 3.2Å; T269-Q271 PolarHBondContact O-N 3.02Å; T269-Q271 PolarHBondContact OG1-N 2.91Å; T269-Q271 PolarHBondContact OG1-OE1 2.97Å; Q271-V273 PolarHBondContact O-N 3.08Å
272	L	98	Very high	95.9	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	122.1	171.8	-67.8	173.1	0	0	0	109.3	M183 F214 R217 I218 S219 Y362 W363	M183-L272 HydrophobicContact CE-CD2 3.94Å; F214-L272 HydrophobicContact CB-CD1 4.22Å; F214-L272 HydrophobicContact CD1-CD1 3.58Å; F214-L272 HydrophobicContact CE1-CD1 4.04Å; F214-L272 HydrophobicContact CG-CD1 3.85Å; R217-L272 PolarHBondContact O-N 3.3Å; I218-L272 CarbonylContact C-O 3.55Å; I218-L272 WeakPolarHBondContact CA-O 3.38Å; I218-L272 HydrophobicContact CB-CB 4.38Å; I218-L272 HydrophobicContact CG1-CB 4.09Å; S219-L272 PolarHBondContact N-O 2.92Å; L272-Y362 HydrophobicContact CD2-CD1 4.14Å; L272-W363 HydrophobicContact CD1-CE3 4.36Å; L272-W363 HydrophobicContact CD2-CE3 4.19Å; L272-W363 HydrophobicContact CG-CE3 3.84Å; L272-W363 HydrophobicContact CG-CZ3 4.08Å
273	V	98.3	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.4	175.9	-177	0	0	0	0	108.9	P185 V186 S219 L266 A267 Q271 L275	P185-V273 CarbonylContact C-O 3.54Å; P185-V273 WeakPolarHBondContact CA-O 3.4Å; P185-V273 HydrophobicContact CB-CB 4.44Å; P185-V273 HydrophobicContact CB-CG1 4.28Å; V186-V273 PolarHBondContact N-O 3.38Å; S219-V273 WeakPolarHBondContact O-CA 3.32Å; L266-V273 HydrophobicContact CB-CG1 4.38Å; L266-V273 HydrophobicContact CB-CG2 3.89Å; L266-V273 HydrophobicContact CD1-CG1 4.42Å; A267-V273 HydrophobicContact CB-CG2 4.13Å; Q271-V273 PolarHBondContact O-N 3.08Å; V273-L275 HydrophobicContact CG1-CD2 3.86Å
274	V	98.3	Very high	95.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.2	178.6	-176	0	0	0	0	109.8	V186 F207 I218 S219 I220 T221	V186-V274 HydrophobicContact CB-CB 4.46Å; V186-V274 HydrophobicContact CB-CG1 4.31Å; V186-V274 HydrophobicContact CB-CG2 4.04Å; V186-V274 HydrophobicContact CG2-CG2 4.18Å; F207-V274 HydrophobicContact CD1-CG1 3.8Å; F207-V274 HydrophobicContact CE1-CG1 3.54Å; I218-V274 HydrophobicContact CD1-CG2 3.76Å; I218-V274 HydrophobicContact CG1-CG2 3.96Å; S219-V274 PolarHBondContact O-N 2.93Å; I220-V274 WeakPolarHBondContact CA-O 3.37Å; I220-V274 HydrophobicContact CB-CB 4.48Å; I220-V274 HydrophobicContact CG1-CB 4.15Å; I220-V274 HydrophobicContact CG1-CG2 4.5Å; I220-V274 HydrophobicContact CG2-CB 4.35Å; I220-V274 HydrophobicContact CG2-CG1 4.42Å; T221-V274 PolarHBondContact N-O 2.95Å
275	L	97.8	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.5	-175.7	-48.9	-178.5	0	0	0	110.9	P185 V186 V187 T221 V223 I227 I263 V273 A277	P185-L275 HydrophobicContact CB-CD1 3.7Å; P185-L275 HydrophobicContact CB-CD2 4.4Å; P185-L275 HydrophobicContact CB-CG 3.84Å; P185-L275 HydrophobicContact CG-CD1 4.23Å; V186-L275 PolarHBondContact O-N 3.08Å; V187-L275 HydrophobicContact CG2-CB 4.28Å; V187-L275 HydrophobicContact CG2-CD1 4.2Å; V187-L275 HydrophobicContact CG2-CG 4.5Å; T221-L275 HydrophobicContact CG2-CD2 3.58Å; T221-L275 WeakPolarHBondContact O-CA 3.35Å; V223-L275 HydrophobicContact CG2-CB 4.28Å; V223-L275 HydrophobicContact CG2-CD2 4.11Å; I227-L275 HydrophobicContact CD1-CD1 4.26Å; I263-L275 HydrophobicContact CD1-CD1 3.72Å; I263-L275 HydrophobicContact CD1-CD2 4.15Å; I263-L275 HydrophobicContact CG1-CD1 4.27Å; I263-L275 HydrophobicContact CG1-CD2 3.9Å; V273-L275 HydrophobicContact CG1-CD2 3.86Å; L275-A277 HydrophobicContact CB-CB 4.48Å; L275-A277 PolarHBondContact O-N 2.86Å
276	D	96.6	Very high	95.7	Very high	44 Å²	44	34.3 Å²	34.3	24%	0.235	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	79.3	161.3	179	32.5	0	0	0	108.4	F207 T221 R222 V223	F207-D276 HydrophobicContact CE2-CB 3.92Å; F207-D276 WeakPolarHBondContact CE2-OD1 3.37Å; F207-D276 HydrophobicContact CZ-CB 3.99Å; T221-D276 PolarHBondContact O-N 2.88Å; R222-D276 CarbonylContact C-O 3.42Å; R222-D276 WeakPolarHBondContact CA-O 3.48Å; R222-D276 HydrophobicContact CB-CB 4.3Å; R222-D276 WeakPolarHBondContact CD-OD2 3.38Å; R222-D276 HydrophobicContact CG-CB 4.29Å; R222-D276 WeakPolarHBondContact CG-O 3.47Å; R222-D276 WeakPolarHBondContact CG-OD2 3.41Å; R222-D276 IonicContact NE-OD2 2.68Å; V223-D276 PolarHBondContact N-O 2.73Å
277	A	94.5	Very high	95.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114	-177.4	0	0	0	0	0	110.8	K194 V223 I227 L275 T279 V280	K194-A277 WeakPolarHBondContact CD-O 3.44Å; K194-A277 WeakPolarHBondContact CE-O 3.4Å; K194-A277 PolarHBondContact NZ-O 2.88Å; V223-A277 HydrophobicContact CB-CB 4.28Å; I227-A277 HydrophobicContact CD1-CB 4.26Å; L275-A277 HydrophobicContact CB-CB 4.48Å; L275-A277 PolarHBondContact O-N 2.86Å; A277-T279 PolarHBondContact O-N 3.39Å; A277-V280 HydrophobicContact CB-CB 4.26Å; A277-V280 HydrophobicContact CB-CG2 3.88Å
278	D	90.4	Very high	95.1	Very high	57 Å²	57	41.4 Å²	41.4	31%	0.305	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.5	-175.2	-69.3	-15.5	0	0	0	112.6	R222 V223	R222-D278 IonicContact CZ-OD1 3.18Å; R222-D278 VanDerWaalsContact CZ-OD1 3.27Å; R222-D278 IonicContact CZ-OD2 2.73Å; R222-D278 IonicContact NE-OD1 3.27Å; R222-D278 PolarHBondContact NE-OD1 2.77Å; R222-D278 IonicContact NE-OD2 3.39Å; R222-D278 IonicContact NH2-OD1 3.51Å; R222-D278 PolarHBondContact NH2-OD1 3.48Å; R222-D278 IonicContact NH2-OD2 2.8Å; R222-D278 PolarHBondContact NH2-OD2 3.07Å; V223-D278 PolarHBondContact O-N 3.02Å
279	T	91.4	Very high	95	Very high	42 Å²	42	34.9 Å²	34.9	26%	0.258	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.9	-170	72.1	0	0	0	0	114.4	D226 A277 N281 Q285	D226-T279 HydrophobicContact CB-CG2 4.12Å; D226-T279 PolarHBondContact OD1-OG1 2.96Å; A277-T279 PolarHBondContact O-N 3.39Å; T279-N281 PolarHBondContact O-ND2 3.42Å; T279-Q285 PolarHBondContact O-NE2 2.72Å
280	V	95.8	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.			trans	-90.7	114.5	-170.5	-175.6	0	0	0	0	110.6	V187 V189 K194 I227 A277 L286	V187-V280 HydrophobicContact CG1-CB 4.3Å; V187-V280 HydrophobicContact CG1-CG1 3.97Å; V189-V280 HydrophobicContact CG1-CG1 4.06Å; K194-V280 WeakPolarHBondContact CE-O 3.49Å; I227-V280 HydrophobicContact CD1-CG2 4.26Å; I227-V280 HydrophobicContact CG1-CG2 4.14Å; A277-V280 HydrophobicContact CB-CB 4.26Å; A277-V280 HydrophobicContact CB-CG2 3.88Å; V280-L286 HydrophobicContact CG1-CD1 3.86Å; V280-L286 HydrophobicContact CG1-CG 4.01Å; V280-L286 HydrophobicContact CG2-CD1 4.18Å; V280-L286 HydrophobicContact CG2-CD2 4.04Å; V280-L286 HydrophobicContact CG2-CG 4.25Å
281	N	96.8	Very high	95	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.171	18%	0.176	C	C	.	.			trans	-127.4	-5.4	-175	-69	-93.7	0	0	0	112.7	L193 K194 T279	L193-N281 VanDerWaalsContact CA-OD1 3.29Å; L193-N281 WeakPolarHBondContact CA-OD1 3.42Å; L193-N281 HydrophobicContact CD2-CB 4.12Å; K194-N281 PolarHBondContact N-OD1 3.09Å; T279-N281 PolarHBondContact O-ND2 3.42Å
282	H	97.2	Very high	95	Very high	56 Å²	56	28.5 Å²	28.5	26%	0.259	16%	0.163	S	C	.	.	S	Bend	trans	-155.5	134.3	-173.4	-167.2	-65.6	0	0	0	111.3	S284 Q285 C334	H282-S284 VanDerWaalsContact C-N 3.32Å; H282-S284 PolarHBondContact CE1-OG 3.09Å; H282-S284 PolarHBondContact ND1-N 2.89Å; H282-S284 PolarHBondContact ND1-OG 2.82Å; H282-S284 PolarHBondContact O-N 3.47Å; H282-Q285 HydrophobicContact CB-CG 4.48Å; H282-Q285 WeakPolarHBondContact O-CB 3.27Å; H282-Q285 PolarHBondContact O-N 3.04Å; H282-C334 PolarHBondContact CE1-SG 2.86Å; H282-C334 PolarHBondContact NE2-SG 2.62Å
283	P	96.6	Very high	94.9	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.052	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-56.1	-40.6	-174	18.8	-32.4	0	0	0	113.9	Q285 L286 G287 I295 M338 F339	P283-Q285 PolarHBondContact O-N 2.69Å; P283-L286 PolarHBondContact O-N 3Å; P283-G287 PolarHBondContact O-N 2.79Å; P283-I295 HydrophobicContact CB-CG1 4.31Å; P283-I295 HydrophobicContact CB-CG2 4.35Å; P283-M338 HydrophobicContact CB-CB 4.16Å; P283-M338 WeakPolarHBondContact CB-O 3.2Å; P283-M338 HydrophobicContact CG-CB 3.88Å; P283-M338 HydrophobicContact CG-CE 4.34Å; P283-M338 HydrophobicContact CG-SD 4.35Å; P283-F339 HydrophobicContact CG-CD1 4.26Å; P283-F339 HydrophobicContact CG-CE1 3.72Å; P283-F339 HydrophobicContact CG-CZ 4.21Å
284	S	95.4	Very high	94.9	Very high	62 Å²	62	28.9 Å²	28.9	43%	0.434	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-58.4	-16.1	176.8	-41.4	0	0	0	0	115.6	H282 L286	H282-S284 VanDerWaalsContact C-N 3.32Å; H282-S284 PolarHBondContact CE1-OG 3.09Å; H282-S284 PolarHBondContact ND1-N 2.89Å; H282-S284 PolarHBondContact ND1-OG 2.82Å; H282-S284 PolarHBondContact O-N 3.47Å; S284-L286 VanDerWaalsContact C-N 3.34Å
285	Q	94.6	Very high	95	Very high	57 Å²	57	29.2 Å²	29.2	27%	0.266	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-64.9	-38	169.2	-73.6	176.4	-91.8	0	0	111.6	T279 H282 P283	T279-Q285 PolarHBondContact O-NE2 2.72Å; H282-Q285 HydrophobicContact CB-CG 4.48Å; H282-Q285 WeakPolarHBondContact O-CB 3.27Å; H282-Q285 PolarHBondContact O-N 3.04Å; P283-Q285 PolarHBondContact O-N 2.69Å
286	L	94.6	Very high	95	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-19.6	-175.4	-61.4	-174.2	0	0	0	114	V187 I227 V280 P283 S284 K288 T289 P293 I295	V187-L286 HydrophobicContact CB-CD1 4.48Å; V187-L286 HydrophobicContact CG1-CD1 4.22Å; V187-L286 HydrophobicContact CG2-CD1 4.04Å; I227-L286 HydrophobicContact CD1-CD2 4.02Å; I227-L286 HydrophobicContact CG1-CD2 4.02Å; V280-L286 HydrophobicContact CG1-CD1 3.86Å; V280-L286 HydrophobicContact CG1-CG 4.01Å; V280-L286 HydrophobicContact CG2-CD1 4.18Å; V280-L286 HydrophobicContact CG2-CD2 4.04Å; V280-L286 HydrophobicContact CG2-CG 4.25Å; P283-L286 PolarHBondContact O-N 3Å; S284-L286 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 3.06Å; L286-T289 HydrophobicContact CD2-CG2 4.23Å; L286-T289 WeakPolarHBondContact O-CB 3.33Å; L286-T289 WeakPolarHBondContact O-CG2 3.44Å; L286-T289 PolarHBondContact O-N 3.13Å; L286-T289 PolarHBondContact O-OG1 3.22Å; L286-P293 HydrophobicContact CB-CG 4.08Å; L286-P293 HydrophobicContact CD1-CB 4.47Å; L286-P293 HydrophobicContact CD1-CG 3.85Å; L286-I295 HydrophobicContact CD1-CD1 4.35Å
287	G	90.9	Very high	95.1	Very high	47 Å²	47	27.7 Å²	27.7	49%	0.485	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21	-179	0	0	0	0	0	115.8	R232 P283	R232-G287 PolarHBondContact NH1-O 3.31Å; P283-G287 PolarHBondContact O-N 2.79Å
288	K	89.8	Confident	95.3	Very high	147 Å²	147	28.2 Å²	28.2	64%	0.639	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.5	175.4	-66.8	-176.5	179.5	177	0	114.4	K231 R232 L286	K231-K288 WeakPolarHBondContact CA-O 3.26Å; K231-K288 HydrophobicContact CG-CB 4.21Å; R232-K288 PolarHBondContact N-O 3.37Å; L286-K288 PolarHBondContact O-N 3.06Å
289	T	92.6	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-89.6	177	175.9	74.6	0	0	0	0	112.2	I227 A230 R232 L286 L291	I227-T289 WeakPolarHBondContact O-CG2 3.44Å; A230-T289 HydrophobicContact CB-CG2 4.03Å; A230-T289 VanDerWaalsContact O-CA 3.28Å; A230-T289 WeakPolarHBondContact O-CA 3.38Å; A230-T289 WeakPolarHBondContact O-CB 3.31Å; R232-T289 WeakPolarHBondContact CD-O 3.4Å; R232-T289 PolarHBondContact NH1-O 2.93Å; L286-T289 HydrophobicContact CD2-CG2 4.23Å; L286-T289 WeakPolarHBondContact O-CB 3.33Å; L286-T289 WeakPolarHBondContact O-CG2 3.44Å; L286-T289 PolarHBondContact O-N 3.13Å; L286-T289 PolarHBondContact O-OG1 3.22Å; T289-L291 PolarHBondContact OG1-N 3.45Å
290	S	93.1	Very high	95.9	Very high	30 Å²	30	28.1 Å²	28.1	21%	0.21	16%	0.156	C	C	.	.	S	Bend	trans	-95.2	4.9	167.9	-105.3	0	0	0	0	113.8	V179 V180 P181 R232 A292	V179-S290 WeakPolarHBondContact O-CB 3.44Å; V179-S290 PolarHBondContact O-OG 2.76Å; V180-S290 WeakPolarHBondContact CA-O 3.26Å; V180-S290 WeakPolarHBondContact CG1-O 3.4Å; P181-S290 WeakPolarHBondContact CD-O 3.34Å; R232-S290 WeakPolarHBondContact CD-OG 3.35Å; S290-A292 PolarHBondContact O-N 2.98Å
291	L	95.6	Very high	95.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.183	C	C	.	.			trans	-70.4	-30.4	-177.7	-69.6	-179.4	0	0	0	113.6	P181 P185 I227 I260 I263 F264 T289 P293	P181-L291 WeakPolarHBondContact CD-O 3.3Å; P181-L291 HydrophobicContact CG-CD2 4.14Å; P185-L291 WeakPolarHBondContact CD-O 3.47Å; P185-L291 HydrophobicContact CG-CB 4.25Å; I227-L291 HydrophobicContact CD1-CD1 3.96Å; I260-L291 HydrophobicContact CD1-CD1 3.69Å; I260-L291 HydrophobicContact CD1-CD2 3.65Å; I260-L291 HydrophobicContact CD1-CG 3.66Å; I260-L291 HydrophobicContact CG2-CD2 4.5Å; I263-L291 HydrophobicContact CB-CD2 4.27Å; I263-L291 HydrophobicContact CD1-CD1 4.31Å; I263-L291 HydrophobicContact CD1-CD2 4.26Å; I263-L291 HydrophobicContact CG2-CD2 3.79Å; F264-L291 HydrophobicContact CE2-CD2 4.44Å; T289-L291 PolarHBondContact OG1-N 3.45Å; L291-P293 VanDerWaalsContact C-N 3.29Å
292	A	96	Very high	95.9	Very high	7 Å²	7	33.3 Å²	33.3	6%	0.058	19%	0.191	C	C	.	.			trans	41.6	50.3	-174.9	0	0	0	0	0	113.9	F87 V180 R184 S290	F87-A292 HydrophobicContact CE1-CB 3.65Å; F87-A292 HydrophobicContact CZ-CB 3.95Å; V180-A292 HydrophobicContact CB-CB 4.28Å; V180-A292 HydrophobicContact CG1-CB 3.84Å; R184-A292 WeakPolarHBondContact CG-O 3.34Å; R184-A292 PolarHBondContact NE-O 2.93Å; S290-A292 PolarHBondContact O-N 2.98Å
293	P	97.6	Very high	95.9	Very high	11 Å²	11	34 Å²	34	7%	0.071	20%	0.201	C	C	.	.			trans	-60.9	160.6	-171.9	30.5	-40.2	0	0	0	112.8	R184 P185 V187 L286 L291 I295	R184-P293 PolarHBondContact NH2-O 3.04Å; P185-P293 HydrophobicContact CG-CB 4.2Å; P185-P293 CarbonylContact O-C 3.55Å; P185-P293 WeakPolarHBondContact O-CA 3.29Å; P185-P293 WeakPolarHBondContact O-CB 3.27Å; V187-P293 HydrophobicContact CB-CB 4.46Å; V187-P293 HydrophobicContact CG2-CB 3.71Å; L286-P293 HydrophobicContact CB-CG 4.08Å; L286-P293 HydrophobicContact CD1-CB 4.47Å; L286-P293 HydrophobicContact CD1-CG 3.85Å; L291-P293 VanDerWaalsContact C-N 3.29Å; P293-I295 HydrophobicContact CB-CD1 4.07Å; P293-I295 HydrophobicContact CG-CD1 3.51Å; P293-I295 HydrophobicContact CG-CG1 4.24Å
294	I	98.5	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	113.1	159.6	-70.4	163.5	0	0	0	106.7	R184 P185 V186 V187 V296 D340 I341 Y358 L359 Y362	R184-I294 HydrophobicContact CB-CD1 3.99Å; R184-I294 HydrophobicContact CB-CG1 3.79Å; P185-I294 PolarHBondContact O-N 2.88Å; V186-I294 WeakPolarHBondContact CA-O 3.49Å; V186-I294 HydrophobicContact CG1-CG2 4.34Å; V186-I294 HydrophobicContact CG2-CB 4.34Å; V186-I294 HydrophobicContact CG2-CD1 4.35Å; V187-I294 PolarHBondContact N-O 2.91Å; I294-V296 HydrophobicContact CG2-CG2 4.22Å; I294-D340 WeakPolarHBondContact CA-OD2 3.22Å; I294-D340 HydrophobicContact CB-CB 4.49Å; I294-D340 HydrophobicContact CG2-CB 3.81Å; I294-I341 HydrophobicContact CG2-CD1 4.48Å; I294-I341 HydrophobicContact CG2-CG1 4.5Å; I294-Y358 HydrophobicContact CD1-CE1 4.36Å; I294-Y358 HydrophobicContact CG2-CE1 4.16Å; I294-L359 HydrophobicContact CD1-CD2 4.32Å; I294-Y362 HydrophobicContact CD1-CD1 3.66Å; I294-Y362 HydrophobicContact CD1-CD2 4.43Å; I294-Y362 HydrophobicContact CD1-CE1 3.72Å; I294-Y362 HydrophobicContact CD1-CG 4.05Å
295	I	98.3	Very high	96.1	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.6	177	-53.4	-63.9	0	0	0	109.8	V187 V189 P283 L286 P293 F339 D340 I341	V187-I295 HydrophobicContact CB-CD1 4.25Å; V189-I295 HydrophobicContact CG2-CG2 3.67Å; P283-I295 HydrophobicContact CB-CG1 4.31Å; P283-I295 HydrophobicContact CB-CG2 4.35Å; L286-I295 HydrophobicContact CD1-CD1 4.35Å; P293-I295 HydrophobicContact CB-CD1 4.07Å; P293-I295 HydrophobicContact CG-CD1 3.51Å; P293-I295 HydrophobicContact CG-CG1 4.24Å; I295-F339 HydrophobicContact CG2-CD1 3.76Å; I295-F339 HydrophobicContact CG2-CE1 4.38Å; I295-D340 PolarHBondContact N-OD2 2.98Å; I295-D340 PolarHBondContact O-N 2.75Å; I295-I341 PolarHBondContact O-N 3.16Å
296	V	98.6	Very high	96.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	115.9	173.9	-175.5	0	0	0	0	108.7	V186 V187 L188 V189 I294 I341 L343 M355	V186-V296 HydrophobicContact CG1-CG2 3.62Å; V187-V296 PolarHBondContact O-N 2.91Å; L188-V296 WeakPolarHBondContact CA-O 3.44Å; L188-V296 HydrophobicContact CD1-CB 4.12Å; L188-V296 HydrophobicContact CD1-CG2 4.29Å; L188-V296 HydrophobicContact CG-CB 4.16Å; L188-V296 HydrophobicContact CG-CG1 4.37Å; V189-V296 PolarHBondContact N-O 2.7Å; I294-V296 HydrophobicContact CG2-CG2 4.22Å; V296-I341 HydrophobicContact CG1-CB 4.26Å; V296-I341 HydrophobicContact CG2-CB 4.32Å; V296-I341 HydrophobicContact CG2-CD1 3.92Å; V296-I341 HydrophobicContact CG2-CG1 4.27Å; V296-L343 HydrophobicContact CG1-CD1 3.65Å; V296-L343 HydrophobicContact CG1-CG 4.03Å; V296-M355 HydrophobicContact CG1-SD 4.33Å
297	Y	98.6	Very high	96.4	Very high	12 Å²	12	41.7 Å²	41.7	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	109.9	176	176.8	-155	0	0	0	110.6	V189 K299 L331 A332 F339 I341 I342 L343	V189-Y297 WeakPolarHBondContact O-CA 3.26Å; Y297-K299 HydrophobicContact CD1-CB 4.12Å; Y297-K299 HydrophobicContact CD2-CB 4.31Å; Y297-K299 HydrophobicContact CE1-CB 3.81Å; Y297-K299 HydrophobicContact CE1-CD 4.01Å; Y297-K299 HydrophobicContact CE1-CG 3.95Å; Y297-K299 HydrophobicContact CE2-CB 3.98Å; Y297-K299 HydrophobicContact CG-CB 4.35Å; Y297-K299 PolarHBondContact O-N 2.81Å; Y297-L331 HydrophobicContact CD2-CD1 4.45Å; Y297-L331 HydrophobicContact CE1-CB 4.5Å; Y297-L331 HydrophobicContact CE2-CB 3.74Å; Y297-L331 HydrophobicContact CE2-CD1 4.01Å; Y297-L331 HydrophobicContact CE2-CG 4.35Å; Y297-A332 PolarHBondContact OH-N 2.9Å; Y297-F339 HydrophobicContact CD1-CD1 4.35Å; Y297-F339 AromaticContact CD1-CD2 3.98Å; Y297-F339 HydrophobicContact CD1-CD2 3.98Å; Y297-F339 HydrophobicContact CD1-CE1 4.02Å; Y297-F339 AromaticContact CD1-CE2 3.64Å; Y297-F339 HydrophobicContact CD1-CE2 3.64Å; Y297-F339 HydrophobicContact CD1-CG 4.31Å; Y297-F339 AromaticContact CD1-CZ 3.65Å; Y297-F339 HydrophobicContact CD1-CZ 3.65Å; Y297-F339 HydrophobicContact CE1-CE2 4.14Å; Y297-F339 HydrophobicContact CE1-CZ 4.15Å; Y297-F339 HydrophobicContact CG-CD1 4.19Å; Y297-F339 AromaticContact CG-CE1 3.91Å; Y297-F339 HydrophobicContact CG-CE1 3.91Å; Y297-F339 HydrophobicContact CG-CE2 4.35Å; Y297-F339 AromaticContact CG-CZ 3.99Å; Y297-F339 HydrophobicContact CG-CZ 3.99Å; Y297-I341 PolarHBondContact N-O 2.84Å; Y297-I342 HydrophobicContact CD1-CG1 4.4Å; Y297-I342 HydrophobicContact CD1-CG2 4.14Å; Y297-L343 PolarHBondContact O-N 2.97Å
298	V	98.3	Very high	96.7	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	113.2	167.7	-172.7	0	0	0	0	107.8	V189 G190 P191 M202 L206	V189-V298 PolarHBondContact O-N 3.14Å; G190-V298 CarbonylContact C-O 3.52Å; P191-V298 WeakPolarHBondContact CA-O 3.34Å; P191-V298 WeakPolarHBondContact CB-O 3.16Å; P191-V298 HydrophobicContact CG-CG1 4.5Å; M202-V298 HydrophobicContact CE-CG1 4.01Å; L206-V298 HydrophobicContact CD1-CG2 3.46Å; L206-V298 VanDerWaalsContact CD1-CG2 3.46Å
299	K	97.8	Very high	97.1	Very high	63 Å²	63	43.2 Å²	43.2	27%	0.274	22%	0.222	S	C	.	.			trans	-118.8	114.4	-168.4	172	-176.5	156.3	-151.6	0	111	Y297 T301 I342 L343 D344	Y297-K299 HydrophobicContact CD1-CB 4.12Å; Y297-K299 HydrophobicContact CD2-CB 4.31Å; Y297-K299 HydrophobicContact CE1-CB 3.81Å; Y297-K299 HydrophobicContact CE1-CD 4.01Å; Y297-K299 HydrophobicContact CE1-CG 3.95Å; Y297-K299 HydrophobicContact CE2-CB 3.98Å; Y297-K299 HydrophobicContact CG-CB 4.35Å; Y297-K299 PolarHBondContact O-N 2.81Å; K299-T301 WeakPolarHBondContact CE-OG1 3.16Å; K299-T301 PolarHBondContact O-N 3.31Å; K299-I342 HydrophobicContact CB-CG2 4.09Å; K299-I342 HydrophobicContact CD-CG2 3.7Å; K299-L343 PolarHBondContact N-O 3.41Å; K299-D344 HydrophobicContact CB-CB 3.98Å; K299-D344 HydrophobicContact CD-CB 3.8Å; K299-D344 WeakPolarHBondContact CE-OD2 3.36Å; K299-D344 HydrophobicContact CG-CB 3.96Å; K299-D344 IonicContact NZ-OD2 3.88Å; K299-D344 PolarHBondContact NZ-OD2 3.5Å; K299-D344 WeakPolarHBondContact O-CA 3.29Å
300	I	97.6	Very high	97.4	Very high	35 Å²	35	43.2 Å²	43.2	18%	0.179	22%	0.222	C	C	.	.			trans	-86.7	101.9	167	-66.2	169.8	0	0	0	108.5	P191 M202 S302 V305 L306 L309	P191-I300 HydrophobicContact CB-CB 4.21Å; P191-I300 HydrophobicContact CB-CD1 3.68Å; P191-I300 HydrophobicContact CB-CG1 3.69Å; P191-I300 HydrophobicContact CG-CD1 3.6Å; P191-I300 HydrophobicContact CG-CG1 4.06Å; M202-I300 HydrophobicContact CE-CD1 4.1Å; M202-I300 HydrophobicContact CE-CG1 4.26Å; M202-I300 HydrophobicContact SD-CD1 4.07Å; I300-S302 WeakPolarHBondContact CG2-O 2.86Å; I300-S302 PolarHBondContact O-N 3.23Å; I300-S302 VanDerWaalsContact O-N 3.08Å; I300-V305 HydrophobicContact CG2-CB 4.06Å; I300-V305 HydrophobicContact CG2-CG1 4.12Å; I300-L306 HydrophobicContact CD1-CB 4.33Å; I300-L306 HydrophobicContact CD1-CD1 4.06Å; I300-L306 HydrophobicContact CG2-CB 4.15Å; I300-L309 HydrophobicContact CD1-CD1 3.82Å
301	T	95.3	Very high	97.7	Very high	92 Å²	92	46.7 Å²	46.7	56%	0.564	23%	0.234	S	C	*	.	S	Bend	trans	-58.7	-21.4	-176	-66.6	0	0	0	0	114.8	K299	K299-T301 WeakPolarHBondContact CE-OG1 3.16Å; K299-T301 PolarHBondContact O-N 3.31Å
302	S	96.9	Very high	97.8	Very high	49 Å²	49	51 Å²	51	34%	0.343	26%	0.263	S	S	.	.			trans	-112.6	110.8	175.9	-172.3	0	0	0	0	112.3	I300 K304 V305 L306	I300-S302 WeakPolarHBondContact CG2-O 2.86Å; I300-S302 PolarHBondContact O-N 3.23Å; I300-S302 VanDerWaalsContact O-N 3.08Å; S302-K304 PolarHBondContact O-N 3.44Å; S302-K304 VanDerWaalsContact O-N 3.11Å; S302-V305 WeakPolarHBondContact O-CA 3.36Å; S302-V305 WeakPolarHBondContact O-CB 3.42Å; S302-V305 PolarHBondContact O-N 2.87Å; S302-L306 PolarHBondContact O-N 2.8Å
303	P	96.7	Very high	97.9	Very high	71 Å²	71	55.4 Å²	55.4	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-55.1	-30.6	173.2	-28.9	36.4	0	0	0	113.4	V305 L306 Q307 M325	P303-V305 VanDerWaalsContact C-N 3.31Å; P303-V305 PolarHBondContact O-N 3.23Å; P303-L306 PolarHBondContact O-N 3.49Å; P303-Q307 WeakPolarHBondContact O-CB 3.48Å; P303-Q307 PolarHBondContact O-N 2.65Å; P303-M325 HydrophobicContact CB-CE 3.72Å
304	K	97.9	Very high	97.9	Very high	152 Å²	152	56.3 Å²	56.3	66%	0.661	29%	0.29	S	S	*	.	H	α-helix	trans	-67.4	-28	174.7	-65.5	-177.6	-178.9	178	0	112.8	S302 R308	S302-K304 PolarHBondContact O-N 3.44Å; S302-K304 VanDerWaalsContact O-N 3.11Å; K304-R308 WeakPolarHBondContact O-CG 3.4Å; K304-R308 PolarHBondContact O-N 2.99Å
305	V	98.1	Very high	97.8	Very high	60 Å²	60	65.7 Å²	65.7	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-75.4	-48	174.1	173.2	0	0	0	0	110.3	I300 S302 P303 Q307 R308 L309	I300-V305 HydrophobicContact CG2-CB 4.06Å; I300-V305 HydrophobicContact CG2-CG1 4.12Å; S302-V305 WeakPolarHBondContact O-CA 3.36Å; S302-V305 WeakPolarHBondContact O-CB 3.42Å; S302-V305 PolarHBondContact O-N 2.87Å; P303-V305 VanDerWaalsContact C-N 3.31Å; P303-V305 PolarHBondContact O-N 3.23Å; V305-Q307 VanDerWaalsContact C-N 3.27Å; V305-Q307 PolarHBondContact O-N 3.08Å; V305-R308 WeakPolarHBondContact O-CB 3.49Å; V305-R308 PolarHBondContact O-N 3.15Å; V305-L309 HydrophobicContact CG1-CD1 3.98Å; V305-L309 HydrophobicContact CG1-CG 4.39Å; V305-L309 WeakPolarHBondContact O-CG 3.34Å; V305-L309 PolarHBondContact O-N 2.88Å
306	L	98.1	Very high	97.7	Very high	3 Å²	3	68 Å²	68	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-55.8	-43.4	173.3	176.6	59.9	0	0	0	111.4	V198 I300 S302 P303 R308 L309 I310 M325 A328	V198-L306 HydrophobicContact CG1-CD1 4.13Å; I300-L306 HydrophobicContact CD1-CB 4.33Å; I300-L306 HydrophobicContact CD1-CD1 4.06Å; I300-L306 HydrophobicContact CG2-CB 4.15Å; S302-L306 PolarHBondContact O-N 2.8Å; P303-L306 PolarHBondContact O-N 3.49Å; L306-R308 VanDerWaalsContact C-N 3.28Å; L306-R308 PolarHBondContact O-N 2.78Å; L306-L309 PolarHBondContact O-N 3.19Å; L306-I310 HydrophobicContact CD1-CD1 3.73Å; L306-I310 HydrophobicContact CD1-CG1 3.96Å; L306-I310 HydrophobicContact CG-CD1 3.78Å; L306-I310 HydrophobicContact CG-CG1 4.43Å; L306-I310 WeakPolarHBondContact O-CG1 3.47Å; L306-I310 PolarHBondContact O-N 3.16Å; L306-M325 HydrophobicContact CB-SD 4.41Å; L306-M325 HydrophobicContact CD2-CE 4.16Å; L306-M325 HydrophobicContact CD2-SD 3.95Å; L306-M325 HydrophobicContact CG-SD 3.95Å; L306-A328 HydrophobicContact CD2-CB 3.42Å; L306-A328 VanDerWaalsContact CD2-CB 3.42Å
307	Q	98.2	Very high	97.6	Very high	76 Å²	76	69 Å²	69	36%	0.355	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-36.9	176.8	-155.3	-151.6	55.6	0	0	112.9	P303 V305 K311 L321 M325	P303-Q307 WeakPolarHBondContact O-CB 3.48Å; P303-Q307 PolarHBondContact O-N 2.65Å; V305-Q307 VanDerWaalsContact C-N 3.27Å; V305-Q307 PolarHBondContact O-N 3.08Å; Q307-K311 VanDerWaalsContact CD-NZ 3.34Å; Q307-K311 WeakPolarHBondContact O-CB 3.36Å; Q307-K311 WeakPolarHBondContact O-CD 3.47Å; Q307-K311 VanDerWaalsContact O-CG 3.23Å; Q307-K311 WeakPolarHBondContact O-CG 3.39Å; Q307-K311 PolarHBondContact O-N 3.2Å; Q307-L321 HydrophobicContact CB-CD1 4.42Å; Q307-L321 HydrophobicContact CG-CD1 3.7Å; Q307-L321 HydrophobicContact CG-CD2 3.78Å; Q307-L321 HydrophobicContact CG-CG 4.26Å; Q307-M325 HydrophobicContact CB-SD 4.29Å
308	R	98.3	Very high	97.5	Very high	161 Å²	161	70 Å²	70	61%	0.608	36%	0.364	S	S	*	.	H	α-helix	trans	-73.3	-41.4	176	-72.1	172.4	-174.2	133.7	-8.2	111.9	K304 V305 L306 K311 S312	K304-R308 WeakPolarHBondContact O-CG 3.4Å; K304-R308 PolarHBondContact O-N 2.99Å; V305-R308 WeakPolarHBondContact O-CB 3.49Å; V305-R308 PolarHBondContact O-N 3.15Å; L306-R308 VanDerWaalsContact C-N 3.28Å; L306-R308 PolarHBondContact O-N 2.78Å; R308-K311 PolarHBondContact O-N 3.41Å; R308-S312 PolarHBondContact O-N 2.82Å
309	L	98.2	Very high	97.5	Very high	65 Å²	65	76.7 Å²	76.7	34%	0.34	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-43	177.1	-69.5	169	0	0	0	111.9	V198 I300 V305 L306 K311 S312 R313	V198-L309 HydrophobicContact CG1-CB 4.18Å; V198-L309 HydrophobicContact CG2-CB 4.44Å; I300-L309 HydrophobicContact CD1-CD1 3.82Å; V305-L309 HydrophobicContact CG1-CD1 3.98Å; V305-L309 HydrophobicContact CG1-CG 4.39Å; V305-L309 WeakPolarHBondContact O-CG 3.34Å; V305-L309 PolarHBondContact O-N 2.88Å; L306-L309 PolarHBondContact O-N 3.19Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 2.89Å; L309-S312 PolarHBondContact O-N 2.81Å; L309-S312 PolarHBondContact O-OG 3.02Å; L309-R313 PolarHBondContact O-N 3.1Å
310	I	98.4	Very high	97.5	Very high	0 Å²	0	77 Å²	77	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-64.7	-37.8	175.6	-63.7	165.5	0	0	0	111.1	V198 L306 Q317 L321 Q324 M325	V198-I310 HydrophobicContact CG2-CG1 3.99Å; L306-I310 HydrophobicContact CD1-CD1 3.73Å; L306-I310 HydrophobicContact CD1-CG1 3.96Å; L306-I310 HydrophobicContact CG-CD1 3.78Å; L306-I310 HydrophobicContact CG-CG1 4.43Å; L306-I310 WeakPolarHBondContact O-CG1 3.47Å; L306-I310 PolarHBondContact O-N 3.16Å; I310-Q317 HydrophobicContact CG2-CB 4.31Å; I310-L321 HydrophobicContact CB-CD1 3.89Å; I310-L321 HydrophobicContact CD1-CD1 3.73Å; I310-L321 HydrophobicContact CG1-CD1 4.42Å; I310-L321 HydrophobicContact CG2-CB 4.27Å; I310-L321 HydrophobicContact CG2-CD1 3.84Å; I310-Q324 HydrophobicContact CD1-CB 3.61Å; I310-Q324 HydrophobicContact CD1-CG 4.39Å; I310-M325 HydrophobicContact CD1-SD 4.26Å
311	K	98.1	Very high	97.5	Very high	103 Å²	103	76.1 Å²	76.1	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-69.8	-35.4	176.5	-75.1	170.6	178.7	175.5	0	112.9	Q307 R308 L309 R313 G314	Q307-K311 VanDerWaalsContact CD-NZ 3.34Å; Q307-K311 WeakPolarHBondContact O-CB 3.36Å; Q307-K311 WeakPolarHBondContact O-CD 3.47Å; Q307-K311 VanDerWaalsContact O-CG 3.23Å; Q307-K311 WeakPolarHBondContact O-CG 3.39Å; Q307-K311 PolarHBondContact O-N 3.2Å; R308-K311 PolarHBondContact O-N 3.41Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 2.89Å; K311-R313 VanDerWaalsContact C-N 3.3Å; K311-R313 PolarHBondContact O-N 2.79Å; K311-G314 PolarHBondContact O-N 3.01Å
312	S	98	Very high	97.7	Very high	90 Å²	90	77.9 Å²	77.9	63%	0.629	40%	0.396	S	S	*	.	H	α-helix	trans	-70.8	-23.4	-179.5	69.4	0	0	0	0	113.4	R308 L309 G314	R308-S312 PolarHBondContact O-N 2.82Å; L309-S312 PolarHBondContact O-N 2.81Å; L309-S312 PolarHBondContact O-OG 3.02Å; S312-G314 PolarHBondContact O-N 3.21Å
313	R	97.8	Very high	97.7	Very high	100 Å²	100	78.8 Å²	78.8	38%	0.377	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-1.8	166.6	-56.3	-51.6	-60.7	-167.6	-3.8	114.1	E197 V198 M201 L309 K311 S316 Q317	E197-R313 HydrophobicContact CB-CG 4.34Å; E197-R313 IonicContact OE2-CZ 3.17Å; E197-R313 IonicContact OE2-NE 2.7Å; E197-R313 PolarHBondContact OE2-NE 3.36Å; E197-R313 IonicContact OE2-NH2 2.71Å; E197-R313 PolarHBondContact OE2-NH2 2.68Å; V198-R313 HydrophobicContact CG2-CG 3.82Å; M201-R313 VanDerWaalsContact SD-CZ 3.6Å; M201-R313 PolarHBondContact SD-NH1 3.3Å; M201-R313 VanDerWaalsContact SD-NH1 3.42Å; L309-R313 PolarHBondContact O-N 3.1Å; K311-R313 VanDerWaalsContact C-N 3.3Å; K311-R313 PolarHBondContact O-N 2.79Å; R313-S316 PolarHBondContact O-OG 2.93Å; R313-Q317 HydrophobicContact CB-CB 3.75Å; R313-Q317 HydrophobicContact CB-CG 3.52Å; R313-Q317 HydrophobicContact CG-CG 4.31Å
314	G	97.5	Very high	97.8	Very high	30 Å²	30	75.4 Å²	75.4	31%	0.309	38%	0.377	S	S	.	.			trans	84.2	-172.9	171.8	0	0	0	0	0	115.2	K311 S312 S316 Q317 A318	K311-G314 PolarHBondContact O-N 3.01Å; S312-G314 PolarHBondContact O-N 3.21Å; G314-S316 PolarHBondContact O-N 2.87Å; G314-S316 VanDerWaalsContact O-N 3.15Å; G314-Q317 PolarHBondContact O-N 3.28Å; G314-Q317 VanDerWaalsContact O-N 3.13Å; G314-A318 WeakPolarHBondContact O-CB 3.42Å; G314-A318 PolarHBondContact O-N 3.09Å
315	K	96.2	Very high	97.8	Very high	197 Å²	197	69.5 Å²	69.5	86%	0.857	35%	0.352	S	S	*	.	H	α-helix	trans	-60.9	-26.7	-169.7	-63.5	-177.8	-179.3	179.4	0	113.8	K319	K315-K319 PolarHBondContact O-N 3.48Å
316	S	96.8	Very high	97.8	Very high	59 Å²	59	70.1 Å²	70.1	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-60.7	-42.6	175.6	44.5	0	0	0	0	112.8	R313 G314 K319	R313-S316 PolarHBondContact O-OG 2.93Å; G314-S316 PolarHBondContact O-N 2.87Å; G314-S316 VanDerWaalsContact O-N 3.15Å; S316-K319 WeakPolarHBondContact O-CD 3.26Å; S316-K319 WeakPolarHBondContact O-CE 3.44Å; S316-K319 WeakPolarHBondContact O-CG 3.44Å
317	Q	97.3	Very high	97.8	Very high	19 Å²	19	70.7 Å²	70.7	9%	0.089	36%	0.361	C	S	.	.	H	α-helix	trans	-92.2	-39.3	-179.5	-66.4	-59.6	-31.7	0	0	112	E197 I310 R313 G314 K319 H320	E197-Q317 HydrophobicContact CB-CG 4.28Å; E197-Q317 HydrophobicContact CG-CG 4.31Å; E197-Q317 WeakPolarHBondContact OE1-CG 3.47Å; E197-Q317 PolarHBondContact OE1-NE2 2.97Å; I310-Q317 HydrophobicContact CG2-CB 4.31Å; R313-Q317 HydrophobicContact CB-CB 3.75Å; R313-Q317 HydrophobicContact CB-CG 3.52Å; R313-Q317 HydrophobicContact CG-CG 4.31Å; G314-Q317 PolarHBondContact O-N 3.28Å; G314-Q317 VanDerWaalsContact O-N 3.13Å; Q317-K319 PolarHBondContact O-N 3.1Å; Q317-K319 VanDerWaalsContact O-N 3.13Å; Q317-H320 WeakPolarHBondContact O-CA 3.42Å; Q317-H320 PolarHBondContact O-N 3.14Å
318	A	97.2	Very high	97.8	Very high	35 Å²	35	67.7 Å²	67.7	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-30.4	-179.6	0	0	0	0	0	113.7	G314 H320 L321	G314-A318 WeakPolarHBondContact O-CB 3.42Å; G314-A318 PolarHBondContact O-N 3.09Å; A318-H320 PolarHBondContact O-N 3.27Å; A318-L321 WeakPolarHBondContact O-CB 3.18Å; A318-L321 PolarHBondContact O-N 2.84Å; A318-L321 VanDerWaalsContact O-N 3.15Å
319	K	97.4	Very high	97.7	Very high	151 Å²	151	62.9 Å²	62.9	66%	0.657	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.4	173.9	80.3	-163.7	-173.1	-170.4	0	113.9	K315 S316 Q317	K315-K319 PolarHBondContact O-N 3.48Å; S316-K319 WeakPolarHBondContact O-CD 3.26Å; S316-K319 WeakPolarHBondContact O-CE 3.44Å; S316-K319 WeakPolarHBondContact O-CG 3.44Å; Q317-K319 PolarHBondContact O-N 3.1Å; Q317-K319 VanDerWaalsContact O-N 3.13Å
320	H	97.7	Very high	97.7	Very high	68 Å²	68	65.2 Å²	65.2	32%	0.315	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	12.3	177.6	-65.3	-69.4	0	0	0	113	Y196 Q317 A318 N322 V323 Q324	Y196-H320 HydrophobicContact CD1-CB 4.22Å; Y196-H320 HydrophobicContact CE1-CB 3.48Å; Y196-H320 VanDerWaalsContact CE1-CB 3.48Å; Y196-H320 AromaticContact CE1-CD2 3.81Å; Y196-H320 AromaticContact CE1-CG 3.58Å; Q317-H320 WeakPolarHBondContact O-CA 3.42Å; Q317-H320 PolarHBondContact O-N 3.14Å; A318-H320 PolarHBondContact O-N 3.27Å; H320-N322 PolarHBondContact O-N 3.1Å; H320-V323 HydrophobicContact CB-CG1 3.99Å; H320-V323 WeakPolarHBondContact O-CG1 3.26Å; H320-V323 PolarHBondContact O-N 3.47Å; H320-Q324 PolarHBondContact O-N 3.4Å; H320-Q324 VanDerWaalsContact O-N 3.17Å
321	L	97.9	Very high	97.7	Very high	18 Å²	18	65.4 Å²	65.4	9%	0.094	34%	0.344	C	S	.	.	H	α-helix	trans	-51.7	-51.3	-177.3	176.6	61.8	0	0	0	112.8	Q307 I310 A318 V323 Q324 M325	Q307-L321 HydrophobicContact CB-CD1 4.42Å; Q307-L321 HydrophobicContact CG-CD1 3.7Å; Q307-L321 HydrophobicContact CG-CD2 3.78Å; Q307-L321 HydrophobicContact CG-CG 4.26Å; I310-L321 HydrophobicContact CB-CD1 3.89Å; I310-L321 HydrophobicContact CD1-CD1 3.73Å; I310-L321 HydrophobicContact CG1-CD1 4.42Å; I310-L321 HydrophobicContact CG2-CB 4.27Å; I310-L321 HydrophobicContact CG2-CD1 3.84Å; A318-L321 WeakPolarHBondContact O-CB 3.18Å; A318-L321 PolarHBondContact O-N 2.84Å; A318-L321 VanDerWaalsContact O-N 3.15Å; L321-V323 VanDerWaalsContact C-N 3.35Å; L321-V323 PolarHBondContact O-N 2.85Å; L321-Q324 PolarHBondContact O-N 3.01Å; L321-M325 HydrophobicContact CD1-CG 3.9Å; L321-M325 HydrophobicContact CD1-SD 4.04Å; L321-M325 HydrophobicContact CG-CG 4.26Å; L321-M325 WeakPolarHBondContact O-CG 3.3Å; L321-M325 PolarHBondContact O-N 2.71Å
322	N	98.1	Very high	97.6	Very high	129 Å²	129	64 Å²	64	69%	0.69	35%	0.352	S	S	*	.	H	α-helix	trans	-64.7	-36.6	-173.2	-63.8	1.4	0	0	0	112.9	H320 V326	H320-N322 PolarHBondContact O-N 3.1Å; N322-V326 WeakPolarHBondContact O-CB 3.26Å; N322-V326 VanDerWaalsContact O-CG2 3.3Å; N322-V326 WeakPolarHBondContact O-CG2 3.47Å; N322-V326 PolarHBondContact O-N 2.88Å
323	V	98.2	Very high	97.5	Very high	67 Å²	67	66.8 Å²	66.8	41%	0.406	36%	0.355	S	S	.	.	H	α-helix	trans	-74.3	-31.1	178.5	62.9	0	0	0	0	111.9	L193 H320 L321 A327	L193-V323 HydrophobicContact CD1-CG2 3.9Å; H320-V323 HydrophobicContact CB-CG1 3.99Å; H320-V323 WeakPolarHBondContact O-CG1 3.26Å; H320-V323 PolarHBondContact O-N 3.47Å; L321-V323 VanDerWaalsContact C-N 3.35Å; L321-V323 PolarHBondContact O-N 2.85Å; V323-A327 PolarHBondContact O-N 3.3Å
324	Q	98.2	Very high	97.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-69.8	-43.8	171	-77.5	-177.6	64.5	0	0	112.1	S192 Y196 I310 H320 L321 A327 A328	S192-Q324 WeakPolarHBondContact OG-CA 3.3Å; S192-Q324 WeakPolarHBondContact OG-CB 3.25Å; S192-Q324 PolarHBondContact OG-O 3.41Å; Y196-Q324 HydrophobicContact CD1-CG 4.23Å; Y196-Q324 HydrophobicContact CD2-CG 3.88Å; Y196-Q324 HydrophobicContact CE1-CG 4.46Å; Y196-Q324 HydrophobicContact CE2-CG 4.13Å; Y196-Q324 HydrophobicContact CG-CG 3.91Å; I310-Q324 HydrophobicContact CD1-CB 3.61Å; I310-Q324 HydrophobicContact CD1-CG 4.39Å; H320-Q324 PolarHBondContact O-N 3.4Å; H320-Q324 VanDerWaalsContact O-N 3.17Å; L321-Q324 PolarHBondContact O-N 3.01Å; Q324-A327 PolarHBondContact O-N 3.49Å; Q324-A328 PolarHBondContact O-N 3Å; Q324-A328 VanDerWaalsContact O-N 3.14Å
325	M	98.3	Very high	97.5	Very high	28 Å²	28	64.4 Å²	64.4	14%	0.138	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-51	176.1	-65.8	-49.5	-52.6	0	0	111.5	P303 L306 Q307 I310 L321 A327 A328 D329	P303-M325 HydrophobicContact CB-CE 3.72Å; L306-M325 HydrophobicContact CB-SD 4.41Å; L306-M325 HydrophobicContact CD2-CE 4.16Å; L306-M325 HydrophobicContact CD2-SD 3.95Å; L306-M325 HydrophobicContact CG-SD 3.95Å; Q307-M325 HydrophobicContact CB-SD 4.29Å; I310-M325 HydrophobicContact CD1-SD 4.26Å; L321-M325 HydrophobicContact CD1-CG 3.9Å; L321-M325 HydrophobicContact CD1-SD 4.04Å; L321-M325 HydrophobicContact CG-CG 4.26Å; L321-M325 WeakPolarHBondContact O-CG 3.3Å; L321-M325 PolarHBondContact O-N 2.71Å; M325-A327 PolarHBondContact O-N 2.69Å; M325-A328 WeakPolarHBondContact O-CA 3.35Å; M325-A328 WeakPolarHBondContact O-CB 3.48Å; M325-A328 PolarHBondContact O-N 2.78Å; M325-D329 PolarHBondContact O-N 3.3Å
326	V	98.2	Very high	97.4	Very high	74 Å²	74	58.8 Å²	58.8	45%	0.448	33%	0.332	S	S	.	.	H	α-helix	trans	-59.6	-24.2	-179.6	167.6	0	0	0	0	113.3	N322 K330	N322-V326 WeakPolarHBondContact O-CB 3.26Å; N322-V326 VanDerWaalsContact O-CG2 3.3Å; N322-V326 WeakPolarHBondContact O-CG2 3.47Å; N322-V326 PolarHBondContact O-N 2.88Å; V326-K330 WeakPolarHBondContact O-CD 3.49Å; V326-K330 VanDerWaalsContact O-CG 3.26Å; V326-K330 WeakPolarHBondContact O-CG 3.3Å; V326-K330 PolarHBondContact O-N 3.44Å
327	A	97.5	Very high	97.2	Very high	15 Å²	15	63.3 Å²	63.3	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-81.5	-39.1	173.8	0	0	0	0	0	112.9	L193 V323 Q324 M325 D329 K330 L331	L193-A327 HydrophobicContact CD1-CB 4.22Å; L193-A327 HydrophobicContact CD2-CB 3.5Å; L193-A327 HydrophobicContact CG-CB 3.43Å; L193-A327 VanDerWaalsContact CG-CB 3.43Å; V323-A327 PolarHBondContact O-N 3.3Å; Q324-A327 PolarHBondContact O-N 3.49Å; M325-A327 PolarHBondContact O-N 2.69Å; A327-D329 VanDerWaalsContact C-N 3.34Å; A327-K330 PolarHBondContact O-N 3.34Å; A327-L331 PolarHBondContact O-N 3.33Å; A327-L331 VanDerWaalsContact O-N 3.09Å
328	A	98.1	Very high	97.1	Very high	12 Å²	12	65.3 Å²	65.3	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-43.6	172	0	0	0	0	0	111	P191 L306 Q324 M325 K330 L331 A332	P191-A328 WeakPolarHBondContact O-CB 3.43Å; L306-A328 HydrophobicContact CD2-CB 3.42Å; L306-A328 VanDerWaalsContact CD2-CB 3.42Å; Q324-A328 PolarHBondContact O-N 3Å; Q324-A328 VanDerWaalsContact O-N 3.14Å; M325-A328 WeakPolarHBondContact O-CA 3.35Å; M325-A328 WeakPolarHBondContact O-CB 3.48Å; M325-A328 PolarHBondContact O-N 2.78Å; A328-K330 VanDerWaalsContact C-N 3.3Å; A328-K330 PolarHBondContact O-N 2.97Å; A328-L331 PolarHBondContact O-N 2.92Å; A328-L331 VanDerWaalsContact O-N 3.15Å; A328-A332 PolarHBondContact O-N 3.21Å
329	D	97.8	Very high	97.1	Very high	60 Å²	60	64.6 Å²	64.6	32%	0.321	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-38.2	176.6	-60.6	-33.1	0	0	0	111.7	M325 A327 A332 Q333	M325-D329 PolarHBondContact O-N 3.3Å; A327-D329 VanDerWaalsContact C-N 3.34Å; D329-A332 PolarHBondContact O-N 3.36Å; D329-Q333 WeakPolarHBondContact O-CB 3.39Å; D329-Q333 WeakPolarHBondContact O-CG 3.39Å; D329-Q333 PolarHBondContact O-N 2.81Å
330	K	97.5	Very high	97.1	Very high	115 Å²	115	59.6 Å²	59.6	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-36.4	175.3	-77.1	170.2	-176.7	176	0	113.3	V326 A327 A328 Q333 C334	V326-K330 WeakPolarHBondContact O-CD 3.49Å; V326-K330 VanDerWaalsContact O-CG 3.26Å; V326-K330 WeakPolarHBondContact O-CG 3.3Å; V326-K330 PolarHBondContact O-N 3.44Å; A327-K330 PolarHBondContact O-N 3.34Å; A328-K330 VanDerWaalsContact C-N 3.3Å; A328-K330 PolarHBondContact O-N 2.97Å; K330-Q333 PolarHBondContact O-N 3.41Å; K330-C334 PolarHBondContact O-N 2.93Å; K330-C334 PolarHBondContact O-SG 3.41Å
331	L	97.9	Very high	97.1	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-69.1	-38.3	172.6	-77.1	169.9	0	0	0	111.4	V189 G190 Y297 A327 A328 Q333 C334 F339	V189-L331 HydrophobicContact CG2-CD2 4.29Å; G190-L331 VanDerWaalsContact CA-CD1 3.49Å; Y297-L331 HydrophobicContact CD2-CD1 4.45Å; Y297-L331 HydrophobicContact CE1-CB 4.5Å; Y297-L331 HydrophobicContact CE2-CB 3.74Å; Y297-L331 HydrophobicContact CE2-CD1 4.01Å; Y297-L331 HydrophobicContact CE2-CG 4.35Å; A327-L331 PolarHBondContact O-N 3.33Å; A327-L331 VanDerWaalsContact O-N 3.09Å; A328-L331 PolarHBondContact O-N 2.92Å; A328-L331 VanDerWaalsContact O-N 3.15Å; L331-Q333 VanDerWaalsContact C-N 3.28Å; L331-Q333 PolarHBondContact O-N 2.72Å; L331-C334 VanDerWaalsContact O-CB 3.27Å; L331-C334 WeakPolarHBondContact O-CB 3.17Å; L331-C334 PolarHBondContact O-N 3.01Å; L331-C334 VanDerWaalsContact O-N 3.14Å; L331-F339 HydrophobicContact CD2-CE1 4.2Å; L331-F339 HydrophobicContact CD2-CZ 4.17Å
332	A	96.5	Very high	97.1	Very high	74 Å²	74	58.1 Å²	58.1	61%	0.612	32%	0.322	S	S	*	.	H	α-helix	trans	-68.5	-24.7	174.1	0	0	0	0	0	113.4	Y297 A328 D329 C334	Y297-A332 PolarHBondContact OH-N 2.9Å; A328-A332 PolarHBondContact O-N 3.21Å; D329-A332 PolarHBondContact O-N 3.36Å; A332-C334 VanDerWaalsContact C-N 3.31Å
333	Q	96.5	Very high	97.2	Very high	149 Å²	149	52.2 Å²	52.2	70%	0.696	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5.2	172.1	-73.5	164.7	24	0	0	113.7	D329 K330 L331 P335	D329-Q333 WeakPolarHBondContact O-CB 3.39Å; D329-Q333 WeakPolarHBondContact O-CG 3.39Å; D329-Q333 PolarHBondContact O-N 2.81Å; K330-Q333 PolarHBondContact O-N 3.41Å; L331-Q333 VanDerWaalsContact C-N 3.28Å; L331-Q333 PolarHBondContact O-N 2.72Å; Q333-P335 WeakPolarHBondContact O-CD 2.93Å
334	C	97.1	Very high	97.1	Very high	16 Å²	16	52.5 Å²	52.5	11%	0.108	29%	0.29	C	S	.	.	S	Bend	trans	-76.1	129	176.3	-72.2	0	0	0	0	110.8	H282 K330 L331 A332 M338 F339	H282-C334 PolarHBondContact CE1-SG 2.86Å; H282-C334 PolarHBondContact NE2-SG 2.62Å; K330-C334 PolarHBondContact O-N 2.93Å; K330-C334 PolarHBondContact O-SG 3.41Å; L331-C334 VanDerWaalsContact O-CB 3.27Å; L331-C334 WeakPolarHBondContact O-CB 3.17Å; L331-C334 PolarHBondContact O-N 3.01Å; L331-C334 VanDerWaalsContact O-N 3.14Å; A332-C334 VanDerWaalsContact C-N 3.31Å; C334-M338 HydrophobicContact CB-CE 3.65Å; C334-F339 HydrophobicContact CB-CE2 3.51Å; C334-F339 HydrophobicContact CB-CZ 3.49Å; C334-F339 VanDerWaalsContact CB-CZ 3.49Å
335	P	96.6	Very high	97.1	Very high	63 Å²	63	55.2 Å²	55.2	41%	0.409	30%	0.302	S	S	.	.			trans	-46.5	140.3	163.3	-7.1	-5.8	0	0	0	112.8	Q333 E337 M338	Q333-P335 WeakPolarHBondContact O-CD 2.93Å; P335-E337 WeakPolarHBondContact CB-OE1 3.38Å; P335-E337 WeakPolarHBondContact CB-OE2 3.38Å; P335-E337 PolarHBondContact O-N 3.39Å; P335-M338 HydrophobicContact CG-CE 4.08Å; P335-M338 PolarHBondContact O-N 2.87Å; P335-M338 VanDerWaalsContact O-N 3.11Å
336	S	94.1	Very high	96.9	Very high	79 Å²	79	60.4 Å²	60.4	55%	0.552	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.6	-29.2	-176.4	44.6	0	0	0	0	112.6	M338 F339	S336-M338 PolarHBondContact O-N 3.49Å; S336-M338 VanDerWaalsContact O-N 3.12Å; S336-F339 PolarHBondContact O-N 2.9Å
337	E	93	Very high	96.9	Very high	154 Å²	154	61.7 Å²	61.7	72%	0.72	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-70.2	-0.3	176.2	75.9	-79.8	-174.4	0	0	114.7	P335	P335-E337 WeakPolarHBondContact CB-OE1 3.38Å; P335-E337 WeakPolarHBondContact CB-OE2 3.38Å; P335-E337 PolarHBondContact O-N 3.39Å
338	M	94.7	Very high	96.8	Very high	62 Å²	62	64.6 Å²	64.6	31%	0.305	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-88.4	-1.7	165.7	-71.1	-156.2	-68.3	0	0	114	P283 C334 P335 S336	P283-M338 HydrophobicContact CB-CB 4.16Å; P283-M338 WeakPolarHBondContact CB-O 3.2Å; P283-M338 HydrophobicContact CG-CB 3.88Å; P283-M338 HydrophobicContact CG-CE 4.34Å; P283-M338 HydrophobicContact CG-SD 4.35Å; C334-M338 HydrophobicContact CB-CE 3.65Å; P335-M338 HydrophobicContact CG-CE 4.08Å; P335-M338 PolarHBondContact O-N 2.87Å; P335-M338 VanDerWaalsContact O-N 3.11Å; S336-M338 PolarHBondContact O-N 3.49Å; S336-M338 VanDerWaalsContact O-N 3.12Å
339	F	97.6	Very high	96.8	Very high	19 Å²	19	69.8 Å²	69.8	8%	0.083	37%	0.367	C	S	.	.			trans	-120.8	144.7	178.6	-52.7	-67.9	0	0	0	110.5	V189 P283 I295 Y297 L331 C334 S336 I342	V189-F339 HydrophobicContact CG2-CE1 4.12Å; P283-F339 HydrophobicContact CG-CD1 4.26Å; P283-F339 HydrophobicContact CG-CE1 3.72Å; P283-F339 HydrophobicContact CG-CZ 4.21Å; I295-F339 HydrophobicContact CG2-CD1 3.76Å; I295-F339 HydrophobicContact CG2-CE1 4.38Å; Y297-F339 HydrophobicContact CD1-CD1 4.35Å; Y297-F339 AromaticContact CD1-CD2 3.98Å; Y297-F339 HydrophobicContact CD1-CD2 3.98Å; Y297-F339 HydrophobicContact CD1-CE1 4.02Å; Y297-F339 AromaticContact CD1-CE2 3.64Å; Y297-F339 HydrophobicContact CD1-CE2 3.64Å; Y297-F339 HydrophobicContact CD1-CG 4.31Å; Y297-F339 AromaticContact CD1-CZ 3.65Å; Y297-F339 HydrophobicContact CD1-CZ 3.65Å; Y297-F339 HydrophobicContact CE1-CE2 4.14Å; Y297-F339 HydrophobicContact CE1-CZ 4.15Å; Y297-F339 HydrophobicContact CG-CD1 4.19Å; Y297-F339 AromaticContact CG-CE1 3.91Å; Y297-F339 HydrophobicContact CG-CE1 3.91Å; Y297-F339 HydrophobicContact CG-CE2 4.35Å; Y297-F339 AromaticContact CG-CZ 3.99Å; Y297-F339 HydrophobicContact CG-CZ 3.99Å; L331-F339 HydrophobicContact CD2-CE1 4.2Å; L331-F339 HydrophobicContact CD2-CZ 4.17Å; C334-F339 HydrophobicContact CB-CE2 3.51Å; C334-F339 HydrophobicContact CB-CZ 3.49Å; C334-F339 VanDerWaalsContact CB-CZ 3.49Å; S336-F339 PolarHBondContact O-N 2.9Å; F339-I342 HydrophobicContact CB-CD1 4.37Å; F339-I342 HydrophobicContact CB-CG1 3.88Å; F339-I342 HydrophobicContact CD2-CD1 4.07Å; F339-I342 HydrophobicContact CD2-CG1 4.23Å; F339-I342 HydrophobicContact CG-CG1 4.31Å
340	D	97.8	Very high	96.8	Very high	46 Å²	46	70.6 Å²	70.6	25%	0.246	37%	0.371	C	S	.	.	S	Bend	trans	-90.9	-34	174.9	-71.1	-90.9	0	0	0	111.9	R184 I294 I295 Y358	R184-D340 IonicContact CZ-OD1 2.64Å; R184-D340 IonicContact CZ-OD2 2.72Å; R184-D340 IonicContact NH1-OD1 3.7Å; R184-D340 PolarHBondContact NH1-OD1 2.9Å; R184-D340 IonicContact NH2-OD1 3.25Å; R184-D340 PolarHBondContact NH2-OD1 3.2Å; R184-D340 IonicContact NH2-OD2 3Å; R184-D340 PolarHBondContact NH2-OD2 3.19Å; I294-D340 WeakPolarHBondContact CA-OD2 3.22Å; I294-D340 HydrophobicContact CB-CB 4.49Å; I294-D340 HydrophobicContact CG2-CB 3.81Å; I295-D340 PolarHBondContact N-OD2 2.98Å; I295-D340 PolarHBondContact O-N 2.75Å; D340-Y358 VanDerWaalsContact O-CE2 3.29Å; D340-Y358 WeakPolarHBondContact O-CE2 3.33Å
341	I	98.3	Very high	96.8	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.8	175.1	-44.9	-178.5	0	0	0	107.6	I294 I295 V296 Y297 L343 M355 Y358	I294-I341 HydrophobicContact CG2-CD1 4.48Å; I294-I341 HydrophobicContact CG2-CG1 4.5Å; I295-I341 PolarHBondContact O-N 3.16Å; V296-I341 HydrophobicContact CG1-CB 4.26Å; V296-I341 HydrophobicContact CG2-CB 4.32Å; V296-I341 HydrophobicContact CG2-CD1 3.92Å; V296-I341 HydrophobicContact CG2-CG1 4.27Å; Y297-I341 PolarHBondContact N-O 2.84Å; I341-L343 HydrophobicContact CG2-CD2 3.66Å; I341-L343 HydrophobicContact CG2-CG 4.09Å; I341-M355 HydrophobicContact CD1-CG 4.34Å; I341-Y358 HydrophobicContact CD1-CD1 3.5Å; I341-Y358 HydrophobicContact CD1-CD2 4.19Å; I341-Y358 HydrophobicContact CD1-CE1 4.18Å; I341-Y358 HydrophobicContact CD1-CG 3.53Å; I341-Y358 HydrophobicContact CG1-CD1 3.83Å; I341-Y358 HydrophobicContact CG1-CD2 3.81Å; I341-Y358 HydrophobicContact CG1-CE1 4.12Å; I341-Y358 HydrophobicContact CG1-CE2 4.07Å; I341-Y358 HydrophobicContact CG1-CG 3.69Å
342	I	98.4	Very high	96.8	Very high	51 Å²	51	65.7 Å²	65.7	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.1	168.6	-57.8	176.9	0	0	0	106.6	Y297 K299 F339 H354	Y297-I342 HydrophobicContact CD1-CG1 4.4Å; Y297-I342 HydrophobicContact CD1-CG2 4.14Å; K299-I342 HydrophobicContact CB-CG2 4.09Å; K299-I342 HydrophobicContact CD-CG2 3.7Å; F339-I342 HydrophobicContact CB-CD1 4.37Å; F339-I342 HydrophobicContact CB-CG1 3.88Å; F339-I342 HydrophobicContact CD2-CD1 4.07Å; F339-I342 HydrophobicContact CD2-CG1 4.23Å; F339-I342 HydrophobicContact CG-CG1 4.31Å; I342-H354 PolarHBondContact O-CE1 2.64Å; I342-H354 VanDerWaalsContact O-CE1 3.25Å
343	L	98.3	Very high	96.9	Very high	5 Å²	5	68.4 Å²	68.4	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	102.9	177.4	-58.8	178.8	0	0	0	107.8	L206 V296 Y297 K299 I341 E345 A351 H354 M355	L206-L343 HydrophobicContact CD1-CD1 4.3Å; L206-L343 HydrophobicContact CD2-CD1 4.43Å; V296-L343 HydrophobicContact CG1-CD1 3.65Å; V296-L343 HydrophobicContact CG1-CG 4.03Å; Y297-L343 PolarHBondContact O-N 2.97Å; K299-L343 PolarHBondContact N-O 3.41Å; I341-L343 HydrophobicContact CG2-CD2 3.66Å; I341-L343 HydrophobicContact CG2-CG 4.09Å; L343-E345 VanDerWaalsContact C-OE2 3.24Å; L343-E345 WeakPolarHBondContact CA-OE2 3.21Å; L343-E345 WeakPolarHBondContact CB-OE2 3.37Å; L343-A351 HydrophobicContact CB-CB 4.38Å; L343-A351 HydrophobicContact CD1-CB 4.43Å; L343-A351 WeakPolarHBondContact CD2-O 3.3Å; L343-H354 HydrophobicContact CD2-CB 4.11Å; L343-M355 HydrophobicContact CD1-CB 4.21Å; L343-M355 HydrophobicContact CD1-SD 4.28Å; L343-M355 HydrophobicContact CD2-CB 4.23Å
344	D	97.1	Very high	97	Very high	74 Å²	74	65.2 Å²	65.2	40%	0.396	34%	0.337	S	S	.	.			trans	-121.5	16.7	177.6	77.1	-6.2	0	0	0	114.7	K299	K299-D344 HydrophobicContact CB-CB 3.98Å; K299-D344 HydrophobicContact CD-CB 3.8Å; K299-D344 WeakPolarHBondContact CE-OD2 3.36Å; K299-D344 HydrophobicContact CG-CB 3.96Å; K299-D344 IonicContact NZ-OD2 3.88Å; K299-D344 PolarHBondContact NZ-OD2 3.5Å; K299-D344 WeakPolarHBondContact O-CA 3.29Å
345	E	97.6	Very high	97	Very high	56 Å²	56	64.4 Å²	64.4	26%	0.262	33%	0.332	S	S	.	.			trans	-65.6	157.3	169.1	-46.8	74	-162.6	0	0	110.9	L343 D350 A351 H354	L343-E345 VanDerWaalsContact C-OE2 3.24Å; L343-E345 WeakPolarHBondContact CA-OE2 3.21Å; L343-E345 WeakPolarHBondContact CB-OE2 3.37Å; E345-D350 HydrophobicContact CB-CB 3.79Å; E345-D350 HydrophobicContact CG-CB 3.87Å; E345-A351 HydrophobicContact CB-CB 4.23Å; E345-A351 WeakPolarHBondContact OE2-CA 3.22Å; E345-A351 WeakPolarHBondContact OE2-CB 3.42Å; E345-H354 IonicContact OE1-CE1 3.94Å; E345-H354 IonicContact OE1-CG 2.69Å; E345-H354 IonicContact OE1-ND1 3.55Å; E345-H354 PolarHBondContact OE1-ND1 3.45Å
346	N	95.1	Very high	97.1	Very high	137 Å²	137	61.5 Å²	61.5	73%	0.733	31%	0.313	S	S	*	.	S	Bend	trans	-106.6	-14.3	-176.1	64.7	70.7	0	0	0	114.5
347	Q	97.1	Very high	97.3	Very high	101 Å²	101	62.4 Å²	62.4	47%	0.472	31%	0.312	S	S	.	.	S	Bend	trans	-95.7	155.2	166.3	-54.5	-51.8	-63.3	0	0	110.1	E349	Q347-E349 VanDerWaalsContact C-N 3.32Å
348	L	95.8	Very high	97.5	Very high	77 Å²	77	58.6 Å²	58.6	40%	0.403	29%	0.291	S	S	.	.	H	α-helix	trans	-71.7	-35.8	177.1	175.1	62.8	0	0	0	110.5	A205 L206 C352	A205-L348 HydrophobicContact CB-CD1 3.9Å; A205-L348 HydrophobicContact CB-CD2 3.97Å; L206-L348 HydrophobicContact CD2-CD1 3.98Å; L206-L348 HydrophobicContact CG-CD1 4.49Å; L348-C352 VanDerWaalsContact O-CB 3.24Å; L348-C352 WeakPolarHBondContact O-CB 3.24Å; L348-C352 PolarHBondContact O-N 2.94Å; L348-C352 PolarHBondContact O-SG 2.79Å
349	E	97.3	Very high	97.7	Very high	121 Å²	121	55.7 Å²	55.7	57%	0.565	28%	0.277	S	S	*	.	H	α-helix	trans	-62.4	-53.2	-175.8	-67.2	65.3	-151	0	0	110.7	Q347 A351 C352 E353	Q347-E349 VanDerWaalsContact C-N 3.32Å; E349-A351 PolarHBondContact O-N 3.49Å; E349-C352 WeakPolarHBondContact O-CB 3.39Å; E349-C352 PolarHBondContact O-N 2.89Å; E349-C352 VanDerWaalsContact O-N 3.13Å; E349-E353 PolarHBondContact O-N 2.9Å
350	D	98.3	Very high	97.7	Very high	77 Å²	77	56 Å²	56	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-47.6	177.9	-51	-18.1	0	0	0	111.7	E345 C352 E353 H354	E345-D350 HydrophobicContact CB-CB 3.79Å; E345-D350 HydrophobicContact CG-CB 3.87Å; D350-C352 VanDerWaalsContact C-N 3.28Å; D350-C352 PolarHBondContact O-N 3.44Å; D350-E353 PolarHBondContact O-N 2.67Å; D350-H354 PolarHBondContact O-N 3.47Å
351	A	98.2	Very high	97.7	Very high	11 Å²	11	55.6 Å²	55.6	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-33.4	177.9	0	0	0	0	0	112.4	L343 E345 E349 M355	L343-A351 HydrophobicContact CB-CB 4.38Å; L343-A351 HydrophobicContact CD1-CB 4.43Å; L343-A351 WeakPolarHBondContact CD2-O 3.3Å; E345-A351 HydrophobicContact CB-CB 4.23Å; E345-A351 WeakPolarHBondContact OE2-CA 3.22Å; E345-A351 WeakPolarHBondContact OE2-CB 3.42Å; E349-A351 PolarHBondContact O-N 3.49Å; A351-M355 VanDerWaalsContact O-CB 3.27Å; A351-M355 WeakPolarHBondContact O-CB 3.43Å; A351-M355 PolarHBondContact O-N 2.87Å; A351-M355 VanDerWaalsContact O-N 3.16Å
352	C	98.3	Very high	97.6	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.027	29%	0.285	C	S	.	.	H	α-helix	trans	-71.9	-38.6	175.1	-76.7	0	0	0	0	111.9	F209 L348 E349 D350 A356	F209-C352 HydrophobicContact CD1-CB 3.61Å; F209-C352 HydrophobicContact CD2-CB 3.81Å; F209-C352 HydrophobicContact CE1-CB 3.56Å; F209-C352 WeakPolarHBondContact CE1-O 3.4Å; F209-C352 HydrophobicContact CE2-CB 3.76Å; F209-C352 HydrophobicContact CG-CB 3.73Å; F209-C352 WeakPolarHBondContact CG-SG 3.42Å; F209-C352 HydrophobicContact CZ-CB 3.62Å; F209-C352 WeakPolarHBondContact CZ-O 3.41Å; L348-C352 VanDerWaalsContact O-CB 3.24Å; L348-C352 WeakPolarHBondContact O-CB 3.24Å; L348-C352 PolarHBondContact O-N 2.94Å; L348-C352 PolarHBondContact O-SG 2.79Å; E349-C352 WeakPolarHBondContact O-CB 3.39Å; E349-C352 PolarHBondContact O-N 2.89Å; E349-C352 VanDerWaalsContact O-N 3.13Å; D350-C352 VanDerWaalsContact C-N 3.28Å; D350-C352 PolarHBondContact O-N 3.44Å; C352-A356 VanDerWaalsContact O-CB 3.25Å; C352-A356 WeakPolarHBondContact O-CB 3.34Å; C352-A356 PolarHBondContact O-N 3.19Å
353	E	97.9	Very high	97.6	Very high	131 Å²	131	56.2 Å²	56.2	61%	0.612	28%	0.281	S	S	*	.	H	α-helix	trans	-66.7	-50.4	176.1	-173.6	160.8	-126.3	0	0	111.4	E349 D350 M355 A356 D357	E349-E353 PolarHBondContact O-N 2.9Å; D350-E353 PolarHBondContact O-N 2.67Å; E353-M355 VanDerWaalsContact C-N 3.33Å; E353-M355 PolarHBondContact O-N 3.15Å; E353-A356 PolarHBondContact O-N 3.1Å; E353-D357 PolarHBondContact O-N 3.18Å
354	H	98.4	Very high	97.4	Very high	81 Å²	81	61.9 Å²	61.9	38%	0.375	30%	0.302	S	S	.	.	H	α-helix	trans	-55.3	-46.4	175.4	178.6	-170.9	0	0	0	111.9	I342 L343 E345 D350 A356 Y358	I342-H354 PolarHBondContact O-CE1 2.64Å; I342-H354 VanDerWaalsContact O-CE1 3.25Å; L343-H354 HydrophobicContact CD2-CB 4.11Å; E345-H354 IonicContact OE1-CE1 3.94Å; E345-H354 IonicContact OE1-CG 2.69Å; E345-H354 IonicContact OE1-ND1 3.55Å; E345-H354 PolarHBondContact OE1-ND1 3.45Å; D350-H354 PolarHBondContact O-N 3.47Å; H354-A356 PolarHBondContact O-N 2.79Å; H354-Y358 PolarHBondContact O-N 2.97Å
355	M	97.8	Very high	97.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-37	175.8	-175.3	176.2	52.6	0	0	112.7	L206 F209 L210 V296 I341 L343 A351 E353 L359	L206-M355 HydrophobicContact CB-CE 4.04Å; L206-M355 HydrophobicContact CD2-CE 3.81Å; L206-M355 HydrophobicContact CG-CE 4.46Å; F209-M355 HydrophobicContact CD1-CE 4.08Å; F209-M355 HydrophobicContact CE1-CE 4.48Å; L210-M355 HydrophobicContact CD1-CE 3.93Å; L210-M355 HydrophobicContact CD1-SD 3.87Å; L210-M355 HydrophobicContact CD2-CE 3.75Å; L210-M355 HydrophobicContact CD2-CG 4.34Å; L210-M355 HydrophobicContact CD2-SD 4.18Å; L210-M355 HydrophobicContact CG-CE 3.63Å; L210-M355 HydrophobicContact CG-SD 4.19Å; V296-M355 HydrophobicContact CG1-SD 4.33Å; I341-M355 HydrophobicContact CD1-CG 4.34Å; L343-M355 HydrophobicContact CD1-CB 4.21Å; L343-M355 HydrophobicContact CD1-SD 4.28Å; L343-M355 HydrophobicContact CD2-CB 4.23Å; A351-M355 VanDerWaalsContact O-CB 3.27Å; A351-M355 WeakPolarHBondContact O-CB 3.43Å; A351-M355 PolarHBondContact O-N 2.87Å; A351-M355 VanDerWaalsContact O-N 3.16Å; E353-M355 VanDerWaalsContact C-N 3.33Å; E353-M355 PolarHBondContact O-N 3.15Å; M355-L359 HydrophobicContact CG-CD1 4.11Å; M355-L359 WeakPolarHBondContact O-CB 3.22Å; M355-L359 VanDerWaalsContact O-CG 3.26Å; M355-L359 WeakPolarHBondContact O-CG 3.49Å; M355-L359 PolarHBondContact O-N 3.39Å
356	A	98	Very high	97.3	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-69	-43	178.3	0	0	0	0	0	112.2	F209 R213 F214 C352 E353 H354 L359 E360	F209-A356 HydrophobicContact CE1-CB 4.06Å; F209-A356 HydrophobicContact CZ-CB 4.05Å; R213-A356 HydrophobicContact CG-CB 4.18Å; F214-A356 HydrophobicContact CE2-CB 4.14Å; F214-A356 HydrophobicContact CZ-CB 4.12Å; C352-A356 VanDerWaalsContact O-CB 3.25Å; C352-A356 WeakPolarHBondContact O-CB 3.34Å; C352-A356 PolarHBondContact O-N 3.19Å; E353-A356 PolarHBondContact O-N 3.1Å; H354-A356 PolarHBondContact O-N 2.79Å; A356-L359 PolarHBondContact O-N 2.75Å; A356-E360 WeakPolarHBondContact O-CB 3.34Å; A356-E360 PolarHBondContact O-N 3.42Å
357	D	98.3	Very high	97.2	Very high	97 Å²	97	52.5 Å²	52.5	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-41.1	-179.1	-90	2.5	0	0	0	112.1	E353 L359 E360 A361	E353-D357 PolarHBondContact O-N 3.18Å; D357-L359 VanDerWaalsContact C-N 3.34Å; D357-L359 PolarHBondContact O-N 3.27Å; D357-E360 PolarHBondContact O-N 3.37Å; D357-A361 WeakPolarHBondContact O-CB 3.22Å; D357-A361 PolarHBondContact O-N 3.15Å
358	Y	98.4	Very high	96.7	Very high	74 Å²	74	49.7 Å²	49.7	29%	0.29	24%	0.244	S	C	.	.	H	α-helix	trans	-58.9	-46.1	171.3	-175.2	-76.5	0	0	0	111.4	I294 D340 I341 H354 E360 A361 Y362	I294-Y358 HydrophobicContact CD1-CE1 4.36Å; I294-Y358 HydrophobicContact CG2-CE1 4.16Å; D340-Y358 VanDerWaalsContact O-CE2 3.29Å; D340-Y358 WeakPolarHBondContact O-CE2 3.33Å; I341-Y358 HydrophobicContact CD1-CD1 3.5Å; I341-Y358 HydrophobicContact CD1-CD2 4.19Å; I341-Y358 HydrophobicContact CD1-CE1 4.18Å; I341-Y358 HydrophobicContact CD1-CG 3.53Å; I341-Y358 HydrophobicContact CG1-CD1 3.83Å; I341-Y358 HydrophobicContact CG1-CD2 3.81Å; I341-Y358 HydrophobicContact CG1-CE1 4.12Å; I341-Y358 HydrophobicContact CG1-CE2 4.07Å; I341-Y358 HydrophobicContact CG1-CG 3.69Å; H354-Y358 PolarHBondContact O-N 2.97Å; Y358-E360 PolarHBondContact O-N 2.86Å; Y358-A361 PolarHBondContact O-N 3.4Å; Y358-Y362 WeakPolarHBondContact O-CB 3.34Å; Y358-Y362 PolarHBondContact O-N 3.39Å
359	L	98.1	Very high	95.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-29.3	-178.4	-69.8	174	0	0	0	112.9	V186 L210 F214 I294 M355 A356 D357 W363	V186-L359 HydrophobicContact CG2-CD2 3.77Å; L210-L359 HydrophobicContact CD2-CD1 3.6Å; F214-L359 HydrophobicContact CE1-CB 4.39Å; F214-L359 HydrophobicContact CE2-CB 4.34Å; F214-L359 HydrophobicContact CE2-CD1 4.35Å; F214-L359 HydrophobicContact CZ-CB 3.85Å; I294-L359 HydrophobicContact CD1-CD2 4.32Å; M355-L359 HydrophobicContact CG-CD1 4.11Å; M355-L359 WeakPolarHBondContact O-CB 3.22Å; M355-L359 VanDerWaalsContact O-CG 3.26Å; M355-L359 WeakPolarHBondContact O-CG 3.49Å; M355-L359 PolarHBondContact O-N 3.39Å; A356-L359 PolarHBondContact O-N 2.75Å; D357-L359 VanDerWaalsContact C-N 3.34Å; D357-L359 PolarHBondContact O-N 3.27Å; L359-W363 WeakPolarHBondContact O-CB 3.36Å; L359-W363 PolarHBondContact O-N 3.28Å
360	E	97.4	Very high	93.5	Very high	26 Å²	26	49.4 Å²	49.4	12%	0.121	27%	0.265	C	S	.	.	H	α-helix	trans	-74.2	-36.9	172.9	-160.8	69.7	-110.8	0	0	111.4	R213 R217 A356 D357 Y358 W363 R364	R213-E360 IonicContact NH1-OE2 2.61Å; R217-E360 IonicContact CZ-OE1 3.76Å; R217-E360 IonicContact CZ-OE2 2.75Å; R217-E360 IonicContact NH1-OE1 3.55Å; R217-E360 PolarHBondContact NH1-OE1 2.74Å; R217-E360 IonicContact NH1-OE2 3.6Å; R217-E360 IonicContact NH2-OE1 3.73Å; R217-E360 PolarHBondContact NH2-OE1 3.24Å; R217-E360 IonicContact NH2-OE2 3.01Å; R217-E360 PolarHBondContact NH2-OE2 2.82Å; A356-E360 WeakPolarHBondContact O-CB 3.34Å; A356-E360 PolarHBondContact O-N 3.42Å; D357-E360 PolarHBondContact O-N 3.37Å; Y358-E360 PolarHBondContact O-N 2.86Å; E360-W363 WeakPolarHBondContact O-CB 3.44Å; E360-W363 PolarHBondContact O-N 3.38Å; E360-R364 WeakPolarHBondContact O-CG 3.43Å; E360-R364 PolarHBondContact O-N 2.7Å
361	A	96.8	Very high	91.1	Very high	37 Å²	37	49.4 Å²	49.4	31%	0.306	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-37.6	170.2	0	0	0	0	0	112.2	D357 Y358 R364 S365	D357-A361 WeakPolarHBondContact O-CB 3.22Å; D357-A361 PolarHBondContact O-N 3.15Å; Y358-A361 PolarHBondContact O-N 3.4Å; A361-R364 PolarHBondContact O-N 2.71Å; A361-S365 WeakPolarHBondContact O-CB 3.13Å; A361-S365 PolarHBondContact O-N 2.85Å; A361-S365 PolarHBondContact O-OG 2.88Å
362	Y	97.8	Very high	88.2	Confident	24 Å²	24	52.9 Å²	52.9	9%	0.094	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-37.5	171.2	-177.7	-117.1	0	0	0	111.9	V104 M183 R184 L272 I294 Y358 S365 T366	V104-Y362 HydrophobicContact CG1-CE2 4.25Å; M183-Y362 HydrophobicContact CE-CD1 4.32Å; M183-Y362 HydrophobicContact CE-CE1 3.77Å; M183-Y362 HydrophobicContact SD-CE1 4.42Å; R184-Y362 WeakPolarHBondContact CG-OH 3.32Å; R184-Y362 PolarHBondContact N-OH 3.4Å; L272-Y362 HydrophobicContact CD2-CD1 4.14Å; I294-Y362 HydrophobicContact CD1-CD1 3.66Å; I294-Y362 HydrophobicContact CD1-CD2 4.43Å; I294-Y362 HydrophobicContact CD1-CE1 3.72Å; I294-Y362 HydrophobicContact CD1-CG 4.05Å; Y358-Y362 WeakPolarHBondContact O-CB 3.34Å; Y358-Y362 PolarHBondContact O-N 3.39Å; Y362-S365 PolarHBondContact O-N 2.94Å; Y362-T366 HydrophobicContact CD2-CG2 4.24Å; Y362-T366 HydrophobicContact CE1-CG2 4.14Å; Y362-T366 HydrophobicContact CE2-CG2 3.67Å; Y362-T366 WeakPolarHBondContact O-CB 3.14Å; Y362-T366 WeakPolarHBondContact O-CG2 3.49Å; Y362-T366 PolarHBondContact O-N 3.22Å; Y362-T366 PolarHBondContact O-OG1 2.77Å
363	W	96.8	Very high	85.4	Confident	44 Å²	44	58 Å²	58	17%	0.167	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-48	173.2	-173.7	-94	0	0	0	111.7	M183 R217 L270 L272 L359 E360 S365 T366 H367	M183-W363 HydrophobicContact CE-CE3 4.31Å; M183-W363 HydrophobicContact CE-CZ3 4.47Å; R217-W363 HydrophobicContact CB-CH2 3.93Å; R217-W363 HydrophobicContact CB-CZ2 4.41Å; R217-W363 HydrophobicContact CB-CZ3 4.08Å; R217-W363 HydrophobicContact CG-CH2 4.06Å; R217-W363 HydrophobicContact CG-CZ2 4.1Å; R217-W363 VanDerWaalsContact NH1-CD1 3.34Å; L270-W363 WeakPolarHBondContact O-CZ3 3.24Å; L272-W363 HydrophobicContact CD1-CE3 4.36Å; L272-W363 HydrophobicContact CD2-CE3 4.19Å; L272-W363 HydrophobicContact CG-CE3 3.84Å; L272-W363 HydrophobicContact CG-CZ3 4.08Å; L359-W363 WeakPolarHBondContact O-CB 3.36Å; L359-W363 PolarHBondContact O-N 3.28Å; E360-W363 WeakPolarHBondContact O-CB 3.44Å; E360-W363 PolarHBondContact O-N 3.38Å; W363-S365 PolarHBondContact O-N 3.29Å; W363-T366 WeakPolarHBondContact CA-OG1 3.41Å; W363-T366 PolarHBondContact O-N 2.68Å; W363-T366 PolarHBondContact O-OG1 2.97Å; W363-H367 AromaticContact CD2-CE1 3.68Å; W363-H367 AromaticContact CD2-ND1 3.58Å; W363-H367 AromaticContact CE2-CE1 3.64Å; W363-H367 AromaticContact CE2-CG 3.97Å; W363-H367 AromaticContact CE2-ND1 3.59Å; W363-H367 AromaticContact CE3-CE1 3.6Å; W363-H367 AromaticContact CE3-ND1 3.92Å; W363-H367 AromaticContact CG-ND1 3.97Å; W363-H367 AromaticContact CH2-CE1 3.48Å; W363-H367 VanDerWaalsContact CH2-CE1 3.48Å; W363-H367 WeakPolarHBondContact CH2-CE1 3.4Å; W363-H367 AromaticContact CH2-NE2 3.64Å; W363-H367 AromaticContact CZ2-CE1 3.56Å; W363-H367 AromaticContact CZ2-ND1 3.94Å; W363-H367 AromaticContact CZ2-NE2 3.61Å; W363-H367 AromaticContact CZ3-CE1 3.51Å; W363-H367 AromaticContact NE1-ND1 3.96Å; W363-H367 WeakPolarHBondContact O-CB 3.39Å; W363-H367 PolarHBondContact O-N 3.04Å; W363-H367 PolarHBondContact O-ND1 2.9Å
364	R	95.6	Very high	82.6	Confident	125 Å²	125	57.8 Å²	57.8	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-41.3	173.8	-65.4	171.3	-158.1	158.1	7.2	112.4	E106 E360 A361 T366 H367	E106-R364 WeakPolarHBondContact OE1-CD 3.3Å; E360-R364 WeakPolarHBondContact O-CG 3.43Å; E360-R364 PolarHBondContact O-N 2.7Å; A361-R364 PolarHBondContact O-N 2.71Å; R364-T366 PolarHBondContact O-N 2.67Å; R364-H367 CarbonylContact O-C 3.56Å; R364-H367 PolarHBondContact O-N 2.98Å
365	S	95.8	Very high	79.6	Confident	20 Å²	20	59.9 Å²	59.9	14%	0.14	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-25.9	177.5	-65.8	0	0	0	0	113.5	R102 K105 E106 A361 Y362 W363	R102-S365 PolarHBondContact NH1-O 3.31Å; R102-S365 PolarHBondContact NH2-O 3.4Å; K105-S365 PolarHBondContact N-O 2.87Å; E106-S365 PolarHBondContact N-OG 3.26Å; A361-S365 WeakPolarHBondContact O-CB 3.13Å; A361-S365 PolarHBondContact O-N 2.85Å; A361-S365 PolarHBondContact O-OG 2.88Å; Y362-S365 PolarHBondContact O-N 2.94Å; W363-S365 PolarHBondContact O-N 3.29Å
366	T	95.6	Very high	77.1	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.006	39%	0.387	C	S	.	.	H	α-helix	trans	-94.5	-28	177.8	46.5	0	0	0	0	113.5	V104 M183 Y362 W363 R364 P368	V104-T366 HydrophobicContact CG1-CG2 3.46Å; V104-T366 VanDerWaalsContact CG1-CG2 3.46Å; M183-T366 HydrophobicContact CE-CG2 4.08Å; M183-T366 HydrophobicContact SD-CG2 3.55Å; M183-T366 VanDerWaalsContact SD-CG2 3.55Å; Y362-T366 HydrophobicContact CD2-CG2 4.24Å; Y362-T366 HydrophobicContact CE1-CG2 4.14Å; Y362-T366 HydrophobicContact CE2-CG2 3.67Å; Y362-T366 WeakPolarHBondContact O-CB 3.14Å; Y362-T366 WeakPolarHBondContact O-CG2 3.49Å; Y362-T366 PolarHBondContact O-N 3.22Å; Y362-T366 PolarHBondContact O-OG1 2.77Å; W363-T366 WeakPolarHBondContact CA-OG1 3.41Å; W363-T366 PolarHBondContact O-N 2.68Å; W363-T366 PolarHBondContact O-OG1 2.97Å; R364-T366 PolarHBondContact O-N 2.67Å; T366-P368 WeakPolarHBondContact O-CD 3.3Å
367	H	93.8	Very high	74.6	Confident	48 Å²	48	70.3 Å²	70.3	22%	0.222	42%	0.418	C	S	.	.	S	Bend	trans	-112.9	82	-178	-63	80.4	0	0	0	111.7	L270 W363 R364	L270-H367 PolarHBondContact O-CE1 2.59Å; L270-H367 PolarHBondContact O-NE2 3.5Å; W363-H367 AromaticContact CD2-CE1 3.68Å; W363-H367 AromaticContact CD2-ND1 3.58Å; W363-H367 AromaticContact CE2-CE1 3.64Å; W363-H367 AromaticContact CE2-CG 3.97Å; W363-H367 AromaticContact CE2-ND1 3.59Å; W363-H367 AromaticContact CE3-CE1 3.6Å; W363-H367 AromaticContact CE3-ND1 3.92Å; W363-H367 AromaticContact CG-ND1 3.97Å; W363-H367 AromaticContact CH2-CE1 3.48Å; W363-H367 VanDerWaalsContact CH2-CE1 3.48Å; W363-H367 WeakPolarHBondContact CH2-CE1 3.4Å; W363-H367 AromaticContact CH2-NE2 3.64Å; W363-H367 AromaticContact CZ2-CE1 3.56Å; W363-H367 AromaticContact CZ2-ND1 3.94Å; W363-H367 AromaticContact CZ2-NE2 3.61Å; W363-H367 AromaticContact CZ3-CE1 3.51Å; W363-H367 AromaticContact NE1-ND1 3.96Å; W363-H367 WeakPolarHBondContact O-CB 3.39Å; W363-H367 PolarHBondContact O-N 3.04Å; W363-H367 PolarHBondContact O-ND1 2.9Å; R364-H367 CarbonylContact O-C 3.56Å; R364-H367 PolarHBondContact O-N 2.98Å
368	P	85.6	Confident	72.1	Confident	42 Å²	42	73.7 Å²	73.7	27%	0.273	44%	0.435	S	S	.	.			trans	-64.7	137.1	178.9	28.4	-35.5	0	0	0	111.2	T366 G370 S371	T366-P368 WeakPolarHBondContact O-CD 3.3Å; P368-G370 PolarHBondContact O-N 2.89Å; P368-S371 PolarHBondContact O-N 3.09Å; P368-S371 PolarHBondContact O-OG 3.15Å
369	T	70.6	Confident	69.3	Low	133 Å²	133	75.9 Å²	75.9	82%	0.816	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.3	-173.2	48.7	0	0	0	0	115.1	S371 S372	T369-S371 PolarHBondContact O-N 3.41Å; T369-S371 VanDerWaalsContact O-N 3.11Å; T369-S372 PolarHBondContact O-OG 2.87Å
370	G	56.8	Low	66.6	Low	59 Å²	59	83.2 Å²	83.2	61%	0.608	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-69	6.2	171.4	0	0	0	0	0	115.9	P368	P368-G370 PolarHBondContact O-N 2.89Å
371	S	47.9	Very low	63.7	Low	78 Å²	78	89.8 Å²	89.8	55%	0.545	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-100.6	-9.6	177.5	66.3	0	0	0	0	115.3	P368 T369	P368-S371 PolarHBondContact O-N 3.09Å; P368-S371 PolarHBondContact O-OG 3.15Å; T369-S371 PolarHBondContact O-N 3.41Å; T369-S371 VanDerWaalsContact O-N 3.11Å
372	S	35.8	Very low	60.9	Low	84 Å²	84	93.7 Å²	93.7	59%	0.587	55%	0.552	S	S	*	*	S	Bend	trans	-77.9	140.6	168.7	52.9	0	0	0	0	110.6	T369	T369-S372 PolarHBondContact O-OG 2.87Å
373	P	39.7	Very low	58.1	Low	112 Å²	112	98 Å²	98	73%	0.727	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-60	148.8	163.4	29.2	-34.6	0	0	0	109.6	D375	P373-D375 PolarHBondContact O-N 3.27Å
374	P	39.5	Very low	55.3	Low	125 Å²	125	100 Å²	100	81%	0.812	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-63.1	123.2	176.6	26.2	-33.6	0	0	0	110	P376	P374-P376 WeakPolarHBondContact O-CD 3.38Å
375	D	35.5	Very low	52.3	Low	126 Å²	126	98.9 Å²	98.9	67%	0.674	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-67.4	118.3	-176.2	-161.5	-1.2	0	0	0	110.1	P373 V377	P373-D375 PolarHBondContact O-N 3.27Å; D375-V377 PolarHBondContact O-N 3.37Å
376	P	46.2	Very low	49.4	Very low	112 Å²	112	106 Å²	106	73%	0.727	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	12	-165.9	28.8	-37.5	0	0	0	115.3	P374	P374-P376 WeakPolarHBondContact O-CD 3.38Å
377	V	45.1	Very low	46.6	Very low	109 Å²	109	111.8 Å²	111.8	66%	0.661	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-20.4	-170.1	-165.9	0	0	0	0	112.9	D375 T379	D375-V377 PolarHBondContact O-N 3.37Å; V377-T379 VanDerWaalsContact C-N 3.31Å; V377-T379 PolarHBondContact O-N 2.85Å
378	L	44.7	Very low	43.5	Very low	168 Å²	168	115.4 Å²	115.4	88%	0.88	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	14.1	-176.2	-78.3	172.9	0	0	0	115.8
379	T	40.8	Very low	40.8	Very low	120 Å²	120	117.8 Å²	117.8	74%	0.736	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-0.4	-179.1	-28.3	0	0	0	0	114.2	V377	V377-T379 VanDerWaalsContact C-N 3.31Å; V377-T379 PolarHBondContact O-N 2.85Å
380	N	40.8	Very low	38.9	Very low	154 Å²	154	120.8 Å²	120.8	82%	0.824	77%	0.768	S	S	*	*			trans	-115.5	80.2	-179.1	-91.2	-24.6	0	0	0	112.7
381	L	36.4	Very low	37.5	Very low	165 Å²	165	124.1 Å²	124.1	86%	0.864	78%	0.777	S	S	*	*			trans	-102.5	114.3	158.5	-77.4	170.6	0	0	0	108.9	A383	L381-A383 PolarHBondContact O-N 2.99Å
382	P	38.9	Very low	37	Very low	118 Å²	118	126.8 Å²	126.8	77%	0.766	79%	0.793	S	S	*	*			trans	-76	118.6	-179.3	29.6	-33	0	0	0	111	A384	P382-A384 PolarHBondContact O-N 2.78Å; P382-A384 VanDerWaalsContact O-N 3.1Å
383	A	38.1	Very low	36.7	Very low	114 Å²	114	127.2 Å²	127.2	94%	0.942	80%	0.801	S	S	*	*			trans	-73	99.3	172.8	0	0	0	0	0	110.6	L381	L381-A383 PolarHBondContact O-N 2.99Å
384	A	37.8	Very low	36.3	Very low	87 Å²	87	128 Å²	128	72%	0.719	81%	0.809	S	S	*	*			trans	-140.5	132.8	-177.9	0	0	0	0	0	113.5	P382	P382-A384 PolarHBondContact O-N 2.78Å; P382-A384 VanDerWaalsContact O-N 3.1Å
385	A	32.3	Very low	35.8	Very low	101 Å²	101	126.7 Å²	126.7	84%	0.835	81%	0.809	S	S	*	*			trans	58.3	110.4	162.5	0	0	0	0	0	119.8
386	L	36.2	Very low	35.8	Very low	169 Å²	169	126.4 Å²	126.4	89%	0.885	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-75.3	150.5	156.3	-67	161.9	0	0	0	111.2
387	P	36.6	Very low	35.2	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-97.5	143.4	147	34.3	-28.5	0	0	0	111.3
388	S	28.3	Very low	34.4	Very low	125 Å²	125	128 Å²	128	87%	0.874	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-88.4	142.1	-172	-53.4	0	0	0	0	114.4
389	A	29.1	Very low	33.7	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	82%	0.822	S	S	*	*			trans	-149.6	105.7	162.1	0	0	0	0	0	114.1
390	Q	30.4	Very low	33.2	Very low	196 Å²	196	125.6 Å²	125.6	92%	0.916	82%	0.819	S	S	*	*			trans	65	135.3	146.4	-53.2	-174.1	19.7	0	0	121.4
391	T	27.6	Very low	32.8	Very low	130 Å²	130	124.2 Å²	124.2	80%	0.798	82%	0.816	S	S	*	*			trans	-93.3	168.1	170.7	52.6	0	0	0	0	111
392	P	38.6	Very low	32.6	Very low	134 Å²	134	123.5 Å²	123.5	87%	0.87	81%	0.808	S	S	*	*				-132.4	167.3	101.7	37.7	-29.9	0	0	0	114.4
393	A	28.3	Very low	32.3	Very low	92 Å²	92	124.2 Å²	124.2	76%	0.76	80%	0.801	S	S	*	*			trans	-89.4	161.1	-162.9	0	0	0	0	0	115.8
394	S	30.9	Very low	31.9	Very low	129 Å²	129	127.5 Å²	127.5	90%	0.902	79%	0.794	S	S	*	*			trans	-149.1	151.1	131.1	-80.7	0	0	0	0	109.3
395	A	30.4	Very low	31.5	Very low	98 Å²	98	126.4 Å²	126.4	81%	0.81	79%	0.791	S	S	*	*			trans	-115.7	161.7	-171	0	0	0	0	0	111.8
396	V	33.9	Very low	31.2	Very low	120 Å²	120	128.9 Å²	128.9	73%	0.727	79%	0.786	S	S	*	*			trans	178.5	131.6	135.5	143	0	0	0	0	109.7
397	Q	34.2	Very low	31.1	Very low	189 Å²	189	129.1 Å²	129.1	88%	0.883	78%	0.779	S	S	*	*			trans	34.9	144.7	151.6	-58.1	160.9	-0.5	0	0	120.8
398	G	28.4	Very low	30.8	Very low	65 Å²	65	127.3 Å²	127.3	67%	0.67	78%	0.775	S	S	*	*			cis	157.1	150.8	1.8	0	0	0	0	0	111
399	N	30.1	Very low	30.8	Very low	173 Å²	173	128.7 Å²	128.7	93%	0.925	77%	0.772	S	S	*	*			trans	64.9	152.2	-171.5	-56.1	-8.1	0	0	0	113.8
400	G	30.2	Very low	30.9	Very low	65 Å²	65	130.9 Å²	130.9	67%	0.67	78%	0.776	S	S	*	*			cis	107.7	128.2	11.5	0	0	0	0	0	110.3
401	T	32.9	Very low	30.7	Very low	125 Å²	125	127.3 Å²	127.3	77%	0.767	76%	0.759	S	S	*	*			cis	-159.5	144.6	14.2	31.1	0	0	0	0	112.6
402	E	31.3	Very low	30.9	Very low	149 Å²	149	130.6 Å²	130.6	70%	0.696	76%	0.757	S	S	*	*			trans	68.5	126.3	141.2	-64.3	-172.8	113	0	0	121.1
403	Q	32.3	Very low	30.4	Very low	133 Å²	133	133.7 Å²	133.7	62%	0.621	76%	0.756	S	S	*	*				71.6	146.1	103.2	-59.9	-164.3	66.3	0	0	115
404	K	30.4	Very low	30.2	Very low	184 Å²	184	132.9 Å²	132.9	80%	0.8	76%	0.758	S	S	*	*			cis	-162.9	167.1	9.3	-141.2	174.3	-175.9	133	0	111.7
405	G	28.6	Very low	30.1	Very low	64 Å²	64	132.6 Å²	132.6	66%	0.66	76%	0.756	S	S	*	*			trans	85.7	110.2	156.9	0	0	0	0	0	114.6
406	E	27.6	Very low	30.1	Very low	152 Å²	152	135.6 Å²	135.6	71%	0.71	75%	0.75	S	S	*	*				78.3	123.4	54	-70	-144.2	99.8	0	0	116.1
407	K	32.5	Very low	30	Very low	174 Å²	174	136.4 Å²	136.4	76%	0.757	75%	0.746	S	S	*	*			trans	69.4	147.1	147.6	-68	161.7	-179.7	144.1	0	117.9
408	A	30.3	Very low	29.9	Very low	86 Å²	86	134.5 Å²	134.5	71%	0.711	74%	0.742	S	S	*	*			cis	-163	161.6	-16.7	0	0	0	0	0	111.8
409	L	28.3	Very low	30	Very low	154 Å²	154	136.8 Å²	136.8	81%	0.806	74%	0.739	S	S	*	*			trans	13.4	129.6	138	-174.6	69.3	0	0	0	119.2
410	V	32.4	Very low	30.2	Very low	137 Å²	137	135.4 Å²	135.4	83%	0.83	73%	0.727	S	S	*	*				-166.8	161.7	122.6	138.9	0	0	0	0	111.5
411	E	26.3	Very low	30.2	Very low	121 Å²	121	138.5 Å²	138.5	57%	0.565	72%	0.724	S	S	*	*			trans	-88.9	177	-159.7	-34.9	166.1	75.6	0	0	117.3
412	R	31	Very low	30.1	Very low	198 Å²	198	138.7 Å²	138.7	75%	0.747	72%	0.716	S	S	*	*			trans	83.9	116.3	133	-87.1	167.7	174.2	152.4	-4.2	122.3
413	K	27.5	Very low	30.2	Very low	199 Å²	199	138.3 Å²	138.3	87%	0.865	71%	0.714	S	S	*	*				81.6	96.6	114.3	-160.8	-176.1	-173.9	-172.8	0	118.2
414	G	24.7	Very low	30	Very low	76 Å²	76	139.7 Å²	139.7	78%	0.784	72%	0.72	S	S	*	*			trans	-82.1	-152.5	-180	0	0	0	0	0	117.4
415	S	28.6	Very low	30	Very low	123 Å²	123	137.4 Å²	137.4	86%	0.86	71%	0.712	S	S	*	*			trans	-157.1	152.4	-176	58.4	0	0	0	0	114.6
416	K	31.3	Very low	30.1	Very low	161 Å²	161	143 Å²	143	70%	0.7	72%	0.72	S	S	*	*			trans	-70.6	174.3	157.6	-82.4	159.6	147.2	-89.9	0	110.1
417	E	32	Very low	30.5	Very low	137 Å²	137	142.8 Å²	142.8	64%	0.64	72%	0.717	S	S	*	*			cis	-157.8	-167.5	-2.4	-128.2	152.2	171.9	0	0	111.1
418	D	31.6	Very low	30.3	Very low	149 Å²	149	141.8 Å²	141.8	80%	0.797	72%	0.715	S	S	*	*			trans	74.7	152.3	165.6	-63.1	-28.8	0	0	0	117.4
419	N	30	Very low	30.5	Very low	112 Å²	112	145.9 Å²	145.9	60%	0.599	72%	0.719	S	S	*	*			cis	-153.9	136	21.2	-162.8	27.8	0	0	0	115.4
420	Q	33.3	Very low	30.9	Very low	145 Å²	145	146 Å²	146	68%	0.678	72%	0.715	S	S	*	*			trans	54.9	160.9	146.4	-80.6	173.8	70.1	0	0	120.5
421	Q	31.9	Very low	30.7	Very low	130 Å²	130	148.2 Å²	148.2	61%	0.607	72%	0.716	S	S	*	*			cis	-162.9	162.8	21.4	-135.7	161.7	42.2	0	0	112.9
422	H	31.1	Very low	31.1	Very low	129 Å²	129	150.1 Å²	150.1	60%	0.597	72%	0.724	S	S	*	*			trans	59	117	159.5	-58.9	-44.3	0	0	0	120.6
423	H	31.8	Very low	31.2	Very low	141 Å²	141	146.9 Å²	146.9	65%	0.653	72%	0.717	S	S	*	*				72.7	144.5	80.8	-55.4	-7.4	0	0	0	114.9
424	H	29.6	Very low	31.7	Very low	162 Å²	162	145 Å²	145	75%	0.75	71%	0.711	S	S	*	*			cis	-172.7	177.7	-13.9	-94.6	-31.9	0	0	0	108.2
425	H	29.8	Very low	32	Very low	136 Å²	136	145.6 Å²	145.6	63%	0.63	70%	0.704	S	S	*	*			cis	175.8	117.9	-43.4	-171.8	95.3	0	0	0	109.8
426	H	30.2	Very low	32.1	Very low	180 Å²	180	147.4 Å²	147.4	83%	0.833	70%	0.699	S	S	*	*			trans	-163.6	119.3	162.8	-103.7	65.2	0	0	0	106.9
427	K	35.4	Very low	32.2	Very low	149 Å²	149	146.8 Å²	146.8	65%	0.648	70%	0.698	S	S	*	*				69.6	134.7	64	-70.9	-167.7	173.5	-175.6	0	113.4
428	H	28.6	Very low	32.1	Very low	153 Å²	153	148.3 Å²	148.3	71%	0.708	71%	0.706	S	S	*	*			cis	-141.3	153.4	34.3	-121.9	-81.8	0	0	0	116.6
429	H	35.5	Very low	32.2	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.796	70%	0.697	S	S	*	*			trans	-100.2	164.7	159.6	-97.5	-77	0	0	0	110.1
430	H	36.8	Very low	32.2	Very low	155 Å²	155	146.5 Å²	146.5	72%	0.718	71%	0.706	S	S	*	*				-177.5	146.9	113.4	-104.2	-69.2	0	0	0	116.5
431	H	28.6	Very low	32.2	Very low	184 Å²	184	146.4 Å²	146.4	85%	0.852	71%	0.709	S	S	*	*			trans	-129.1	178.7	137.2	-116.4	-65	0	0	0	108.3
432	H	32.9	Very low	32.2	Very low	161 Å²	161	148.9 Å²	148.9	75%	0.745	72%	0.72	S	S	*	*			trans	-160.8	143.2	-151	-177.3	100.9	0	0	0	111.1
433	H	34.9	Very low	32.3	Very low	131 Å²	131	147.1 Å²	147.1	61%	0.606	73%	0.728	S	S	*	*			cis	-171.3	165.1	-16.7	-170.9	49.5	0	0	0	110.4
434	Q	36.3	Very low	32.2	Very low	158 Å²	158	147.3 Å²	147.3	74%	0.738	73%	0.734	S	S	*	*			trans	66.5	158.1	161.9	-90.5	165.6	-2.4	0	0	118.9
435	S	30.7	Very low	32.5	Very low	90 Å²	90	151 Å²	151	63%	0.629	74%	0.742	S	S	*	*			cis	-162.7	148.6	3.2	35.6	0	0	0	0	113.8
436	Q	32.3	Very low	32.5	Very low	161 Å²	161	152 Å²	152	75%	0.752	75%	0.751	S	S	*	*			trans	66.1	124.5	148.9	-67	-172.6	-82.7	0	0	119.5
437	E	31.8	Very low	32.5	Very low	147 Å²	147	149.4 Å²	149.4	69%	0.687	75%	0.754	S	S	*	*				69.9	137	83.5	-64.6	178.8	123.8	0	0	113.6
438	Q	31.6	Very low	32.3	Very low	170 Å²	170	148.5 Å²	148.5	79%	0.794	76%	0.756	S	S	*	*			cis	-160	170.4	8.6	-140.7	173.6	22.2	0	0	112.1
439	A	32.1	Very low	32.5	Very low	75 Å²	75	148.2 Å²	148.2	62%	0.62	76%	0.755	S	S	*	*			trans	70.7	112.4	150.4	0	0	0	0	0	123
440	D	31	Very low	32.3	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	76%	0.756	S	S	*	*				77.8	130	114.1	-59.9	-6.5	0	0	0	126.2
441	I	33	Very low	32	Very low	143 Å²	143	149.6 Å²	149.6	73%	0.733	76%	0.762	S	S	*	*			trans	85.9	99.3	140.6	-68.5	164.9	0	0	0	121.1
442	E	32.2	Very low	32.3	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	76%	0.761	S	S	*	*				61	157.1	127	-57	-169.3	152.4	0	0	124.9
443	A	32.3	Very low	32.9	Very low	92 Å²	92	148.6 Å²	148.6	76%	0.76	76%	0.757	S	S	*	*			trans	88.6	105.1	149.3	0	0	0	0	0	120.1
444	D	31.3	Very low	32.7	Very low	146 Å²	146	149.8 Å²	149.8	78%	0.781	77%	0.767	S	S	*	*			trans	-23.9	145.5	150.5	-42.4	-35.8	0	0	0	116.6
445	R	34	Very low	32.4	Very low	240 Å²	240	152.8 Å²	152.8	91%	0.906	77%	0.772	S	S	*	*				-172.5	151.4	97.7	-99.9	163.9	-165.7	-165.2	2.9	115.4
446	D	31.6	Very low	32.3	Very low	156 Å²	156	153.5 Å²	153.5	83%	0.834	77%	0.773	S	S	*	*			trans	-55.3	148.8	157.5	-90.9	-51.6	0	0	0	112.8
447	S	30	Very low	32.1	Very low	126 Å²	126	154.4 Å²	154.4	88%	0.881	78%	0.777	S	S	*	*			trans	-165.1	147.1	132.9	-96.1	0	0	0	0	112.8
448	N	30.1	Very low	32	Very low	129 Å²	129	152 Å²	152	69%	0.69	78%	0.776	S	S	*	*			trans	-92.5	167.7	-163.1	-140.3	15.1	0	0	0	113.7
449	E	33.7	Very low	32	Very low	147 Å²	147	147.8 Å²	147.8	69%	0.687	77%	0.766	S	S	*	*			trans	70.4	148.1	143.1	-77.8	155.5	162.6	0	0	123.6
450	E	31	Very low	32	Very low	176 Å²	176	153.3 Å²	153.3	82%	0.822	78%	0.776	S	S	*	*			trans	26.1	144.8	145.7	-53.6	-164.4	118.9	0	0	121.2
451	E	30.7	Very low	31.9	Very low	180 Å²	180	157.7 Å²	157.7	84%	0.841	78%	0.781	S	S	*	*			cis	-155.5	171.7	39.9	-149.2	-170.9	152.8	0	0	113.8
452	R	35.3	Very low	31.8	Very low	222 Å²	222	154.8 Å²	154.8	84%	0.838	78%	0.779	S	S	*	*			trans	-76.3	170.9	159.9	-90	179.8	171	-170.5	-0.2	109.5
453	P	45.6	Very low	32.5	Very low	102 Å²	102	152.2 Å²	152.2	66%	0.662	78%	0.778	S	S	*	*			cis	-155.3	178.8	36.5	43.5	-21	0	0	0	119.7
454	L	29.8	Very low	32.5	Very low	156 Å²	156	156.2 Å²	156.2	82%	0.817	78%	0.78	S	S	*	*			trans	44.7	131.4	143.2	-68	164.5	0	0	0	120.2
455	R	30	Very low	32.5	Very low	221 Å²	221	157.3 Å²	157.3	83%	0.834	79%	0.785	S	S	*	*				179.6	159.9	65.6	-135.4	172.3	-175.7	167.5	0.8	114.4
456	T	28.4	Very low	32.4	Very low	106 Å²	106	153.4 Å²	153.4	65%	0.65	78%	0.776	S	S	*	*			trans	55.1	122	150.6	42	0	0	0	0	124.1
457	E	27.9	Very low	32.3	Very low	179 Å²	179	154.8 Å²	154.8	84%	0.836	78%	0.777	S	S	*	*				45.9	143.6	116.7	-66.7	-167	112	0	0	122.6
458	S	30.7	Very low	32.3	Very low	96 Å²	96	157.4 Å²	157.4	67%	0.671	77%	0.773	S	S	*	*			cis	-167.3	177	-2.2	63	0	0	0	0	113.9
459	S	30.8	Very low	32.3	Very low	83 Å²	83	156.1 Å²	156.1	58%	0.58	77%	0.774	S	S	*	*			trans	77.2	107.8	147.7	-68.2	0	0	0	0	124.3
460	K	32.9	Very low	32.4	Very low	190 Å²	190	154.3 Å²	154.3	83%	0.826	78%	0.778	S	S	*	*				73.3	90.8	119.8	-62.8	163.6	-172.8	160	0	122.9
461	R	28.5	Very low	32.7	Very low	239 Å²	239	151.3 Å²	151.3	90%	0.902	78%	0.776	S	S	*	*				72.7	127.5	103.2	-176.2	172.4	-170.9	-179.4	5.4	123.3
462	A	31.6	Very low	32.8	Very low	83 Å²	83	149.6 Å²	149.6	69%	0.686	78%	0.778	S	S	*	*			trans	80.6	159.7	148.1	0	0	0	0	0	119.3
463	P	45.7	Very low	32.6	Very low	127 Å²	127	148.3 Å²	148.3	83%	0.825	77%	0.773	S	S	*	*			cis	-128.9	-173.9	11.9	42.6	-26	0	0	0	118.1
464	H	32.1	Very low	32	Very low	177 Å²	177	150.5 Å²	150.5	82%	0.819	79%	0.785	S	S	*	*			trans	-97.3	173	179.9	-52.8	-105.3	0	0	0	113.6
465	I	32.1	Very low	32.2	Very low	169 Å²	169	149.2 Å²	149.2	87%	0.867	78%	0.775	S	S	*	*				-173.6	167.8	121.4	-96.4	158.8	0	0	0	113.3
466	H	31.8	Very low	32.4	Very low	158 Å²	158	147.4 Å²	147.4	73%	0.731	78%	0.775	S	S	*	*			trans	-99.4	164.2	-164.6	-63.1	-99	0	0	0	117.4
467	H	29	Very low	32.7	Very low	185 Å²	185	150.2 Å²	150.2	86%	0.856	78%	0.781	S	S	*	*			trans	-156.8	151.1	135.1	-98.1	-82.4	0	0	0	108.7
468	K	30.4	Very low	32.8	Very low	180 Å²	180	148.4 Å²	148.4	78%	0.783	78%	0.777	S	S	*	*			cis	78.6	125.5	3.7	-83	-168.1	177.8	-174	0	118.3
469	S	31.3	Very low	32.9	Very low	102 Å²	102	151.6 Å²	151.6	71%	0.713	78%	0.781	S	S	*	*			cis	-167.9	177.5	1.9	-13.9	0	0	0	0	109.7
470	S	35.9	Very low	32.9	Very low	110 Å²	110	155 Å²	155	77%	0.769	79%	0.787	S	S	*	*			cis	176.9	154	-19.2	49.4	0	0	0	0	112.9
471	S	35.3	Very low	32.9	Very low	113 Å²	113	154.7 Å²	154.7	79%	0.79	79%	0.788	S	S	*	*			trans	81.1	134.5	152.3	-164.7	0	0	0	0	123.2
472	T	32.9	Very low	33	Very low	144 Å²	144	151 Å²	151	88%	0.883	78%	0.781	S	S	*	*			trans	-151.9	160.2	141.5	34.7	0	0	0	0	111.5
473	R	31.2	Very low	32.9	Very low	195 Å²	195	155.5 Å²	155.5	74%	0.736	79%	0.788	S	S	*	*			trans	-95.5	154	-173.7	-79	161	64.7	-158.8	5.2	114.6	E475	R473-E475 IonicContact CZ-OE1 2.99Å; R473-E475 IonicContact NE-OE1 3.97Å; R473-E475 IonicContact NH2-OE1 2.78Å; R473-E475 PolarHBondContact NH2-OE1 2.68Å; R473-E475 IonicContact NH2-OE2 3.02Å
474	T	34.4	Very low	32.2	Very low	148 Å²	148	157.3 Å²	157.3	91%	0.908	78%	0.784	S	S	*	*			trans	-144.6	155.2	135.5	24.8	0	0	0	0	109.8
475	E	33.6	Very low	32	Very low	129 Å²	129	157.5 Å²	157.5	60%	0.603	79%	0.786	S	S	*	*			trans	-117.1	158	-177.9	-67.3	165.5	170.6	0	0	109.9	R473	R473-E475 IonicContact CZ-OE1 2.99Å; R473-E475 IonicContact NE-OE1 3.97Å; R473-E475 IonicContact NH2-OE1 2.78Å; R473-E475 PolarHBondContact NH2-OE1 2.68Å; R473-E475 IonicContact NH2-OE2 3.02Å
476	H	34.2	Very low	31.9	Very low	182 Å²	182	158.4 Å²	158.4	84%	0.843	79%	0.785	S	S	*	*			trans	-167	174.1	143.3	-93.3	-42.6	0	0	0	111.3
477	H	34	Very low	31.8	Very low	165 Å²	165	156.3 Å²	156.3	76%	0.764	79%	0.789	S	S	*	*			trans	-91	158.3	-149.5	-58.3	-71.1	0	0	0	116.3
478	N	30.4	Very low	31.9	Very low	141 Å²	141	153.4 Å²	153.4	75%	0.754	79%	0.789	S	S	*	*			trans	-118.8	124.1	175.1	-168.6	11.2	0	0	0	108.7
479	H	33.5	Very low	31.9	Very low	164 Å²	164	154.5 Å²	154.5	76%	0.759	79%	0.794	S	S	*	*			trans	-97.7	137.4	178.7	-85.3	-82.2	0	0	0	111.3
480	H	31.1	Very low	31.9	Very low	155 Å²	155	153.7 Å²	153.7	72%	0.718	79%	0.793	S	S	*	*			trans	-124.7	131.8	168.9	-87.7	22.6	0	0	0	109
481	H	31.1	Very low	31.6	Very low	182 Å²	182	160.6 Å²	160.6	84%	0.843	80%	0.803	S	S	*	*			trans	-95.3	117.9	170.2	-90.9	-76.3	0	0	0	110.4
482	H	30.5	Very low	31.3	Very low	161 Å²	161	158.2 Å²	158.2	75%	0.745	80%	0.796	S	S	*	*			trans	-82.9	147.1	163.8	-70.1	-82.8	0	0	0	110.4
483	H	30.1	Very low	31.2	Very low	179 Å²	179	160 Å²	160	83%	0.829	80%	0.8	S	S	*	*			trans	-134.5	154.7	151.4	-91.5	-73.5	0	0	0	110.5
484	H	30.6	Very low	31	Very low	164 Å²	164	155.7 Å²	155.7	76%	0.759	80%	0.799	S	S	*	*			trans	-89.4	146.3	-156.8	-79.5	-101.4	0	0	0	115
485	H	28.1	Very low	30.8	Very low	182 Å²	182	157.9 Å²	157.9	84%	0.843	79%	0.791	S	S	*	*			trans	-73.4	144.3	150.1	-78	-88.3	0	0	0	110.5
486	H	30.3	Very low	30.6	Very low	187 Å²	187	160.2 Å²	160.2	87%	0.866	80%	0.801	S	S	*	*			trans	-115.3	150.3	150	-93.9	-90.8	0	0	0	109.6
487	S	28.8	Very low	30.3	Very low	115 Å²	115	157.6 Å²	157.6	80%	0.804	79%	0.79	S	S	*	*			trans	-137.3	149.2	-179.9	79.8	0	0	0	0	111
488	S	31.3	Very low	30.2	Very low	123 Å²	123	156 Å²	156	86%	0.86	79%	0.791	S	S	*	*			trans	-140.5	123.7	168	46	0	0	0	0	111.4
489	K	31.7	Very low	30.2	Very low	203 Å²	203	156.1 Å²	156.1	88%	0.883	79%	0.792	S	S	*	*			trans	-80.5	163.6	164.1	-79.6	175.8	178.8	176.8	0	108.7
490	A	31.4	Very low	29.9	Very low	85 Å²	85	155.1 Å²	155.1	70%	0.702	79%	0.792	S	S	*	*			cis	-173	-171.7	-12.7	0	0	0	0	0	108.8
491	R	29.5	Very low	30	Very low	255 Å²	255	152.1 Å²	152.1	96%	0.962	79%	0.788	S	S	*	*			trans	76.3	147.8	179.1	-52.1	174.1	173	175.7	-3.5	113.6
492	G	27.5	Very low	29.8	Very low	64 Å²	64	151.8 Å²	151.8	66%	0.66	79%	0.787	S	S	*	*			cis	153.9	158.1	-4.7	0	0	0	0	0	111.3
493	L	31.1	Very low	30.1	Very low	182 Å²	182	150.4 Å²	150.4	95%	0.953	79%	0.79	S	S	*	*			trans	72.7	158.4	-174.8	-47.8	175.2	0	0	0	114.4
494	S	28.3	Very low	30.5	Very low	103 Å²	103	147.8 Å²	147.8	72%	0.72	79%	0.789	S	S	*	*			cis	-168.7	123.7	-28.7	171.9	0	0	0	0	112.2
495	R	29.9	Very low	30.4	Very low	194 Å²	194	148.6 Å²	148.6	73%	0.732	79%	0.793	S	S	*	*			trans	32.3	114.6	144.7	-171.1	-167.8	178.7	-175.2	1.3	122	E497	R495-E497 IonicContact CZ-OE2 3.46Å; R495-E497 IonicContact NE-OE2 2.91Å; R495-E497 PolarHBondContact NE-OE2 2.9Å; R495-E497 IonicContact NH2-OE2 3.09Å; R495-E497 PolarHBondContact NH2-OE2 2.72Å; R495-E497 VanDerWaalsContact NH2-OE2 3.09Å
496	Q	29.5	Very low	30.7	Very low	178 Å²	178	145 Å²	145	83%	0.832	79%	0.788	S	S	*	*				-178.4	137.7	126.9	-98.5	169.3	-46.8	0	0	106.7
497	E	28.4	Very low	30.8	Very low	128 Å²	128	145.6 Å²	145.6	60%	0.598	78%	0.783	S	S	*	*			cis	78.6	93.1	38.8	-62.5	-173.8	98.8	0	0	114.7	R495	R495-E497 IonicContact CZ-OE2 3.46Å; R495-E497 IonicContact NE-OE2 2.91Å; R495-E497 PolarHBondContact NE-OE2 2.9Å; R495-E497 IonicContact NH2-OE2 3.09Å; R495-E497 PolarHBondContact NH2-OE2 2.72Å; R495-E497 VanDerWaalsContact NH2-OE2 3.09Å
498	T	30.8	Very low	30.8	Very low	130 Å²	130	146.4 Å²	146.4	80%	0.798	77%	0.774	S	S	*	*			trans	157.2	110.2	143.5	50.7	0	0	0	0	110.2
499	L	30.7	Very low	31	Very low	145 Å²	145	145.1 Å²	145.1	76%	0.759	77%	0.765	S	S	*	*				80.5	104.8	92.4	-70.3	173	0	0	0	115.6
500	D	27.7	Very low	31.2	Very low	143 Å²	143	145.3 Å²	145.3	77%	0.765	76%	0.76	S	S	*	*				57.5	156	124.5	-55.8	-21	0	0	0	125.4
501	S	31.8	Very low	31.3	Very low	91 Å²	91	146.8 Å²	146.8	64%	0.636	75%	0.753	S	S	*	*			trans	81.8	104	151.9	-76.7	0	0	0	0	122.5
502	E	26.9	Very low	31.4	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.822	74%	0.739	S	S	*	*				80.7	148.6	117.4	-69.6	166.4	109.2	0	0	122.1
503	T	37.7	Very low	31.9	Very low	131 Å²	131	143.6 Å²	143.6	80%	0.804	74%	0.74	S	S	*	*			trans	-77.4	161.3	174.6	46.9	0	0	0	0	112
504	P	38.1	Very low	32	Very low	125 Å²	125	141.1 Å²	141.1	81%	0.812	73%	0.727	S	S	*	*				-139.4	171.9	111.1	38.3	-28	0	0	0	115.1
505	E	29.3	Very low	32.3	Very low	180 Å²	180	141.8 Å²	141.8	84%	0.841	73%	0.732	S	S	*	*			trans	-71.5	163.4	173	-50.4	163	97	0	0	112.7
506	S	33.1	Very low	32.7	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	74%	0.737	S	S	*	*				173.3	128.8	125.9	-85.2	0	0	0	0	115.9
507	R	33.4	Very low	32.6	Very low	200 Å²	200	139.6 Å²	139.6	76%	0.755	74%	0.738	S	S	*	*			trans	60.4	122.6	133.5	-51.5	-171.9	84.9	132.5	11.4	120.1
508	E	29.9	Very low	32.8	Very low	131 Å²	131	140.3 Å²	140.3	61%	0.612	74%	0.744	S	S	*	*				66	142.6	97.2	-58	-177.3	108.3	0	0	114.8
509	S	35.5	Very low	32.7	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	75%	0.745	S	S	*	*			cis	-145.7	155	24.5	-49.7	0	0	0	0	111.3
510	R	35.5	Very low	32.6	Very low	207 Å²	207	141.1 Å²	141.1	78%	0.781	75%	0.748	S	S	*	*				54.7	158.3	98	-49.5	-175.9	173.7	-160.6	1.1	116.5
511	E	32.3	Very low	32.7	Very low	117 Å²	117	145.4 Å²	145.4	55%	0.547	75%	0.753	S	S	.	*			cis	-154.2	152.8	10.4	-148.6	164.7	111.7	0	0	107.7	K513	E511-K513 IonicContact OE1-NZ 3.66Å; E511-K513 PolarHBondContact OE1-NZ 3.34Å
512	S	31.9	Very low	32.8	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	76%	0.758	S	S	*	*				172.1	140	78.5	-65.7	0	0	0	0	114
513	K	38	Very low	33.7	Very low	156 Å²	156	142.5 Å²	142.5	68%	0.678	76%	0.755	S	S	*	*				42	156.8	125.2	-68.4	166.2	179.9	129.7	0	121.9	E511	E511-K513 IonicContact OE1-NZ 3.66Å; E511-K513 PolarHBondContact OE1-NZ 3.34Å
514	D	32.7	Very low	33.4	Very low	129 Å²	129	144.3 Å²	144.3	69%	0.69	76%	0.758	S	S	*	*			cis	-152.7	152.9	0.7	-120.3	-44.5	0	0	0	108.7
515	S	34.8	Very low	32.9	Very low	117 Å²	117	148.7 Å²	148.7	82%	0.818	76%	0.759	S	S	*	*				-176.3	161.8	84.8	-62.9	0	0	0	0	111.1
516	A	38.4	Very low	33.1	Very low	101 Å²	101	146.1 Å²	146.1	84%	0.835	75%	0.747	S	S	*	*			trans	-130.6	167.5	-167.9	0	0	0	0	0	115.7
517	R	27.9	Very low	32.9	Very low	226 Å²	226	147.4 Å²	147.4	85%	0.853	74%	0.741	S	S	*	*			trans	-155	105.9	154.8	-161.6	168.4	-175.1	173.3	0.9	115.6
518	I	32.3	Very low	32.8	Very low	143 Å²	143	143 Å²	143	73%	0.733	73%	0.733	S	S	*	*			trans	43.5	117.6	137.9	-51.5	169	0	0	0	119.9
519	E	28.4	Very low	33	Very low	176 Å²	176	143 Å²	143	82%	0.822	73%	0.732	S	S	*	*				-164	171.1	108.7	-163.6	135.1	-116.8	0	0	111.5
520	S	29.7	Very low	32.8	Very low	115 Å²	115	146.7 Å²	146.7	80%	0.804	74%	0.739	S	S	*	*			trans	-164	-172.7	-174.6	-63.8	0	0	0	0	109.6
521	R	29.2	Very low	32.6	Very low	234 Å²	234	144 Å²	144	88%	0.883	74%	0.74	S	S	*	*			cis	-162.9	124.8	17	179.6	-174.9	168.3	-168.1	-4.1	113.3
522	A	33.1	Very low	32.7	Very low	88 Å²	88	146 Å²	146	73%	0.727	75%	0.75	S	S	*	*			trans	63.6	154.7	153.2	0	0	0	0	0	121.5
523	P	45.5	Very low	32.8	Very low	118 Å²	118	150.1 Å²	150.1	77%	0.766	76%	0.758	S	S	*	*			trans	-106.6	172.8	171.4	41.4	-34.8	0	0	0	113.8
524	L	31.7	Very low	32.8	Very low	168 Å²	168	151.8 Å²	151.8	88%	0.88	77%	0.768	S	S	*	*			trans	169.1	166.8	141.5	-96.7	166	0	0	0	113.5
525	R	28.8	Very low	32.9	Very low	217 Å²	217	155.2 Å²	155.2	82%	0.819	78%	0.78	S	S	*	*			trans	74.9	148.7	-178.8	-55	-169.1	118.5	-157	-10	114.4
526	H	32.2	Very low	33	Very low	127 Å²	127	157.3 Å²	157.3	59%	0.588	78%	0.782	S	S	*	*			cis	-166.4	168.9	-14.5	-108.6	-53	0	0	0	105.9	D528	H526-D528 IonicContact CE1-OD1 3.44Å; H526-D528 CovalentContact CE1-OD2 1.82Å; H526-D528 IonicContact CE1-OD2 2.67Å; H526-D528 PolarHBondContact CE1-OD2 2.91Å; H526-D528 IonicContact CG-OD2 2.72Å; H526-D528 IonicContact ND1-OD2 3.45Å; H526-D528 PolarHBondContact ND1-OD2 3.45Å; H526-D528 IonicContact NE2-OD2 3.15Å; H526-D528 PolarHBondContact NE2-OD2 3.41Å
527	Q	29.9	Very low	32.9	Very low	133 Å²	133	162 Å²	162	62%	0.621	79%	0.787	S	S	*	*			cis	-106.4	-159.2	-5.6	-104.2	148.5	-109.2	0	0	108.4	E529	Q527-E529 PolarHBondContact NE2-OE1 2.96Å; Q527-E529 PolarHBondContact NE2-OE2 3.22Å
528	D	31	Very low	33.3	Very low	109 Å²	109	160.1 Å²	160.1	58%	0.583	79%	0.788	S	S	*	*			cis	67.6	155.9	19.7	-21.2	-73.4	0	0	0	111.1	H526	H526-D528 IonicContact CE1-OD1 3.44Å; H526-D528 CovalentContact CE1-OD2 1.82Å; H526-D528 IonicContact CE1-OD2 2.67Å; H526-D528 PolarHBondContact CE1-OD2 2.91Å; H526-D528 IonicContact CG-OD2 2.72Å; H526-D528 IonicContact ND1-OD2 3.45Å; H526-D528 PolarHBondContact ND1-OD2 3.45Å; H526-D528 IonicContact NE2-OD2 3.15Å; H526-D528 PolarHBondContact NE2-OD2 3.41Å
529	E	33.7	Very low	33.5	Very low	129 Å²	129	162.7 Å²	162.7	60%	0.603	80%	0.797	S	S	*	*			cis	-148.9	165.7	-1.1	-64.1	95.4	163.7	0	0	107.1	Q527	Q527-E529 PolarHBondContact NE2-OE1 2.96Å; Q527-E529 PolarHBondContact NE2-OE2 3.22Å
530	E	32.5	Very low	33.8	Very low	174 Å²	174	163.6 Å²	163.6	81%	0.813	80%	0.801	S	S	*	*			cis	-165.3	-174	-21.7	-92.9	173.6	135.3	0	0	108.9
531	D	31.1	Very low	34	Very low	150 Å²	150	166.5 Å²	166.5	80%	0.802	80%	0.802	S	S	*	*			trans	66.1	154.5	174.9	-56.4	-21.8	0	0	0	120.8
532	E	34.5	Very low	34.4	Very low	161 Å²	161	164.8 Å²	164.8	75%	0.752	80%	0.804	S	S	*	*			cis	-157.3	154.4	-14.9	-115.5	-179.3	171.2	0	0	112.6
533	E	33.9	Very low	34.6	Very low	181 Å²	181	167.8 Å²	167.8	85%	0.846	81%	0.807	S	S	*	*			trans	45.7	163.5	155.4	-56	-159.8	142.8	0	0	126.2
534	E	37	Very low	34.3	Very low	191 Å²	191	170.3 Å²	170.3	89%	0.893	81%	0.814	S	S	*	*			trans	-110.4	145.7	178.4	-60.5	177	139.4	0	0	110.3
535	E	35.5	Very low	34.7	Very low	201 Å²	201	169.3 Å²	169.3	94%	0.939	81%	0.81	S	S	*	*			trans	-131.6	120.1	161.3	-73.9	-173.8	141.8	0	0	109.8
536	D	35.7	Very low	35.2	Very low	161 Å²	161	166 Å²	166	86%	0.861	81%	0.809	S	S	*	*			trans	-77.8	143.3	159.8	-71.8	-56.5	0	0	0	108.7
537	E	37.4	Very low	35.5	Very low	199 Å²	199	167.9 Å²	167.9	93%	0.93	82%	0.818	S	S	*	*			trans	-150.8	137.3	149.6	-126.4	166.2	-152.7	0	0	111.6
538	E	36.9	Very low	35.7	Very low	187 Å²	187	168.3 Å²	168.3	87%	0.874	82%	0.82	S	S	*	*			trans	-94.9	142	175.3	-58.1	176.8	132.9	0	0	108.4
539	E	35.4	Very low	35.9	Very low	197 Å²	197	170.3 Å²	170.3	92%	0.921	83%	0.83	S	S	*	*			trans	-127.7	152.1	162.9	-82.5	-161.9	149.3	0	0	110.5
540	E	34.3	Very low	35.8	Very low	195 Å²	195	167.6 Å²	167.6	91%	0.911	84%	0.836	S	S	*	*			trans	-98.3	175.5	-145.6	-58.3	-176.5	118.9	0	0	115.4
541	E	34.3	Very low	35.9	Very low	176 Å²	176	169.1 Å²	169.1	82%	0.822	84%	0.843	S	S	*	*			trans	-68.2	150.8	168.1	-54.3	-91.8	-172	0	0	110.7
542	E	37.8	Very low	35.8	Very low	199 Å²	199	165.9 Å²	165.9	93%	0.93	85%	0.845	S	S	*	*			trans	-114.7	115.5	153.6	-82	-166.9	141.9	0	0	108.5
543	D	36.6	Very low	35.5	Very low	150 Å²	150	167 Å²	167	80%	0.802	85%	0.851	S	S	*	*			trans	-69.6	151.5	172.1	-70.4	-61.6	0	0	0	111.8
544	D	40.6	Very low	36.3	Very low	171 Å²	171	162.5 Å²	162.5	91%	0.914	84%	0.837	S	S	*	*			trans	-146.3	111.7	152.5	-125.4	-13	0	0	0	107.7
545	D	40.4	Very low	36.1	Very low	148 Å²	148	160.8 Å²	160.8	79%	0.791	83%	0.829	S	S	*	*			trans	-73.7	153	-179.6	-93.4	-51.9	0	0	0	112.2
546	D	38.8	Very low	35.8	Very low	147 Å²	147	158.4 Å²	158.4	79%	0.786	82%	0.817	S	S	*	*				-173.6	130.1	129.7	-104.3	-19	0	0	0	113.5
547	E	38.2	Very low	35.5	Very low	166 Å²	166	157.2 Å²	157.2	78%	0.776	81%	0.807	S	S	*	*			trans	26.3	144.1	142.3	-61.1	-166.2	160.1	0	0	122.2
548	E	35.1	Very low	35.1	Very low	142 Å²	142	155.1 Å²	155.1	66%	0.664	80%	0.797	S	S	*	*			cis	-163.7	164.4	1	-131.4	-154.3	138.9	0	0	111.9
549	L	34.9	Very low	34.6	Very low	151 Å²	151	155.9 Å²	155.9	79%	0.791	79%	0.792	S	S	*	*			trans	62.1	141	154.4	-61.1	167.2	0	0	0	121.7
550	G	31.5	Very low	34.4	Very low	72 Å²	72	156.9 Å²	156.9	74%	0.742	79%	0.789	S	S	*	*			trans	-176.4	-26.2	172.1	0	0	0	0	0	121.2
551	E	34	Very low	34.3	Very low	206 Å²	206	155.1 Å²	155.1	96%	0.963	78%	0.781	S	S	*	*			trans	59.6	161.7	178.3	-59.3	-165.8	114.7	0	0	119.3
552	G	28.8	Very low	34.4	Very low	82 Å²	82	152.3 Å²	152.3	85%	0.845	78%	0.777	S	S	*	*			trans	122.6	30.8	146	0	0	0	0	0	122.5
553	H	28	Very low	34.2	Very low	186 Å²	186	150 Å²	150	86%	0.861	77%	0.771	S	S	*	*			trans	-79.3	168.5	167.5	-126.6	14.4	0	0	0	111.7
554	P	51.9	Low	34.9	Very low	85 Å²	85	147.3 Å²	147.3	55%	0.552	76%	0.762	S	S	*	*			cis	-143.8	-167.7	-10.2	44	-25	0	0	0	116
555	Q	31.9	Very low	34.6	Very low	156 Å²	156	147.8 Å²	147.8	73%	0.729	76%	0.758	S	S	*	*			trans	80	113.9	144.8	-80.4	166.9	25.5	0	0	124
556	Q	30.2	Very low	34.2	Very low	150 Å²	150	151.8 Å²	151.8	70%	0.701	76%	0.762	S	S	*	*				63.3	148.2	121	-65.5	-174.5	27	0	0	120.4
557	Q	28.8	Very low	33.7	Very low	137 Å²	137	150.9 Å²	150.9	64%	0.64	76%	0.757	S	S	*	*			cis	-160.3	166.8	16.6	-138.2	179.6	71.4	0	0	113
558	Q	28.3	Very low	33.6	Very low	154 Å²	154	151.5 Å²	151.5	72%	0.72	76%	0.759	S	S	*	*			trans	69.7	102.9	156.8	-62	-174.1	46.2	0	0	122.4
559	R	27.8	Very low	33.5	Very low	204 Å²	204	152.1 Å²	152.1	77%	0.77	77%	0.767	S	S	*	*				47.2	117	114.4	-179.3	-165	-77.9	-103.3	2.9	119.3
560	Y	29.2	Very low	33.8	Very low	217 Å²	217	153 Å²	153	85%	0.851	77%	0.767	S	S	*	*				-163.7	163.6	112.4	-112.1	-78.7	0	0	0	112.1
561	E	33.3	Very low	33.9	Very low	159 Å²	159	158.2 Å²	158.2	74%	0.743	77%	0.772	S	S	*	*			trans	-85.2	167.7	-171	-126.9	-177	-125	0	0	113.5
562	P	36	Very low	33.9	Very low	116 Å²	116	155.6 Å²	155.6	75%	0.753	76%	0.759	S	S	*	*				-150	178	65.4	40.9	-20.2	0	0	0	118.2
563	L	33	Very low	33.9	Very low	151 Å²	151	161.1 Å²	161.1	79%	0.791	76%	0.763	S	S	*	*			trans	-124.4	-174	169.7	-67.8	169.4	0	0	0	110.2
564	P	51.5	Low	34	Very low	94 Å²	94	159.6 Å²	159.6	61%	0.61	76%	0.755	S	S	*	*				-133.1	177.8	-72	41.2	-25.8	0	0	0	115.1
565	H	35.8	Very low	33	Very low	180 Å²	180	164.4 Å²	164.4	83%	0.833	77%	0.77	S	S	*	*			trans	60.1	133.5	161.3	-57.2	-60.9	0	0	0	121.7
566	R	30.6	Very low	33.1	Very low	233 Å²	233	164.3 Å²	164.3	88%	0.879	77%	0.77	S	S	*	*				-174.3	-179.5	107.7	-118.2	-165.4	156.8	144.1	-0.9	115.9
567	D	29.7	Very low	33.1	Very low	128 Å²	128	165.4 Å²	165.4	68%	0.684	77%	0.774	S	S	*	*			trans	-92.2	-178.3	-159.3	-45.9	-78.3	0	0	0	118
568	H	34.6	Very low	33.2	Very low	178 Å²	178	170 Å²	170	82%	0.824	79%	0.786	S	S	*	*			trans	-41.5	150.8	-179.9	-44.6	-62.6	0	0	0	119.4
569	N	32.8	Very low	33.3	Very low	155 Å²	155	168 Å²	168	83%	0.829	79%	0.789	S	S	*	*				156.3	163.6	98.4	-158.2	6.8	0	0	0	113.1
570	H	42.9	Very low	33.2	Very low	169 Å²	169	162.2 Å²	162.2	78%	0.782	79%	0.792	S	S	*	*			trans	-100.4	151.2	178.4	-76.8	-55.7	0	0	0	113.6
571	H	33.4	Very low	33.3	Very low	183 Å²	183	156.1 Å²	156.1	85%	0.847	79%	0.787	S	S	*	*			trans	-157.5	176.2	150.2	-111.3	33.9	0	0	0	115.5
572	H	32.9	Very low	33.3	Very low	150 Å²	150	156.2 Å²	156.2	69%	0.694	79%	0.792	S	S	*	*			trans	-82.8	170.6	-158.5	-63.3	-87.8	0	0	0	118
573	H	29.7	Very low	33	Very low	199 Å²	199	160.2 Å²	160.2	92%	0.921	80%	0.801	S	S	*	*			trans	-144.2	163.9	138.6	-99	-71.4	0	0	0	113.4
574	H	30.5	Very low	32.9	Very low	153 Å²	153	157.9 Å²	157.9	71%	0.708	80%	0.804	S	S	*	*			trans	-108.1	172.4	-171.3	-87.2	-89.4	0	0	0	113.4
575	H	29.8	Very low	31.8	Very low	186 Å²	186	157.1 Å²	157.1	86%	0.861	81%	0.813	S	S	*	*			trans	-154.4	163.9	133.7	-110.9	-77.4	0	0	0	113.4
576	H	34	Very low	31.5	Very low	155 Å²	155	158.4 Å²	158.4	72%	0.718	82%	0.819	S	S	*	*			trans	-144	157.3	-173.3	-91.5	-69.3	0	0	0	111.6
577	H	30.6	Very low	31.5	Very low	173 Å²	173	151.1 Å²	151.1	80%	0.801	82%	0.816	S	S	*	*			trans	-168.9	130	140	-82	-47.9	0	0	0	108.7
578	R	30.3	Very low	31.7	Very low	232 Å²	232	153.1 Å²	153.1	88%	0.875	82%	0.821	S	S	*	*				56	141.7	85.5	-84	-155.1	162.3	-171.5	-4.6	115.6
579	S	30.1	Very low	31.8	Very low	114 Å²	114	153 Å²	153	80%	0.797	82%	0.821	S	S	*	*			cis	-174.8	153	-18.3	-100.1	0	0	0	0	109.4
580	G	27.2	Very low	31.8	Very low	81 Å²	81	155 Å²	155	84%	0.835	82%	0.817	S	S	*	*			trans	-174.1	155.9	174.9	0	0	0	0	0	113
581	A	31.7	Very low	31.5	Very low	89 Å²	89	152.8 Å²	152.8	74%	0.736	82%	0.82	S	S	*	*			trans	-119.1	150.6	-156.7	0	0	0	0	0	117.2
582	D	31.8	Very low	31.7	Very low	161 Å²	161	153.7 Å²	153.7	86%	0.861	82%	0.822	S	S	*	*			trans	65.1	159.2	140.1	-62.6	-28.1	0	0	0	125.6
583	E	30.2	Very low	32	Very low	201 Å²	201	152.4 Å²	152.4	94%	0.939	82%	0.816	S	S	*	*			trans	81	160.1	168.9	-93.4	-166.2	137.8	0	0	122.8
584	A	30.5	Very low	32.5	Very low	102 Å²	102	153.1 Å²	153.1	84%	0.843	81%	0.811	S	S	*	*			trans	-99.9	161.4	-146.4	0	0	0	0	0	115.6
585	G	28.8	Very low	33	Very low	78 Å²	78	154.5 Å²	154.5	80%	0.804	82%	0.817	S	S	*	*			trans	-166.7	142.1	172.6	0	0	0	0	0	114.3
586	Q	30	Very low	33.6	Very low	207 Å²	207	153.3 Å²	153.3	97%	0.967	81%	0.812	S	S	*	*			trans	-89.1	155.5	172.8	-61.9	168.8	-8.2	0	0	110.5
587	G	29.3	Very low	33.9	Very low	79 Å²	79	152.1 Å²	152.1	81%	0.814	81%	0.811	S	S	*	*			trans	175	97.9	171.1	0	0	0	0	0	115.8
588	H	35.1	Very low	34.5	Very low	171 Å²	171	151.9 Å²	151.9	79%	0.792	81%	0.81	S	S	*	*			trans	-87	164.3	164.8	-97	-109.1	0	0	0	111.4
589	H	35.5	Very low	35.2	Very low	175 Å²	175	147 Å²	147	81%	0.81	80%	0.801	S	S	*	*			trans	66.3	92.9	164	-55.3	-71	0	0	0	119.5
590	R	34.3	Very low	35.7	Very low	197 Å²	197	148.4 Å²	148.4	74%	0.743	80%	0.795	S	S	*	*				-165.4	80.5	127.9	-118.9	171.5	157.8	159.2	-8.1	114.1	E593	R590-E593 IonicContact CZ-OE1 3.76Å; R590-E593 IonicContact CZ-OE2 3.26Å; R590-E593 VanDerWaalsContact CZ-OE2 3.26Å; R590-E593 IonicContact NE-OE1 3.92Å; R590-E593 IonicContact NE-OE2 2.68Å; R590-E593 PolarHBondContact NE-OE2 3.09Å; R590-E593 VanDerWaalsContact NH2-CD 3.29Å; R590-E593 IonicContact NH2-OE1 3.81Å; R590-E593 PolarHBondContact NH2-OE1 3.14Å; R590-E593 IonicContact NH2-OE2 3.79Å; R590-E593 PolarHBondContact NH2-OE2 2.91Å
591	S	35.3	Very low	36.5	Very low	122 Å²	122	155.5 Å²	155.5	85%	0.853	80%	0.797	S	S	*	*			trans	-137.4	49.3	175.9	-53.5	0	0	0	0	112.8
592	K	38.3	Very low	37	Very low	202 Å²	202	158.8 Å²	158.8	88%	0.878	80%	0.802	S	S	*	*	S	Bend	trans	-139.5	19.6	170.8	-80.6	-159.6	171.9	-171.1	0	113.6
593	E	39.5	Very low	37.4	Very low	123 Å²	123	160 Å²	160	58%	0.575	80%	0.8	S	S	*	*	S	Bend	trans	-131	26.5	-165.6	-149.6	168.3	168.7	0	0	112	R590	R590-E593 IonicContact CZ-OE1 3.76Å; R590-E593 IonicContact CZ-OE2 3.26Å; R590-E593 VanDerWaalsContact CZ-OE2 3.26Å; R590-E593 IonicContact NE-OE1 3.92Å; R590-E593 IonicContact NE-OE2 2.68Å; R590-E593 PolarHBondContact NE-OE2 3.09Å; R590-E593 VanDerWaalsContact NH2-CD 3.29Å; R590-E593 IonicContact NH2-OE1 3.81Å; R590-E593 PolarHBondContact NH2-OE1 3.14Å; R590-E593 IonicContact NH2-OE2 3.79Å; R590-E593 PolarHBondContact NH2-OE2 2.91Å
594	R	41	Very low	37.9	Very low	215 Å²	215	158.6 Å²	158.6	81%	0.811	79%	0.793	S	S	*	*	S	Bend	trans	-133.8	-3.2	177.9	-95.4	-172.6	174.1	-179.2	-1.2	115.8
595	E	40.4	Very low	38.4	Very low	182 Å²	182	165.4 Å²	165.4	85%	0.85	80%	0.797	S	S	*	*	S	Bend	trans	-102.6	-7.3	178.4	-69.8	-174.4	125.7	0	0	114.1
596	Q	41.7	Very low	38.6	Very low	161 Å²	161	166.7 Å²	166.7	75%	0.752	79%	0.793	S	S	*	*	S	Bend	trans	-89.6	-36.8	173.3	-72.8	-178	-24.1	0	0	112.6	H598 N599	Q596-H598 PolarHBondContact O-N 2.91Å; Q596-N599 PolarHBondContact O-N 2.79Å; Q596-N599 VanDerWaalsContact O-N 3.1Å
597	D	40.1	Very low	38.8	Very low	129 Å²	129	165.3 Å²	165.3	69%	0.69	79%	0.787	S	S	*	*	H	α-helix	trans	-64.8	-24.8	-173.4	-152.1	16.3	0	0	0	113.6
598	H	42.7	Very low	38.9	Very low	168 Å²	168	169.5 Å²	169.5	78%	0.778	79%	0.785	S	S	*	*	H	α-helix	trans	-80.3	-12.8	177.1	-76.9	-65.5	0	0	0	114.8	Q596	Q596-H598 PolarHBondContact O-N 2.91Å
599	N	45.4	Very low	38.8	Very low	131 Å²	131	169.3 Å²	169.3	70%	0.701	78%	0.784	S	S	*	*	H	α-helix	trans	-97.7	-22.4	-176.3	-157.7	13	0	0	0	113.6	Q596	Q596-N599 PolarHBondContact O-N 2.79Å; Q596-N599 VanDerWaalsContact O-N 3.1Å
600	E	41.4	Very low	38.7	Very low	142 Å²	142	169.9 Å²	169.9	66%	0.664	79%	0.787	S	S	*	*	H	α-helix	trans	-82.1	-32.8	178.9	-59.1	-149.3	126	0	0	112.8	N602 K603	E600-N602 PolarHBondContact O-N 3.1Å; E600-N602 VanDerWaalsContact O-N 3.1Å; E600-K603 PolarHBondContact O-N 2.95Å
601	R	43.8	Very low	38.5	Very low	231 Å²	231	172 Å²	172	87%	0.872	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-14.5	-171.5	-148.3	172.6	-159.9	-100.5	1.6	115.2
602	N	41.2	Very low	38.7	Very low	158 Å²	158	171.8 Å²	171.8	85%	0.845	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	6.2	175.2	-154.4	24.7	0	0	0	113.7	E600	E600-N602 PolarHBondContact O-N 3.1Å; E600-N602 VanDerWaalsContact O-N 3.1Å
603	K	40.2	Very low	38.4	Very low	186 Å²	186	168.3 Å²	168.3	81%	0.809	79%	0.786	S	S	*	*	S	Bend	trans	-107.9	-0.6	-177.7	-139.1	172.2	-173.7	176.3	0	114.4	E600	E600-K603 PolarHBondContact O-N 2.95Å
604	Q	41.1	Very low	37.9	Very low	171 Å²	171	172.5 Å²	172.5	80%	0.799	80%	0.797	S	S	*	*	S	Bend	trans	-124.4	42.1	-176.4	-63.8	-168.9	0.7	0	0	114
605	R	41.1	Very low	37.3	Very low	245 Å²	245	168.1 Å²	168.1	93%	0.925	79%	0.789	S	S	*	*	S	Bend	trans	-149.3	37.6	169	-133.8	171.8	-168.4	-97.9	0.1	118.2
606	S	33.1	Very low	36.9	Very low	105 Å²	105	166.5 Å²	166.5	73%	0.734	78%	0.782	S	S	*	*	S	Bend	trans	-150.3	130.9	154.6	-167.4	0	0	0	0	111.5
607	H	34.3	Very low	36.2	Very low	179 Å²	179	166.5 Å²	166.5	83%	0.829	78%	0.781	S	S	*	*			trans	111.3	74.8	176.5	-66.3	-60.9	0	0	0	118.1
608	H	32.5	Very low	35.7	Very low	166 Å²	166	167.1 Å²	167.1	77%	0.769	78%	0.78	S	S	*	*			trans	-158.2	138.5	148.9	-92.5	26	0	0	0	105.1
609	H	32.3	Very low	35.2	Very low	167 Å²	167	165.9 Å²	165.9	77%	0.773	77%	0.774	S	S	*	*			cis	-152	164.1	-6.4	-106.7	-54.1	0	0	0	110
610	H	32.8	Very low	34.4	Very low	188 Å²	188	165.9 Å²	165.9	87%	0.87	77%	0.77	S	S	*	*			trans	-77.4	154.6	170.9	-80.1	-68.4	0	0	0	113.3
611	R	29.7	Very low	33.8	Very low	241 Å²	241	167.4 Å²	167.4	91%	0.909	77%	0.77	S	S	*	*			trans	-149.9	170.6	152.8	-112.1	-161.2	168	-166.4	-4.4	110.6
612	P	39.5	Very low	33.2	Very low	118 Å²	118	163.3 Å²	163.3	77%	0.766	76%	0.761	S	S	*	*				-122.7	-163.4	-123.4	42.6	-27.3	0	0	0	115.3
613	T	31.6	Very low	32.7	Very low	129 Å²	129	167.3 Å²	167.3	79%	0.791	76%	0.764	S	S	*	*			trans	-102.8	171.6	-169.6	45.9	0	0	0	0	115.1
614	R	29.5	Very low	32.4	Very low	210 Å²	210	163.9 Å²	163.9	79%	0.792	76%	0.755	S	S	*	*			trans	78.7	150.3	168.8	-82.1	-173.4	124.8	122.4	4.4	117.5
615	D	28.2	Very low	31.9	Very low	123 Å²	123	167.2 Å²	167.2	66%	0.658	76%	0.76	S	S	*	*			cis	-138	-148.8	13.6	-109.1	-43.3	0	0	0	114.5
616	H	31.8	Very low	31.8	Very low	149 Å²	149	162 Å²	162	69%	0.69	75%	0.75	S	S	*	*			trans	-110.9	-178.8	-158	-80	-50.4	0	0	0	118.5
617	H	28.9	Very low	31.8	Very low	160 Å²	160	166.8 Å²	166.8	74%	0.741	75%	0.753	S	S	*	*			trans	89.4	152.8	160	-49.6	-56.1	0	0	0	118.2
618	H	29.4	Very low	31.8	Very low	142 Å²	142	165 Å²	165	66%	0.657	74%	0.744	S	S	*	*			cis	-166.8	148.4	-31	-111.8	-53.2	0	0	0	112
619	H	31.1	Very low	31.9	Very low	142 Å²	142	165.8 Å²	165.8	66%	0.657	74%	0.741	S	S	*	*			trans	66.1	148.7	145.1	-77.4	-63.8	0	0	0	125.7
620	H	28.3	Very low	32	Very low	132 Å²	132	164 Å²	164	61%	0.611	74%	0.737	S	S	*	*			trans	73	145.9	156	-67.6	-55.5	0	0	0	120
621	Y	30	Very low	32.2	Very low	174 Å²	174	166.9 Å²	166.9	68%	0.682	74%	0.74	S	S	*	*			cis	-149.3	157.8	-2.3	-121.6	-51.5	0	0	0	112.8
622	E	31.5	Very low	32.3	Very low	144 Å²	144	164.9 Å²	164.9	67%	0.673	74%	0.741	S	S	*	*			trans	-16.7	152.2	165.7	-72	155.1	-166.1	0	0	123
623	R	29.7	Very low	32	Very low	242 Å²	242	163 Å²	163	91%	0.913	74%	0.742	S	S	*	*				-158.6	140.3	110	-179.8	161.6	-77.7	-167.3	-3.8	113
624	D	34.8	Very low	32.2	Very low	114 Å²	114	165.7 Å²	165.7	61%	0.61	75%	0.746	S	S	*	*			trans	-95.6	172.2	-171.3	-25	-99.5	0	0	0	114.9
625	R	31.1	Very low	32.4	Very low	242 Å²	242	162.4 Å²	162.4	91%	0.913	75%	0.749	S	S	*	*				-170.3	126.6	120.6	-108.1	179.3	-170.1	-169.8	3.5	115.4
626	D	37.7	Very low	33	Very low	134 Å²	134	160.5 Å²	160.5	72%	0.717	75%	0.75	S	S	*	*			trans	-94.7	153.4	162.2	-51.5	-78.6	0	0	0	113.6
627	R	32.9	Very low	34.1	Very low	207 Å²	207	158.8 Å²	158.8	78%	0.781	75%	0.753	S	S	*	*			trans	166.3	127.4	135.2	-89.5	160.2	-169.3	81.3	-1.2	109.2
628	E	35.7	Very low	34.4	Very low	141 Å²	141	160.8 Å²	160.8	66%	0.659	76%	0.759	S	S	*	*				75	123.6	68.5	-97	-158	130.8	0	0	116.3
629	R	33.7	Very low	34.8	Very low	183 Å²	183	163.4 Å²	163.4	69%	0.691	77%	0.769	S	S	*	*			trans	78.9	131.7	143.4	-75.9	-176.2	-153.6	-92.2	-11.5	123.8
630	D	35	Very low	34.8	Very low	130 Å²	130	168.1 Å²	168.1	70%	0.695	78%	0.781	S	S	*	*			trans	61.6	113.9	131.6	-48.6	-15.3	0	0	0	121.2
631	R	35.3	Very low	34.9	Very low	247 Å²	247	165 Å²	165	93%	0.932	78%	0.784	S	S	*	*				-153	149	122.8	-121.9	-177.1	-176.1	100.1	2.6	113.5
632	E	33.2	Very low	35.2	Very low	200 Å²	200	165.9 Å²	165.9	94%	0.935	79%	0.794	S	S	*	*			trans	-87.8	166.4	-177.2	-59.6	161	121.5	0	0	112.6
633	G	33.8	Very low	35.3	Very low	77 Å²	77	163.9 Å²	163.9	79%	0.794	80%	0.803	S	S	*	*			trans	-165.9	92.1	170.7	0	0	0	0	0	111.7
634	E	33.9	Very low	35.4	Very low	186 Å²	186	156.1 Å²	156.1	87%	0.869	80%	0.798	S	S	*	*			trans	-65.3	153.3	168.7	-71.1	-168.7	92.5	0	0	111.9
635	V	34.8	Very low	35.3	Very low	141 Å²	141	159.4 Å²	159.4	86%	0.855	81%	0.81	S	S	*	*				-165.5	130	103.9	160.7	0	0	0	0	108.4
636	A	41.1	Very low	35.6	Very low	83 Å²	83	153.5 Å²	153.5	69%	0.686	80%	0.8	S	S	*	*			trans	-99.6	155.2	172.1	0	0	0	0	0	111.7
637	P	54.8	Low	35.2	Very low	113 Å²	113	158.9 Å²	158.9	73%	0.734	81%	0.811	S	S	*	*				-147.6	175.5	98.1	36.8	-18.7	0	0	0	113.2
638	K	34.8	Very low	35.4	Very low	202 Å²	202	154.6 Å²	154.6	88%	0.878	81%	0.807	S	S	*	*			cis	-154.4	172.4	1.1	-128.3	160.8	-171.7	171.1	0	110.5
639	K	38.1	Very low	35.3	Very low	197 Å²	197	159.1 Å²	159.1	86%	0.857	82%	0.818	S	S	*	*			trans	-66.7	172.8	177.3	-50.7	171.8	-179.6	177.5	0	111.8
640	R	31.6	Very low	35.5	Very low	242 Å²	242	157.9 Å²	157.9	91%	0.913	83%	0.825	S	S	*	*			cis	-174.5	151.3	30.2	-168.3	-173.7	-175.7	-159.4	0.8	113.1
641	G	30.6	Very low	35.6	Very low	66 Å²	66	156 Å²	156	68%	0.68	82%	0.823	S	S	*	*			trans	81.3	136.2	151.4	0	0	0	0	0	116.7
642	E	34.4	Very low	35.7	Very low	192 Å²	192	151.7 Å²	151.7	90%	0.897	81%	0.813	S	S	*	*			cis	104.7	129.9	15.7	-169.1	175.6	-152.5	0	0	115.4
643	A	34.7	Very low	36.1	Very low	103 Å²	103	150.3 Å²	150.3	85%	0.851	81%	0.81	S	S	*	*			trans	68	148.9	172.2	0	0	0	0	0	118.9
644	G	31.2	Very low	36.7	Very low	79 Å²	79	154.1 Å²	154.1	81%	0.814	81%	0.807	S	S	*	*			trans	143.2	81.8	164.5	0	0	0	0	0	117.5
645	E	33.8	Very low	37.2	Very low	182 Å²	182	157.5 Å²	157.5	85%	0.85	82%	0.823	S	S	*	*			trans	-15.4	138.4	161.6	-62.3	172.3	132.4	0	0	121.6
646	V	35.8	Very low	37.4	Very low	118 Å²	118	158.3 Å²	158.3	72%	0.715	82%	0.821	S	S	*	*				32.9	121	125.1	-175.8	0	0	0	0	119
647	W	30.2	Very low	37.2	Very low	247 Å²	247	162.3 Å²	162.3	94%	0.936	83%	0.828	S	S	*	*			trans	-147.2	143.8	134.7	-91.6	100.4	0	0	0	112.1
648	V	37.8	Very low	36.2	Very low	118 Å²	118	165 Å²	165	72%	0.715	83%	0.833	S	S	*	*			trans	-128.9	125.3	175.9	171.6	0	0	0	0	108.7
649	R	33	Very low	36.3	Very low	235 Å²	235	162.8 Å²	162.8	89%	0.887	83%	0.831	S	S	*	*			trans	176.2	131.7	136.2	-105.2	168.6	177.8	150.8	1.8	114.2
650	D	38.4	Very low	36.1	Very low	157 Å²	157	160.7 Å²	160.7	84%	0.84	83%	0.829	S	S	*	*			trans	-67.4	156.5	149.6	-70	-75.6	0	0	0	111.8
651	S	37.2	Very low	36.5	Very low	92 Å²	92	155.3 Å²	155.3	64%	0.643	82%	0.823	S	S	*	*			trans	-162	121.6	153	-91.9	0	0	0	0	114.8
652	H	36.1	Very low	36.9	Very low	156 Å²	156	161.6 Å²	161.6	72%	0.722	83%	0.834	S	S	*	*			trans	64.1	110.3	138.9	-65.4	85.8	0	0	0	120.5
653	I	42.5	Very low	37.1	Very low	170 Å²	170	159.3 Å²	159.3	87%	0.872	83%	0.829	S	S	*	*			trans	-129.2	140.7	135.2	-72.5	-173.9	0	0	0	107.7
654	H	46.5	Very low	37.3	Very low	158 Å²	158	164 Å²	164	73%	0.731	83%	0.827	S	S	*	*			trans	-80.3	163.2	173.5	-70.9	-36.1	0	0	0	110.7
655	Q	44.8	Very low	37.8	Very low	256 Å²	256	171.7 Å²	171.7	100%	1.196	83%	0.828	S	S	*	*			cis	-150.7	0	28.7	-175.5	164	77.6	0	0	111.9

Retrieved 655 of 655 residues in 1277.9 ms (Link to these results)

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