A0A087XLX5_POEFO Loading...

Vitronectin a

AlphaFold DB , UniProt , Accession A0A087XLX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 572 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	31.8	Very low	34.2	Very low	232 Å²	232	142.3 Å²	142.3	100%	1.143	85%	0.849	S	S	*	*				0	137.7	0	-75.2	169	161.1	0	0	107.8
2	F	30.3	Very low	34.2	Very low	204 Å²	204	143.8 Å²	143.8	90%	0.895	85%	0.848	S	S	*	*			trans	-147.8	111.7	176.1	-84.1	-72.4	0	0	0	110.9
3	P	45.2	Very low	34.7	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	84%	0.836	S	S	*	*			trans	-90.2	148.8	150.8	0.1	21.1	0	0	0	109.2
4	I	34.3	Very low	34.8	Very low	146 Å²	146	138 Å²	138	75%	0.749	82%	0.823	S	S	*	*			cis	88.3	125.3	39.2	-63.7	169	0	0	0	113.4
5	T	36.1	Very low	35.1	Very low	148 Å²	148	141.5 Å²	141.5	91%	0.908	83%	0.827	S	S	*	*			trans	65	148.8	169.4	49.3	0	0	0	0	120
6	G	30.4	Very low	35.6	Very low	71 Å²	71	138.1 Å²	138.1	73%	0.732	81%	0.813	S	S	*	*			trans	162.1	56.3	174.2	0	0	0	0	0	115.3
7	A	35	Very low	36.2	Very low	102 Å²	102	136.4 Å²	136.4	84%	0.843	81%	0.805	S	S	*	*			trans	-87.2	129.3	174.6	0	0	0	0	0	111.3
8	H	37.3	Very low	36.6	Very low	188 Å²	188	132.7 Å²	132.7	87%	0.87	79%	0.786	S	S	*	*			trans	-122.9	114.7	171.9	-82.7	-82.4	0	0	0	110.6
9	G	30.6	Very low	37	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	79%	0.788	S	S	*	*			trans	-83.7	151.4	166.7	0	0	0	0	0	111.3
10	L	33.8	Very low	37.7	Very low	179 Å²	179	138.5 Å²	138.5	94%	0.937	79%	0.787	S	S	*	*			trans	-107.9	141.4	163.2	-85.7	166.1	0	0	0	109.6
11	S	31.3	Very low	38.3	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-76.7	138.9	-164.4	51.9	0	0	0	0	113.8
12	L	34.1	Very low	39.4	Very low	160 Å²	160	137.3 Å²	137.3	84%	0.838	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-57.6	135.9	160.1	-71.7	165.4	0	0	0	110.4
13	P	40.6	Very low	40.6	Very low	106 Å²	106	129.8 Å²	129.8	69%	0.688	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-66.3	152.9	161.9	29.9	-33.4	0	0	0	110.2
14	P	36	Very low	41.1	Very low	101 Å²	101	127.3 Å²	127.3	66%	0.656	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-67.2	148.1	-170.5	26.5	-35.1	0	0	0	113.5	S16	P14-S16 PolarHBondContact O-N 3.04Å
15	Q	39.6	Very low	42.3	Very low	191 Å²	191	125.2 Å²	125.2	89%	0.893	72%	0.72	S	S	*	*	S	Bend	trans	-70	15.9	-174.2	-63.8	-178.5	-24.4	0	0	115.2
16	S	43.2	Very low	43.7	Very low	86 Å²	86	125.2 Å²	125.2	60%	0.601	71%	0.707	S	S	*	*			trans	-111.5	37.3	-158.2	61.9	0	0	0	0	115.3	P14	P14-S16 PolarHBondContact O-N 3.04Å
17	V	46.7	Very low	45.5	Very low	110 Å²	110	127.4 Å²	127.4	67%	0.667	70%	0.701	S	S	*	*	S	Bend	trans	-128.2	-16.8	177.9	-166.7	0	0	0	0	113.9	W19	V17-W19 PolarHBondContact O-N 2.9Å
18	C	43.4	Very low	47	Very low	69 Å²	69	125 Å²	125	47%	0.466	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	-8.4	-179.3	-74.6	0	0	0	0	115.1
19	W	43.7	Very low	48.6	Very low	220 Å²	220	120.6 Å²	120.6	83%	0.833	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	16.8	-169.8	-83	96.3	0	0	0	115.5	V17	V17-W19 PolarHBondContact O-N 2.9Å
20	Q	50.2	Low	50.8	Low	162 Å²	162	121.4 Å²	121.4	76%	0.757	65%	0.646	S	S	*	*	S	Bend	trans	-105.9	-7.1	-177.3	-134	70.9	34.6	0	0	116.1
21	N	50	Low	52.6	Low	118 Å²	118	117.4 Å²	117.4	63%	0.631	63%	0.625	S	S	*	*			trans	-160.3	144.8	176.7	-130.1	-41.4	0	0	0	115.3	G23 S24	N21-G23 PolarHBondContact O-N 3.24Å; N21-G23 VanDerWaalsContact O-N 3.14Å; N21-S24 PolarHBondContact O-N 2.87Å
22	R	55.2	Low	54.5	Low	227 Å²	227	117.6 Å²	117.6	86%	0.857	62%	0.617	S	S	*	*	H	α-helix	trans	-63.1	-17.1	177.2	-90.6	-176.8	170.7	180	-2.5	113.8
23	G	56.3	Low	56.1	Low	46 Å²	46	115.3 Å²	115.3	47%	0.474	61%	0.605	S	S	.	*	H	α-helix	trans	-74.8	-53.1	173.1	0	0	0	0	0	113	N21 M25 K26 L27	N21-G23 PolarHBondContact O-N 3.24Å; N21-G23 VanDerWaalsContact O-N 3.14Å; G23-M25 VanDerWaalsContact C-N 3.31Å; G23-M25 PolarHBondContact O-N 2.98Å; G23-K26 WeakPolarHBondContact O-CB 3.4Å; G23-K26 PolarHBondContact O-N 2.86Å; G23-K26 VanDerWaalsContact O-N 3.09Å; G23-L27 PolarHBondContact O-N 2.9Å; G23-L27 VanDerWaalsContact O-N 3.14Å
24	S	56.5	Low	57.3	Low	58 Å²	58	115.2 Å²	115.2	41%	0.406	60%	0.598	S	S	.	*	H	α-helix	trans	-60.5	-39.3	-174.8	-47	0	0	0	0	112.7	N21 K26 L27 C28	N21-S24 PolarHBondContact O-N 2.87Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 2.91Å; S24-L27 WeakPolarHBondContact O-CB 3.39Å; S24-L27 PolarHBondContact O-N 2.81Å; S24-L27 VanDerWaalsContact O-N 3.09Å; S24-C28 PolarHBondContact O-N 3.32Å
25	M	58.3	Low	58.4	Low	103 Å²	103	116 Å²	116	51%	0.507	60%	0.596	S	S	.	*	H	α-helix	trans	-62.8	-34.7	178.3	-147.9	-178.7	91.1	0	0	112.4	G23 L29	G23-M25 VanDerWaalsContact C-N 3.31Å; G23-M25 PolarHBondContact O-N 2.98Å; M25-L29 WeakPolarHBondContact O-CG 3.48Å; M25-L29 PolarHBondContact O-N 2.82Å
26	K	66.1	Low	59.3	Low	147 Å²	147	109 Å²	109	64%	0.639	57%	0.568	S	S	*	*	H	α-helix	trans	-69.7	-39.7	172.3	-69.6	-178.3	174.5	-171.5	0	111.9	G23 S24 L29 I30	G23-K26 WeakPolarHBondContact O-CB 3.4Å; G23-K26 PolarHBondContact O-N 2.86Å; G23-K26 VanDerWaalsContact O-N 3.09Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 2.91Å; K26-L29 PolarHBondContact O-N 2.99Å; K26-I30 VanDerWaalsContact O-CG1 3.29Å; K26-I30 WeakPolarHBondContact O-CG1 3.36Å; K26-I30 PolarHBondContact O-N 2.78Å
27	L	68.6	Low	59.9	Low	117 Å²	117	107.6 Å²	107.6	61%	0.613	56%	0.561	S	S	*	*	H	α-helix	trans	-63.1	-44	179.5	-140.5	91	0	0	0	111.5	G23 S24 I30 L31	G23-L27 PolarHBondContact O-N 2.9Å; G23-L27 VanDerWaalsContact O-N 3.14Å; S24-L27 WeakPolarHBondContact O-CB 3.39Å; S24-L27 PolarHBondContact O-N 2.81Å; S24-L27 VanDerWaalsContact O-N 3.09Å; L27-I30 PolarHBondContact O-N 3.44Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 2.99Å
28	C	65.2	Low	60.2	Low	53 Å²	53	109.9 Å²	109.9	36%	0.358	56%	0.562	S	S	.	*	H	α-helix	trans	-65	-39.6	175.3	-65.9	0	0	0	0	112.5	S24 L31 L32	S24-C28 PolarHBondContact O-N 3.32Å; C28-L31 PolarHBondContact O-N 3.23Å; C28-L32 WeakPolarHBondContact O-CB 3.45Å; C28-L32 WeakPolarHBondContact O-CG 3.49Å; C28-L32 PolarHBondContact O-N 3.12Å
29	L	72	Confident	60.5	Low	94 Å²	94	109.3 Å²	109.3	49%	0.492	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-40.7	174.3	-77.9	167.8	0	0	0	112.3	M25 K26 L32 L33	M25-L29 WeakPolarHBondContact O-CG 3.48Å; M25-L29 PolarHBondContact O-N 2.82Å; K26-L29 PolarHBondContact O-N 2.99Å; L29-L32 PolarHBondContact O-N 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.17Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.04Å; L29-L33 PolarHBondContact O-N 3.02Å
30	I	75.9	Confident	60.7	Low	94 Å²	94	105.1 Å²	105.1	48%	0.482	55%	0.551	S	S	.	*	H	α-helix	trans	-65.8	-42	175.8	-69.6	163.1	0	0	0	110.8	K26 L27 L33 L34	K26-I30 VanDerWaalsContact O-CG1 3.29Å; K26-I30 WeakPolarHBondContact O-CG1 3.36Å; K26-I30 PolarHBondContact O-N 2.78Å; L27-I30 PolarHBondContact O-N 3.44Å; I30-L33 PolarHBondContact O-N 3.5Å; I30-L34 HydrophobicContact CG2-CD1 3.84Å; I30-L34 HydrophobicContact CG2-CG 4.39Å; I30-L34 WeakPolarHBondContact O-CB 3Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.36Å; I30-L34 PolarHBondContact O-N 3.26Å
31	L	71.9	Confident	60.5	Low	95 Å²	95	100.6 Å²	100.6	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-64.7	-40.1	175.7	-78.1	163.9	0	0	0	112.5	L27 C28 L34 L35	L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 2.99Å; C28-L31 PolarHBondContact O-N 3.23Å; L31-L34 PolarHBondContact O-N 3.22Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.42Å
32	L	70.7	Confident	60.3	Low	113 Å²	113	102.7 Å²	102.7	59%	0.592	55%	0.547	S	S	*	.	H	α-helix	trans	-65.3	-41	173.6	-78.6	164	0	0	0	112.2	C28 L29 L35 S36	C28-L32 WeakPolarHBondContact O-CB 3.45Å; C28-L32 WeakPolarHBondContact O-CG 3.49Å; C28-L32 PolarHBondContact O-N 3.12Å; L29-L32 PolarHBondContact O-N 3.3Å; L32-L35 PolarHBondContact O-N 2.03Å; L32-S36 PolarHBondContact O-N 2.87Å; L32-S36 PolarHBondContact O-OG 3.28Å
33	L	68.4	Low	60	Low	112 Å²	112	98.4 Å²	98.4	59%	0.586	54%	0.537	S	S	*	.	H	α-helix	trans	-66.7	-34.1	175	-75.8	166.6	0	0	0	112.7	L29 I30 S36 A37	L29-L33 WeakPolarHBondContact O-CB 3.17Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.04Å; L29-L33 PolarHBondContact O-N 3.02Å; I30-L33 PolarHBondContact O-N 3.5Å; L33-S36 PolarHBondContact O-OG 3.32Å; L33-A37 WeakPolarHBondContact O-CB 3.37Å; L33-A37 PolarHBondContact O-N 2.94Å
34	L	66.1	Low	59.6	Low	104 Å²	104	102.6 Å²	102.6	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-75	-30	174.5	-72.4	169.5	0	0	0	112.5	I30 L31 K38	I30-L34 HydrophobicContact CG2-CD1 3.84Å; I30-L34 HydrophobicContact CG2-CG 4.39Å; I30-L34 WeakPolarHBondContact O-CB 3Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.36Å; I30-L34 PolarHBondContact O-N 3.26Å; L31-L34 PolarHBondContact O-N 3.22Å; L34-K38 WeakPolarHBondContact O-CG 3.37Å; L34-K38 PolarHBondContact O-N 3.06Å; L34-K38 VanDerWaalsContact O-N 3.16Å
35	L	58.4	Low	59.1	Low	117 Å²	117	108 Å²	108	61%	0.613	56%	0.563	S	S	*	*	H	α-helix	trans	-73	-43.1	173	-77.4	164.5	0	0	0	111.6	L31 L32 K38 A39	L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.42Å; L32-L35 PolarHBondContact O-N 2.03Å; L35-K38 PolarHBondContact O-N 3.36Å; L35-A39 PolarHBondContact O-N 2.9Å; L35-A39 VanDerWaalsContact O-N 3.12Å
36	S	58.1	Low	58.9	Low	44 Å²	44	105.4 Å²	105.4	31%	0.308	55%	0.553	S	S	.	*	H	α-helix	trans	-67.8	-41.1	173.9	63.4	0	0	0	0	112	L32 L33 K38 A39 F40	L32-S36 PolarHBondContact O-N 2.87Å; L32-S36 PolarHBondContact O-OG 3.28Å; L33-S36 PolarHBondContact O-OG 3.32Å; S36-K38 PolarHBondContact O-N 3.18Å; S36-A39 PolarHBondContact O-N 3.45Å; S36-A39 VanDerWaalsContact O-N 3.11Å; S36-F40 WeakPolarHBondContact O-CD2 3.4Å; S36-F40 PolarHBondContact O-N 2.78Å
37	A	56.6	Low	58.8	Low	56 Å²	56	103.3 Å²	103.3	46%	0.463	55%	0.545	S	S	.	.	H	α-helix	trans	-61.8	-27.4	174.6	0	0	0	0	0	113.3	L33 A41	L33-A37 WeakPolarHBondContact O-CB 3.37Å; L33-A37 PolarHBondContact O-N 2.94Å; A37-A41 WeakPolarHBondContact O-CB 3.46Å; A37-A41 PolarHBondContact O-N 2.74Å
38	K	53.5	Low	59.1	Low	158 Å²	158	99.8 Å²	99.8	69%	0.687	53%	0.53	S	S	*	.	H	α-helix	trans	-74.5	-42.1	170.5	-81.7	-171.5	173.1	-165.2	0	112.8	L34 L35 S36 F40 A41	L34-K38 WeakPolarHBondContact O-CG 3.37Å; L34-K38 PolarHBondContact O-N 3.06Å; L34-K38 VanDerWaalsContact O-N 3.16Å; L35-K38 PolarHBondContact O-N 3.36Å; S36-K38 PolarHBondContact O-N 3.18Å; K38-F40 VanDerWaalsContact C-N 3.34Å; K38-F40 PolarHBondContact O-N 2.84Å; K38-A41 WeakPolarHBondContact O-CB 2.95Å; K38-A41 PolarHBondContact O-N 3.48Å; K38-A41 VanDerWaalsContact O-N 3.1Å
39	A	49.8	Very low	59.7	Low	58 Å²	58	97.2 Å²	97.2	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-59.4	-45.4	175.1	0	0	0	0	0	111.6	L35 S36 A41 E42	L35-A39 PolarHBondContact O-N 2.9Å; L35-A39 VanDerWaalsContact O-N 3.12Å; S36-A39 PolarHBondContact O-N 3.45Å; S36-A39 VanDerWaalsContact O-N 3.11Å; A39-A41 PolarHBondContact O-N 3.32Å; A39-E42 PolarHBondContact O-N 3.3Å
40	F	47.8	Very low	59.8	Low	132 Å²	132	96.6 Å²	96.6	58%	0.579	51%	0.51	S	S	*	.	H	α-helix	trans	-70.3	-8.1	176.2	-65.5	-56.5	0	0	0	114.6	S36 K38 I44	S36-F40 WeakPolarHBondContact O-CD2 3.4Å; S36-F40 PolarHBondContact O-N 2.78Å; K38-F40 VanDerWaalsContact C-N 3.34Å; K38-F40 PolarHBondContact O-N 2.84Å; F40-I44 VanDerWaalsContact O-CD1 3.29Å; F40-I44 WeakPolarHBondContact O-CD1 3.07Å; F40-I44 WeakPolarHBondContact O-CG1 3.34Å
41	A	44.4	Very low	59.2	Low	66 Å²	66	99.5 Å²	99.5	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-87.2	-23.4	179.1	0	0	0	0	0	113.6	A37 K38 A39	A37-A41 WeakPolarHBondContact O-CB 3.46Å; A37-A41 PolarHBondContact O-N 2.74Å; K38-A41 WeakPolarHBondContact O-CB 2.95Å; K38-A41 PolarHBondContact O-N 3.48Å; K38-A41 VanDerWaalsContact O-N 3.1Å; A39-A41 PolarHBondContact O-N 3.32Å
42	E	47.2	Very low	59.1	Low	163 Å²	163	96.2 Å²	96.2	76%	0.762	51%	0.508	S	S	*	.	H	α-helix	trans	-89.5	-28.4	179.9	-73.9	-175.7	128.5	0	0	113.2	A39	A39-E42 PolarHBondContact O-N 3.3Å
43	E	48.1	Very low	58.9	Low	137 Å²	137	92.4 Å²	92.4	64%	0.64	49%	0.49	S	S	*	.	S	Bend	trans	-80.4	-18.7	-177.8	-65.3	-175.1	145.5	0	0	114.8	T46	E43-T46 PolarHBondContact O-OG1 2.9Å
44	I	48.1	Very low	58.6	Low	133 Å²	133	94.6 Å²	94.6	68%	0.682	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-25	-175	-64.8	176.3	0	0	0	112.3	F40	F40-I44 VanDerWaalsContact O-CD1 3.29Å; F40-I44 WeakPolarHBondContact O-CD1 3.07Å; F40-I44 WeakPolarHBondContact O-CG1 3.34Å
45	F	46	Very low	58.4	Low	173 Å²	173	93.3 Å²	93.3	76%	0.759	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	5.6	-178.1	-122	-78.2	0	0	0	114
46	T	53.5	Low	58.7	Low	48 Å²	48	90.3 Å²	90.3	29%	0.294	49%	0.488	S	S	.	.	S	Bend	trans	-96.2	-23	-175.1	40.5	0	0	0	0	115	E43	E43-T46 PolarHBondContact O-OG1 2.9Å
47	E	64.3	Low	59.6	Low	102 Å²	102	94.8 Å²	94.8	48%	0.477	50%	0.502	S	S	.	.	S	Bend	trans	-116.5	1.2	-166	-54	-137.6	122.6	0	0	115.5	T62 C76	E47-T62 WeakPolarHBondContact OE1-CB 3.45Å; E47-T62 PolarHBondContact OE1-OG1 2.89Å; E47-C76 WeakPolarHBondContact O-CB 3.14Å
48	S	75.1	Confident	60.5	Low	43 Å²	43	94.8 Å²	94.8	30%	0.301	49%	0.493	S	S	.	.			trans	-96	149.1	174.5	173.8	0	0	0	0	111.8	L50 R52 D78	S48-L50 PolarHBondContact OG-N 2.93Å; S48-L50 VanDerWaalsContact OG-N 3.15Å; S48-R52 WeakPolarHBondContact O-CD 3.3Å; S48-R52 PolarHBondContact O-NH1 3.35Å; S48-D78 VanDerWaalsContact CA-OD2 3.25Å; S48-D78 WeakPolarHBondContact CA-OD2 3.31Å; S48-D78 VanDerWaalsContact CB-OD2 3.27Å; S48-D78 WeakPolarHBondContact CB-OD2 3.41Å; S48-D78 PolarHBondContact OG-OD2 2.86Å
49	C	76.8	Confident	61.6	Low	0 Å²	0	91.3 Å²	91.3	0%	0	49%	0.493	C	S	.	.			trans	-87.5	4.7	171.1	-75	0	0	0	0	115.4	D51 R52 C65 C76 D78 V82	C49-D51 PolarHBondContact O-N 2.79Å; C49-R52 PolarHBondContact O-N 2.75Å; C49-C65 WeakPolarHBondContact CA-SG 3.48Å; C49-C65 HydrophobicContact CB-CB 3.88Å; C49-C65 WeakPolarHBondContact CB-SG 3.03Å; C49-C65 WeakPolarHBondContact SG-CB 3.39Å; C49-C65 CovalentContact SG-SG 2.04Å; C49-C65 PolarHBondContact SG-SG 3.08Å; C49-C76 WeakPolarHBondContact SG-CB 3.31Å; C49-C76 VanDerWaalsContact SG-SG 3.65Å; C49-D78 VanDerWaalsContact N-CG 3.27Å; C49-D78 PolarHBondContact N-OD1 2.91Å; C49-D78 PolarHBondContact N-OD2 3.03Å; C49-V82 HydrophobicContact CB-CB 4.34Å; C49-V82 HydrophobicContact CB-CG1 4.29Å
50	L	74.4	Confident	62.8	Low	81 Å²	81	97.7 Å²	97.7	42%	0.424	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	127.9	175.6	-154.6	81.1	0	0	0	110.6	S48 R52 V82 M549	S48-L50 PolarHBondContact OG-N 2.93Å; S48-L50 VanDerWaalsContact OG-N 3.15Å; L50-R52 PolarHBondContact O-N 3.02Å; L50-V82 HydrophobicContact CD1-CG1 4.35Å; L50-M549 HydrophobicContact CD1-CE 4.08Å
51	D	63.8	Low	64.3	Low	155 Å²	155	96 Å²	96	83%	0.829	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	17.1	-173.5	-56	-36.1	0	0	0	115.6	C49	C49-D51 PolarHBondContact O-N 2.79Å
52	R	69.6	Low	65.9	Low	26 Å²	26	97.9 Å²	97.9	10%	0.098	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-10.5	-179.1	-75.9	177.4	60.3	-143.7	-1	115.1	S48 C49 L50 N55 C63 C65	S48-R52 WeakPolarHBondContact O-CD 3.3Å; S48-R52 PolarHBondContact O-NH1 3.35Å; C49-R52 PolarHBondContact O-N 2.75Å; L50-R52 PolarHBondContact O-N 3.02Å; R52-N55 WeakPolarHBondContact O-CB 3.3Å; R52-N55 PolarHBondContact O-N 3.23Å; R52-N55 PolarHBondContact O-ND2 3.1Å; R52-C63 PolarHBondContact NH2-O 3.18Å; R52-C65 HydrophobicContact CB-CB 4Å; R52-C65 VanDerWaalsContact CZ-SG 3.52Å
53	C	66.1	Low	67.6	Low	33 Å²	33	90.7 Å²	90.7	22%	0.223	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	150.6	174.3	-49.8	0	0	0	0	112.1	N55 C83	C53-N55 PolarHBondContact O-N 3.08Å; C53-N55 PolarHBondContact O-ND2 3.29Å; C53-C83 WeakPolarHBondContact CA-SG 3.41Å; C53-C83 HydrophobicContact CB-CB 3.84Å; C53-C83 WeakPolarHBondContact CB-SG 3.5Å; C53-C83 WeakPolarHBondContact SG-CA 3.23Å; C53-C83 WeakPolarHBondContact SG-CB 3.42Å; C53-C83 CovalentContact SG-SG 2.04Å; C53-C83 PolarHBondContact SG-SG 2.74Å
54	E	63.3	Low	69.4	Low	157 Å²	157	84.6 Å²	84.6	73%	0.734	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	-8.1	-177.2	-54.7	-172.9	150.8	0	0	116.4	G56	E54-G56 PolarHBondContact O-N 3.44Å
55	N	62.4	Low	70.8	Confident	78 Å²	78	78.4 Å²	78.4	42%	0.417	42%	0.416	S	S	.	.			trans	-73	101.7	170.1	-66.3	-89.7	0	0	0	109.6	R52 C53	R52-N55 WeakPolarHBondContact O-CB 3.3Å; R52-N55 PolarHBondContact O-N 3.23Å; R52-N55 PolarHBondContact O-ND2 3.1Å; C53-N55 PolarHBondContact O-N 3.08Å; C53-N55 PolarHBondContact O-ND2 3.29Å
56	G	64.6	Low	72.2	Confident	53 Å²	53	71 Å²	71	55%	0.546	38%	0.384	S	S	.	.			trans	-52.5	155.7	179.5	0	0	0	0	0	114.9	E54 Q58	E54-G56 PolarHBondContact O-N 3.44Å; G56-Q58 PolarHBondContact O-N 3.12Å
57	F	76.4	Confident	72.9	Confident	138 Å²	138	73.2 Å²	73.2	61%	0.605	40%	0.402	S	S	*	.			trans	-23.7	113.5	-170.4	-177.4	-103.7	0	0	0	116.7	A59 Q64	F57-A59 HydrophobicContact CD1-CB 4.39Å; F57-A59 HydrophobicContact CE1-CB 3.69Å; F57-A59 HydrophobicContact CZ-CB 4.33Å; F57-Q64 HydrophobicContact CD2-CG 3.94Å; F57-Q64 HydrophobicContact CE2-CG 4.07Å
58	Q	75.4	Confident	73.1	Confident	57 Å²	57	72.7 Å²	72.7	27%	0.266	40%	0.4	S	S	.	.			trans	-102	96.9	177.7	-61.6	-172.2	8.9	0	0	110.5	G56 Q60 R61 Q64	G56-Q58 PolarHBondContact O-N 3.12Å; Q58-Q60 PolarHBondContact O-N 3.22Å; Q58-R61 HydrophobicContact CB-CB 4.38Å; Q58-R61 HydrophobicContact CB-CG 3.75Å; Q58-R61 PolarHBondContact O-N 3.23Å; Q58-Q64 PolarHBondContact O-NE2 2.89Å; Q58-Q64 PolarHBondContact O-OE1 2.59Å
59	A	76.6	Confident	73	Confident	84 Å²	84	70.6 Å²	70.6	69%	0.694	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-0.7	-179.8	0	0	0	0	0	115.8	F57	F57-A59 HydrophobicContact CD1-CB 4.39Å; F57-A59 HydrophobicContact CE1-CB 3.69Å; F57-A59 HydrophobicContact CZ-CB 4.33Å
60	Q	75.7	Confident	72.6	Confident	193 Å²	193	73.7 Å²	73.7	90%	0.902	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	15.5	-176.2	-52.2	-175	29.5	0	0	112.2	Q58	Q58-Q60 PolarHBondContact O-N 3.22Å
61	R	78.1	Confident	72.1	Confident	95 Å²	95	78.1 Å²	78.1	36%	0.358	41%	0.411	S	S	.	.	S	Bend	trans	-122	148.1	-178.6	-63.1	-64.5	-170.8	169.2	-0.1	111.1	Q58 C63	Q58-R61 HydrophobicContact CB-CB 4.38Å; Q58-R61 HydrophobicContact CB-CG 3.75Å; Q58-R61 PolarHBondContact O-N 3.23Å; R61-C63 VanDerWaalsContact C-N 3.31Å; R61-C63 WeakPolarHBondContact CB-O 3.43Å
62	T	77.9	Confident	72.6	Confident	107 Å²	107	78.1 Å²	78.1	66%	0.656	40%	0.401	S	S	*	.	S	Bend	trans	-66.8	-33.6	172.2	46.7	0	0	0	0	112	E47	E47-T62 WeakPolarHBondContact OE1-CB 3.45Å; E47-T62 PolarHBondContact OE1-OG1 2.89Å
63	C	84.2	Confident	72.9	Confident	12 Å²	12	84.9 Å²	84.9	8%	0.081	43%	0.431	C	S	.	.	S	Bend	trans	-138.2	152.8	179.4	68.5	0	0	0	0	113	R52 R61 S74 C76	R52-C63 PolarHBondContact NH2-O 3.18Å; R61-C63 VanDerWaalsContact C-N 3.31Å; R61-C63 WeakPolarHBondContact CB-O 3.43Å; C63-S74 WeakPolarHBondContact CA-O 3.33Å; C63-C76 HydrophobicContact CB-CB 3.81Å; C63-C76 WeakPolarHBondContact CB-SG 3.28Å; C63-C76 VanDerWaalsContact SG-CA 3.5Å; C63-C76 WeakPolarHBondContact SG-CB 3.39Å; C63-C76 CovalentContact SG-SG 2.04Å; C63-C76 PolarHBondContact SG-SG 3.19Å
64	Q	85.1	Confident	73.7	Confident	8 Å²	8	85 Å²	85	4%	0.037	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-106.5	160.1	-173.9	-54.3	-56.2	-36.8	0	0	112.1	F57 Q58 C69 S74 C75 C76	F57-Q64 HydrophobicContact CD2-CG 3.94Å; F57-Q64 HydrophobicContact CE2-CG 4.07Å; Q58-Q64 PolarHBondContact O-NE2 2.89Å; Q58-Q64 PolarHBondContact O-OE1 2.59Å; Q64-C69 HydrophobicContact CB-CB 3.82Å; Q64-S74 PolarHBondContact N-O 3.06Å; Q64-C75 CarbonylContact O-C 3.37Å; Q64-C75 WeakPolarHBondContact O-CA 3.47Å; Q64-C76 PolarHBondContact O-N 2.92Å
65	C	78.7	Confident	74.5	Confident	4 Å²	4	79.5 Å²	79.5	3%	0.027	41%	0.41	C	S	.	.			trans	-133.9	18.6	-178.6	-57.8	0	0	0	0	112.9	C49 R52 C76	C49-C65 WeakPolarHBondContact CA-SG 3.48Å; C49-C65 HydrophobicContact CB-CB 3.88Å; C49-C65 WeakPolarHBondContact CB-SG 3.03Å; C49-C65 WeakPolarHBondContact SG-CB 3.39Å; C49-C65 CovalentContact SG-SG 2.04Å; C49-C65 PolarHBondContact SG-SG 3.08Å; R52-C65 HydrophobicContact CB-CB 4Å; R52-C65 VanDerWaalsContact CZ-SG 3.52Å; C65-C76 VanDerWaalsContact SG-SG 3.62Å
66	D	74.9	Confident	75.4	Confident	16 Å²	16	76 Å²	76	9%	0.086	39%	0.392	C	S	.	.	S	Bend	trans	-100.2	160.1	176.7	74.2	88.7	0	0	0	111.4	M68 C69	D66-M68 PolarHBondContact O-N 3.2Å; D66-M68 WeakPolarHBondContact OD1-CA 3.36Å; D66-M68 VanDerWaalsContact OD1-CB 3.27Å; D66-M68 WeakPolarHBondContact OD1-CB 3.31Å; D66-M68 PolarHBondContact OD1-N 3.22Å; D66-C69 VanDerWaalsContact O-CB 3.23Å; D66-C69 WeakPolarHBondContact O-CB 3.23Å; D66-C69 PolarHBondContact O-N 3.23Å; D66-C69 PolarHBondContact O-SG 2.91Å
67	S	66.8	Low	76.1	Confident	96 Å²	96	79.7 Å²	79.7	67%	0.671	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17	-174.1	57.7	0	0	0	0	115	C69	S67-C69 VanDerWaalsContact C-N 3.32Å
68	M	69	Low	76	Confident	90 Å²	90	74.6 Å²	74.6	44%	0.443	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.8	174.8	-56.8	-59.8	-59.8	0	0	112.6	D66 K70 Y71 Y72	D66-M68 PolarHBondContact O-N 3.2Å; D66-M68 WeakPolarHBondContact OD1-CA 3.36Å; D66-M68 VanDerWaalsContact OD1-CB 3.27Å; D66-M68 WeakPolarHBondContact OD1-CB 3.31Å; D66-M68 PolarHBondContact OD1-N 3.22Å; M68-K70 PolarHBondContact O-N 2.66Å; M68-Y71 HydrophobicContact CE-CD1 4.33Å; M68-Y71 HydrophobicContact CE-CG 4.39Å; M68-Y71 PolarHBondContact O-N 3.34Å; M68-Y72 HydrophobicContact CB-CD2 3.96Å; M68-Y72 HydrophobicContact CB-CE2 3.97Å; M68-Y72 HydrophobicContact CE-CE2 4.2Å; M68-Y72 VanDerWaalsContact O-CD2 3.31Å; M68-Y72 WeakPolarHBondContact O-CD2 3.45Å; M68-Y72 PolarHBondContact O-N 2.77Å; M68-Y72 VanDerWaalsContact O-N 3.09Å
69	C	72.7	Confident	76	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.3	-179.1	79.3	0	0	0	0	112.7	Q64 D66 S67 K73 S74 C75	Q64-C69 HydrophobicContact CB-CB 3.82Å; D66-C69 VanDerWaalsContact O-CB 3.23Å; D66-C69 WeakPolarHBondContact O-CB 3.23Å; D66-C69 PolarHBondContact O-N 3.23Å; D66-C69 PolarHBondContact O-SG 2.91Å; S67-C69 VanDerWaalsContact C-N 3.32Å; C69-K73 WeakPolarHBondContact O-CA 3.38Å; C69-K73 PolarHBondContact O-N 3.09Å; C69-S74 PolarHBondContact O-N 3.02Å; C69-C75 HydrophobicContact CB-CB 3.92Å; C69-C75 WeakPolarHBondContact CB-SG 3.09Å; C69-C75 PolarHBondContact O-SG 2.91Å; C69-C75 WeakPolarHBondContact SG-CA 3.4Å; C69-C75 WeakPolarHBondContact SG-CB 3.25Å; C69-C75 CovalentContact SG-SG 2.04Å; C69-C75 PolarHBondContact SG-SG 3.06Å
70	K	69.8	Low	75.3	Confident	65 Å²	65	72.3 Å²	72.3	28%	0.283	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-52.1	174.3	-71	-161.3	-179.8	-169.3	0	110.5	M68 Y72 K73 C75 Y79 E80 D99	M68-K70 PolarHBondContact O-N 2.66Å; K70-Y72 VanDerWaalsContact C-N 3.32Å; K70-Y72 PolarHBondContact O-N 3.31Å; K70-K73 PolarHBondContact O-N 3.19Å; K70-K73 VanDerWaalsContact O-N 3.07Å; K70-C75 PolarHBondContact N-SG 2.92Å; K70-Y79 HydrophobicContact CG-CE1 4.21Å; K70-E80 VanDerWaalsContact CE-CD 3.47Å; K70-E80 WeakPolarHBondContact CE-OE1 3.46Å; K70-E80 WeakPolarHBondContact CE-OE2 3.4Å; K70-E80 IonicContact NZ-OE1 2.64Å; K70-E80 PolarHBondContact NZ-OE1 2.89Å; K70-E80 IonicContact NZ-OE2 3.34Å; K70-D99 HydrophobicContact CD-CB 4.42Å; K70-D99 WeakPolarHBondContact CD-OD2 3.35Å; K70-D99 IonicContact NZ-OD2 3.17Å; K70-D99 PolarHBondContact NZ-OD2 2.89Å
71	Y	62.5	Low	74.6	Confident	173 Å²	173	66.3 Å²	66.3	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-39.4	179.8	-175.2	-96.7	0	0	0	112.9	M68	M68-Y71 HydrophobicContact CE-CD1 4.33Å; M68-Y71 HydrophobicContact CE-CG 4.39Å; M68-Y71 PolarHBondContact O-N 3.34Å
72	Y	75.2	Confident	73.9	Confident	155 Å²	155	63.4 Å²	63.4	61%	0.608	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	6.8	177.9	-64.4	-64.6	0	0	0	114.4	M68 K70 S74	M68-Y72 HydrophobicContact CB-CD2 3.96Å; M68-Y72 HydrophobicContact CB-CE2 3.97Å; M68-Y72 HydrophobicContact CE-CE2 4.2Å; M68-Y72 VanDerWaalsContact O-CD2 3.31Å; M68-Y72 WeakPolarHBondContact O-CD2 3.45Å; M68-Y72 PolarHBondContact O-N 2.77Å; M68-Y72 VanDerWaalsContact O-N 3.09Å; K70-Y72 VanDerWaalsContact C-N 3.32Å; K70-Y72 PolarHBondContact O-N 3.31Å; Y72-S74 VanDerWaalsContact C-N 3.25Å; Y72-S74 PolarHBondContact O-N 3.27Å
73	K	76.1	Confident	73.2	Confident	169 Å²	169	58.7 Å²	58.7	74%	0.735	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.3	47.1	-176.2	-56.2	-158.8	177.6	-161	0	113.2	C69 K70	C69-K73 WeakPolarHBondContact O-CA 3.38Å; C69-K73 PolarHBondContact O-N 3.09Å; K70-K73 PolarHBondContact O-N 3.19Å; K70-K73 VanDerWaalsContact O-N 3.07Å
74	S	81.6	Confident	71.7	Confident	35 Å²	35	58.6 Å²	58.6	25%	0.245	31%	0.311	C	S	.	.			trans	-125.8	9.2	-171.2	63.6	0	0	0	0	114.7	C63 Q64 C69 Y72	C63-S74 WeakPolarHBondContact CA-O 3.33Å; Q64-S74 PolarHBondContact N-O 3.06Å; C69-S74 PolarHBondContact O-N 3.02Å; Y72-S74 VanDerWaalsContact C-N 3.25Å; Y72-S74 PolarHBondContact O-N 3.27Å
75	C	80.8	Confident	69.9	Low	41 Å²	41	61.5 Å²	61.5	28%	0.277	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-62	151.1	179.1	-56.5	0	0	0	0	113.1	Q64 C69 K70 Y79	Q64-C75 CarbonylContact O-C 3.37Å; Q64-C75 WeakPolarHBondContact O-CA 3.47Å; C69-C75 HydrophobicContact CB-CB 3.92Å; C69-C75 WeakPolarHBondContact CB-SG 3.09Å; C69-C75 PolarHBondContact O-SG 2.91Å; C69-C75 WeakPolarHBondContact SG-CA 3.4Å; C69-C75 WeakPolarHBondContact SG-CB 3.25Å; C69-C75 CovalentContact SG-SG 2.04Å; C69-C75 PolarHBondContact SG-SG 3.06Å; K70-C75 PolarHBondContact N-SG 2.92Å; C75-Y79 HydrophobicContact CB-CD1 4.06Å; C75-Y79 HydrophobicContact CB-CG 3.9Å
76	C	82.5	Confident	67.9	Low	6 Å²	6	64.5 Å²	64.5	4%	0.041	34%	0.344	C	S	.	.			trans	-68.4	157.4	165	-56.7	0	0	0	0	111.5	E47 C49 C63 Q64 C65 D78 Y79	E47-C76 WeakPolarHBondContact O-CB 3.14Å; C49-C76 WeakPolarHBondContact SG-CB 3.31Å; C49-C76 VanDerWaalsContact SG-SG 3.65Å; C63-C76 HydrophobicContact CB-CB 3.81Å; C63-C76 WeakPolarHBondContact CB-SG 3.28Å; C63-C76 VanDerWaalsContact SG-CA 3.5Å; C63-C76 WeakPolarHBondContact SG-CB 3.39Å; C63-C76 CovalentContact SG-SG 2.04Å; C63-C76 PolarHBondContact SG-SG 3.19Å; Q64-C76 PolarHBondContact O-N 2.92Å; C65-C76 VanDerWaalsContact SG-SG 3.62Å; C76-D78 WeakPolarHBondContact CB-OD1 3.38Å; C76-D78 PolarHBondContact O-N 2.82Å; C76-Y79 WeakPolarHBondContact O-CB 3.36Å; C76-Y79 PolarHBondContact O-N 3.35Å
77	S	79.3	Confident	66.1	Low	129 Å²	129	66.6 Å²	66.6	90%	0.902	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15.8	-175.3	54.2	0	0	0	0	114.5
78	D	72.8	Confident	65.5	Low	31 Å²	31	63.1 Å²	63.1	17%	0.166	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	3.7	173.8	69.1	-20.1	0	0	0	113.5	S48 C49 C76 E80 A81 V82	S48-D78 VanDerWaalsContact CA-OD2 3.25Å; S48-D78 WeakPolarHBondContact CA-OD2 3.31Å; S48-D78 VanDerWaalsContact CB-OD2 3.27Å; S48-D78 WeakPolarHBondContact CB-OD2 3.41Å; S48-D78 PolarHBondContact OG-OD2 2.86Å; C49-D78 VanDerWaalsContact N-CG 3.27Å; C49-D78 PolarHBondContact N-OD1 2.91Å; C49-D78 PolarHBondContact N-OD2 3.03Å; C76-D78 WeakPolarHBondContact CB-OD1 3.38Å; C76-D78 PolarHBondContact O-N 2.82Å; D78-E80 PolarHBondContact O-N 3.07Å; D78-A81 CarbonylContact O-C 3.51Å; D78-A81 PolarHBondContact O-N 2.72Å; D78-A81 VanDerWaalsContact O-N 3.09Å; D78-V82 HydrophobicContact CB-CG2 4Å; D78-V82 WeakPolarHBondContact O-CB 2.89Å; D78-V82 WeakPolarHBondContact O-CG2 3.27Å; D78-V82 PolarHBondContact O-N 3.28Å
79	Y	76.3	Confident	64.3	Low	24 Å²	24	59.3 Å²	59.3	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-54.8	-48.6	-175.1	173.1	-97.4	0	0	0	113.1	K70 C75 C76 A81 V82 C83 G84	K70-Y79 HydrophobicContact CG-CE1 4.21Å; C75-Y79 HydrophobicContact CB-CD1 4.06Å; C75-Y79 HydrophobicContact CB-CG 3.9Å; C76-Y79 WeakPolarHBondContact O-CB 3.36Å; C76-Y79 PolarHBondContact O-N 3.35Å; Y79-A81 VanDerWaalsContact C-N 3.33Å; Y79-A81 PolarHBondContact O-N 2.7Å; Y79-V82 PolarHBondContact O-N 2.97Å; Y79-C83 HydrophobicContact CD2-CB 3.71Å; Y79-C83 HydrophobicContact CE2-CB 3.59Å; Y79-C83 HydrophobicContact CG-CB 4.45Å; Y79-C83 WeakPolarHBondContact O-CA 3.33Å; Y79-C83 WeakPolarHBondContact O-CB 3.31Å; Y79-C83 PolarHBondContact O-N 3.08Å; Y79-G84 PolarHBondContact O-N 3.16Å; Y79-G84 VanDerWaalsContact O-N 3.12Å
80	E	60.7	Low	63.1	Low	69 Å²	69	60.5 Å²	60.5	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-39	178.6	-131.8	63.2	-138.8	0	0	111.5	K70 D78 V82 G84	K70-E80 VanDerWaalsContact CE-CD 3.47Å; K70-E80 WeakPolarHBondContact CE-OE1 3.46Å; K70-E80 WeakPolarHBondContact CE-OE2 3.4Å; K70-E80 IonicContact NZ-OE1 2.64Å; K70-E80 PolarHBondContact NZ-OE1 2.89Å; K70-E80 IonicContact NZ-OE2 3.34Å; D78-E80 PolarHBondContact O-N 3.07Å; E80-V82 VanDerWaalsContact C-N 3.32Å; E80-V82 PolarHBondContact O-N 3.24Å; E80-G84 VanDerWaalsContact O-CA 3.23Å; E80-G84 WeakPolarHBondContact O-CA 3.42Å; E80-G84 PolarHBondContact O-N 3.06Å; E80-G84 VanDerWaalsContact O-N 3.12Å
81	A	60.8	Low	61.8	Low	68 Å²	68	57.4 Å²	57.4	56%	0.562	31%	0.306	S	S	*	.	H	α-helix	trans	-74.7	-16.6	-178.6	0	0	0	0	0	114.6	D78 Y79	D78-A81 CarbonylContact O-C 3.51Å; D78-A81 PolarHBondContact O-N 2.72Å; D78-A81 VanDerWaalsContact O-N 3.09Å; Y79-A81 VanDerWaalsContact C-N 3.33Å; Y79-A81 PolarHBondContact O-N 2.7Å
82	V	64.1	Low	61	Low	33 Å²	33	50.2 Å²	50.2	20%	0.2	28%	0.278	C	S	.	.	H	α-helix	trans	-119.7	-37.9	-174.4	179.3	0	0	0	0	112.6	C49 L50 D78 Y79 E80	C49-V82 HydrophobicContact CB-CB 4.34Å; C49-V82 HydrophobicContact CB-CG1 4.29Å; L50-V82 HydrophobicContact CD1-CG1 4.35Å; D78-V82 HydrophobicContact CB-CG2 4Å; D78-V82 WeakPolarHBondContact O-CB 2.89Å; D78-V82 WeakPolarHBondContact O-CG2 3.27Å; D78-V82 PolarHBondContact O-N 3.28Å; Y79-V82 PolarHBondContact O-N 2.97Å; E80-V82 VanDerWaalsContact C-N 3.32Å; E80-V82 PolarHBondContact O-N 3.24Å
83	C	63.4	Low	59.3	Low	9 Å²	9	46.8 Å²	46.8	6%	0.061	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-25.5	179.4	-54.7	0	0	0	0	113.7	C53 Y79 M85 T86	C53-C83 WeakPolarHBondContact CA-SG 3.41Å; C53-C83 HydrophobicContact CB-CB 3.84Å; C53-C83 WeakPolarHBondContact CB-SG 3.5Å; C53-C83 WeakPolarHBondContact SG-CA 3.23Å; C53-C83 WeakPolarHBondContact SG-CB 3.42Å; C53-C83 CovalentContact SG-SG 2.04Å; C53-C83 PolarHBondContact SG-SG 2.74Å; Y79-C83 HydrophobicContact CD2-CB 3.71Å; Y79-C83 HydrophobicContact CE2-CB 3.59Å; Y79-C83 HydrophobicContact CG-CB 4.45Å; Y79-C83 WeakPolarHBondContact O-CA 3.33Å; Y79-C83 WeakPolarHBondContact O-CB 3.31Å; Y79-C83 PolarHBondContact O-N 3.08Å; C83-M85 PolarHBondContact O-N 3.45Å; C83-T86 WeakPolarHBondContact O-CB 3.48Å; C83-T86 PolarHBondContact O-N 3.25Å; C83-T86 PolarHBondContact O-OG1 2.81Å
84	G	52	Low	57.2	Low	10 Å²	10	44.6 Å²	44.6	10%	0.103	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-57.4	-36.5	172	0	0	0	0	0	112.3	Y79 E80 T86 T87	Y79-G84 PolarHBondContact O-N 3.16Å; Y79-G84 VanDerWaalsContact O-N 3.12Å; E80-G84 VanDerWaalsContact O-CA 3.23Å; E80-G84 WeakPolarHBondContact O-CA 3.42Å; E80-G84 PolarHBondContact O-N 3.06Å; E80-G84 VanDerWaalsContact O-N 3.12Å; G84-T86 PolarHBondContact O-N 3.38Å; G84-T87 PolarHBondContact O-N 3.37Å
85	M	47.5	Very low	54.9	Low	68 Å²	68	45.3 Å²	45.3	34%	0.335	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-68.8	19.7	174.5	-63.8	-164.8	172.3	0	0	115.9	C83 E96	C83-M85 PolarHBondContact O-N 3.45Å; M85-E96 WeakPolarHBondContact CA-OE1 3.49Å
86	T	37.3	Very low	53.1	Low	67 Å²	67	45.8 Å²	45.8	41%	0.411	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-95	-3.1	171	-38.4	0	0	0	0	112	C83 G84	C83-T86 WeakPolarHBondContact O-CB 3.48Å; C83-T86 PolarHBondContact O-N 3.25Å; C83-T86 PolarHBondContact O-OG1 2.81Å; G84-T86 PolarHBondContact O-N 3.38Å
87	T	37.9	Very low	51	Low	60 Å²	60	50.2 Å²	50.2	37%	0.368	29%	0.294	S	S	.	.	S	Bend	trans	-68.3	161.5	167.9	74.5	0	0	0	0	111.6	G84 G89	G84-T87 PolarHBondContact O-N 3.37Å; T87-G89 VanDerWaalsContact C-N 3.26Å; T87-G89 PolarHBondContact O-N 2.84Å
88	R	52.7	Low	49	Very low	24 Å²	24	49.7 Å²	49.7	9%	0.091	28%	0.281	C	S	.	.			trans	-74.1	79.8	176.1	-62.5	-173.1	175.4	-157.1	-23.6	109.9	D90 F92 D230 Q231 K232 S233 W560	R88-D90 PolarHBondContact O-N 2.86Å; R88-F92 HydrophobicContact CB-CD2 3.51Å; R88-F92 HydrophobicContact CB-CE2 3.58Å; R88-F92 HydrophobicContact CG-CD2 4.45Å; R88-F92 HydrophobicContact CG-CE2 4.28Å; R88-F92 WeakPolarHBondContact O-CD2 3.4Å; R88-D230 PolarHBondContact NH1-O 3.05Å; R88-Q231 WeakPolarHBondContact CD-O 3.42Å; R88-K232 PolarHBondContact NE-O 2.78Å; R88-K232 PolarHBondContact NH2-O 2.82Å; R88-S233 VanDerWaalsContact CZ-N 3.33Å; R88-S233 PolarHBondContact NH1-O 3.37Å; R88-S233 VanDerWaalsContact NH1-O 3.08Å; R88-W560 PolarHBondContact NH1-O 3.49Å; R88-W560 PolarHBondContact NH2-O 3.18Å
89	G	44.7	Very low	47.2	Very low	9 Å²	9	53.4 Å²	53.4	9%	0.093	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-23.4	119.9	-166.2	0	0	0	0	0	115.8	T87 T91 Y528	T87-G89 VanDerWaalsContact C-N 3.26Å; T87-G89 PolarHBondContact O-N 2.84Å; G89-T91 PolarHBondContact O-N 2.83Å; G89-T91 PolarHBondContact O-OG1 2.92Å; G89-Y528 VanDerWaalsContact C-OH 3.26Å; G89-Y528 PolarHBondContact O-OH 2.96Å
90	D	47.2	Very low	45.4	Very low	26 Å²	26	60.4 Å²	60.4	14%	0.139	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	0.7	167.4	-15.3	-56.2	0	0	0	118.3	R88 F92 R401 Y403 Y528 R537	R88-D90 PolarHBondContact O-N 2.86Å; D90-F92 VanDerWaalsContact C-N 3.34Å; D90-R401 VanDerWaalsContact O-CB 3.23Å; D90-R401 WeakPolarHBondContact O-CB 3.21Å; D90-R401 WeakPolarHBondContact O-CG 3.44Å; D90-Y403 HydrophobicContact CB-CD1 3.95Å; D90-Y403 HydrophobicContact CB-CE1 3.86Å; D90-Y528 PolarHBondContact OD2-OH 2.7Å; D90-R537 IonicContact OD1-NH1 2.69Å; D90-R537 PolarHBondContact OD1-NH1 3.18Å; D90-R537 WeakPolarHBondContact OD2-CD 3.29Å; D90-R537 IonicContact OD2-CZ 3.14Å; D90-R537 IonicContact OD2-NE 2.71Å; D90-R537 IonicContact OD2-NH1 2.7Å; D90-R537 PolarHBondContact OD2-NH1 2.99Å
91	T	42.4	Very low	44.4	Very low	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.358	C	S	.	.	S	Bend	trans	-95.2	-0.4	-170.4	-41.9	0	0	0	0	111.6	G89 I218 M398 R401 Y528	G89-T91 PolarHBondContact O-N 2.83Å; G89-T91 PolarHBondContact O-OG1 2.92Å; T91-I218 HydrophobicContact CG2-CD1 3.44Å; T91-I218 VanDerWaalsContact CG2-CD1 3.44Å; T91-M398 HydrophobicContact CG2-CE 3.83Å; T91-R401 PolarHBondContact O-NE 2.84Å; T91-R401 PolarHBondContact O-NH2 3.3Å; T91-Y528 WeakPolarHBondContact OG1-CE2 3.35Å
92	F	45.8	Very low	43.2	Very low	21 Å²	21	66.4 Å²	66.4	9%	0.092	37%	0.365	C	S	.	.	S	Bend	trans	-131	-177.7	-170.1	-65.3	-68.3	0	0	0	112.5	R88 D90 I218 D230 Q231 R401	R88-F92 HydrophobicContact CB-CD2 3.51Å; R88-F92 HydrophobicContact CB-CE2 3.58Å; R88-F92 HydrophobicContact CG-CD2 4.45Å; R88-F92 HydrophobicContact CG-CE2 4.28Å; R88-F92 WeakPolarHBondContact O-CD2 3.4Å; D90-F92 VanDerWaalsContact C-N 3.34Å; F92-I218 HydrophobicContact CE1-CD1 3.71Å; F92-I218 HydrophobicContact CE1-CG1 4.32Å; F92-I218 HydrophobicContact CE2-CD1 4.11Å; F92-I218 HydrophobicContact CZ-CD1 3.37Å; F92-I218 HydrophobicContact CZ-CG1 4.31Å; F92-D230 VanDerWaalsContact CE1-C 3.43Å; F92-D230 VanDerWaalsContact CE1-O 3.22Å; F92-D230 WeakPolarHBondContact CE1-O 3.4Å; F92-D230 WeakPolarHBondContact CZ-O 3.32Å; F92-Q231 HydrophobicContact CB-CB 3.84Å; F92-Q231 HydrophobicContact CB-CG 3.95Å; F92-Q231 HydrophobicContact CD1-CB 3.83Å; F92-Q231 HydrophobicContact CD1-CG 3.61Å; F92-Q231 HydrophobicContact CE1-CG 4.42Å; F92-Q231 HydrophobicContact CG-CB 3.81Å; F92-Q231 HydrophobicContact CG-CG 4Å; F92-R401 WeakPolarHBondContact O-CD 3.35Å; F92-R401 PolarHBondContact O-NE 3.38Å; F92-R401 PolarHBondContact O-NH1 3.4Å
93	V	38.9	Very low	42	Very low	83 Å²	83	70.6 Å²	70.6	50%	0.503	39%	0.385	S	S	.	.	S	Bend	trans	-80.8	-35.2	-164.8	177	0	0	0	0	112.4	A95 R401	V93-A95 PolarHBondContact O-N 3.47Å; V93-R401 VanDerWaalsContact CA-NH1 3.32Å; V93-R401 VanDerWaalsContact CG2-NH1 3.33Å
94	F	31.9	Very low	40.4	Very low	124 Å²	124	80 Å²	80	54%	0.544	43%	0.425	S	S	.	.			trans	-74	117.2	174.8	-50.8	-75.4	0	0	0	109.1	Q231	F94-Q231 VanDerWaalsContact CD2-OE1 3.22Å
95	A	34.9	Very low	39.3	Very low	50 Å²	50	83 Å²	83	41%	0.413	46%	0.456	S	S	.	.			trans	-67.6	167	155.6	0	0	0	0	0	109.1	V93 D97	V93-A95 PolarHBondContact O-N 3.47Å; A95-D97 PolarHBondContact O-N 3.21Å; A95-D97 VanDerWaalsContact O-N 3.14Å
96	E	41.6	Very low	38.4	Very low	51 Å²	51	85.3 Å²	85.3	24%	0.238	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-1.8	-177.1	-59.9	-172.6	143	0	0	113.6	M85	M85-E96 WeakPolarHBondContact CA-OE1 3.49Å
97	D	39.2	Very low	38.2	Very low	99 Å²	99	88.4 Å²	88.4	53%	0.529	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-10.6	-169.9	-62.3	-64.3	0	0	0	116.1	A95 D99	A95-D97 PolarHBondContact O-N 3.21Å; A95-D97 VanDerWaalsContact O-N 3.14Å; D97-D99 PolarHBondContact O-N 3.33Å
98	D	37.5	Very low	37.7	Very low	118 Å²	118	91.9 Å²	91.9	63%	0.631	52%	0.52	S	S	*	.			trans	-81.3	71	-169.5	-71.9	-41.8	0	0	0	114.8
99	D	35.2	Very low	36.6	Very low	109 Å²	109	96.3 Å²	96.3	58%	0.583	55%	0.551	S	S	*	*			trans	-130.6	46.3	171.4	-84.6	-48.1	0	0	0	112.3	K70 D97 D101	K70-D99 HydrophobicContact CD-CB 4.42Å; K70-D99 WeakPolarHBondContact CD-OD2 3.35Å; K70-D99 IonicContact NZ-OD2 3.17Å; K70-D99 PolarHBondContact NZ-OD2 2.89Å; D97-D99 PolarHBondContact O-N 3.33Å; D99-D101 PolarHBondContact O-N 3.19Å
100	D	37.6	Very low	35.8	Very low	170 Å²	170	102.6 Å²	102.6	91%	0.909	59%	0.588	S	S	*	*			trans	-75.2	65.3	178.6	-101.7	-18.4	0	0	0	113.1	D102	D100-D102 PolarHBondContact O-N 3.31Å
101	D	40.6	Very low	35.1	Very low	134 Å²	134	106.9 Å²	106.9	72%	0.717	62%	0.617	S	S	*	*			trans	-91.4	69.1	178.3	-160.8	21.1	0	0	0	111.2	D99	D99-D101 PolarHBondContact O-N 3.19Å
102	D	33.8	Very low	34.4	Very low	130 Å²	130	116.8 Å²	116.8	70%	0.695	66%	0.66	S	S	*	*			trans	-98.4	111.1	-172.7	-148.5	20.3	0	0	0	113.6	D100	D100-D102 PolarHBondContact O-N 3.31Å
103	L	40.6	Very low	33.5	Very low	121 Å²	121	119.4 Å²	119.4	63%	0.634	69%	0.693	S	S	*	*			trans	-80.8	140.7	-173.5	-69.1	83.6	0	0	0	112.9
104	F	29.4	Very low	33	Very low	206 Å²	206	124.1 Å²	124.1	90%	0.904	72%	0.715	S	S	*	*			trans	-121.3	72.7	150.2	-87.4	-79.6	0	0	0	112.6
105	G	29	Very low	32.9	Very low	73 Å²	73	121.4 Å²	121.4	75%	0.753	72%	0.715	S	S	*	*			trans	-82.1	122.5	161	0	0	0	0	0	110.6
106	S	28.5	Very low	32.5	Very low	116 Å²	116	126.4 Å²	126.4	81%	0.811	74%	0.735	S	S	*	*			trans	-114.2	121.8	172.4	-167.6	0	0	0	0	111.6
107	T	32.2	Very low	31.9	Very low	132 Å²	132	130.6 Å²	130.6	81%	0.81	76%	0.764	S	S	*	*			trans	-47.6	148.5	-178.5	39.6	0	0	0	0	116.4
108	T	27.3	Very low	31.4	Very low	134 Å²	134	130.1 Å²	130.1	82%	0.822	77%	0.774	S	S	*	*			trans	-143	134.8	149.7	-61.2	0	0	0	0	108.5
109	P	29.9	Very low	30.8	Very low	116 Å²	116	130.4 Å²	130.4	75%	0.753	79%	0.785	S	S	*	*			trans	-88.7	162.7	-165.7	34.7	-37.4	0	0	0	115.3
110	T	28.1	Very low	30.4	Very low	141 Å²	141	130.5 Å²	130.5	87%	0.865	79%	0.79	S	S	*	*			trans	-72.6	149.5	175.6	29.4	0	0	0	0	114.4
111	P	32.4	Very low	30.1	Very low	117 Å²	117	131.3 Å²	131.3	76%	0.76	79%	0.788	S	S	*	*			trans	-132	118.5	144.7	33.3	-19.4	0	0	0	114.4
112	K	29	Very low	29.9	Very low	208 Å²	208	130.3 Å²	130.3	90%	0.904	79%	0.789	S	S	*	*			trans	36.9	85.7	142.1	-60.5	-180	-179.6	177.6	0	119.8
113	G	26.8	Very low	30.4	Very low	76 Å²	76	129.6 Å²	129.6	78%	0.784	79%	0.791	S	S	*	*				17.9	157.6	127.5	0	0	0	0	0	124.9
114	L	28.3	Very low	29.8	Very low	181 Å²	181	131 Å²	131	95%	0.948	81%	0.805	S	S	*	*			trans	-151.8	158.5	153.6	-113.9	166.4	0	0	0	111.8
115	A	28.5	Very low	29.7	Very low	68 Å²	68	126.2 Å²	126.2	56%	0.562	80%	0.796	S	S	*	*			trans	-61.2	154.5	-160.8	0	0	0	0	0	119.6
116	N	27.1	Very low	29.6	Very low	154 Å²	154	130.1 Å²	130.1	82%	0.824	80%	0.8	S	S	*	*			trans	59.2	144.7	139.4	-57.9	-8.8	0	0	0	118.8
117	V	29	Very low	29.5	Very low	139 Å²	139	132.7 Å²	132.7	84%	0.842	80%	0.797	S	S	*	*				-147.7	149.9	53.3	161.4	0	0	0	0	111.7
118	A	28.3	Very low	29.4	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	80%	0.797	S	S	*	*			trans	-97.3	150.8	170.1	0	0	0	0	0	111.9
119	S	25.3	Very low	29.5	Very low	124 Å²	124	136 Å²	136	87%	0.867	80%	0.799	S	S	*	*			trans	-148.4	162.7	160.9	-165.2	0	0	0	0	110.3
120	T	27.5	Very low	29.3	Very low	110 Å²	110	141.7 Å²	141.7	68%	0.675	81%	0.805	S	S	*	*			trans	-141.9	135.1	-143.1	-56.4	0	0	0	0	113.4
121	Q	31	Very low	29.3	Very low	187 Å²	187	141.4 Å²	141.4	87%	0.874	80%	0.804	S	S	*	*			trans	72.3	161.7	161.8	-79.7	171.9	-17.1	0	0	119.8
122	P	36.9	Very low	29.2	Very low	113 Å²	113	145 Å²	145	73%	0.734	81%	0.81	S	S	*	*			trans	-126.4	-142.2	-166.4	44.7	-25.7	0	0	0	110.3
123	P	44.2	Very low	29.2	Very low	115 Å²	115	145.3 Å²	145.3	75%	0.747	81%	0.805	S	S	*	*			cis	-114.9	165.1	-46.3	34.2	-21	0	0	0	111.8
124	V	28	Very low	29.5	Very low	152 Å²	152	146.8 Å²	146.8	92%	0.921	80%	0.801	S	S	*	*			trans	-138.8	136.4	156.7	-172.7	0	0	0	0	109.7
125	S	26.8	Very low	29.6	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	79%	0.793	S	S	*	*			trans	-99	143.5	173.9	53.6	0	0	0	0	111.5
126	D	25.9	Very low	29.6	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	80%	0.8	S	S	*	*			trans	-156	168.3	137.2	-135	-29.3	0	0	0	114.7
127	F	27.5	Very low	29.7	Very low	171 Å²	171	146.9 Å²	146.9	75%	0.75	80%	0.8	S	S	*	*			trans	-62.1	140.2	-175.3	-90.4	-122.6	0	0	0	114.8
128	N	29.6	Very low	29.7	Very low	150 Å²	150	146.7 Å²	146.7	80%	0.802	79%	0.794	S	S	*	*				-171.5	153.9	89.8	-102.6	-70.3	0	0	0	114.1
129	Q	30.1	Very low	29.7	Very low	184 Å²	184	150.3 Å²	150.3	86%	0.86	80%	0.8	S	S	*	*			trans	-80.6	141.1	171.2	-66.9	174.6	-36.2	0	0	111.1
130	R	26.1	Very low	29.8	Very low	237 Å²	237	153.7 Å²	153.7	89%	0.894	80%	0.799	S	S	*	*			trans	-143.4	126.6	143.6	-150.5	166.7	-160.6	158	8.1	112.2
131	T	27.4	Very low	29.8	Very low	135 Å²	135	157.4 Å²	157.4	83%	0.828	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-70.1	126.3	179.3	33.7	0	0	0	0	111.3
132	H	30.6	Very low	29.7	Very low	191 Å²	191	154.5 Å²	154.5	88%	0.884	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-86.6	130.7	165.8	-95	-99.2	0	0	0	110.6
133	R	28.1	Very low	29.3	Very low	216 Å²	216	158.1 Å²	158.1	82%	0.815	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-93.1	129.1	-174.4	-162	-177.3	-166.5	170.8	2.3	108.8
134	P	32.6	Very low	28.6	Very low	106 Å²	106	157.8 Å²	157.8	69%	0.688	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-68.6	148	167.8	30.1	-33.6	0	0	0	110
135	P	32.1	Very low	28.9	Very low	120 Å²	120	156.4 Å²	156.4	78%	0.779	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.8	134	173.8	30.6	-33.1	0	0	0	111.2
136	E	27.2	Very low	29	Very low	151 Å²	151	162.9 Å²	162.9	71%	0.706	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.4	119	175.2	-66.7	177.3	-155	0	0	111.7	N138	E136-N138 PolarHBondContact O-N 2.87Å; E136-N138 PolarHBondContact OE2-ND2 3.29Å
137	T	30.1	Very low	29	Very low	135 Å²	135	163.3 Å²	163.3	83%	0.828	81%	0.812	S	S	*	*			trans	-95.8	74.4	168.2	40.8	0	0	0	0	111.3	L139	T137-L139 PolarHBondContact O-N 2.86Å
138	N	28	Very low	29.1	Very low	135 Å²	135	160.4 Å²	160.4	72%	0.722	81%	0.808	S	S	*	*			trans	-68.5	93.4	174.7	-84.6	-80.7	0	0	0	111.8	E136	E136-N138 PolarHBondContact O-N 2.87Å; E136-N138 PolarHBondContact OE2-ND2 3.29Å
139	L	28.3	Very low	29	Very low	166 Å²	166	160.8 Å²	160.8	87%	0.869	81%	0.81	S	S	*	*			trans	-109.3	87.3	171.5	-105.1	163.9	0	0	0	111.5	T137 M141	T137-L139 PolarHBondContact O-N 2.86Å; L139-M141 PolarHBondContact O-N 3.22Å
140	K	27.1	Very low	28.9	Very low	195 Å²	195	160.6 Å²	160.6	85%	0.848	81%	0.809	S	S	*	*			trans	-72.3	109.8	172.8	-119	175.8	-179.7	173.3	0	109.8	T142	K140-T142 PolarHBondContact O-N 2.66Å; K140-T142 PolarHBondContact O-OG1 2.97Å
141	M	27.4	Very low	28.8	Very low	188 Å²	188	160.9 Å²	160.9	93%	0.926	81%	0.81	S	S	*	*			trans	-70.1	101.3	175.5	-162.7	68	81.4	0	0	110.2	L139 K143	L139-M141 PolarHBondContact O-N 3.22Å; M141-K143 PolarHBondContact O-N 3.26Å
142	T	28.9	Very low	28.8	Very low	126 Å²	126	162.4 Å²	162.4	77%	0.773	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.2	117.4	-174	-47.6	0	0	0	0	110.1	K140	K140-T142 PolarHBondContact O-N 2.66Å; K140-T142 PolarHBondContact O-OG1 2.97Å
143	K	29.8	Very low	28.7	Very low	189 Å²	189	158.5 Å²	158.5	82%	0.822	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.7	123.4	-178.2	176.9	177.6	178.6	176.4	0	111.7	M141	M141-K143 PolarHBondContact O-N 3.26Å
144	P	29.9	Very low	29.4	Very low	107 Å²	107	153.6 Å²	153.6	70%	0.695	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.7	146	171.9	28.8	-33.7	0	0	0	111.3
145	P	33.1	Very low	29.1	Very low	123 Å²	123	157.1 Å²	157.1	80%	0.799	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.4	144.3	-176	30.8	-34.8	0	0	0	112.6	L147	P145-L147 PolarHBondContact O-N 2.76Å
146	R	28.5	Very low	28.9	Very low	240 Å²	240	156.2 Å²	156.2	91%	0.906	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.8	122.4	164	-81.2	-177.2	170.9	171.8	-4.1	109	V148	R146-V148 PolarHBondContact O-N 2.75Å
147	L	27.3	Very low	28.9	Very low	165 Å²	165	157 Å²	157	86%	0.864	81%	0.81	S	S	*	*			trans	-70	112.6	167.6	-104.6	162.2	0	0	0	109.4	P145	P145-L147 PolarHBondContact O-N 2.76Å
148	V	28.8	Very low	28.9	Very low	109 Å²	109	158.3 Å²	158.3	66%	0.661	81%	0.811	S	S	*	*			trans	-97.7	112.4	172.4	176	0	0	0	0	108.2	R146 Q150	R146-V148 PolarHBondContact O-N 2.75Å; V148-Q150 HydrophobicContact CG1-CG 4.12Å
149	N	28.4	Very low	29	Very low	158 Å²	158	156.5 Å²	156.5	85%	0.845	82%	0.815	S	S	*	*			trans	-102.1	103.6	164.5	-86.4	-14.5	0	0	0	109
150	Q	27.1	Very low	29.1	Very low	180 Å²	180	152.8 Å²	152.8	84%	0.841	81%	0.808	S	S	*	*			trans	-92	137.2	161.2	-75.5	-179.3	-22.7	0	0	109.4	V148	V148-Q150 HydrophobicContact CG1-CG 4.12Å
151	R	25.2	Very low	29.2	Very low	244 Å²	244	149.1 Å²	149.1	92%	0.921	80%	0.802	S	S	*	*			trans	-141.1	155.7	154.6	-135.3	175.7	-173.6	-178.2	1.1	108.9
152	L	26.7	Very low	29.2	Very low	167 Å²	167	147 Å²	147	87%	0.874	80%	0.8	S	S	*	*			trans	-93.3	168.1	-155.5	-68.9	125.7	0	0	0	114.8
153	S	27.7	Very low	29.2	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	80%	0.801	S	S	*	*			trans	-61	-174.6	177.3	-18.6	0	0	0	0	114.2
154	P	43.3	Very low	29.3	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	80%	0.801	S	S	*	*			cis	-145.9	-154	36.8	39.6	-14.3	0	0	0	116.6
155	E	27.2	Very low	30	Very low	181 Å²	181	140.6 Å²	140.6	85%	0.846	80%	0.802	S	S	*	*			trans	81.3	141	171.8	-58.1	-170.8	118.8	0	0	118.3
156	S	27.3	Very low	29.9	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	81%	0.806	S	S	*	*			cis	-155.6	176.9	-28.9	-151.2	0	0	0	0	113.2
157	E	27.8	Very low	30.2	Very low	169 Å²	169	136.4 Å²	136.4	79%	0.79	80%	0.797	S	S	*	*			trans	-53.6	148.6	-167.3	-58.1	159.5	101.3	0	0	120.6
158	L	29.2	Very low	31.1	Very low	162 Å²	162	134.8 Å²	134.8	85%	0.848	80%	0.796	S	S	*	*				-170.9	115.8	117.4	-118.9	63.7	0	0	0	108.4
159	A	30.8	Very low	31.2	Very low	96 Å²	96	135.3 Å²	135.3	79%	0.793	81%	0.805	S	S	*	*				55.2	138.7	91.8	0	0	0	0	0	115.9
160	A	30.6	Very low	31.3	Very low	88 Å²	88	132.6 Å²	132.6	73%	0.727	80%	0.804	S	S	*	*			cis	-169.6	-173.3	-14.6	0	0	0	0	0	107.3
161	T	28	Very low	31.3	Very low	118 Å²	118	129.7 Å²	129.7	72%	0.724	80%	0.799	S	S	*	*			cis	-161.9	159.2	6.8	-22.7	0	0	0	0	109.8
162	T	28.3	Very low	31.5	Very low	144 Å²	144	124.1 Å²	124.1	88%	0.883	79%	0.792	S	S	*	*			trans	60.8	148.7	159.8	46	0	0	0	0	120.1
163	G	28.3	Very low	31.6	Very low	78 Å²	78	122.7 Å²	122.7	80%	0.804	79%	0.79	S	S	*	*			cis	-179	167.6	-2.9	0	0	0	0	0	113.6
164	A	31.1	Very low	31.9	Very low	97 Å²	97	121.6 Å²	121.6	80%	0.802	79%	0.788	S	S	*	*			trans	-122.1	-172.9	171.9	0	0	0	0	0	108
165	P	46.4	Very low	31.9	Very low	112 Å²	112	122.7 Å²	122.7	73%	0.727	80%	0.795	S	S	*	*			cis	-149.4	-165.7	28.6	33.4	-5.9	0	0	0	117.4
166	Q	30.8	Very low	32	Very low	189 Å²	189	123.7 Å²	123.7	88%	0.883	80%	0.797	S	S	*	*			trans	117	147.4	147.1	-58.5	-165.5	-7.1	0	0	119.1
167	A	33	Very low	32.1	Very low	86 Å²	86	125 Å²	125	71%	0.711	80%	0.801	S	S	*	*			trans	-136	172.4	174	0	0	0	0	0	108.5
168	P	47.1	Very low	32.3	Very low	132 Å²	132	122.8 Å²	122.8	86%	0.857	80%	0.799	S	S	*	*				-148.6	-170.1	111.4	37.8	-20.4	0	0	0	114.7
169	S	29.8	Very low	32.4	Very low	120 Å²	120	119.7 Å²	119.7	84%	0.839	80%	0.796	S	S	*	*			trans	-118.3	165.1	-171.3	-47.3	0	0	0	0	114.2
170	A	30.6	Very low	32.4	Very low	100 Å²	100	119.6 Å²	119.6	83%	0.826	80%	0.796	S	S	*	*			trans	-148	170.8	168.8	0	0	0	0	0	112.2
171	T	27.6	Very low	32.5	Very low	120 Å²	120	121.7 Å²	121.7	74%	0.736	80%	0.8	S	S	*	*			trans	-150.8	150.4	-137.9	-53.8	0	0	0	0	115.6
172	T	29	Very low	32.6	Very low	127 Å²	127	122.5 Å²	122.5	78%	0.779	81%	0.805	S	S	*	*			trans	65.2	164	168.5	33.2	0	0	0	0	117
173	T	29.8	Very low	33.2	Very low	136 Å²	136	120.4 Å²	120.4	83%	0.834	80%	0.802	S	S	*	*			cis	-149.5	175.1	16	-23.5	0	0	0	0	111.7
174	A	34.7	Very low	33.5	Very low	86 Å²	86	120.8 Å²	120.8	71%	0.711	80%	0.798	S	S	*	*			trans	-128.8	167.4	174.5	0	0	0	0	0	112.8
175	P	41.6	Very low	33.5	Very low	135 Å²	135	122.6 Å²	122.6	88%	0.877	80%	0.799	S	S	*	*			trans	-122.2	178.3	147.6	33.8	-21	0	0	0	113.1
176	K	29.8	Very low	32.8	Very low	202 Å²	202	123.4 Å²	123.4	88%	0.878	80%	0.802	S	S	*	*			trans	-139.2	-164.9	-162.6	-153.4	179.6	178.8	179.6	0	112
177	T	30.3	Very low	33	Very low	129 Å²	129	120 Å²	120	79%	0.791	79%	0.794	S	S	*	*			trans	78.2	138.7	172.5	9.7	0	0	0	0	115.1
178	T	31.4	Very low	33.5	Very low	122 Å²	122	122.2 Å²	122.2	75%	0.748	80%	0.799	S	S	*	*			cis	-155.3	152	6.5	-36	0	0	0	0	112.1
179	A	31	Very low	33.1	Very low	96 Å²	96	118.7 Å²	118.7	79%	0.793	79%	0.786	S	S	*	*			trans	61.6	156.7	154.9	0	0	0	0	0	119.5
180	A	30.8	Very low	33.8	Very low	95 Å²	95	119 Å²	119	79%	0.785	78%	0.783	S	S	*	*			cis	-157.7	169.3	-23.1	0	0	0	0	0	111
181	T	32.6	Very low	34.2	Very low	131 Å²	131	120.3 Å²	120.3	80%	0.804	78%	0.781	S	S	*	*			trans	-39.8	129.7	-178	-49.8	0	0	0	0	117.7
182	T	30.5	Very low	35.1	Very low	135 Å²	135	120.6 Å²	120.6	83%	0.828	78%	0.782	S	S	*	*				-151.5	129.7	128.6	-64	0	0	0	0	108.6
183	A	40	Very low	36.4	Very low	101 Å²	101	118.2 Å²	118.2	84%	0.835	78%	0.776	S	S	*	*			trans	-90.6	117.3	172.5	0	0	0	0	0	108.9
184	A	34.7	Very low	37.7	Very low	85 Å²	85	116 Å²	116	70%	0.702	77%	0.771	S	S	*	*			trans	-118.7	124.5	171.5	0	0	0	0	0	108.6	T186	A184-T186 PolarHBondContact O-N 3.38Å
185	T	32.4	Very low	39.8	Very low	135 Å²	135	116.3 Å²	116.3	83%	0.828	77%	0.766	S	S	*	*			trans	-69.4	101.9	179.4	-56.3	0	0	0	0	109.6	T187	T185-T187 VanDerWaalsContact C-N 3.33Å; T185-T187 PolarHBondContact O-N 3.46Å
186	T	31.8	Very low	42.1	Very low	130 Å²	130	112.8 Å²	112.8	80%	0.798	74%	0.74	S	S	*	*			trans	-66.8	95.2	168.8	-52.4	0	0	0	0	108.7	A184 V188	A184-T186 PolarHBondContact O-N 3.38Å; T186-V188 PolarHBondContact O-N 2.96Å
187	T	34.2	Very low	45	Very low	116 Å²	116	105.6 Å²	105.6	71%	0.712	71%	0.713	S	S	*	*			trans	-55.7	123.2	165.8	44.1	0	0	0	0	108.4	T185 G189	T185-T187 VanDerWaalsContact C-N 3.33Å; T185-T187 PolarHBondContact O-N 3.46Å; T187-G189 VanDerWaalsContact C-N 3.33Å; T187-G189 PolarHBondContact O-N 3.14Å
188	V	44.4	Very low	47.9	Very low	134 Å²	134	101 Å²	101	81%	0.812	68%	0.684	S	S	*	*			trans	-65.2	98.9	171.1	177.4	0	0	0	0	107.2	T186 V190	T186-V188 PolarHBondContact O-N 2.96Å; V188-V190 PolarHBondContact O-N 2.83Å
189	G	38	Very low	50.7	Low	58 Å²	58	96.2 Å²	96.2	60%	0.598	66%	0.657	S	S	*	*			trans	-64	102.6	172.6	0	0	0	0	0	108.6	T187 T191	T187-G189 VanDerWaalsContact C-N 3.33Å; T187-G189 PolarHBondContact O-N 3.14Å; G189-T191 PolarHBondContact O-N 3.18Å
190	V	44.5	Very low	53.6	Low	126 Å²	126	96 Å²	96	76%	0.764	64%	0.639	S	S	*	*			trans	-68	86.8	160.1	179.6	0	0	0	0	105.9	V188 T192	V188-V190 PolarHBondContact O-N 2.83Å; V190-T192 VanDerWaalsContact C-N 3.3Å; V190-T192 PolarHBondContact O-N 2.68Å
191	T	39.3	Very low	56.4	Low	127 Å²	127	93.3 Å²	93.3	78%	0.779	61%	0.613	S	S	*	*			trans	-65.9	96.1	170.4	-53.7	0	0	0	0	106.8	G189 A193	G189-T191 PolarHBondContact O-N 3.18Å; T191-A193 VanDerWaalsContact C-N 3.27Å; T191-A193 PolarHBondContact O-N 3.32Å
192	T	47.3	Very low	59	Low	126 Å²	126	90.7 Å²	90.7	77%	0.773	60%	0.599	S	S	*	*			trans	-60.3	94.9	169.5	-54.2	0	0	0	0	107.6	V190	V190-T192 VanDerWaalsContact C-N 3.3Å; V190-T192 PolarHBondContact O-N 2.68Å
193	A	56.4	Low	61.8	Low	77 Å²	77	86 Å²	86	64%	0.636	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-56.8	140.4	173.5	0	0	0	0	0	108.5	T191	T191-A193 VanDerWaalsContact C-N 3.27Å; T191-A193 PolarHBondContact O-N 3.32Å
194	A	56.4	Low	64	Low	89 Å²	89	83.4 Å²	83.4	74%	0.736	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-56.6	133.9	173.5	0	0	0	0	0	108.9	D196	A194-D196 PolarHBondContact O-N 2.04Å
195	P	78.4	Confident	66.7	Low	93 Å²	93	84.4 Å²	84.4	60%	0.604	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-59.7	131.6	-178.4	24	-33.1	0	0	0	109.7	Q200	P195-Q200 PolarHBondContact O-NE2 3.02Å
196	D	89.4	Confident	69.6	Low	62 Å²	62	80.5 Å²	80.5	33%	0.332	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-51.9	126.8	-168.6	-167.7	-50.5	0	0	0	111.9	A194 D198 A199 Q200 Y225	A194-D196 PolarHBondContact O-N 2.04Å; D196-D198 PolarHBondContact O-N 2.94Å; D196-D198 WeakPolarHBondContact OD1-CB 3.25Å; D196-D198 PolarHBondContact OD1-N 3.15Å; D196-A199 HydrophobicContact CB-CB 3.95Å; D196-A199 WeakPolarHBondContact O-CA 3.47Å; D196-A199 WeakPolarHBondContact O-CB 3.46Å; D196-A199 PolarHBondContact O-N 3.27Å; D196-Q200 PolarHBondContact O-N 2.04Å; D196-Q200 VanDerWaalsContact O-N 3.12Å; D196-Y225 HydrophobicContact CB-CE2 4.05Å
197	P	90.5	Very high	72.6	Confident	50 Å²	50	74.5 Å²	74.5	33%	0.325	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22	-179.9	27.7	-36.6	0	0	0	113.6	S203	P197-S203 WeakPolarHBondContact O-CB 3.41Å; P197-S203 PolarHBondContact O-OG 2.9Å
198	D	91	Very high	75.6	Confident	34 Å²	34	71.3 Å²	71.3	18%	0.182	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.7	173	-65.2	-40.8	0	0	0	111.9	D196 R205 R222 Y225 F227	D196-D198 PolarHBondContact O-N 2.94Å; D196-D198 WeakPolarHBondContact OD1-CB 3.25Å; D196-D198 PolarHBondContact OD1-N 3.15Å; D198-R205 WeakPolarHBondContact OD1-CD 3.41Å; D198-R205 IonicContact OD1-CZ 2.78Å; D198-R205 IonicContact OD1-NE 3.36Å; D198-R205 IonicContact OD1-NH1 3.61Å; D198-R205 PolarHBondContact OD1-NH1 3.1Å; D198-R205 IonicContact OD2-NH1 3.51Å; D198-R205 PolarHBondContact OD2-NH1 2.79Å; D198-R222 HydrophobicContact CB-CG 4.15Å; D198-R222 VanDerWaalsContact O-CZ 3.31Å; D198-R222 PolarHBondContact O-NE 2.78Å; D198-R222 PolarHBondContact O-NH2 2.87Å; D198-Y225 HydrophobicContact CB-CD2 4.15Å; D198-F227 WeakPolarHBondContact O-CZ 3.32Å
199	A	92.1	Very high	78.1	Confident	21 Å²	21	65 Å²	65	17%	0.174	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-26.5	171.1	0	0	0	0	0	113.6	D196 V201 Y225 F227 P239	D196-A199 HydrophobicContact CB-CB 3.95Å; D196-A199 WeakPolarHBondContact O-CA 3.47Å; D196-A199 WeakPolarHBondContact O-CB 3.46Å; D196-A199 PolarHBondContact O-N 3.27Å; A199-V201 PolarHBondContact O-N 3.46Å; A199-Y225 HydrophobicContact CB-CD1 4.27Å; A199-Y225 HydrophobicContact CB-CD2 4.06Å; A199-Y225 HydrophobicContact CB-CE1 4.08Å; A199-Y225 HydrophobicContact CB-CE2 3.87Å; A199-Y225 HydrophobicContact CB-CG 4.25Å; A199-F227 WeakPolarHBondContact O-CE1 3.15Å; A199-F227 WeakPolarHBondContact O-CZ 3.05Å; A199-P239 HydrophobicContact CB-CG 3.82Å; A199-P239 WeakPolarHBondContact O-CD 3.25Å; A199-P239 WeakPolarHBondContact O-CG 3.14Å
200	Q	91.4	Very high	80.8	Confident	90 Å²	90	62.3 Å²	62.3	42%	0.421	39%	0.393	S	S	.	.			trans	-74.2	110.4	-179.1	-71	178.7	41.6	0	0	112	P195 D196 C202 S203 R222	P195-Q200 PolarHBondContact O-NE2 3.02Å; D196-Q200 PolarHBondContact O-N 2.04Å; D196-Q200 VanDerWaalsContact O-N 3.12Å; Q200-C202 PolarHBondContact O-N 2.69Å; Q200-S203 VanDerWaalsContact O-CB 3.31Å; Q200-S203 WeakPolarHBondContact O-CB 3.22Å; Q200-S203 PolarHBondContact O-N 3.26Å; Q200-S203 VanDerWaalsContact O-N 3.1Å; Q200-S203 PolarHBondContact O-OG 2.04Å; Q200-S203 VanDerWaalsContact O-OG 3.08Å; Q200-R222 PolarHBondContact O-NH2 3.35Å
201	V	88.1	Confident	83	Confident	39 Å²	39	56.4 Å²	56.4	24%	0.236	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43	-59	-178.5	177.7	0	0	0	0	112.3	A199 S203 F227 V234 L561	A199-V201 PolarHBondContact O-N 3.46Å; V201-S203 VanDerWaalsContact C-N 3.31Å; V201-S203 PolarHBondContact O-N 2.91Å; V201-F227 HydrophobicContact CB-CE1 4.49Å; V201-F227 HydrophobicContact CG2-CD1 3.98Å; V201-F227 HydrophobicContact CG2-CE1 3.69Å; V201-V234 HydrophobicContact CG1-CG2 3.89Å; V201-V234 HydrophobicContact CG2-CB 4.45Å; V201-V234 HydrophobicContact CG2-CG1 4.29Å; V201-V234 HydrophobicContact CG2-CG2 4.39Å; V201-L561 HydrophobicContact CG1-CB 4.07Å; V201-L561 HydrophobicContact CG1-CD1 4.04Å; V201-L561 HydrophobicContact CG1-CD2 4.37Å; V201-L561 HydrophobicContact CG1-CG 4.39Å; V201-L561 VanDerWaalsContact O-CD1 3.3Å; V201-L561 WeakPolarHBondContact O-CD1 3.4Å
202	C	88.9	Confident	85.4	Confident	76 Å²	76	51 Å²	51	51%	0.514	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	27.5	-174.8	-59	0	0	0	0	115.1	Q200 G204 C563	Q200-C202 PolarHBondContact O-N 2.69Å; C202-G204 PolarHBondContact O-N 2.04Å; C202-C563 WeakPolarHBondContact CA-SG 3.39Å; C202-C563 HydrophobicContact CB-CB 3.81Å; C202-C563 WeakPolarHBondContact CB-SG 3.32Å; C202-C563 WeakPolarHBondContact SG-CB 3.25Å; C202-C563 CovalentContact SG-SG 2.03Å; C202-C563 PolarHBondContact SG-SG 3Å
203	S	89.3	Confident	87.3	Confident	37 Å²	37	46 Å²	46	26%	0.259	29%	0.291	S	S	.	.	S	Bend	trans	-71.9	-6	-178.4	63.8	0	0	0	0	115.6	P197 Q200 V201 R205 R222	P197-S203 WeakPolarHBondContact O-CB 3.41Å; P197-S203 PolarHBondContact O-OG 2.9Å; Q200-S203 VanDerWaalsContact O-CB 3.31Å; Q200-S203 WeakPolarHBondContact O-CB 3.22Å; Q200-S203 PolarHBondContact O-N 3.26Å; Q200-S203 VanDerWaalsContact O-N 3.1Å; Q200-S203 PolarHBondContact O-OG 2.04Å; Q200-S203 VanDerWaalsContact O-OG 3.08Å; V201-S203 VanDerWaalsContact C-N 3.31Å; V201-S203 PolarHBondContact O-N 2.91Å; S203-R205 PolarHBondContact O-N 3.49Å; S203-R222 PolarHBondContact OG-NH1 2.88Å; S203-R222 PolarHBondContact OG-NH2 2.96Å
204	G	86.4	Confident	88.7	Confident	46 Å²	46	44.5 Å²	44.5	47%	0.474	27%	0.27	S	S	.	.			trans	71	3.9	-177.1	0	0	0	0	0	114.8	C202	C202-G204 PolarHBondContact O-N 2.04Å
205	R	90.8	Very high	89.8	Confident	107 Å²	107	44.2 Å²	44.2	40%	0.404	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-78.1	144	176.2	-70.6	-171.4	168.8	-160.5	-0.3	112.1	D198 S203 R222	D198-R205 WeakPolarHBondContact OD1-CD 3.41Å; D198-R205 IonicContact OD1-CZ 2.78Å; D198-R205 IonicContact OD1-NE 3.36Å; D198-R205 IonicContact OD1-NH1 3.61Å; D198-R205 PolarHBondContact OD1-NH1 3.1Å; D198-R205 IonicContact OD2-NH1 3.51Å; D198-R205 PolarHBondContact OD2-NH1 2.79Å; S203-R205 PolarHBondContact O-N 3.49Å; R205-R222 PolarHBondContact O-NH1 2.81Å; R205-R222 VanDerWaalsContact O-NH1 3.12Å
206	P	92.4	Very high	89.8	Confident	53 Å²	53	40.2 Å²	40.2	34%	0.344	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-58.6	158.8	174.4	26.4	-35.6	0	0	0	112.1	R222 A532	P206-R222 WeakPolarHBondContact O-CD 3.48Å; P206-R222 VanDerWaalsContact O-CG 3.27Å; P206-R222 WeakPolarHBondContact O-CG 3.07Å; P206-A532 WeakPolarHBondContact CA-O 3.33Å; P206-A532 WeakPolarHBondContact CB-O 3.33Å
207	F	95	Very high	89.5	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.013	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-95.9	141.6	165.1	-66.6	-84.3	0	0	0	109.3	S209 F210 A220 F221 R222 F227 I556 L561	F207-S209 VanDerWaalsContact C-N 3.34Å; F207-F210 HydrophobicContact CB-CD2 4.19Å; F207-F210 HydrophobicContact CB-CE2 3.61Å; F207-F210 HydrophobicContact CB-CZ 4.25Å; F207-F210 AromaticContact CD2-CE2 3.82Å; F207-F210 HydrophobicContact CD2-CE2 3.82Å; F207-F210 AromaticContact CD2-CZ 3.67Å; F207-F210 HydrophobicContact CD2-CZ 3.67Å; F207-F210 HydrophobicContact CE2-CZ 4.25Å; F207-F210 AromaticContact CG-CE2 3.9Å; F207-F210 HydrophobicContact CG-CE2 3.9Å; F207-F210 HydrophobicContact CG-CZ 4.02Å; F207-A220 HydrophobicContact CD1-CB 3.58Å; F207-A220 HydrophobicContact CE1-CB 3.79Å; F207-A220 HydrophobicContact CG-CB 4.04Å; F207-A220 HydrophobicContact CZ-CB 4.4Å; F207-F221 CarbonylContact C-O 3.46Å; F207-F221 VanDerWaalsContact CA-O 3.31Å; F207-F221 WeakPolarHBondContact CA-O 3.36Å; F207-F221 WeakPolarHBondContact CB-O 3.21Å; F207-R222 HydrophobicContact CD1-CB 3.86Å; F207-R222 HydrophobicContact CE1-CB 4.35Å; F207-F227 AromaticContact CE1-CD2 3.72Å; F207-F227 HydrophobicContact CE1-CD2 3.72Å; F207-F227 AromaticContact CE1-CE2 3.99Å; F207-F227 HydrophobicContact CE1-CE2 3.99Å; F207-F227 HydrophobicContact CE1-CG 4.45Å; F207-I556 HydrophobicContact CD2-CG2 4.06Å; F207-I556 HydrophobicContact CE2-CG2 3.77Å; F207-L561 HydrophobicContact CE2-CD1 4.01Å; F207-L561 HydrophobicContact CE2-CD2 4.09Å; F207-L561 HydrophobicContact CE2-CG 4.44Å; F207-L561 HydrophobicContact CZ-CD1 3.96Å; F207-L561 HydrophobicContact CZ-CD2 3.85Å; F207-L561 HydrophobicContact CZ-CG 4.48Å
208	D	96.8	Very high	89.4	Confident	49 Å²	49	36.1 Å²	36.1	26%	0.262	21%	0.21	S	C	.	.	S	Bend	trans	-79.3	-20.7	178.2	-44.1	-48.8	0	0	0	111.7	F221 R222 G223 P251 I252	D208-F221 PolarHBondContact N-O 3.43Å; D208-R222 VanDerWaalsContact OD2-CA 3.23Å; D208-R222 WeakPolarHBondContact OD2-CA 3.18Å; D208-G223 PolarHBondContact OD2-N 2.87Å; D208-P251 HydrophobicContact CB-CB 4.14Å; D208-P251 WeakPolarHBondContact OD2-CB 3.46Å; D208-I252 CarbonylContact C-O 3.52Å; D208-I252 WeakPolarHBondContact CB-O 3.19Å; D208-I252 VanDerWaalsContact O-O 3.14Å
209	S	96.7	Very high	89.5	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	156.6	177.6	-107.4	0	0	0	0	113.6	F207 A220 F221 I252 D253 A254 A255	F207-S209 VanDerWaalsContact C-N 3.34Å; S209-A220 CarbonylContact O-C 3.55Å; S209-A220 WeakPolarHBondContact O-CA 3.23Å; S209-F221 PolarHBondContact O-N 3.08Å; S209-I252 PolarHBondContact OG-O 2.82Å; S209-D253 PolarHBondContact OG-O 3.47Å; S209-A254 WeakPolarHBondContact OG-CA 3.23Å; S209-A254 PolarHBondContact OG-N 3.06Å; S209-A255 PolarHBondContact OG-N 2.86Å
210	F	94.9	Very high	89.6	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.8	168.1	-80.7	-99	0	0	0	109.3	F207 I218 Y219 A220 M229 A396 M398 F530 W560	F207-F210 HydrophobicContact CB-CD2 4.19Å; F207-F210 HydrophobicContact CB-CE2 3.61Å; F207-F210 HydrophobicContact CB-CZ 4.25Å; F207-F210 AromaticContact CD2-CE2 3.82Å; F207-F210 HydrophobicContact CD2-CE2 3.82Å; F207-F210 AromaticContact CD2-CZ 3.67Å; F207-F210 HydrophobicContact CD2-CZ 3.67Å; F207-F210 HydrophobicContact CE2-CZ 4.25Å; F207-F210 AromaticContact CG-CE2 3.9Å; F207-F210 HydrophobicContact CG-CE2 3.9Å; F207-F210 HydrophobicContact CG-CZ 4.02Å; F210-I218 HydrophobicContact CD1-CG2 4.27Å; F210-Y219 CarbonylContact C-O 3.58Å; F210-Y219 WeakPolarHBondContact CA-O 3.5Å; F210-A220 HydrophobicContact CD1-CB 3.77Å; F210-A220 HydrophobicContact CE1-CB 3.55Å; F210-A220 HydrophobicContact CE2-CB 4.45Å; F210-A220 HydrophobicContact CG-CB 4.31Å; F210-A220 HydrophobicContact CZ-CB 3.93Å; F210-M229 HydrophobicContact CE1-CE 4.04Å; F210-M229 HydrophobicContact CE1-SD 4.32Å; F210-A396 HydrophobicContact CD2-CB 3.9Å; F210-M398 HydrophobicContact CB-CB 4.03Å; F210-M398 HydrophobicContact CB-SD 4.28Å; F210-F530 HydrophobicContact CB-CE2 4.06Å; F210-F530 HydrophobicContact CD1-CE2 4.2Å; F210-F530 AromaticContact CD1-CZ 3.95Å; F210-F530 HydrophobicContact CD1-CZ 3.95Å; F210-F530 HydrophobicContact CD2-CD1 4.05Å; F210-F530 AromaticContact CD2-CD2 3.47Å; F210-F530 HydrophobicContact CD2-CD2 3.47Å; F210-F530 VanDerWaalsContact CD2-CD2 3.47Å; F210-F530 HydrophobicContact CD2-CE1 4.07Å; F210-F530 AromaticContact CD2-CE2 3.49Å; F210-F530 HydrophobicContact CD2-CE2 3.49Å; F210-F530 VanDerWaalsContact CD2-CE2 3.49Å; F210-F530 AromaticContact CD2-CG 3.77Å; F210-F530 HydrophobicContact CD2-CG 3.77Å; F210-F530 AromaticContact CD2-CZ 3.8Å; F210-F530 HydrophobicContact CD2-CZ 3.8Å; F210-F530 HydrophobicContact CE1-CE1 4.03Å; F210-F530 AromaticContact CE1-CZ 3.91Å; F210-F530 HydrophobicContact CE1-CZ 3.91Å; F210-F530 HydrophobicContact CE2-CB 4.34Å; F210-F530 AromaticContact CE2-CD1 3.44Å; F210-F530 HydrophobicContact CE2-CD1 3.44Å; F210-F530 VanDerWaalsContact CE2-CD1 3.44Å; F210-F530 AromaticContact CE2-CD2 3.76Å; F210-F530 HydrophobicContact CE2-CD2 3.76Å; F210-F530 AromaticContact CE2-CE1 3.53Å; F210-F530 HydrophobicContact CE2-CE1 3.53Å; F210-F530 AromaticContact CE2-CE2 3.86Å; F210-F530 HydrophobicContact CE2-CE2 3.86Å; F210-F530 AromaticContact CE2-CG 3.56Å; F210-F530 HydrophobicContact CE2-CG 3.56Å; F210-F530 AromaticContact CE2-CZ 3.74Å; F210-F530 HydrophobicContact CE2-CZ 3.74Å; F210-F530 HydrophobicContact CG-CD2 4.12Å; F210-F530 AromaticContact CG-CE2 3.67Å; F210-F530 HydrophobicContact CG-CE2 3.67Å; F210-F530 AromaticContact CG-CZ 3.9Å; F210-F530 HydrophobicContact CG-CZ 3.9Å; F210-F530 AromaticContact CZ-CD1 3.84Å; F210-F530 HydrophobicContact CZ-CD1 3.84Å; F210-F530 AromaticContact CZ-CE1 3.52Å; F210-F530 HydrophobicContact CZ-CE1 3.52Å; F210-F530 HydrophobicContact CZ-CE2 4.36Å; F210-F530 HydrophobicContact CZ-CG 4.39Å; F210-F530 AromaticContact CZ-CZ 3.8Å; F210-F530 HydrophobicContact CZ-CZ 3.8Å; F210-W560 HydrophobicContact CE1-CE3 4.09Å; F210-W560 HydrophobicContact CE1-CZ3 4.45Å
211	M	92.3	Very high	89.9	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157.9	166.3	71.6	-179.8	-176	0	0	110.8	L213 I218 Y219 F221 W246 A255 T265 M267	M211-L213 HydrophobicContact CE-CD1 4.39Å; M211-L213 HydrophobicContact CE-CD2 3.6Å; M211-L213 HydrophobicContact CE-CG 3.96Å; M211-L213 HydrophobicContact SD-CD2 4.12Å; M211-I218 WeakPolarHBondContact O-CA 3.32Å; M211-Y219 HydrophobicContact CE-CD1 4.45Å; M211-Y219 HydrophobicContact CE-CD2 3.69Å; M211-Y219 HydrophobicContact CE-CG 3.68Å; M211-Y219 PolarHBondContact N-O 3.17Å; M211-Y219 PolarHBondContact O-N 2.78Å; M211-F221 HydrophobicContact CE-CE2 3.99Å; M211-F221 HydrophobicContact CE-CZ 3.75Å; M211-F221 HydrophobicContact CG-CE2 3.99Å; M211-F221 HydrophobicContact SD-CE2 3.96Å; M211-F221 HydrophobicContact SD-CZ 4.16Å; M211-W246 HydrophobicContact CE-CH2 3.8Å; M211-W246 HydrophobicContact CE-CZ2 3.6Å; M211-A255 HydrophobicContact CB-CB 3.96Å; M211-A255 HydrophobicContact CG-CB 4.39Å; M211-A255 HydrophobicContact SD-CB 4.05Å; M211-T265 HydrophobicContact CE-CG2 4.46Å; M211-T265 HydrophobicContact SD-CG2 3.66Å; M211-M267 HydrophobicContact CE-CE 3.57Å; M211-M267 HydrophobicContact SD-CE 3.71Å
212	Q	89.5	Confident	90.3	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.065	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129	165.3	-168.8	167.7	56.6	0	0	109	G216 S217 I218 T257 L350 M398	Q212-G216 PolarHBondContact NE2-O 2.91Å; Q212-G216 VanDerWaalsContact NE2-O 3.09Å; Q212-S217 CarbonylContact C-O 3.48Å; Q212-S217 WeakPolarHBondContact CA-O 3.35Å; Q212-I218 HydrophobicContact CB-CG1 4.37Å; Q212-I218 HydrophobicContact CG-CG1 4.02Å; Q212-T257 WeakPolarHBondContact O-CB 3.44Å; Q212-T257 PolarHBondContact O-OG1 2.86Å; Q212-L350 HydrophobicContact CB-CD1 4.34Å; Q212-L350 HydrophobicContact CG-CD1 4.17Å; Q212-L350 HydrophobicContact CG-CD2 3.96Å; Q212-L350 VanDerWaalsContact OE1-CD2 3.23Å; Q212-M398 HydrophobicContact CB-SD 4.25Å
213	L	87.7	Confident	90.6	Very high	21 Å²	21	25.8 Å²	25.8	11%	0.11	15%	0.15	C	C	.	.			trans	-80.8	166.4	178.6	-72.7	-178.9	0	0	0	111.9	M211 N215 G216 S217 Y219 W246 T265 L350	M211-L213 HydrophobicContact CE-CD1 4.39Å; M211-L213 HydrophobicContact CE-CD2 3.6Å; M211-L213 HydrophobicContact CE-CG 3.96Å; M211-L213 HydrophobicContact SD-CD2 4.12Å; L213-N215 VanDerWaalsContact CB-OD1 3.31Å; L213-N215 WeakPolarHBondContact CB-OD1 3.06Å; L213-N215 PolarHBondContact O-N 2.69Å; L213-G216 PolarHBondContact O-N 3.12Å; L213-S217 PolarHBondContact N-O 2.85Å; L213-Y219 HydrophobicContact CD1-CD1 3.85Å; L213-Y219 HydrophobicContact CD1-CE1 3.44Å; L213-Y219 VanDerWaalsContact CD1-CE1 3.44Å; L213-Y219 HydrophobicContact CD1-CE2 4.18Å; L213-Y219 HydrophobicContact CD1-CG 4.44Å; L213-Y219 HydrophobicContact CG-CD1 4.13Å; L213-Y219 HydrophobicContact CG-CE1 4.2Å; L213-W246 HydrophobicContact CD1-CH2 4.19Å; L213-W246 HydrophobicContact CD1-CZ2 4.42Å; L213-W246 HydrophobicContact CD2-CH2 4.06Å; L213-T265 HydrophobicContact CD2-CG2 3.98Å; L213-L350 WeakPolarHBondContact O-CD1 3.16Å
214	K	85.1	Confident	91	Very high	45 Å²	45	29.1 Å²	29.1	20%	0.196	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-30.5	179.2	63.8	163.9	-170.7	169.8	0	114.3	G216 D278 S346 S348 T349	K214-G216 VanDerWaalsContact C-N 3.34Å; K214-D278 WeakPolarHBondContact CD-OD1 3.43Å; K214-D278 WeakPolarHBondContact CE-OD1 3.48Å; K214-D278 IonicContact NZ-OD1 2.9Å; K214-D278 PolarHBondContact NZ-OD1 3.2Å; K214-D278 IonicContact NZ-OD2 3.91Å; K214-D278 PolarHBondContact NZ-OD2 3.16Å; K214-S346 PolarHBondContact NZ-OG 2.77Å; K214-S348 CarbonylContact O-C 3.49Å; K214-T349 WeakPolarHBondContact O-CA 3.06Å; K214-T349 WeakPolarHBondContact O-CB 3.33Å; K214-T349 PolarHBondContact O-N 3.45Å; K214-T349 PolarHBondContact O-OG1 3.3Å
215	N	78.8	Confident	91.5	Very high	83 Å²	83	29.2 Å²	29.2	44%	0.444	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.6	180	70.9	-23.3	0	0	0	113.7	L213 S217	L213-N215 VanDerWaalsContact CB-OD1 3.31Å; L213-N215 WeakPolarHBondContact CB-OD1 3.06Å; L213-N215 PolarHBondContact O-N 2.69Å; N215-S217 PolarHBondContact ND2-OG 3.04Å; N215-S217 WeakPolarHBondContact OD1-CB 3.05Å; N215-S217 PolarHBondContact OD1-N 3.11Å
216	G	77.8	Confident	91.7	Very high	10 Å²	10	24.1 Å²	24.1	10%	0.103	13%	0.129	C	C	.	.	S	Bend	trans	88	-3.8	-175.1	0	0	0	0	0	116	Q212 L213 K214	Q212-G216 PolarHBondContact NE2-O 2.91Å; Q212-G216 VanDerWaalsContact NE2-O 3.09Å; L213-G216 PolarHBondContact O-N 3.12Å; K214-G216 VanDerWaalsContact C-N 3.34Å
217	S	83.8	Confident	91.8	Very high	26 Å²	26	21.6 Å²	21.6	18%	0.182	11%	0.113	C	C	.	.			trans	-61.6	140.4	170.7	-71.4	0	0	0	0	110.4	Q212 L213 N215 E228	Q212-S217 CarbonylContact C-O 3.48Å; Q212-S217 WeakPolarHBondContact CA-O 3.35Å; L213-S217 PolarHBondContact N-O 2.85Å; N215-S217 PolarHBondContact ND2-OG 3.04Å; N215-S217 WeakPolarHBondContact OD1-CB 3.05Å; N215-S217 PolarHBondContact OD1-N 3.11Å; S217-E228 WeakPolarHBondContact CB-OE1 3.42Å; S217-E228 PolarHBondContact OG-OE1 3.05Å
218	I	88.8	Confident	91.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.4	176.4	-57.3	-178.2	0	0	0	109.3	T91 F92 F210 M211 Q212 E228 M229 M398	T91-I218 HydrophobicContact CG2-CD1 3.44Å; T91-I218 VanDerWaalsContact CG2-CD1 3.44Å; F92-I218 HydrophobicContact CE1-CD1 3.71Å; F92-I218 HydrophobicContact CE1-CG1 4.32Å; F92-I218 HydrophobicContact CE2-CD1 4.11Å; F92-I218 HydrophobicContact CZ-CD1 3.37Å; F92-I218 HydrophobicContact CZ-CG1 4.31Å; F210-I218 HydrophobicContact CD1-CG2 4.27Å; M211-I218 WeakPolarHBondContact O-CA 3.32Å; Q212-I218 HydrophobicContact CB-CG1 4.37Å; Q212-I218 HydrophobicContact CG-CG1 4.02Å; I218-E228 CarbonylContact O-C 3.58Å; I218-E228 WeakPolarHBondContact O-CA 3.43Å; I218-M229 HydrophobicContact CB-CG 3.73Å; I218-M229 HydrophobicContact CB-SD 4.43Å; I218-M229 HydrophobicContact CG2-CG 3.88Å; I218-M229 HydrophobicContact CG2-SD 3.96Å; I218-M229 PolarHBondContact O-N 2.88Å; I218-M398 HydrophobicContact CD1-CE 3.99Å; I218-M398 HydrophobicContact CD1-SD 4.33Å; I218-M398 HydrophobicContact CG1-SD 4.44Å; I218-M398 HydrophobicContact CG2-CE 4.24Å; I218-M398 HydrophobicContact CG2-SD 3.73Å
219	Y	93.3	Very high	90.7	Very high	23 Å²	23	20.4 Å²	20.4	9%	0.09	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.6	-176.6	-80.9	54.5	0	0	0	108.2	F210 M211 L213 F226 F227 E228 W246	F210-Y219 CarbonylContact C-O 3.58Å; F210-Y219 WeakPolarHBondContact CA-O 3.5Å; M211-Y219 HydrophobicContact CE-CD1 4.45Å; M211-Y219 HydrophobicContact CE-CD2 3.69Å; M211-Y219 HydrophobicContact CE-CG 3.68Å; M211-Y219 PolarHBondContact N-O 3.17Å; M211-Y219 PolarHBondContact O-N 2.78Å; L213-Y219 HydrophobicContact CD1-CD1 3.85Å; L213-Y219 HydrophobicContact CD1-CE1 3.44Å; L213-Y219 VanDerWaalsContact CD1-CE1 3.44Å; L213-Y219 HydrophobicContact CD1-CE2 4.18Å; L213-Y219 HydrophobicContact CD1-CG 4.44Å; L213-Y219 HydrophobicContact CG-CD1 4.13Å; L213-Y219 HydrophobicContact CG-CE1 4.2Å; Y219-F226 AromaticContact CD2-CD2 3.42Å; Y219-F226 HydrophobicContact CD2-CD2 3.42Å; Y219-F226 VanDerWaalsContact CD2-CD2 3.42Å; Y219-F226 AromaticContact CD2-CE2 3.5Å; Y219-F226 HydrophobicContact CD2-CE2 3.5Å; Y219-F226 VanDerWaalsContact CD2-CE2 3.5Å; Y219-F226 HydrophobicContact CD2-CG 4.5Å; Y219-F226 AromaticContact CE2-CD2 3.72Å; Y219-F226 HydrophobicContact CE2-CD2 3.72Å; Y219-F226 AromaticContact CE2-CE2 3.24Å; Y219-F226 HydrophobicContact CE2-CE2 3.24Å; Y219-F226 HydrophobicContact CE2-CZ 4.19Å; Y219-F226 HydrophobicContact CG-CD2 4.4Å; Y219-F227 WeakPolarHBondContact CA-O 3.45Å; Y219-E228 HydrophobicContact CD1-CB 4.35Å; Y219-E228 HydrophobicContact CD1-CG 4Å; Y219-E228 HydrophobicContact CE1-CB 3.99Å; Y219-E228 VanDerWaalsContact CE1-CD 3.44Å; Y219-E228 HydrophobicContact CE1-CG 3.46Å; Y219-E228 VanDerWaalsContact CE1-CG 3.46Å; Y219-E228 VanDerWaalsContact CE1-OE1 3.25Å; Y219-E228 WeakPolarHBondContact CE1-OE1 3.25Å; Y219-E228 VanDerWaalsContact OH-CD 3.27Å; Y219-E228 PolarHBondContact OH-OE1 3.15Å; Y219-E228 PolarHBondContact OH-OE2 2.97Å; Y219-W246 AromaticContact CD2-CZ2 3.81Å; Y219-W246 HydrophobicContact CD2-CZ2 3.81Å; Y219-W246 AromaticContact CE2-CZ2 3.58Å; Y219-W246 HydrophobicContact CE2-CZ2 3.58Å
220	A	94.8	Very high	89.3	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.6	174	0	0	0	0	0	110.4	F207 S209 F210 F226 F227 M229	F207-A220 HydrophobicContact CD1-CB 3.58Å; F207-A220 HydrophobicContact CE1-CB 3.79Å; F207-A220 HydrophobicContact CG-CB 4.04Å; F207-A220 HydrophobicContact CZ-CB 4.4Å; S209-A220 CarbonylContact O-C 3.55Å; S209-A220 WeakPolarHBondContact O-CA 3.23Å; F210-A220 HydrophobicContact CD1-CB 3.77Å; F210-A220 HydrophobicContact CE1-CB 3.55Å; F210-A220 HydrophobicContact CE2-CB 4.45Å; F210-A220 HydrophobicContact CG-CB 4.31Å; F210-A220 HydrophobicContact CZ-CB 3.93Å; A220-F226 CarbonylContact O-C 3.5Å; A220-F226 WeakPolarHBondContact O-CA 3.05Å; A220-F226 WeakPolarHBondContact O-CB 3.35Å; A220-F227 PolarHBondContact N-O 3.24Å; A220-F227 PolarHBondContact O-N 2.89Å; A220-M229 HydrophobicContact CB-CE 3.51Å
221	F	96.7	Very high	87.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138	-174.1	-65.2	-89.1	0	0	0	110.7	F207 D208 S209 M211 F226 I242 I252 A255 M267	F207-F221 CarbonylContact C-O 3.46Å; F207-F221 VanDerWaalsContact CA-O 3.31Å; F207-F221 WeakPolarHBondContact CA-O 3.36Å; F207-F221 WeakPolarHBondContact CB-O 3.21Å; D208-F221 PolarHBondContact N-O 3.43Å; S209-F221 PolarHBondContact O-N 3.08Å; M211-F221 HydrophobicContact CE-CE2 3.99Å; M211-F221 HydrophobicContact CE-CZ 3.75Å; M211-F221 HydrophobicContact CG-CE2 3.99Å; M211-F221 HydrophobicContact SD-CE2 3.96Å; M211-F221 HydrophobicContact SD-CZ 4.16Å; F221-F226 HydrophobicContact CD1-CB 3.57Å; F221-F226 HydrophobicContact CD1-CG 4.5Å; F221-F226 HydrophobicContact CE1-CB 3.72Å; F221-F226 HydrophobicContact CE1-CG 4.21Å; F221-F226 HydrophobicContact CG-CB 4.24Å; F221-I242 HydrophobicContact CD1-CD1 3.81Å; F221-I242 HydrophobicContact CD1-CG1 3.88Å; F221-I242 HydrophobicContact CE1-CG1 4.24Å; F221-I242 HydrophobicContact CE1-CG2 4.32Å; F221-I252 HydrophobicContact CB-CB 4.42Å; F221-I252 HydrophobicContact CD1-CB 4.4Å; F221-I252 HydrophobicContact CD1-CG1 3.94Å; F221-I252 HydrophobicContact CE1-CG1 4.35Å; F221-I252 HydrophobicContact CG-CB 4.33Å; F221-I252 HydrophobicContact CG-CG1 4.37Å; F221-A255 HydrophobicContact CE2-CB 4.29Å; F221-M267 HydrophobicContact CE1-CE 4.3Å; F221-M267 HydrophobicContact CE2-CE 4.49Å; F221-M267 HydrophobicContact CZ-CE 3.64Å; F221-M267 HydrophobicContact CZ-SD 4.32Å
222	R	96.1	Very high	85.9	Confident	3 Å²	3	33.3 Å²	33.3	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	119.3	176	-171.5	171.2	63.8	-166.9	0.8	111.6	D198 Q200 S203 R205 P206 F207 D208 E224 Y225 F227	D198-R222 HydrophobicContact CB-CG 4.15Å; D198-R222 VanDerWaalsContact O-CZ 3.31Å; D198-R222 PolarHBondContact O-NE 2.78Å; D198-R222 PolarHBondContact O-NH2 2.87Å; Q200-R222 PolarHBondContact O-NH2 3.35Å; S203-R222 PolarHBondContact OG-NH1 2.88Å; S203-R222 PolarHBondContact OG-NH2 2.96Å; R205-R222 PolarHBondContact O-NH1 2.81Å; R205-R222 VanDerWaalsContact O-NH1 3.12Å; P206-R222 WeakPolarHBondContact O-CD 3.48Å; P206-R222 VanDerWaalsContact O-CG 3.27Å; P206-R222 WeakPolarHBondContact O-CG 3.07Å; F207-R222 HydrophobicContact CD1-CB 3.86Å; F207-R222 HydrophobicContact CE1-CB 4.35Å; D208-R222 VanDerWaalsContact OD2-CA 3.23Å; D208-R222 WeakPolarHBondContact OD2-CA 3.18Å; R222-E224 PolarHBondContact O-N 2.81Å; R222-Y225 PolarHBondContact N-O 3.24Å; R222-Y225 WeakPolarHBondContact O-CB 3.47Å; R222-Y225 PolarHBondContact O-N 3.41Å; R222-F227 HydrophobicContact CB-CE2 4.38Å
223	G	96.1	Very high	84.9	Confident	16 Å²	16	35 Å²	35	17%	0.165	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-132.5	-175.8	0	0	0	0	0	110.8	D208 Y225 I242 G250 P251	D208-G223 PolarHBondContact OD2-N 2.87Å; G223-Y225 PolarHBondContact O-N 3.19Å; G223-I242 WeakPolarHBondContact O-CD1 3.39Å; G223-G250 VanDerWaalsContact O-CA 3.28Å; G223-G250 WeakPolarHBondContact O-CA 3.4Å; G223-P251 WeakPolarHBondContact O-CA 3.31Å
224	E	96.7	Very high	84.6	Confident	108 Å²	108	34.9 Å²	34.9	51%	0.505	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.1	175.2	-59.8	-153.2	117	0	0	114.3	R222 L241 I242	R222-E224 PolarHBondContact O-N 2.81Å; E224-L241 HydrophobicContact CB-CD2 3.98Å; E224-L241 WeakPolarHBondContact O-CA 3.49Å; E224-I242 WeakPolarHBondContact O-CG1 3.05Å; E224-I242 PolarHBondContact O-N 3.45Å
225	Y	96.8	Very high	84.6	Confident	48 Å²	48	35.1 Å²	35.1	19%	0.188	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	155.2	-168.8	-59.5	-77.6	0	0	0	113.7	D196 D198 A199 R222 G223 P239 K240 L241	D196-Y225 HydrophobicContact CB-CE2 4.05Å; D198-Y225 HydrophobicContact CB-CD2 4.15Å; A199-Y225 HydrophobicContact CB-CD1 4.27Å; A199-Y225 HydrophobicContact CB-CD2 4.06Å; A199-Y225 HydrophobicContact CB-CE1 4.08Å; A199-Y225 HydrophobicContact CB-CE2 3.87Å; A199-Y225 HydrophobicContact CB-CG 4.25Å; R222-Y225 PolarHBondContact N-O 3.24Å; R222-Y225 WeakPolarHBondContact O-CB 3.47Å; R222-Y225 PolarHBondContact O-N 3.41Å; G223-Y225 PolarHBondContact O-N 3.19Å; Y225-P239 HydrophobicContact CD1-CB 4Å; Y225-P239 HydrophobicContact CD1-CG 4.2Å; Y225-P239 HydrophobicContact CG-CB 4.25Å; Y225-K240 CarbonylContact C-O 3.59Å; Y225-K240 WeakPolarHBondContact CA-O 3.21Å; Y225-L241 HydrophobicContact CD1-CD2 3.86Å; Y225-L241 HydrophobicContact CD1-CG 4.44Å; Y225-L241 HydrophobicContact CE1-CD2 3.48Å; Y225-L241 VanDerWaalsContact CE1-CD2 3.48Å; Y225-L241 HydrophobicContact CE1-CG 4.13Å
226	F	95.7	Very high	84.8	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.6	164	76.8	-81.9	0	0	0	112.3	Y219 A220 F221 Y238 P239 K240 I242 V245 W246	Y219-F226 AromaticContact CD2-CD2 3.42Å; Y219-F226 HydrophobicContact CD2-CD2 3.42Å; Y219-F226 VanDerWaalsContact CD2-CD2 3.42Å; Y219-F226 AromaticContact CD2-CE2 3.5Å; Y219-F226 HydrophobicContact CD2-CE2 3.5Å; Y219-F226 VanDerWaalsContact CD2-CE2 3.5Å; Y219-F226 HydrophobicContact CD2-CG 4.5Å; Y219-F226 AromaticContact CE2-CD2 3.72Å; Y219-F226 HydrophobicContact CE2-CD2 3.72Å; Y219-F226 AromaticContact CE2-CE2 3.24Å; Y219-F226 HydrophobicContact CE2-CE2 3.24Å; Y219-F226 HydrophobicContact CE2-CZ 4.19Å; Y219-F226 HydrophobicContact CG-CD2 4.4Å; A220-F226 CarbonylContact O-C 3.5Å; A220-F226 WeakPolarHBondContact O-CA 3.05Å; A220-F226 WeakPolarHBondContact O-CB 3.35Å; F221-F226 HydrophobicContact CD1-CB 3.57Å; F221-F226 HydrophobicContact CD1-CG 4.5Å; F221-F226 HydrophobicContact CE1-CB 3.72Å; F221-F226 HydrophobicContact CE1-CG 4.21Å; F221-F226 HydrophobicContact CG-CB 4.24Å; F226-Y238 HydrophobicContact CD2-CE1 4.13Å; F226-Y238 HydrophobicContact CE2-CD1 4.26Å; F226-Y238 AromaticContact CE2-CE1 3.49Å; F226-Y238 HydrophobicContact CE2-CE1 3.49Å; F226-Y238 VanDerWaalsContact CE2-CE1 3.49Å; F226-Y238 HydrophobicContact CZ-CE1 4.01Å; F226-P239 VanDerWaalsContact O-CA 3.31Å; F226-P239 WeakPolarHBondContact O-CA 3.43Å; F226-K240 HydrophobicContact CD1-CB 4.34Å; F226-K240 WeakPolarHBondContact CD1-O 3.43Å; F226-K240 HydrophobicContact CE1-CB 3.69Å; F226-K240 HydrophobicContact CZ-CB 3.9Å; F226-K240 HydrophobicContact CZ-CD 4.29Å; F226-K240 PolarHBondContact N-O 3.29Å; F226-K240 PolarHBondContact O-N 3.38Å; F226-I242 HydrophobicContact CB-CG1 4.13Å; F226-I242 HydrophobicContact CD1-CB 4.45Å; F226-I242 HydrophobicContact CD1-CG1 3.96Å; F226-V245 HydrophobicContact CE1-CB 3.81Å; F226-V245 HydrophobicContact CE1-CG1 4.33Å; F226-V245 HydrophobicContact CE1-CG2 3.82Å; F226-V245 HydrophobicContact CZ-CB 3.88Å; F226-V245 HydrophobicContact CZ-CG1 3.92Å; F226-V245 HydrophobicContact CZ-CG2 3.84Å; F226-W246 AromaticContact CE1-CD1 3.77Å; F226-W246 AromaticContact CE1-NE1 3.69Å; F226-W246 AromaticContact CE2-NE1 3.89Å; F226-W246 AromaticContact CZ-NE1 3.62Å
227	F	93.9	Very high	85	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.7	-175.7	-56.9	-99.8	0	0	0	108.6	D198 A199 V201 F207 Y219 A220 R222 V234 P239	D198-F227 WeakPolarHBondContact O-CZ 3.32Å; A199-F227 WeakPolarHBondContact O-CE1 3.15Å; A199-F227 WeakPolarHBondContact O-CZ 3.05Å; V201-F227 HydrophobicContact CB-CE1 4.49Å; V201-F227 HydrophobicContact CG2-CD1 3.98Å; V201-F227 HydrophobicContact CG2-CE1 3.69Å; F207-F227 AromaticContact CE1-CD2 3.72Å; F207-F227 HydrophobicContact CE1-CD2 3.72Å; F207-F227 AromaticContact CE1-CE2 3.99Å; F207-F227 HydrophobicContact CE1-CE2 3.99Å; F207-F227 HydrophobicContact CE1-CG 4.45Å; Y219-F227 WeakPolarHBondContact CA-O 3.45Å; A220-F227 PolarHBondContact N-O 3.24Å; A220-F227 PolarHBondContact O-N 2.89Å; R222-F227 HydrophobicContact CB-CE2 4.38Å; F227-V234 HydrophobicContact CB-CG1 4.22Å; F227-V234 HydrophobicContact CB-CG2 4.43Å; F227-V234 HydrophobicContact CD1-CG1 4.03Å; F227-P239 HydrophobicContact CD1-CB 3.96Å; F227-P239 HydrophobicContact CE1-CB 3.61Å; F227-P239 HydrophobicContact CE1-CG 3.94Å; F227-P239 HydrophobicContact CE2-CB 4.26Å; F227-P239 HydrophobicContact CG-CB 4.46Å; F227-P239 HydrophobicContact CZ-CB 3.77Å; F227-P239 HydrophobicContact CZ-CG 4.19Å
228	E	89.8	Confident	85.2	Confident	23 Å²	23	39.9 Å²	39.9	11%	0.107	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.6	164.9	-171.3	172.2	-154.2	0	0	109	S217 I218 Y219 L235 Y238	S217-E228 WeakPolarHBondContact CB-OE1 3.42Å; S217-E228 PolarHBondContact OG-OE1 3.05Å; I218-E228 CarbonylContact O-C 3.58Å; I218-E228 WeakPolarHBondContact O-CA 3.43Å; Y219-E228 HydrophobicContact CD1-CB 4.35Å; Y219-E228 HydrophobicContact CD1-CG 4Å; Y219-E228 HydrophobicContact CE1-CB 3.99Å; Y219-E228 VanDerWaalsContact CE1-CD 3.44Å; Y219-E228 HydrophobicContact CE1-CG 3.46Å; Y219-E228 VanDerWaalsContact CE1-CG 3.46Å; Y219-E228 VanDerWaalsContact CE1-OE1 3.25Å; Y219-E228 WeakPolarHBondContact CE1-OE1 3.25Å; Y219-E228 VanDerWaalsContact OH-CD 3.27Å; Y219-E228 PolarHBondContact OH-OE1 3.15Å; Y219-E228 PolarHBondContact OH-OE2 2.97Å; E228-L235 HydrophobicContact CB-CD1 4.26Å; E228-L235 HydrophobicContact CG-CD1 3.72Å; E228-L235 HydrophobicContact CG-CG 4.49Å; E228-L235 PolarHBondContact O-N 2.93Å; E228-Y238 HydrophobicContact CB-CD1 4.29Å; E228-Y238 HydrophobicContact CB-CD2 3.97Å; E228-Y238 HydrophobicContact CB-CE1 3.81Å; E228-Y238 HydrophobicContact CB-CE2 3.43Å; E228-Y238 VanDerWaalsContact CB-CE2 3.43Å; E228-Y238 HydrophobicContact CB-CG 4.35Å; E228-Y238 HydrophobicContact CG-CE2 4.38Å; E228-Y238 WeakPolarHBondContact OE2-CE2 3.36Å; E228-Y238 VanDerWaalsContact OE2-CZ 3.25Å; E228-Y238 PolarHBondContact OE2-OH 3.32Å
229	M	80.5	Confident	85.5	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.6	-178.2	63.9	-175.3	67.4	0	0	112	F210 I218 A220 S233 W560 L561	F210-M229 HydrophobicContact CE1-CE 4.04Å; F210-M229 HydrophobicContact CE1-SD 4.32Å; I218-M229 HydrophobicContact CB-CG 3.73Å; I218-M229 HydrophobicContact CB-SD 4.43Å; I218-M229 HydrophobicContact CG2-CG 3.88Å; I218-M229 HydrophobicContact CG2-SD 3.96Å; I218-M229 PolarHBondContact O-N 2.88Å; A220-M229 HydrophobicContact CB-CE 3.51Å; M229-S233 WeakPolarHBondContact CA-O 3.19Å; M229-S233 WeakPolarHBondContact CB-O 3.39Å; M229-W560 HydrophobicContact SD-CE3 4.07Å; M229-L561 HydrophobicContact CE-CD2 4.32Å
230	D	67	Low	85.5	Confident	58 Å²	58	44.6 Å²	44.6	31%	0.31	25%	0.247	S	C	.	.			trans	-106	-159.4	177.7	76.6	-2.2	0	0	0	111.3	R88 F92 K232 S233 L235	R88-D230 PolarHBondContact NH1-O 3.05Å; F92-D230 VanDerWaalsContact CE1-C 3.43Å; F92-D230 VanDerWaalsContact CE1-O 3.22Å; F92-D230 WeakPolarHBondContact CE1-O 3.4Å; F92-D230 WeakPolarHBondContact CZ-O 3.32Å; D230-K232 PolarHBondContact O-N 3.23Å; D230-K232 PolarHBondContact OD1-N 3.2Å; D230-S233 PolarHBondContact N-O 3.39Å; D230-S233 PolarHBondContact OD1-N 3.24Å; D230-L235 HydrophobicContact CB-CD2 3.84Å; D230-L235 HydrophobicContact CB-CG 4.45Å
231	Q	57.4	Low	85.5	Confident	59 Å²	59	47.4 Å²	47.4	28%	0.276	26%	0.261	S	S	.	.	S	Bend	trans	-73.1	-7.9	-177.2	-32.8	-159.4	24.6	0	0	113.7	R88 F92 F94	R88-Q231 WeakPolarHBondContact CD-O 3.42Å; F92-Q231 HydrophobicContact CB-CB 3.84Å; F92-Q231 HydrophobicContact CB-CG 3.95Å; F92-Q231 HydrophobicContact CD1-CB 3.83Å; F92-Q231 HydrophobicContact CD1-CG 3.61Å; F92-Q231 HydrophobicContact CE1-CG 4.42Å; F92-Q231 HydrophobicContact CG-CB 3.81Å; F92-Q231 HydrophobicContact CG-CG 4Å; F94-Q231 VanDerWaalsContact CD2-OE1 3.22Å
232	K	56.8	Low	85.4	Confident	159 Å²	159	47.4 Å²	47.4	69%	0.691	26%	0.261	S	S	*	.	S	Bend	trans	-136.1	-35.6	-168.3	-62.3	-171.8	177.9	-173.4	0	114.3	R88 D230	R88-K232 PolarHBondContact NE-O 2.78Å; R88-K232 PolarHBondContact NH2-O 2.82Å; D230-K232 PolarHBondContact O-N 3.23Å; D230-K232 PolarHBondContact OD1-N 3.2Å
233	S	68.7	Low	85.3	Confident	49 Å²	49	53.8 Å²	53.8	34%	0.343	29%	0.289	S	S	.	.	S	Bend	trans	-146.9	-179.1	-175.4	62	0	0	0	0	112.9	R88 M229 D230	R88-S233 VanDerWaalsContact CZ-N 3.33Å; R88-S233 PolarHBondContact NH1-O 3.37Å; R88-S233 VanDerWaalsContact NH1-O 3.08Å; M229-S233 WeakPolarHBondContact CA-O 3.19Å; M229-S233 WeakPolarHBondContact CB-O 3.39Å; D230-S233 PolarHBondContact N-O 3.39Å; D230-S233 PolarHBondContact OD1-N 3.24Å
234	V	83.1	Confident	85.1	Confident	19 Å²	19	58.9 Å²	58.9	12%	0.115	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-74.1	139.7	154	168.4	0	0	0	0	108	V201 F227 L561	V201-V234 HydrophobicContact CG1-CG2 3.89Å; V201-V234 HydrophobicContact CG2-CB 4.45Å; V201-V234 HydrophobicContact CG2-CG1 4.29Å; V201-V234 HydrophobicContact CG2-CG2 4.39Å; F227-V234 HydrophobicContact CB-CG1 4.22Å; F227-V234 HydrophobicContact CB-CG2 4.43Å; F227-V234 HydrophobicContact CD1-CG1 4.03Å; V234-L561 HydrophobicContact CG2-CD2 3.95Å
235	L	83.2	Confident	84.9	Confident	51 Å²	51	57.3 Å²	57.3	27%	0.267	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-67	146.8	-178.2	-74	-176	0	0	0	112.7	E228 D230 Y238	E228-L235 HydrophobicContact CB-CD1 4.26Å; E228-L235 HydrophobicContact CG-CD1 3.72Å; E228-L235 HydrophobicContact CG-CG 4.49Å; E228-L235 PolarHBondContact O-N 2.93Å; D230-L235 HydrophobicContact CB-CD2 3.84Å; D230-L235 HydrophobicContact CB-CG 4.45Å; L235-Y238 HydrophobicContact CB-CD2 3.76Å; L235-Y238 HydrophobicContact CB-CE2 4.01Å; L235-Y238 WeakPolarHBondContact O-CD2 3.24Å; L235-Y238 PolarHBondContact O-N 3.12Å
236	P	83.2	Confident	84.7	Confident	122 Å²	122	55.7 Å²	55.7	79%	0.792	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	139.6	170.4	-24.7	34.7	0	0	0	112.3
237	G	83.3	Confident	84.5	Confident	62 Å²	62	58.4 Å²	58.4	64%	0.639	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	17.6	-176.6	0	0	0	0	0	114.7	K240	G237-K240 WeakPolarHBondContact O-CE 3.37Å
238	Y	88.1	Confident	84.5	Confident	34 Å²	34	58.5 Å²	58.5	13%	0.133	33%	0.332	C	S	.	.			trans	-117	154.6	167.8	-72.7	-82.5	0	0	0	111.1	F226 E228 L235 K240	F226-Y238 HydrophobicContact CD2-CE1 4.13Å; F226-Y238 HydrophobicContact CE2-CD1 4.26Å; F226-Y238 AromaticContact CE2-CE1 3.49Å; F226-Y238 HydrophobicContact CE2-CE1 3.49Å; F226-Y238 VanDerWaalsContact CE2-CE1 3.49Å; F226-Y238 HydrophobicContact CZ-CE1 4.01Å; E228-Y238 HydrophobicContact CB-CD1 4.29Å; E228-Y238 HydrophobicContact CB-CD2 3.97Å; E228-Y238 HydrophobicContact CB-CE1 3.81Å; E228-Y238 HydrophobicContact CB-CE2 3.43Å; E228-Y238 VanDerWaalsContact CB-CE2 3.43Å; E228-Y238 HydrophobicContact CB-CG 4.35Å; E228-Y238 HydrophobicContact CG-CE2 4.38Å; E228-Y238 WeakPolarHBondContact OE2-CE2 3.36Å; E228-Y238 VanDerWaalsContact OE2-CZ 3.25Å; E228-Y238 PolarHBondContact OE2-OH 3.32Å; L235-Y238 HydrophobicContact CB-CD2 3.76Å; L235-Y238 HydrophobicContact CB-CE2 4.01Å; L235-Y238 WeakPolarHBondContact O-CD2 3.24Å; L235-Y238 PolarHBondContact O-N 3.12Å; Y238-K240 HydrophobicContact CD1-CB 4.27Å; Y238-K240 HydrophobicContact CD1-CD 3.99Å; Y238-K240 HydrophobicContact CD1-CG 3.77Å; Y238-K240 HydrophobicContact CE1-CB 4.27Å; Y238-K240 HydrophobicContact CE1-CD 3.44Å; Y238-K240 VanDerWaalsContact CE1-CD 3.44Å; Y238-K240 VanDerWaalsContact CE1-CE 3.42Å; Y238-K240 HydrophobicContact CE1-CG 3.76Å; Y238-K240 VanDerWaalsContact CZ-CE 3.44Å; Y238-K240 PolarHBondContact OH-NZ 3.3Å
239	P	94.4	Very high	84.8	Confident	42 Å²	42	60.3 Å²	60.3	27%	0.273	35%	0.347	S	S	.	.			cis	-70.4	165	4	30.6	-37.6	0	0	0	114.7	A199 Y225 F226 F227	A199-P239 HydrophobicContact CB-CG 3.82Å; A199-P239 WeakPolarHBondContact O-CD 3.25Å; A199-P239 WeakPolarHBondContact O-CG 3.14Å; Y225-P239 HydrophobicContact CD1-CB 4Å; Y225-P239 HydrophobicContact CD1-CG 4.2Å; Y225-P239 HydrophobicContact CG-CB 4.25Å; F226-P239 VanDerWaalsContact O-CA 3.31Å; F226-P239 WeakPolarHBondContact O-CA 3.43Å; F227-P239 HydrophobicContact CD1-CB 3.96Å; F227-P239 HydrophobicContact CE1-CB 3.61Å; F227-P239 HydrophobicContact CE1-CG 3.94Å; F227-P239 HydrophobicContact CE2-CB 4.26Å; F227-P239 HydrophobicContact CG-CB 4.46Å; F227-P239 HydrophobicContact CZ-CB 3.77Å; F227-P239 HydrophobicContact CZ-CG 4.19Å
240	K	92.7	Very high	85.4	Confident	80 Å²	80	60.6 Å²	60.6	35%	0.348	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154	165.8	-63.6	176.8	-165.9	163.8	0	109.3	Y225 F226 G237 Y238 V245	Y225-K240 CarbonylContact C-O 3.59Å; Y225-K240 WeakPolarHBondContact CA-O 3.21Å; F226-K240 HydrophobicContact CD1-CB 4.34Å; F226-K240 WeakPolarHBondContact CD1-O 3.43Å; F226-K240 HydrophobicContact CE1-CB 3.69Å; F226-K240 HydrophobicContact CZ-CB 3.9Å; F226-K240 HydrophobicContact CZ-CD 4.29Å; F226-K240 PolarHBondContact N-O 3.29Å; F226-K240 PolarHBondContact O-N 3.38Å; G237-K240 WeakPolarHBondContact O-CE 3.37Å; Y238-K240 HydrophobicContact CD1-CB 4.27Å; Y238-K240 HydrophobicContact CD1-CD 3.99Å; Y238-K240 HydrophobicContact CD1-CG 3.77Å; Y238-K240 HydrophobicContact CE1-CB 4.27Å; Y238-K240 HydrophobicContact CE1-CD 3.44Å; Y238-K240 VanDerWaalsContact CE1-CD 3.44Å; Y238-K240 VanDerWaalsContact CE1-CE 3.42Å; Y238-K240 HydrophobicContact CE1-CG 3.76Å; Y238-K240 VanDerWaalsContact CZ-CE 3.44Å; Y238-K240 PolarHBondContact OH-NZ 3.3Å; K240-V245 HydrophobicContact CB-CG2 4.35Å; K240-V245 HydrophobicContact CD-CG2 4.32Å
241	L	95	Very high	86.8	Confident	59 Å²	59	60.6 Å²	60.6	31%	0.309	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.8	173.4	-73.5	170.7	0	0	0	110	E224 Y225 K243 D244	E224-L241 HydrophobicContact CB-CD2 3.98Å; E224-L241 WeakPolarHBondContact O-CA 3.49Å; Y225-L241 HydrophobicContact CD1-CD2 3.86Å; Y225-L241 HydrophobicContact CD1-CG 4.44Å; Y225-L241 HydrophobicContact CE1-CD2 3.48Å; Y225-L241 VanDerWaalsContact CE1-CD2 3.48Å; Y225-L241 HydrophobicContact CE1-CG 4.13Å; L241-K243 PolarHBondContact O-N 3.43Å; L241-D244 HydrophobicContact CB-CB 4.25Å; L241-D244 PolarHBondContact O-N 2.72Å
242	I	95.1	Very high	88.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-40.8	178.3	-57.7	161.1	0	0	0	109.7	F221 G223 E224 F226 D244 V245 W246 I248 I252	F221-I242 HydrophobicContact CD1-CD1 3.81Å; F221-I242 HydrophobicContact CD1-CG1 3.88Å; F221-I242 HydrophobicContact CE1-CG1 4.24Å; F221-I242 HydrophobicContact CE1-CG2 4.32Å; G223-I242 WeakPolarHBondContact O-CD1 3.39Å; E224-I242 WeakPolarHBondContact O-CG1 3.05Å; E224-I242 PolarHBondContact O-N 3.45Å; F226-I242 HydrophobicContact CB-CG1 4.13Å; F226-I242 HydrophobicContact CD1-CB 4.45Å; F226-I242 HydrophobicContact CD1-CG1 3.96Å; I242-D244 VanDerWaalsContact C-N 3.3Å; I242-D244 PolarHBondContact O-N 3.45Å; I242-V245 PolarHBondContact O-N 2.73Å; I242-W246 HydrophobicContact CG2-CB 4.15Å; I242-W246 HydrophobicContact CG2-CG 4.43Å; I242-W246 WeakPolarHBondContact O-CA 3.42Å; I242-W246 WeakPolarHBondContact O-CB 3.33Å; I242-W246 PolarHBondContact O-N 2.83Å; I242-I248 CarbonylContact C-O 3.37Å; I242-I248 HydrophobicContact CG2-CB 4.35Å; I242-I248 WeakPolarHBondContact CG2-O 3.48Å; I242-I252 HydrophobicContact CD1-CG1 4.16Å; I242-I252 HydrophobicContact CG2-CD1 4.33Å; I242-I252 HydrophobicContact CG2-CG1 4.31Å
243	K	94.3	Very high	90.7	Very high	138 Å²	138	51.9 Å²	51.9	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-60.7	-35.8	-178.6	-172.3	-178.3	177.3	-175.3	0	113.7	L241 G247 I248	L241-K243 PolarHBondContact O-N 3.43Å; K243-G247 VanDerWaalsContact O-CA 3.25Å; K243-G247 WeakPolarHBondContact O-CA 3.37Å; K243-G247 PolarHBondContact O-N 2.71Å; K243-G247 VanDerWaalsContact O-N 3.16Å; K243-I248 WeakPolarHBondContact CA-O 3.44Å; K243-I248 PolarHBondContact N-O 2.89Å
244	D	91.9	Very high	92.1	Very high	122 Å²	122	49.5 Å²	49.5	65%	0.652	30%	0.301	S	S	*	.	H	α-helix	trans	-81.3	-22.7	-173.9	-65.9	-5.4	0	0	0	112.7	L241 I242	L241-D244 HydrophobicContact CB-CB 4.25Å; L241-D244 PolarHBondContact O-N 2.72Å; I242-D244 VanDerWaalsContact C-N 3.3Å; I242-D244 PolarHBondContact O-N 3.45Å
245	V	91.6	Very high	92.8	Very high	75 Å²	75	48.7 Å²	48.7	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-106.7	-42	-178.1	-178.2	0	0	0	0	112.1	F226 K240 I242	F226-V245 HydrophobicContact CE1-CB 3.81Å; F226-V245 HydrophobicContact CE1-CG1 4.33Å; F226-V245 HydrophobicContact CE1-CG2 3.82Å; F226-V245 HydrophobicContact CZ-CB 3.88Å; F226-V245 HydrophobicContact CZ-CG1 3.92Å; F226-V245 HydrophobicContact CZ-CG2 3.84Å; K240-V245 HydrophobicContact CB-CG2 4.35Å; K240-V245 HydrophobicContact CD-CG2 4.32Å; I242-V245 PolarHBondContact O-N 2.73Å
246	W	92.3	Very high	93.4	Very high	15 Å²	15	46.5 Å²	46.5	6%	0.057	28%	0.284	C	S	.	.	H	α-helix	trans	-105.4	-10.7	-174.5	-60	98.4	0	0	0	113.5	M211 L213 Y219 F226 I242 I248 M267 F276	M211-W246 HydrophobicContact CE-CH2 3.8Å; M211-W246 HydrophobicContact CE-CZ2 3.6Å; L213-W246 HydrophobicContact CD1-CH2 4.19Å; L213-W246 HydrophobicContact CD1-CZ2 4.42Å; L213-W246 HydrophobicContact CD2-CH2 4.06Å; Y219-W246 AromaticContact CD2-CZ2 3.81Å; Y219-W246 HydrophobicContact CD2-CZ2 3.81Å; Y219-W246 AromaticContact CE2-CZ2 3.58Å; Y219-W246 HydrophobicContact CE2-CZ2 3.58Å; F226-W246 AromaticContact CE1-CD1 3.77Å; F226-W246 AromaticContact CE1-NE1 3.69Å; F226-W246 AromaticContact CE2-NE1 3.89Å; F226-W246 AromaticContact CZ-NE1 3.62Å; I242-W246 HydrophobicContact CG2-CB 4.15Å; I242-W246 HydrophobicContact CG2-CG 4.43Å; I242-W246 WeakPolarHBondContact O-CA 3.42Å; I242-W246 WeakPolarHBondContact O-CB 3.33Å; I242-W246 PolarHBondContact O-N 2.83Å; W246-I248 PolarHBondContact O-N 2.98Å; W246-M267 HydrophobicContact CD2-CE 3.51Å; W246-M267 HydrophobicContact CD2-SD 4.32Å; W246-M267 HydrophobicContact CE3-CE 3.45Å; W246-M267 VanDerWaalsContact CE3-CE 3.45Å; W246-M267 HydrophobicContact CE3-SD 4.3Å; W246-M267 HydrophobicContact CG-CE 4.12Å; W246-M267 HydrophobicContact CG-SD 4.44Å; W246-M267 HydrophobicContact CH2-CE 4.01Å; W246-M267 HydrophobicContact CZ2-CE 4.03Å; W246-M267 HydrophobicContact CZ3-CE 3.7Å; W246-F276 HydrophobicContact CB-CE1 4.45Å; W246-F276 HydrophobicContact CB-CZ 4.18Å; W246-F276 AromaticContact CE3-CD1 3.82Å; W246-F276 HydrophobicContact CE3-CD1 3.82Å; W246-F276 HydrophobicContact CE3-CD2 4.31Å; W246-F276 AromaticContact CE3-CE1 3.65Å; W246-F276 HydrophobicContact CE3-CE1 3.65Å; W246-F276 HydrophobicContact CE3-CE2 4.14Å; W246-F276 HydrophobicContact CE3-CG 4.17Å; W246-F276 AromaticContact CE3-CZ 3.82Å; W246-F276 HydrophobicContact CE3-CZ 3.82Å; W246-F276 HydrophobicContact CZ3-CD1 4.06Å; W246-F276 HydrophobicContact CZ3-CD2 4.43Å; W246-F276 HydrophobicContact CZ3-CE1 4.35Å; W246-F276 HydrophobicContact CZ3-CG 4.12Å; W246-F276 WeakPolarHBondContact O-CE1 3.22Å; W246-F276 WeakPolarHBondContact O-CZ 3.1Å
247	G	92.2	Very high	94	Very high	56 Å²	56	41 Å²	41	58%	0.577	25%	0.248	S	C	*	.	S	Bend	trans	75	-2.3	-176	0	0	0	0	0	115.2	K243	K243-G247 VanDerWaalsContact O-CA 3.25Å; K243-G247 WeakPolarHBondContact O-CA 3.37Å; K243-G247 PolarHBondContact O-N 2.71Å; K243-G247 VanDerWaalsContact O-N 3.16Å
248	I	94.1	Very high	94.4	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-100.1	140	-177.4	-48.6	176	0	0	0	110	I242 K243 W246 I252 M267 W274 F276	I242-I248 CarbonylContact C-O 3.37Å; I242-I248 HydrophobicContact CG2-CB 4.35Å; I242-I248 WeakPolarHBondContact CG2-O 3.48Å; K243-I248 WeakPolarHBondContact CA-O 3.44Å; K243-I248 PolarHBondContact N-O 2.89Å; W246-I248 PolarHBondContact O-N 2.98Å; I248-I252 HydrophobicContact CB-CD1 4.19Å; I248-I252 HydrophobicContact CD1-CD1 4.49Å; I248-I252 HydrophobicContact CG2-CD1 3.62Å; I248-M267 HydrophobicContact CD1-CB 3.99Å; I248-M267 HydrophobicContact CD1-CG 4.5Å; I248-M267 HydrophobicContact CD1-SD 3.82Å; I248-W274 HydrophobicContact CD1-CB 3.72Å; I248-W274 HydrophobicContact CD1-CD2 3.57Å; I248-W274 HydrophobicContact CD1-CE3 4.07Å; I248-W274 HydrophobicContact CD1-CG 3.41Å; I248-W274 VanDerWaalsContact CD1-CG 3.41Å; I248-W274 HydrophobicContact CG1-CD2 3.98Å; I248-W274 HydrophobicContact CG1-CG 3.9Å; I248-W274 HydrophobicContact CG2-CD2 4.35Å; I248-W274 HydrophobicContact CG2-CE3 4.48Å; I248-W274 HydrophobicContact CG2-CH2 4.27Å; I248-W274 HydrophobicContact CG2-CZ2 4.04Å; I248-W274 HydrophobicContact CG2-CZ3 4.48Å; I248-F276 HydrophobicContact CD1-CE2 3.82Å; I248-F276 HydrophobicContact CD1-CZ 3.7Å; I248-F276 HydrophobicContact CG1-CZ 4.21Å
249	S	95.1	Very high	94.4	Very high	60 Å²	60	37.7 Å²	37.7	42%	0.42	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-75.4	141.1	168.3	53.6	0	0	0	0	110.6	K269	S249-K269 PolarHBondContact O-NZ 2.98Å; S249-K269 PolarHBondContact OG-NZ 3.26Å; S249-K269 VanDerWaalsContact OG-NZ 3.08Å
250	G	93.3	Very high	94	Very high	10 Å²	10	35.9 Å²	35.9	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-76.6	170.7	171.5	0	0	0	0	0	113.6	G223 K269	G223-G250 VanDerWaalsContact O-CA 3.28Å; G223-G250 WeakPolarHBondContact O-CA 3.4Å; G250-K269 PolarHBondContact O-NZ 3.38Å
251	P	97	Very high	93.6	Very high	57 Å²	57	32.1 Å²	32.1	37%	0.37	19%	0.189	S	C	.	.	P	Polyproline II helix	cis	-66.3	173.9	-12.1	32.5	-37.6	0	0	0	112.1	D208 G223 K269	D208-P251 HydrophobicContact CB-CB 4.14Å; D208-P251 WeakPolarHBondContact OD2-CB 3.46Å; G223-P251 WeakPolarHBondContact O-CA 3.31Å; P251-K269 VanDerWaalsContact O-CD 3.25Å; P251-K269 WeakPolarHBondContact O-CD 3.27Å; P251-K269 WeakPolarHBondContact O-CE 3.08Å; P251-K269 PolarHBondContact O-NZ 3.35Å
252	I	98.1	Very high	93.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.			trans	-118.5	122.4	174.2	-60.3	-63.6	0	0	0	107	D208 S209 F221 I242 I248 A254 A255 M267	D208-I252 CarbonylContact C-O 3.52Å; D208-I252 WeakPolarHBondContact CB-O 3.19Å; D208-I252 VanDerWaalsContact O-O 3.14Å; S209-I252 PolarHBondContact OG-O 2.82Å; F221-I252 HydrophobicContact CB-CB 4.42Å; F221-I252 HydrophobicContact CD1-CB 4.4Å; F221-I252 HydrophobicContact CD1-CG1 3.94Å; F221-I252 HydrophobicContact CE1-CG1 4.35Å; F221-I252 HydrophobicContact CG-CB 4.33Å; F221-I252 HydrophobicContact CG-CG1 4.37Å; I242-I252 HydrophobicContact CD1-CG1 4.16Å; I242-I252 HydrophobicContact CG2-CD1 4.33Å; I242-I252 HydrophobicContact CG2-CG1 4.31Å; I248-I252 HydrophobicContact CB-CD1 4.19Å; I248-I252 HydrophobicContact CD1-CD1 4.49Å; I248-I252 HydrophobicContact CG2-CD1 3.62Å; I252-A254 WeakPolarHBondContact CG2-O 3.27Å; I252-A255 HydrophobicContact CG2-CB 4.34Å; I252-M267 HydrophobicContact CG2-CB 4.32Å
253	D	98.1	Very high	92.7	Very high	35 Å²	35	31.4 Å²	31.4	19%	0.187	18%	0.184	C	C	.	.	S	Bend	trans	-78.9	-36.3	-170.3	-47.1	-0.8	0	0	0	111.4	S209 F268 G270 V300 D301	S209-D253 PolarHBondContact OG-O 3.47Å; D253-F268 PolarHBondContact N-O 3.39Å; D253-G270 PolarHBondContact OD2-N 3.46Å; D253-V300 CarbonylContact C-O 3.51Å; D253-V300 VanDerWaalsContact CB-O 3.29Å; D253-V300 WeakPolarHBondContact CB-O 3.13Å; D253-D301 CarbonylContact O-C 3.56Å
254	A	98.1	Very high	92.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.2	173.1	0	0	0	0	0	111.4	S209 I252 F268 V300 A303	S209-A254 WeakPolarHBondContact OG-CA 3.23Å; S209-A254 PolarHBondContact OG-N 3.06Å; I252-A254 WeakPolarHBondContact CG2-O 3.27Å; A254-F268 HydrophobicContact CB-CB 4.11Å; A254-F268 HydrophobicContact CB-CD2 4.21Å; A254-F268 HydrophobicContact CB-CG 4.39Å; A254-F268 WeakPolarHBondContact O-CD2 3.37Å; A254-F268 PolarHBondContact O-N 3.35Å; A254-V300 HydrophobicContact CB-CG2 3.79Å; A254-A303 HydrophobicContact CB-CB 3.89Å
255	A	97.8	Very high	92.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.5	172.1	0	0	0	0	0	112.2	S209 M211 F221 I252 Y266 M267	S209-A255 PolarHBondContact OG-N 2.86Å; M211-A255 HydrophobicContact CB-CB 3.96Å; M211-A255 HydrophobicContact CG-CB 4.39Å; M211-A255 HydrophobicContact SD-CB 4.05Å; F221-A255 HydrophobicContact CE2-CB 4.29Å; I252-A255 HydrophobicContact CG2-CB 4.34Å; A255-Y266 CarbonylContact C-O 3.58Å; A255-Y266 VanDerWaalsContact CA-O 3.28Å; A255-Y266 WeakPolarHBondContact CA-O 3.39Å; A255-M267 HydrophobicContact CB-CG 4.12Å
256	F	96.6	Very high	93.1	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	162.5	171.9	68.2	-97.1	0	0	0	112.4	R258 T265 Y266 F268 F293 A303 A305 V317 F319 F330	F256-R258 HydrophobicContact CE2-CG 4.31Å; F256-T265 CarbonylContact O-C 3.59Å; F256-T265 WeakPolarHBondContact O-CA 3.38Å; F256-Y266 HydrophobicContact CD2-CD2 4.42Å; F256-Y266 AromaticContact CE2-CD2 3.72Å; F256-Y266 HydrophobicContact CE2-CD2 3.72Å; F256-Y266 HydrophobicContact CE2-CE2 4.39Å; F256-Y266 AromaticContact CE2-CG 3.99Å; F256-Y266 HydrophobicContact CE2-CG 3.99Å; F256-Y266 HydrophobicContact CZ-CD1 4.43Å; F256-Y266 HydrophobicContact CZ-CD2 4.08Å; F256-Y266 AromaticContact CZ-CG 3.87Å; F256-Y266 HydrophobicContact CZ-CG 3.87Å; F256-Y266 PolarHBondContact N-O 3.39Å; F256-Y266 PolarHBondContact O-N 3.09Å; F256-F268 AromaticContact CD1-CE2 3.86Å; F256-F268 HydrophobicContact CD1-CE2 3.86Å; F256-F268 AromaticContact CE1-CE2 3.37Å; F256-F268 HydrophobicContact CE1-CE2 3.37Å; F256-F268 AromaticContact CE1-CZ 3.65Å; F256-F268 HydrophobicContact CE1-CZ 3.65Å; F256-F268 HydrophobicContact CZ-CE2 4.24Å; F256-F268 HydrophobicContact CZ-CZ 4.26Å; F256-F293 HydrophobicContact CZ-CE1 4.2Å; F256-F293 HydrophobicContact CZ-CZ 4.07Å; F256-A303 HydrophobicContact CD1-CB 3.87Å; F256-A303 HydrophobicContact CE1-CB 4.45Å; F256-A305 HydrophobicContact CB-CB 4.44Å; F256-A305 HydrophobicContact CD2-CB 3.73Å; F256-A305 HydrophobicContact CE2-CB 4.35Å; F256-A305 HydrophobicContact CG-CB 4.29Å; F256-V317 HydrophobicContact CD1-CG1 3.86Å; F256-V317 HydrophobicContact CD2-CG2 4.43Å; F256-V317 HydrophobicContact CE1-CG1 3.51Å; F256-V317 HydrophobicContact CE1-CG2 4.28Å; F256-V317 HydrophobicContact CE2-CG1 4.35Å; F256-V317 HydrophobicContact CE2-CG2 3.76Å; F256-V317 HydrophobicContact CG-CG1 4.4Å; F256-V317 HydrophobicContact CZ-CB 4.36Å; F256-V317 HydrophobicContact CZ-CG1 3.8Å; F256-V317 HydrophobicContact CZ-CG2 3.68Å; F256-F319 HydrophobicContact CE1-CE1 4.05Å; F256-F319 AromaticContact CE1-CZ 3.81Å; F256-F319 HydrophobicContact CE1-CZ 3.81Å; F256-F319 HydrophobicContact CZ-CZ 4.42Å; F256-F330 HydrophobicContact CE2-CE2 4.41Å; F256-F330 HydrophobicContact CE2-CZ 4.14Å; F256-F330 HydrophobicContact CZ-CZ 4.26Å
257	T	94.7	Very high	93.4	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.043	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.9	170.8	-50.8	0	0	0	0	109.7	Q212 I259 G263 T265 A305	Q212-T257 WeakPolarHBondContact O-CB 3.44Å; Q212-T257 PolarHBondContact O-OG1 2.86Å; T257-I259 PolarHBondContact O-N 2.88Å; T257-G263 WeakPolarHBondContact CG2-O 3.23Å; T257-T265 PolarHBondContact OG1-OG1 3.44Å; T257-A305 WeakPolarHBondContact O-CB 3.31Å
258	R	92.6	Very high	93.7	Very high	13 Å²	13	14.1 Å²	14.1	5%	0.049	8%	0.082	C	C	.	.			trans	-64.8	129.4	173.9	-73.1	-177.5	69.5	169.7	1.8	110.4	F256 N260 K264 Y266 E315 F330 H332	F256-R258 HydrophobicContact CE2-CG 4.31Å; R258-N260 PolarHBondContact NE-ND2 2.98Å; R258-N260 PolarHBondContact NH2-ND2 3.32Å; R258-N260 PolarHBondContact O-N 2.93Å; R258-K264 PolarHBondContact N-O 3.12Å; R258-Y266 HydrophobicContact CG-CD2 4.42Å; R258-Y266 HydrophobicContact CG-CE2 3.87Å; R258-E315 IonicContact CZ-OE1 3.39Å; R258-E315 IonicContact CZ-OE2 2.69Å; R258-E315 IonicContact NE-OE1 3.58Å; R258-E315 IonicContact NE-OE2 2.96Å; R258-E315 PolarHBondContact NE-OE2 3.09Å; R258-E315 IonicContact NH2-OE1 2.71Å; R258-E315 PolarHBondContact NH2-OE1 3.41Å; R258-E315 IonicContact NH2-OE2 3.57Å; R258-E315 PolarHBondContact NH2-OE2 2.87Å; R258-F330 HydrophobicContact CG-CE2 3.72Å; R258-F330 HydrophobicContact CG-CZ 3.83Å; R258-H332 PolarHBondContact NH1-O 2.9Å; R258-H332 PolarHBondContact NH2-O 2.94Å
259	I	87.9	Confident	93.9	Very high	13 Å²	13	16.2 Å²	16.2	7%	0.067	9%	0.091	C	C	.	.	S	Bend	trans	-85.6	68	176.5	-54.4	-179.5	0	0	0	108.5	T257 P307 L350 T399	T257-I259 PolarHBondContact O-N 2.88Å; I259-P307 HydrophobicContact CB-CB 4.23Å; I259-P307 HydrophobicContact CG2-CB 3.98Å; I259-P307 HydrophobicContact CG2-CG 4.4Å; I259-L350 HydrophobicContact CG1-CB 4.49Å; I259-L350 HydrophobicContact CG2-CB 4.21Å; I259-T399 HydrophobicContact CD1-CG2 3.77Å
260	N	86.5	Confident	94	Very high	4 Å²	4	14 Å²	14	2%	0.021	8%	0.078	C	C	.	.	S	Bend	trans	-143.2	178.9	175	74.9	11.6	0	0	0	110.8	R258 Q262 G263 E315 P334 S348 F351	R258-N260 PolarHBondContact NE-ND2 2.98Å; R258-N260 PolarHBondContact NH2-ND2 3.32Å; R258-N260 PolarHBondContact O-N 2.93Å; N260-Q262 VanDerWaalsContact C-N 3.26Å; N260-Q262 PolarHBondContact O-N 3.33Å; N260-Q262 WeakPolarHBondContact OD1-CA 3.43Å; N260-Q262 WeakPolarHBondContact OD1-CB 2.99Å; N260-Q262 PolarHBondContact OD1-N 2.85Å; N260-G263 PolarHBondContact O-N 2.71Å; N260-G263 PolarHBondContact OD1-N 3.12Å; N260-E315 WeakPolarHBondContact CB-OE1 3.1Å; N260-E315 PolarHBondContact ND2-OE1 2.94Å; N260-E315 PolarHBondContact ND2-OE2 3.02Å; N260-P334 HydrophobicContact CB-CG 4.46Å; N260-S348 WeakPolarHBondContact O-CB 3.47Å; N260-S348 PolarHBondContact O-OG 3.44Å; N260-F351 VanDerWaalsContact C-CG 3.44Å; N260-F351 VanDerWaalsContact CA-CD2 3.44Å; N260-F351 WeakPolarHBondContact O-CB 3.35Å
261	C	82.7	Confident	94.2	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.7	-179	65.2	0	0	0	0	114.3	P334 C339 F351	C261-P334 VanDerWaalsContact SG-CB 3.54Å; C261-P334 WeakPolarHBondContact SG-CG 3.45Å; C261-C339 HydrophobicContact CB-CB 3.59Å; C261-C339 WeakPolarHBondContact CB-SG 3.31Å; C261-C339 WeakPolarHBondContact SG-CA 3.36Å; C261-C339 WeakPolarHBondContact SG-CB 3.44Å; C261-C339 CovalentContact SG-SG 2.04Å; C261-C339 PolarHBondContact SG-SG 2.86Å; C261-F351 HydrophobicContact CB-CD1 3.78Å; C261-F351 HydrophobicContact CB-CE1 3.65Å; C261-F351 HydrophobicContact CB-CZ 4.45Å
262	Q	84.3	Confident	94.2	Very high	43 Å²	43	17.2 Å²	17.2	20%	0.201	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-27.9	175	-63.9	-179.9	-14.6	0	0	112.3	N260 K264 P334	N260-Q262 VanDerWaalsContact C-N 3.26Å; N260-Q262 PolarHBondContact O-N 3.33Å; N260-Q262 WeakPolarHBondContact OD1-CA 3.43Å; N260-Q262 WeakPolarHBondContact OD1-CB 2.99Å; N260-Q262 PolarHBondContact OD1-N 2.85Å; Q262-K264 HydrophobicContact CB-CG 4.04Å; Q262-K264 PolarHBondContact O-N 3.14Å; Q262-K264 VanDerWaalsContact O-N 3.11Å; Q262-P334 HydrophobicContact CG-CB 3.95Å; Q262-P334 HydrophobicContact CG-CG 4.19Å
263	G	88.3	Confident	94.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.01	9%	0.088	C	C	.	.			trans	60.5	24.4	173.2	0	0	0	0	0	115.4	T257 N260 T265	T257-G263 WeakPolarHBondContact CG2-O 3.23Å; N260-G263 PolarHBondContact O-N 2.71Å; N260-G263 PolarHBondContact OD1-N 3.12Å; G263-T265 PolarHBondContact O-N 2.74Å
264	K	92.6	Very high	94.3	Very high	29 Å²	29	17.7 Å²	17.7	13%	0.126	9%	0.085	C	C	.	.			trans	-66.8	133.6	-174.2	-60	-158	168.7	-143.1	0	112	R258 Q262 Y266 F276 D277 E282	R258-K264 PolarHBondContact N-O 3.12Å; Q262-K264 HydrophobicContact CB-CG 4.04Å; Q262-K264 PolarHBondContact O-N 3.14Å; Q262-K264 VanDerWaalsContact O-N 3.11Å; K264-Y266 HydrophobicContact CB-CE2 4.01Å; K264-F276 WeakPolarHBondContact CA-O 3.28Å; K264-D277 VanDerWaalsContact CE-CG 3.42Å; K264-D277 VanDerWaalsContact CE-OD1 3.31Å; K264-D277 WeakPolarHBondContact CE-OD1 3.44Å; K264-D277 VanDerWaalsContact CE-OD2 3.28Å; K264-D277 WeakPolarHBondContact CE-OD2 3.49Å; K264-D277 IonicContact NZ-OD1 3.77Å; K264-D277 IonicContact NZ-OD2 3.62Å; K264-D277 PolarHBondContact NZ-OD2 3.37Å; K264-E282 WeakPolarHBondContact CD-OE1 3.36Å; K264-E282 IonicContact NZ-OE1 2.71Å; K264-E282 PolarHBondContact NZ-OE1 3.39Å
265	T	95.6	Very high	94.2	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.025	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.4	-177.3	-53	0	0	0	0	110.1	M211 L213 F256 T257 G263 M267 R275 F276	M211-T265 HydrophobicContact CE-CG2 4.46Å; M211-T265 HydrophobicContact SD-CG2 3.66Å; L213-T265 HydrophobicContact CD2-CG2 3.98Å; F256-T265 CarbonylContact O-C 3.59Å; F256-T265 WeakPolarHBondContact O-CA 3.38Å; T257-T265 PolarHBondContact OG1-OG1 3.44Å; G263-T265 PolarHBondContact O-N 2.74Å; T265-M267 HydrophobicContact CG2-CE 4.45Å; T265-R275 WeakPolarHBondContact O-CA 3.15Å; T265-F276 PolarHBondContact N-O 3.2Å; T265-F276 PolarHBondContact O-N 3.04Å
266	Y	97.4	Very high	94	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.035	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132	-178	-68.4	-109	0	0	0	109.1	A255 F256 R258 K264 Y273 W274 R275 F293 F330	A255-Y266 CarbonylContact C-O 3.58Å; A255-Y266 VanDerWaalsContact CA-O 3.28Å; A255-Y266 WeakPolarHBondContact CA-O 3.39Å; F256-Y266 HydrophobicContact CD2-CD2 4.42Å; F256-Y266 AromaticContact CE2-CD2 3.72Å; F256-Y266 HydrophobicContact CE2-CD2 3.72Å; F256-Y266 HydrophobicContact CE2-CE2 4.39Å; F256-Y266 AromaticContact CE2-CG 3.99Å; F256-Y266 HydrophobicContact CE2-CG 3.99Å; F256-Y266 HydrophobicContact CZ-CD1 4.43Å; F256-Y266 HydrophobicContact CZ-CD2 4.08Å; F256-Y266 AromaticContact CZ-CG 3.87Å; F256-Y266 HydrophobicContact CZ-CG 3.87Å; F256-Y266 PolarHBondContact N-O 3.39Å; F256-Y266 PolarHBondContact O-N 3.09Å; R258-Y266 HydrophobicContact CG-CD2 4.42Å; R258-Y266 HydrophobicContact CG-CE2 3.87Å; K264-Y266 HydrophobicContact CB-CE2 4.01Å; Y266-Y273 AromaticContact CD1-CD2 3.86Å; Y266-Y273 HydrophobicContact CD1-CD2 3.86Å; Y266-Y273 AromaticContact CD1-CE2 3.89Å; Y266-Y273 HydrophobicContact CD1-CE2 3.89Å; Y266-Y273 HydrophobicContact CE1-CD2 4.42Å; Y266-Y273 AromaticContact CE1-CE2 3.98Å; Y266-Y273 HydrophobicContact CE1-CE2 3.98Å; Y266-W274 WeakPolarHBondContact CA-O 3.41Å; Y266-R275 HydrophobicContact CD1-CB 4.5Å; Y266-R275 HydrophobicContact CD1-CG 4.43Å; Y266-R275 HydrophobicContact CE1-CB 4.42Å; Y266-R275 HydrophobicContact CE1-CG 4.08Å; Y266-R275 HydrophobicContact CE2-CG 4.27Å; Y266-R275 WeakPolarHBondContact OH-CD 3.48Å; Y266-F293 AromaticContact CD1-CE2 3.93Å; Y266-F293 HydrophobicContact CD1-CE2 3.93Å; Y266-F293 AromaticContact CD1-CZ 3.6Å; Y266-F293 HydrophobicContact CD1-CZ 3.6Å; Y266-F293 HydrophobicContact CE1-CE2 4.14Å; Y266-F293 AromaticContact CE1-CZ 3.69Å; Y266-F293 HydrophobicContact CE1-CZ 3.69Å; Y266-F293 HydrophobicContact CG-CZ 4.43Å; Y266-F330 HydrophobicContact CE2-CZ 4.45Å
267	M	98.3	Very high	93.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.4	175.6	-63.2	-175.8	-178.8	0	0	110	M211 F221 W246 I248 I252 A255 T265 Y273 W274 F276	M211-M267 HydrophobicContact CE-CE 3.57Å; M211-M267 HydrophobicContact SD-CE 3.71Å; F221-M267 HydrophobicContact CE1-CE 4.3Å; F221-M267 HydrophobicContact CE2-CE 4.49Å; F221-M267 HydrophobicContact CZ-CE 3.64Å; F221-M267 HydrophobicContact CZ-SD 4.32Å; W246-M267 HydrophobicContact CD2-CE 3.51Å; W246-M267 HydrophobicContact CD2-SD 4.32Å; W246-M267 HydrophobicContact CE3-CE 3.45Å; W246-M267 VanDerWaalsContact CE3-CE 3.45Å; W246-M267 HydrophobicContact CE3-SD 4.3Å; W246-M267 HydrophobicContact CG-CE 4.12Å; W246-M267 HydrophobicContact CG-SD 4.44Å; W246-M267 HydrophobicContact CH2-CE 4.01Å; W246-M267 HydrophobicContact CZ2-CE 4.03Å; W246-M267 HydrophobicContact CZ3-CE 3.7Å; I248-M267 HydrophobicContact CD1-CB 3.99Å; I248-M267 HydrophobicContact CD1-CG 4.5Å; I248-M267 HydrophobicContact CD1-SD 3.82Å; I252-M267 HydrophobicContact CG2-CB 4.32Å; A255-M267 HydrophobicContact CB-CG 4.12Å; T265-M267 HydrophobicContact CG2-CE 4.45Å; M267-Y273 CarbonylContact O-C 3.57Å; M267-Y273 WeakPolarHBondContact O-CA 3.1Å; M267-Y273 WeakPolarHBondContact O-CB 3.27Å; M267-W274 PolarHBondContact N-O 2.97Å; M267-W274 PolarHBondContact O-N 2.76Å; M267-F276 HydrophobicContact CB-CE2 4.39Å; M267-F276 HydrophobicContact CE-CE2 4.39Å; M267-F276 HydrophobicContact CG-CE2 4.06Å; M267-F276 HydrophobicContact SD-CE2 3.81Å; M267-F276 HydrophobicContact SD-CZ 4.35Å
268	F	98.4	Very high	93.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.1	-172.3	-61.9	-101.6	0	0	0	110.2	D253 A254 F256 K272 Y273 I289 F293 V300 F319	D253-F268 PolarHBondContact N-O 3.39Å; A254-F268 HydrophobicContact CB-CB 4.11Å; A254-F268 HydrophobicContact CB-CD2 4.21Å; A254-F268 HydrophobicContact CB-CG 4.39Å; A254-F268 WeakPolarHBondContact O-CD2 3.37Å; A254-F268 PolarHBondContact O-N 3.35Å; F256-F268 AromaticContact CD1-CE2 3.86Å; F256-F268 HydrophobicContact CD1-CE2 3.86Å; F256-F268 AromaticContact CE1-CE2 3.37Å; F256-F268 HydrophobicContact CE1-CE2 3.37Å; F256-F268 AromaticContact CE1-CZ 3.65Å; F256-F268 HydrophobicContact CE1-CZ 3.65Å; F256-F268 HydrophobicContact CZ-CE2 4.24Å; F256-F268 HydrophobicContact CZ-CZ 4.26Å; F268-K272 WeakPolarHBondContact CA-O 3.29Å; F268-Y273 HydrophobicContact CE1-CG 4.14Å; F268-I289 HydrophobicContact CD1-CD1 3.89Å; F268-I289 HydrophobicContact CD1-CG1 3.93Å; F268-I289 HydrophobicContact CE1-CG1 4.36Å; F268-F293 AromaticContact CE1-CD2 3.84Å; F268-F293 HydrophobicContact CE1-CD2 3.84Å; F268-F293 AromaticContact CE1-CE2 3.67Å; F268-F293 HydrophobicContact CE1-CE2 3.67Å; F268-F293 HydrophobicContact CE1-CZ 4.3Å; F268-F293 HydrophobicContact CZ-CD2 4.13Å; F268-F293 HydrophobicContact CZ-CE1 4.47Å; F268-F293 AromaticContact CZ-CE2 3.53Å; F268-F293 HydrophobicContact CZ-CE2 3.53Å; F268-F293 AromaticContact CZ-CZ 3.74Å; F268-F293 HydrophobicContact CZ-CZ 3.74Å; F268-V300 HydrophobicContact CB-CG2 4.1Å; F268-V300 HydrophobicContact CD1-CG2 4.41Å; F268-V300 HydrophobicContact CG-CG2 4.32Å; F268-F319 HydrophobicContact CD1-CE1 4.23Å; F268-F319 HydrophobicContact CD2-CE1 4.47Å; F268-F319 AromaticContact CE1-CE1 3.68Å; F268-F319 HydrophobicContact CE1-CE1 3.68Å; F268-F319 HydrophobicContact CE1-CZ 4.01Å; F268-F319 AromaticContact CE2-CE1 3.98Å; F268-F319 HydrophobicContact CE2-CE1 3.98Å; F268-F319 HydrophobicContact CE2-CZ 4.42Å; F268-F319 AromaticContact CZ-CE1 3.56Å; F268-F319 HydrophobicContact CZ-CE1 3.56Å; F268-F319 AromaticContact CZ-CZ 3.72Å; F268-F319 HydrophobicContact CZ-CZ 3.72Å
269	K	98.1	Very high	92.8	Very high	48 Å²	48	27.7 Å²	27.7	21%	0.209	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	121.6	173.5	-169	-176.7	-173.2	172.1	0	110.6	S249 G250 P251 N271 K272 W274	S249-K269 PolarHBondContact O-NZ 2.98Å; S249-K269 PolarHBondContact OG-NZ 3.26Å; S249-K269 VanDerWaalsContact OG-NZ 3.08Å; G250-K269 PolarHBondContact O-NZ 3.38Å; P251-K269 VanDerWaalsContact O-CD 3.25Å; P251-K269 WeakPolarHBondContact O-CD 3.27Å; P251-K269 WeakPolarHBondContact O-CE 3.08Å; P251-K269 PolarHBondContact O-NZ 3.35Å; K269-N271 PolarHBondContact O-N 2.92Å; K269-K272 PolarHBondContact N-O 2.72Å; K269-K272 PolarHBondContact O-N 2.56Å; K269-K272 VanDerWaalsContact O-N 3.07Å; K269-W274 HydrophobicContact CB-CH2 4.1Å; K269-W274 HydrophobicContact CB-CZ3 3.71Å
270	G	97.4	Very high	92.8	Very high	14 Å²	14	32 Å²	32	14%	0.144	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-125.3	-174.8	0	0	0	0	0	111.8	D253 K272 I289 H299	D253-G270 PolarHBondContact OD2-N 3.46Å; G270-K272 VanDerWaalsContact C-N 3.33Å; G270-I289 WeakPolarHBondContact O-CD1 3.28Å; G270-H299 PolarHBondContact O-N 3.23Å
271	N	97.8	Very high	93.2	Very high	67 Å²	67	34.9 Å²	34.9	36%	0.358	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	7.9	177.4	81	-50	0	0	0	113.9	K269 D288 I289 D298	K269-N271 PolarHBondContact O-N 2.92Å; N271-D288 PolarHBondContact ND2-OD1 3.33Å; N271-D288 CarbonylContact O-C 3.59Å; N271-D288 VanDerWaalsContact O-CA 3.3Å; N271-D288 WeakPolarHBondContact O-CA 3.29Å; N271-I289 PolarHBondContact O-N 3.43Å; N271-D298 VanDerWaalsContact CA-OD1 3.32Å; N271-D298 WeakPolarHBondContact CA-OD1 3.26Å; N271-D298 HydrophobicContact CB-CB 3.79Å; N271-D298 WeakPolarHBondContact CB-OD1 3.2Å
272	K	98.1	Very high	93.8	Very high	67 Å²	67	36.5 Å²	36.5	29%	0.291	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	154.5	-172	-74	-175.9	-172.1	-60.1	0	113.4	F268 K269 G270 W274 P286 R287 D288	F268-K272 WeakPolarHBondContact CA-O 3.29Å; K269-K272 PolarHBondContact N-O 2.72Å; K269-K272 PolarHBondContact O-N 2.56Å; K269-K272 VanDerWaalsContact O-N 3.07Å; G270-K272 VanDerWaalsContact C-N 3.33Å; K272-W274 HydrophobicContact CB-CH2 4.02Å; K272-W274 HydrophobicContact CB-CZ3 3.93Å; K272-P286 HydrophobicContact CB-CB 4.23Å; K272-P286 HydrophobicContact CD-CB 4.26Å; K272-P286 HydrophobicContact CD-CG 4.18Å; K272-R287 CarbonylContact C-O 3.57Å; K272-R287 VanDerWaalsContact CA-O 3.31Å; K272-R287 WeakPolarHBondContact CA-O 3.43Å; K272-D288 WeakPolarHBondContact CG-OD1 3.43Å; K272-D288 VanDerWaalsContact NZ-CG 3.33Å; K272-D288 IonicContact NZ-OD1 3.7Å; K272-D288 PolarHBondContact NZ-OD1 2.78Å; K272-D288 IonicContact NZ-OD2 3.18Å; K272-D288 PolarHBondContact NZ-OD2 2.9Å
273	Y	98.3	Very high	94.2	Very high	11 Å²	11	41.7 Å²	41.7	4%	0.043	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.8	170.9	81.2	-80.3	0	0	0	112.2	Y266 M267 F268 Y285 P286 R287 I289 G292 F293	Y266-Y273 AromaticContact CD1-CD2 3.86Å; Y266-Y273 HydrophobicContact CD1-CD2 3.86Å; Y266-Y273 AromaticContact CD1-CE2 3.89Å; Y266-Y273 HydrophobicContact CD1-CE2 3.89Å; Y266-Y273 HydrophobicContact CE1-CD2 4.42Å; Y266-Y273 AromaticContact CE1-CE2 3.98Å; Y266-Y273 HydrophobicContact CE1-CE2 3.98Å; M267-Y273 CarbonylContact O-C 3.57Å; M267-Y273 WeakPolarHBondContact O-CA 3.1Å; M267-Y273 WeakPolarHBondContact O-CB 3.27Å; F268-Y273 HydrophobicContact CE1-CG 4.14Å; Y273-Y285 HydrophobicContact CD2-CE1 4.06Å; Y273-Y285 HydrophobicContact CE1-CE1 4.44Å; Y273-Y285 HydrophobicContact CE2-CD1 4.22Å; Y273-Y285 AromaticContact CE2-CE1 3.37Å; Y273-Y285 HydrophobicContact CE2-CE1 3.37Å; Y273-Y285 AromaticContact CZ-CE1 3.59Å; Y273-Y285 PolarHBondContact OH-OH 3.3Å; Y273-P286 VanDerWaalsContact O-CA 3.24Å; Y273-P286 WeakPolarHBondContact O-CA 3.42Å; Y273-P286 WeakPolarHBondContact O-CB 3.37Å; Y273-R287 HydrophobicContact CD1-CB 4.42Å; Y273-R287 WeakPolarHBondContact CD1-O 3.24Å; Y273-R287 HydrophobicContact CE1-CB 3.83Å; Y273-R287 PolarHBondContact N-O 3.27Å; Y273-R287 PolarHBondContact O-N 2.96Å; Y273-I289 HydrophobicContact CD1-CG1 4.33Å; Y273-G292 WeakPolarHBondContact OH-CA 3.38Å; Y273-F293 HydrophobicContact CD1-CD2 4.22Å; Y273-F293 HydrophobicContact CD1-CE2 4.25Å; Y273-F293 AromaticContact CD2-CE2 3.8Å; Y273-F293 HydrophobicContact CD2-CE2 3.8Å; Y273-F293 HydrophobicContact CE1-CD2 4.14Å; Y273-F293 HydrophobicContact CE1-CE2 4.21Å; Y273-F293 HydrophobicContact CE2-CD2 4.47Å; Y273-F293 AromaticContact CE2-CE2 3.73Å; Y273-F293 HydrophobicContact CE2-CE2 3.73Å; Y273-F293 HydrophobicContact CG-CD2 4.42Å; Y273-F293 HydrophobicContact CG-CE2 4.05Å; Y273-F293 AromaticContact CZ-CE2 3.95Å
274	W	98.2	Very high	94.4	Very high	33 Å²	33	47.4 Å²	47.4	13%	0.125	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.6	176.3	-67.3	-110.2	0	0	0	108.4	I248 Y266 M267 K269 K272 F276 L281 P286	I248-W274 HydrophobicContact CD1-CB 3.72Å; I248-W274 HydrophobicContact CD1-CD2 3.57Å; I248-W274 HydrophobicContact CD1-CE3 4.07Å; I248-W274 HydrophobicContact CD1-CG 3.41Å; I248-W274 VanDerWaalsContact CD1-CG 3.41Å; I248-W274 HydrophobicContact CG1-CD2 3.98Å; I248-W274 HydrophobicContact CG1-CG 3.9Å; I248-W274 HydrophobicContact CG2-CD2 4.35Å; I248-W274 HydrophobicContact CG2-CE3 4.48Å; I248-W274 HydrophobicContact CG2-CH2 4.27Å; I248-W274 HydrophobicContact CG2-CZ2 4.04Å; I248-W274 HydrophobicContact CG2-CZ3 4.48Å; Y266-W274 WeakPolarHBondContact CA-O 3.41Å; M267-W274 PolarHBondContact N-O 2.97Å; M267-W274 PolarHBondContact O-N 2.76Å; K269-W274 HydrophobicContact CB-CH2 4.1Å; K269-W274 HydrophobicContact CB-CZ3 3.71Å; K272-W274 HydrophobicContact CB-CH2 4.02Å; K272-W274 HydrophobicContact CB-CZ3 3.93Å; W274-F276 HydrophobicContact CB-CD2 4.49Å; W274-F276 HydrophobicContact CB-CE2 3.74Å; W274-F276 HydrophobicContact CB-CZ 4.26Å; W274-L281 HydrophobicContact CB-CD1 3.99Å; W274-L281 HydrophobicContact CG-CD1 4.29Å; W274-P286 HydrophobicContact CD2-CB 3.74Å; W274-P286 HydrophobicContact CD2-CG 4.49Å; W274-P286 VanDerWaalsContact CE2-CB 3.49Å; W274-P286 HydrophobicContact CE3-CB 4.25Å; W274-P286 HydrophobicContact CG-CB 4.11Å; W274-P286 HydrophobicContact CH2-CB 4.24Å; W274-P286 HydrophobicContact CZ2-CB 3.77Å; W274-P286 HydrophobicContact CZ2-CG 3.76Å; W274-P286 HydrophobicContact CZ3-CB 4.45Å
275	R	96.9	Very high	94.6	Very high	67 Å²	67	47.3 Å²	47.3	25%	0.253	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.1	173.1	-172.7	170.5	72	-159.2	-1.2	109.8	T265 Y266 E282 Y285	T265-R275 WeakPolarHBondContact O-CA 3.15Å; Y266-R275 HydrophobicContact CD1-CB 4.5Å; Y266-R275 HydrophobicContact CD1-CG 4.43Å; Y266-R275 HydrophobicContact CE1-CB 4.42Å; Y266-R275 HydrophobicContact CE1-CG 4.08Å; Y266-R275 HydrophobicContact CE2-CG 4.27Å; Y266-R275 WeakPolarHBondContact OH-CD 3.48Å; R275-E282 IonicContact CZ-OE1 2.67Å; R275-E282 IonicContact CZ-OE2 2.75Å; R275-E282 IonicContact NE-OE1 2.91Å; R275-E282 PolarHBondContact NE-OE1 3.34Å; R275-E282 IonicContact NE-OE2 3.95Å; R275-E282 PolarHBondContact NE-OE2 3.12Å; R275-E282 IonicContact NH2-OE1 3.67Å; R275-E282 IonicContact NH2-OE2 3.76Å; R275-E282 PolarHBondContact NH2-OE2 3.3Å; R275-E282 PolarHBondContact O-N 3.18Å; R275-Y285 HydrophobicContact CB-CD1 4.16Å; R275-Y285 HydrophobicContact CB-CD2 3.99Å; R275-Y285 HydrophobicContact CB-CE1 3.89Å; R275-Y285 HydrophobicContact CB-CE2 3.68Å; R275-Y285 HydrophobicContact CB-CG 4.22Å; R275-Y285 VanDerWaalsContact CZ-OH 3.26Å; R275-Y285 PolarHBondContact NH1-OH 2.88Å
276	F	94.4	Very high	94.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.2	178.3	-61.3	-97.4	0	0	0	110.7	W246 I248 K264 T265 M267 W274 V280 L281	W246-F276 HydrophobicContact CB-CE1 4.45Å; W246-F276 HydrophobicContact CB-CZ 4.18Å; W246-F276 AromaticContact CE3-CD1 3.82Å; W246-F276 HydrophobicContact CE3-CD1 3.82Å; W246-F276 HydrophobicContact CE3-CD2 4.31Å; W246-F276 AromaticContact CE3-CE1 3.65Å; W246-F276 HydrophobicContact CE3-CE1 3.65Å; W246-F276 HydrophobicContact CE3-CE2 4.14Å; W246-F276 HydrophobicContact CE3-CG 4.17Å; W246-F276 AromaticContact CE3-CZ 3.82Å; W246-F276 HydrophobicContact CE3-CZ 3.82Å; W246-F276 HydrophobicContact CZ3-CD1 4.06Å; W246-F276 HydrophobicContact CZ3-CD2 4.43Å; W246-F276 HydrophobicContact CZ3-CE1 4.35Å; W246-F276 HydrophobicContact CZ3-CG 4.12Å; W246-F276 WeakPolarHBondContact O-CE1 3.22Å; W246-F276 WeakPolarHBondContact O-CZ 3.1Å; I248-F276 HydrophobicContact CD1-CE2 3.82Å; I248-F276 HydrophobicContact CD1-CZ 3.7Å; I248-F276 HydrophobicContact CG1-CZ 4.21Å; K264-F276 WeakPolarHBondContact CA-O 3.28Å; T265-F276 PolarHBondContact N-O 3.2Å; T265-F276 PolarHBondContact O-N 3.04Å; M267-F276 HydrophobicContact CB-CE2 4.39Å; M267-F276 HydrophobicContact CE-CE2 4.39Å; M267-F276 HydrophobicContact CG-CE2 4.06Å; M267-F276 HydrophobicContact SD-CE2 3.81Å; M267-F276 HydrophobicContact SD-CZ 4.35Å; W274-F276 HydrophobicContact CB-CD2 4.49Å; W274-F276 HydrophobicContact CB-CE2 3.74Å; W274-F276 HydrophobicContact CB-CZ 4.26Å; F276-V280 CarbonylContact C-O 3.6Å; F276-V280 WeakPolarHBondContact CA-O 3.29Å; F276-L281 HydrophobicContact CD1-CB 3.97Å; F276-L281 HydrophobicContact CD1-CD1 4.4Å; F276-L281 HydrophobicContact CE1-CB 3.7Å; F276-L281 HydrophobicContact CE1-CD1 4.04Å; F276-L281 HydrophobicContact CE1-CG 4.41Å; F276-L281 HydrophobicContact CE2-CD1 4.44Å; F276-L281 HydrophobicContact CZ-CB 4.5Å; F276-L281 HydrophobicContact CZ-CD1 4.06Å
277	D	90.3	Very high	94.7	Very high	50 Å²	50	53.6 Å²	53.6	27%	0.267	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.3	168.7	-147.8	-0.6	0	0	0	106.8	K264 G279 V280 E282	K264-D277 VanDerWaalsContact CE-CG 3.42Å; K264-D277 VanDerWaalsContact CE-OD1 3.31Å; K264-D277 WeakPolarHBondContact CE-OD1 3.44Å; K264-D277 VanDerWaalsContact CE-OD2 3.28Å; K264-D277 WeakPolarHBondContact CE-OD2 3.49Å; K264-D277 IonicContact NZ-OD1 3.77Å; K264-D277 IonicContact NZ-OD2 3.62Å; K264-D277 PolarHBondContact NZ-OD2 3.37Å; D277-G279 PolarHBondContact O-N 3.25Å; D277-V280 PolarHBondContact N-O 2.92Å; D277-V280 WeakPolarHBondContact O-CA 3.23Å; D277-V280 WeakPolarHBondContact O-CB 3.42Å; D277-V280 PolarHBondContact O-N 3.33Å; D277-E282 HydrophobicContact CB-CG 4.12Å
278	D	82.8	Confident	94.7	Very high	84 Å²	84	56 Å²	56	45%	0.449	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	22.7	-178.5	-76.3	7.5	0	0	0	116.9	K214 V280	K214-D278 WeakPolarHBondContact CD-OD1 3.43Å; K214-D278 WeakPolarHBondContact CE-OD1 3.48Å; K214-D278 IonicContact NZ-OD1 2.9Å; K214-D278 PolarHBondContact NZ-OD1 3.2Å; K214-D278 IonicContact NZ-OD2 3.91Å; K214-D278 PolarHBondContact NZ-OD2 3.16Å; D278-V280 VanDerWaalsContact C-N 3.33Å
279	G	83.9	Confident	94.6	Very high	34 Å²	34	56 Å²	56	35%	0.351	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-4.4	-175.2	0	0	0	0	0	114.2	D277	D277-G279 PolarHBondContact O-N 3.25Å
280	V	89.3	Confident	94.5	Very high	103 Å²	103	57.7 Å²	57.7	62%	0.624	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	128	168	-173.5	0	0	0	0	108.7	F276 D277 D278 E282	F276-V280 CarbonylContact C-O 3.6Å; F276-V280 WeakPolarHBondContact CA-O 3.29Å; D277-V280 PolarHBondContact N-O 2.92Å; D277-V280 WeakPolarHBondContact O-CA 3.23Å; D277-V280 WeakPolarHBondContact O-CB 3.42Å; D277-V280 PolarHBondContact O-N 3.33Å; D278-V280 VanDerWaalsContact C-N 3.33Å; V280-E282 PolarHBondContact O-N 2.87Å
281	L	94	Very high	94.3	Very high	66 Å²	66	61.9 Å²	61.9	35%	0.346	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126.8	172.5	177.9	58.9	0	0	0	109.2	W274 F276	W274-L281 HydrophobicContact CB-CD1 3.99Å; W274-L281 HydrophobicContact CG-CD1 4.29Å; F276-L281 HydrophobicContact CD1-CB 3.97Å; F276-L281 HydrophobicContact CD1-CD1 4.4Å; F276-L281 HydrophobicContact CE1-CB 3.7Å; F276-L281 HydrophobicContact CE1-CD1 4.04Å; F276-L281 HydrophobicContact CE1-CG 4.41Å; F276-L281 HydrophobicContact CE2-CD1 4.44Å; F276-L281 HydrophobicContact CZ-CB 4.5Å; F276-L281 HydrophobicContact CZ-CD1 4.06Å
282	E	95	Very high	94	Very high	34 Å²	34	59.6 Å²	59.6	16%	0.159	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-71.8	151.2	176.5	-73.8	-174.2	-141.2	0	0	112.5	K264 R275 D277 V280 Y285	K264-E282 WeakPolarHBondContact CD-OE1 3.36Å; K264-E282 IonicContact NZ-OE1 2.71Å; K264-E282 PolarHBondContact NZ-OE1 3.39Å; R275-E282 IonicContact CZ-OE1 2.67Å; R275-E282 IonicContact CZ-OE2 2.75Å; R275-E282 IonicContact NE-OE1 2.91Å; R275-E282 PolarHBondContact NE-OE1 3.34Å; R275-E282 IonicContact NE-OE2 3.95Å; R275-E282 PolarHBondContact NE-OE2 3.12Å; R275-E282 IonicContact NH2-OE1 3.67Å; R275-E282 IonicContact NH2-OE2 3.76Å; R275-E282 PolarHBondContact NH2-OE2 3.3Å; R275-E282 PolarHBondContact O-N 3.18Å; D277-E282 HydrophobicContact CB-CG 4.12Å; V280-E282 PolarHBondContact O-N 2.87Å; E282-Y285 HydrophobicContact CB-CD2 3.75Å; E282-Y285 HydrophobicContact CB-CE2 4.12Å
283	D	92.5	Very high	93.8	Very high	152 Å²	152	56.5 Å²	56.5	81%	0.813	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	157.8	169.6	-68.7	-51.6	0	0	0	111.8	Y285	D283-Y285 VanDerWaalsContact O-CD2 3.29Å; D283-Y285 WeakPolarHBondContact O-CD2 3.37Å; D283-Y285 PolarHBondContact O-N 2.78Å
284	D	94.2	Very high	93.4	Very high	121 Å²	121	60.4 Å²	60.4	65%	0.647	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	16.9	-171.1	-56.7	-23.3	0	0	0	116.4	R287	D284-R287 WeakPolarHBondContact O-CG 3.49Å; D284-R287 PolarHBondContact O-NE 2.91Å; D284-R287 VanDerWaalsContact O-NE 3.1Å; D284-R287 IonicContact OD2-NH2 2.76Å; D284-R287 PolarHBondContact OD2-NH2 3.16Å
285	Y	95.8	Very high	93.1	Very high	28 Å²	28	65.3 Å²	65.3	11%	0.11	36%	0.356	C	S	.	.			trans	-109.1	147.1	172.3	-74.5	-79.4	0	0	0	112.9	Y273 R275 E282 D283 R287	Y273-Y285 HydrophobicContact CD2-CE1 4.06Å; Y273-Y285 HydrophobicContact CE1-CE1 4.44Å; Y273-Y285 HydrophobicContact CE2-CD1 4.22Å; Y273-Y285 AromaticContact CE2-CE1 3.37Å; Y273-Y285 HydrophobicContact CE2-CE1 3.37Å; Y273-Y285 AromaticContact CZ-CE1 3.59Å; Y273-Y285 PolarHBondContact OH-OH 3.3Å; R275-Y285 HydrophobicContact CB-CD1 4.16Å; R275-Y285 HydrophobicContact CB-CD2 3.99Å; R275-Y285 HydrophobicContact CB-CE1 3.89Å; R275-Y285 HydrophobicContact CB-CE2 3.68Å; R275-Y285 HydrophobicContact CB-CG 4.22Å; R275-Y285 VanDerWaalsContact CZ-OH 3.26Å; R275-Y285 PolarHBondContact NH1-OH 2.88Å; E282-Y285 HydrophobicContact CB-CD2 3.75Å; E282-Y285 HydrophobicContact CB-CE2 4.12Å; D283-Y285 VanDerWaalsContact O-CD2 3.29Å; D283-Y285 WeakPolarHBondContact O-CD2 3.37Å; D283-Y285 PolarHBondContact O-N 2.78Å; Y285-R287 HydrophobicContact CD1-CB 4.19Å; Y285-R287 HydrophobicContact CD1-CG 3.82Å; Y285-R287 HydrophobicContact CE1-CB 4Å; Y285-R287 HydrophobicContact CE1-CG 3.68Å
286	P	97.4	Very high	93	Very high	55 Å²	55	62.7 Å²	62.7	36%	0.357	35%	0.347	S	S	.	.	S	Bend	cis	-77.6	153.8	5.1	29.1	-34.2	0	0	0	115.6	K272 Y273 W274	K272-P286 HydrophobicContact CB-CB 4.23Å; K272-P286 HydrophobicContact CD-CB 4.26Å; K272-P286 HydrophobicContact CD-CG 4.18Å; Y273-P286 VanDerWaalsContact O-CA 3.24Å; Y273-P286 WeakPolarHBondContact O-CA 3.42Å; Y273-P286 WeakPolarHBondContact O-CB 3.37Å; W274-P286 HydrophobicContact CD2-CB 3.74Å; W274-P286 HydrophobicContact CD2-CG 4.49Å; W274-P286 VanDerWaalsContact CE2-CB 3.49Å; W274-P286 HydrophobicContact CE3-CB 4.25Å; W274-P286 HydrophobicContact CG-CB 4.11Å; W274-P286 HydrophobicContact CH2-CB 4.24Å; W274-P286 HydrophobicContact CZ2-CB 3.77Å; W274-P286 HydrophobicContact CZ2-CG 3.76Å; W274-P286 HydrophobicContact CZ3-CB 4.45Å
287	R	97.5	Very high	93	Very high	90 Å²	90	64 Å²	64	34%	0.34	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	158.8	171.4	-61.7	-172.1	175.4	-150.4	2.9	110.3	K272 Y273 D284 Y285	K272-R287 CarbonylContact C-O 3.57Å; K272-R287 VanDerWaalsContact CA-O 3.31Å; K272-R287 WeakPolarHBondContact CA-O 3.43Å; Y273-R287 HydrophobicContact CD1-CB 4.42Å; Y273-R287 WeakPolarHBondContact CD1-O 3.24Å; Y273-R287 HydrophobicContact CE1-CB 3.83Å; Y273-R287 PolarHBondContact N-O 3.27Å; Y273-R287 PolarHBondContact O-N 2.96Å; D284-R287 WeakPolarHBondContact O-CG 3.49Å; D284-R287 PolarHBondContact O-NE 2.91Å; D284-R287 VanDerWaalsContact O-NE 3.1Å; D284-R287 IonicContact OD2-NH2 2.76Å; D284-R287 PolarHBondContact OD2-NH2 3.16Å; Y285-R287 HydrophobicContact CD1-CB 4.19Å; Y285-R287 HydrophobicContact CD1-CG 3.82Å; Y285-R287 HydrophobicContact CE1-CB 4Å; Y285-R287 HydrophobicContact CE1-CG 3.68Å
288	D	97.8	Very high	93.3	Very high	51 Å²	51	64.5 Å²	64.5	27%	0.273	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.2	175.2	-62.9	-61.7	0	0	0	111	N271 K272 S290 V291 G292	N271-D288 PolarHBondContact ND2-OD1 3.33Å; N271-D288 CarbonylContact O-C 3.59Å; N271-D288 VanDerWaalsContact O-CA 3.3Å; N271-D288 WeakPolarHBondContact O-CA 3.29Å; K272-D288 WeakPolarHBondContact CG-OD1 3.43Å; K272-D288 VanDerWaalsContact NZ-CG 3.33Å; K272-D288 IonicContact NZ-OD1 3.7Å; K272-D288 PolarHBondContact NZ-OD1 2.78Å; K272-D288 IonicContact NZ-OD2 3.18Å; K272-D288 PolarHBondContact NZ-OD2 2.9Å; D288-S290 VanDerWaalsContact C-N 3.29Å; D288-S290 PolarHBondContact O-N 3.33Å; D288-V291 HydrophobicContact CB-CG2 4.28Å; D288-V291 WeakPolarHBondContact O-CB 3.47Å; D288-V291 PolarHBondContact O-N 2.91Å; D288-G292 PolarHBondContact O-N 2.93Å
289	I	97.3	Very high	94	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-57.6	-44	-174.1	-68.6	168.5	0	0	0	110.6	F268 G270 N271 Y273 V291 G292 F293 I296	F268-I289 HydrophobicContact CD1-CD1 3.89Å; F268-I289 HydrophobicContact CD1-CG1 3.93Å; F268-I289 HydrophobicContact CE1-CG1 4.36Å; G270-I289 WeakPolarHBondContact O-CD1 3.28Å; N271-I289 PolarHBondContact O-N 3.43Å; Y273-I289 HydrophobicContact CD1-CG1 4.33Å; I289-V291 PolarHBondContact O-N 3.4Å; I289-G292 PolarHBondContact O-N 2.94Å; I289-F293 HydrophobicContact CG2-CB 4.19Å; I289-F293 WeakPolarHBondContact O-CA 3.28Å; I289-F293 PolarHBondContact O-N 3.35Å; I289-I296 HydrophobicContact CG2-CB 4.16Å; I289-I296 HydrophobicContact CG2-CG2 4.01Å
290	S	95.1	Very high	94.7	Very high	83 Å²	83	64 Å²	64	58%	0.58	34%	0.344	S	S	*	.	H	α-helix	trans	-58.2	-18	176.5	56.5	0	0	0	0	115.5	D288	D288-S290 VanDerWaalsContact C-N 3.29Å; D288-S290 PolarHBondContact O-N 3.33Å
291	V	94.3	Very high	95.1	Very high	102 Å²	102	61.6 Å²	61.6	62%	0.618	33%	0.328	S	S	*	.	H	α-helix	trans	-90	-32.1	176.3	-179.2	0	0	0	0	111.9	D288 I289	D288-V291 HydrophobicContact CB-CG2 4.28Å; D288-V291 WeakPolarHBondContact O-CB 3.47Å; D288-V291 PolarHBondContact O-N 2.91Å; I289-V291 PolarHBondContact O-N 3.4Å
292	G	91.9	Very high	95.3	Very high	18 Å²	18	58.5 Å²	58.5	19%	0.186	31%	0.311	C	S	.	.	H	α-helix	trans	-94.4	-29.3	-179.7	0	0	0	0	0	114.6	Y273 D288 I289 Y328	Y273-G292 WeakPolarHBondContact OH-CA 3.38Å; D288-G292 PolarHBondContact O-N 2.93Å; I289-G292 PolarHBondContact O-N 2.94Å; G292-Y328 PolarHBondContact O-OH 3.02Å
293	F	93.9	Very high	95.4	Very high	2 Å²	2	57 Å²	57	1%	0.009	31%	0.305	C	S	.	.	S	Bend	trans	-138	79.1	-166.5	-66.2	-83.9	0	0	0	110.4	F256 Y266 F268 Y273 I289 K295 I296 F319 Y328 F330	F256-F293 HydrophobicContact CZ-CE1 4.2Å; F256-F293 HydrophobicContact CZ-CZ 4.07Å; Y266-F293 AromaticContact CD1-CE2 3.93Å; Y266-F293 HydrophobicContact CD1-CE2 3.93Å; Y266-F293 AromaticContact CD1-CZ 3.6Å; Y266-F293 HydrophobicContact CD1-CZ 3.6Å; Y266-F293 HydrophobicContact CE1-CE2 4.14Å; Y266-F293 AromaticContact CE1-CZ 3.69Å; Y266-F293 HydrophobicContact CE1-CZ 3.69Å; Y266-F293 HydrophobicContact CG-CZ 4.43Å; F268-F293 AromaticContact CE1-CD2 3.84Å; F268-F293 HydrophobicContact CE1-CD2 3.84Å; F268-F293 AromaticContact CE1-CE2 3.67Å; F268-F293 HydrophobicContact CE1-CE2 3.67Å; F268-F293 HydrophobicContact CE1-CZ 4.3Å; F268-F293 HydrophobicContact CZ-CD2 4.13Å; F268-F293 HydrophobicContact CZ-CE1 4.47Å; F268-F293 AromaticContact CZ-CE2 3.53Å; F268-F293 HydrophobicContact CZ-CE2 3.53Å; F268-F293 AromaticContact CZ-CZ 3.74Å; F268-F293 HydrophobicContact CZ-CZ 3.74Å; Y273-F293 HydrophobicContact CD1-CD2 4.22Å; Y273-F293 HydrophobicContact CD1-CE2 4.25Å; Y273-F293 AromaticContact CD2-CE2 3.8Å; Y273-F293 HydrophobicContact CD2-CE2 3.8Å; Y273-F293 HydrophobicContact CE1-CD2 4.14Å; Y273-F293 HydrophobicContact CE1-CE2 4.21Å; Y273-F293 HydrophobicContact CE2-CD2 4.47Å; Y273-F293 AromaticContact CE2-CE2 3.73Å; Y273-F293 HydrophobicContact CE2-CE2 3.73Å; Y273-F293 HydrophobicContact CG-CD2 4.42Å; Y273-F293 HydrophobicContact CG-CE2 4.05Å; Y273-F293 AromaticContact CZ-CE2 3.95Å; I289-F293 HydrophobicContact CG2-CB 4.19Å; I289-F293 WeakPolarHBondContact O-CA 3.28Å; I289-F293 PolarHBondContact O-N 3.35Å; F293-K295 PolarHBondContact O-N 2.77Å; F293-I296 HydrophobicContact CB-CB 3.88Å; F293-I296 HydrophobicContact CB-CG1 3.76Å; F293-I296 WeakPolarHBondContact O-CB 3.47Å; F293-I296 PolarHBondContact O-N 3.17Å; F293-I296 VanDerWaalsContact O-N 3.11Å; F293-F319 AromaticContact CD1-CE2 3.89Å; F293-F319 HydrophobicContact CD1-CE2 3.89Å; F293-F319 AromaticContact CD1-CZ 3.77Å; F293-F319 HydrophobicContact CD1-CZ 3.77Å; F293-F319 HydrophobicContact CE1-CE2 4.21Å; F293-F319 AromaticContact CE1-CZ 3.86Å; F293-F319 HydrophobicContact CE1-CZ 3.86Å; F293-F319 HydrophobicContact CG-CZ 4.23Å; F293-F319 HydrophobicContact CZ-CZ 4.39Å; F293-Y328 HydrophobicContact CB-CD2 4.4Å; F293-Y328 HydrophobicContact CB-CE2 4.37Å; F293-Y328 AromaticContact CD1-CD1 3.59Å; F293-Y328 HydrophobicContact CD1-CD1 3.59Å; F293-Y328 HydrophobicContact CD1-CD2 4.07Å; F293-Y328 AromaticContact CD1-CE1 3.67Å; F293-Y328 HydrophobicContact CD1-CE1 3.67Å; F293-Y328 HydrophobicContact CD1-CE2 4.14Å; F293-Y328 AromaticContact CD1-CG 3.8Å; F293-Y328 HydrophobicContact CD1-CG 3.8Å; F293-Y328 AromaticContact CD1-CZ 3.94Å; F293-Y328 AromaticContact CE1-CD1 3.86Å; F293-Y328 HydrophobicContact CE1-CD1 3.86Å; F293-Y328 AromaticContact CE1-CE1 3.87Å; F293-Y328 HydrophobicContact CE1-CE1 3.87Å; F293-Y328 HydrophobicContact CE1-CG 4.47Å; F293-F330 HydrophobicContact CE1-CE1 4.21Å; F293-F330 HydrophobicContact CE1-CZ 4.2Å
294	D	90.1	Very high	95.6	Very high	94 Å²	94	49.9 Å²	49.9	50%	0.503	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	138.7	178.6	175.7	35.4	0	0	0	112.6	I296	D294-I296 PolarHBondContact O-N 2.76Å; D294-I296 VanDerWaalsContact O-N 3.14Å
295	K	90.1	Very high	95.6	Very high	136 Å²	136	44.3 Å²	44.3	59%	0.591	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	-5	-171.4	-55.7	120.2	-177.3	156.2	0	117.5	F293	F293-K295 PolarHBondContact O-N 2.77Å
296	I	94.9	Very high	95.3	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.062	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-75.5	131.5	175.2	-56.2	-52.5	0	0	0	109.4	I289 F293 D294 V300 F319 Y326 Y328	I289-I296 HydrophobicContact CG2-CB 4.16Å; I289-I296 HydrophobicContact CG2-CG2 4.01Å; F293-I296 HydrophobicContact CB-CB 3.88Å; F293-I296 HydrophobicContact CB-CG1 3.76Å; F293-I296 WeakPolarHBondContact O-CB 3.47Å; F293-I296 PolarHBondContact O-N 3.17Å; F293-I296 VanDerWaalsContact O-N 3.11Å; D294-I296 PolarHBondContact O-N 2.76Å; D294-I296 VanDerWaalsContact O-N 3.14Å; I296-V300 HydrophobicContact CG2-CG1 4.02Å; I296-F319 HydrophobicContact CD1-CB 4.49Å; I296-F319 HydrophobicContact CD1-CD2 3.66Å; I296-F319 HydrophobicContact CD1-CE2 4.21Å; I296-F319 HydrophobicContact CD1-CG 4.33Å; I296-F319 HydrophobicContact CG1-CD2 3.86Å; I296-F319 HydrophobicContact CG1-CE2 3.95Å; I296-F319 HydrophobicContact CG2-CB 4.17Å; I296-F319 HydrophobicContact CG2-CD1 3.97Å; I296-F319 HydrophobicContact CG2-CD2 3.93Å; I296-F319 HydrophobicContact CG2-CE1 4.28Å; I296-F319 HydrophobicContact CG2-CE2 4.24Å; I296-F319 HydrophobicContact CG2-CG 3.78Å; I296-F319 HydrophobicContact CG2-CZ 4.4Å; I296-Y326 HydrophobicContact CD1-CG 4.32Å; I296-Y328 HydrophobicContact CG1-CD2 4.39Å
297	P	95.7	Very high	94.9	Very high	28 Å²	28	40.9 Å²	40.9	18%	0.182	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-74.4	154	179.9	31.3	-36.5	0	0	0	112.1	V300 K321 Y326	P297-V300 HydrophobicContact CG-CG1 4.26Å; P297-V300 WeakPolarHBondContact O-CG1 3.14Å; P297-K321 HydrophobicContact CB-CD 3.96Å; P297-K321 HydrophobicContact CG-CB 4.36Å; P297-K321 HydrophobicContact CG-CD 3.74Å; P297-Y326 HydrophobicContact CG-CD2 4.16Å; P297-Y326 HydrophobicContact CG-CE1 4.34Å; P297-Y326 HydrophobicContact CG-CE2 3.68Å
298	D	97.1	Very high	94.2	Very high	61 Å²	61	37 Å²	37	33%	0.326	21%	0.206	S	C	.	.	S	Bend	trans	-64.4	155.3	163.7	-57.2	-42.2	0	0	0	110.7	N271 K321	N271-D298 VanDerWaalsContact CA-OD1 3.32Å; N271-D298 WeakPolarHBondContact CA-OD1 3.26Å; N271-D298 HydrophobicContact CB-CB 3.79Å; N271-D298 WeakPolarHBondContact CB-OD1 3.2Å; D298-K321 PolarHBondContact O-NZ 2.86Å
299	H	96.5	Very high	93.2	Very high	107 Å²	107	37.8 Å²	37.8	50%	0.495	21%	0.208	S	C	.	.	S	Bend	trans	53.8	74.5	-176.1	-54.4	-99.1	0	0	0	111.6	G270 K321	G270-H299 PolarHBondContact O-N 3.23Å; H299-K321 WeakPolarHBondContact O-CD 3.35Å; H299-K321 WeakPolarHBondContact O-CE 3.34Å; H299-K321 PolarHBondContact O-NZ 2.61Å
300	V	97.7	Very high	91.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	22%	0.215	C	C	.	.			trans	-90	135.3	172.4	-79	0	0	0	0	109.7	D253 A254 F268 I296 P297 F319 F320	D253-V300 CarbonylContact C-O 3.51Å; D253-V300 VanDerWaalsContact CB-O 3.29Å; D253-V300 WeakPolarHBondContact CB-O 3.13Å; A254-V300 HydrophobicContact CB-CG2 3.79Å; F268-V300 HydrophobicContact CB-CG2 4.1Å; F268-V300 HydrophobicContact CD1-CG2 4.41Å; F268-V300 HydrophobicContact CG-CG2 4.32Å; I296-V300 HydrophobicContact CG2-CG1 4.02Å; P297-V300 HydrophobicContact CG-CG1 4.26Å; P297-V300 WeakPolarHBondContact O-CG1 3.14Å; V300-F319 HydrophobicContact CB-CD1 4.34Å; V300-F319 HydrophobicContact CG1-CB 4.08Å; V300-F319 HydrophobicContact CG1-CD1 4Å; V300-F319 HydrophobicContact CG1-CG 4.43Å; V300-F319 HydrophobicContact CG2-CD1 4.18Å; V300-F320 CarbonylContact C-O 3.46Å
301	D	97.9	Very high	90.6	Very high	53 Å²	53	38 Å²	38	28%	0.283	20%	0.201	S	C	.	.	S	Bend	trans	-84	-20	-175	-46.9	-26.6	0	0	0	112.5	D253 F320 K321 G322 V394 D395	D253-D301 CarbonylContact O-C 3.56Å; D301-F320 PolarHBondContact N-O 3.07Å; D301-K321 WeakPolarHBondContact OD2-CA 3.14Å; D301-G322 PolarHBondContact OD2-N 2.93Å; D301-V394 WeakPolarHBondContact CB-O 3.46Å; D301-D395 CarbonylContact O-C 3.54Å
302	A	97.9	Very high	89.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	158.9	175.2	0	0	0	0	0	111.8	F319 F320 V394 A397	A302-F319 WeakPolarHBondContact O-CA 3.2Å; A302-F320 HydrophobicContact CB-CB 4.15Å; A302-F320 HydrophobicContact CB-CD2 4.24Å; A302-F320 PolarHBondContact O-N 3.45Å; A302-V394 HydrophobicContact CB-CG2 3.97Å; A302-A397 HydrophobicContact CB-CB 3.8Å
303	A	97.8	Very high	88.6	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152.1	167.5	0	0	0	0	0	112.7	A254 F256 V317 Y318 F319	A254-A303 HydrophobicContact CB-CB 3.89Å; F256-A303 HydrophobicContact CD1-CB 3.87Å; F256-A303 HydrophobicContact CE1-CB 4.45Å; A303-V317 HydrophobicContact CB-CG1 4.47Å; A303-Y318 CarbonylContact C-O 3.47Å; A303-Y318 WeakPolarHBondContact CA-O 3.21Å; A303-F319 HydrophobicContact CB-CD1 3.63Å; A303-F319 HydrophobicContact CB-CE1 3.89Å; A303-F319 HydrophobicContact CB-CG 4.33Å
304	F	96.1	Very high	88.1	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.9	164.3	69.2	-94.1	0	0	0	111.5	L306 V317 Y318 F320 W387 A397 V527 F529	F304-L306 HydrophobicContact CD2-CD2 4.12Å; F304-L306 HydrophobicContact CD2-CG 4.19Å; F304-L306 HydrophobicContact CE2-CD1 4.13Å; F304-L306 HydrophobicContact CE2-CD2 3.92Å; F304-L306 HydrophobicContact CE2-CG 3.87Å; F304-V317 WeakPolarHBondContact O-CA 3.38Å; F304-V317 WeakPolarHBondContact O-CG1 3.39Å; F304-Y318 HydrophobicContact CE1-CG 4.2Å; F304-Y318 AromaticContact CE2-CD2 3.94Å; F304-Y318 HydrophobicContact CE2-CD2 3.94Å; F304-Y318 HydrophobicContact CE2-CG 4.09Å; F304-Y318 HydrophobicContact CZ-CD1 4.19Å; F304-Y318 AromaticContact CZ-CD2 3.98Å; F304-Y318 HydrophobicContact CZ-CD2 3.98Å; F304-Y318 AromaticContact CZ-CG 3.68Å; F304-Y318 HydrophobicContact CZ-CG 3.68Å; F304-Y318 PolarHBondContact N-O 3.28Å; F304-Y318 PolarHBondContact O-N 2.82Å; F304-F320 AromaticContact CD1-CE2 3.82Å; F304-F320 HydrophobicContact CD1-CE2 3.82Å; F304-F320 HydrophobicContact CD1-CZ 4.48Å; F304-F320 AromaticContact CE1-CE2 3.48Å; F304-F320 HydrophobicContact CE1-CE2 3.48Å; F304-F320 VanDerWaalsContact CE1-CE2 3.48Å; F304-F320 AromaticContact CE1-CZ 3.71Å; F304-F320 HydrophobicContact CE1-CZ 3.71Å; F304-W387 HydrophobicContact CE1-CH2 4.47Å; F304-W387 HydrophobicContact CE1-CZ2 4.49Å; F304-W387 AromaticContact CZ-CH2 3.88Å; F304-W387 HydrophobicContact CZ-CH2 3.88Å; F304-W387 HydrophobicContact CZ-CZ2 4.09Å; F304-A397 HydrophobicContact CD1-CB 3.97Å; F304-V527 HydrophobicContact CD1-CG1 3.76Å; F304-V527 HydrophobicContact CD2-CG1 4.48Å; F304-V527 HydrophobicContact CD2-CG2 4.41Å; F304-V527 HydrophobicContact CE1-CG1 3.62Å; F304-V527 HydrophobicContact CE1-CG2 4.39Å; F304-V527 HydrophobicContact CE2-CG1 4.38Å; F304-V527 HydrophobicContact CE2-CG2 3.89Å; F304-V527 HydrophobicContact CG-CG1 4.2Å; F304-V527 HydrophobicContact CZ-CG1 3.97Å; F304-V527 HydrophobicContact CZ-CG2 3.88Å; F304-F529 HydrophobicContact CE1-CE1 4.13Å; F304-F529 AromaticContact CE1-CZ 3.88Å; F304-F529 HydrophobicContact CE1-CZ 3.88Å
305	A	93.9	Very high	88	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	152.5	176	0	0	0	0	0	112	F256 T257 K316 V317	F256-A305 HydrophobicContact CB-CB 4.44Å; F256-A305 HydrophobicContact CD2-CB 3.73Å; F256-A305 HydrophobicContact CE2-CB 4.35Å; F256-A305 HydrophobicContact CG-CB 4.29Å; T257-A305 WeakPolarHBondContact O-CB 3.31Å; A305-K316 CarbonylContact C-O 3.51Å; A305-K316 WeakPolarHBondContact CA-O 3.17Å; A305-V317 HydrophobicContact CB-CG2 4.24Å
306	L	91.3	Very high	88	Confident	6 Å²	6	34.3 Å²	34.3	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.3	169.4	-62.9	177.5	0	0	0	109.2	F304 K316 Y318 Y370 L540	F304-L306 HydrophobicContact CD2-CD2 4.12Å; F304-L306 HydrophobicContact CD2-CG 4.19Å; F304-L306 HydrophobicContact CE2-CD1 4.13Å; F304-L306 HydrophobicContact CE2-CD2 3.92Å; F304-L306 HydrophobicContact CE2-CG 3.87Å; L306-K316 PolarHBondContact N-O 3.41Å; L306-K316 PolarHBondContact O-N 3.4Å; L306-Y318 HydrophobicContact CD1-CD2 4.24Å; L306-Y318 HydrophobicContact CD1-CE2 3.86Å; L306-Y370 HydrophobicContact CD1-CD1 4.08Å; L306-Y370 HydrophobicContact CD1-CE1 4.44Å; L306-Y370 HydrophobicContact CD2-CE1 4.14Å; L306-L540 HydrophobicContact CD1-CD1 4.19Å; L306-L540 HydrophobicContact CD1-CD2 3.94Å; L306-L540 HydrophobicContact CD2-CD2 3.63Å; L306-L540 HydrophobicContact CG-CD2 4.46Å
307	P	87.8	Confident	88	Confident	4 Å²	4	33.7 Å²	33.7	3%	0.026	17%	0.168	C	C	.	.			trans	-63.2	175.4	170.9	31.1	-36.6	0	0	0	110.8	I259 Y354 Y370	I259-P307 HydrophobicContact CB-CB 4.23Å; I259-P307 HydrophobicContact CG2-CB 3.98Å; I259-P307 HydrophobicContact CG2-CG 4.4Å; P307-Y354 HydrophobicContact CB-CD1 3.97Å; P307-Y354 HydrophobicContact CB-CD2 3.87Å; P307-Y354 HydrophobicContact CB-CE1 4.06Å; P307-Y354 HydrophobicContact CB-CE2 3.95Å; P307-Y354 HydrophobicContact CB-CG 3.88Å; P307-Y354 HydrophobicContact CG-CD2 3.58Å; P307-Y354 HydrophobicContact CG-CE2 3.77Å; P307-Y354 HydrophobicContact CG-CG 4.02Å; P307-Y370 HydrophobicContact CG-CD2 4.47Å; P307-Y370 HydrophobicContact CG-CE2 3.63Å
308	A	83.2	Confident	87.9	Confident	10 Å²	10	32.6 Å²	32.6	8%	0.083	16%	0.16	C	C	.	.			trans	-61.2	157	165	0	0	0	0	0	111.5	S310 G313 Y354	A308-S310 WeakPolarHBondContact CB-O 3.48Å; A308-G313 WeakPolarHBondContact CB-O 3.42Å; A308-Y354 VanDerWaalsContact O-CZ 3.3Å; A308-Y354 PolarHBondContact O-OH 3.07Å
309	H	76.2	Confident	87.9	Confident	66 Å²	66	29.7 Å²	29.7	31%	0.306	15%	0.145	S	C	.	.	S	Bend	trans	-84.5	-20.1	173.1	66.1	-97.2	0	0	0	113.3	G313 Y370	H309-G313 VanDerWaalsContact CE1-CA 3.46Å; H309-G313 WeakPolarHBondContact CE1-CA 3.22Å; H309-Y370 HydrophobicContact CB-CD2 4.46Å
310	S	71	Confident	88	Confident	21 Å²	21	24.6 Å²	24.6	15%	0.147	12%	0.121	C	C	.	.	S	Bend	trans	-153.2	172.1	174.1	69	0	0	0	0	110.8	A308 H312 G313 Y358	A308-S310 WeakPolarHBondContact CB-O 3.48Å; S310-H312 PolarHBondContact O-N 2.76Å; S310-H312 VanDerWaalsContact O-N 3.09Å; S310-H312 PolarHBondContact OG-N 3.3Å; S310-G313 PolarHBondContact O-N 2.85Å; S310-G313 PolarHBondContact OG-N 2.88Å; S310-Y358 WeakPolarHBondContact CA-OH 3.48Å; S310-Y358 WeakPolarHBondContact CB-OH 3.24Å
311	H	67.4	Low	88	Confident	66 Å²	66	27.9 Å²	27.9	31%	0.306	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.4	173.8	-63.8	-17.2	0	0	0	114.6	Y358 W489	H311-Y358 AromaticContact CD2-CE1 3.87Å; H311-Y358 AromaticContact CE1-CD1 3.33Å; H311-Y358 WeakPolarHBondContact CE1-CD1 3.38Å; H311-Y358 AromaticContact CE1-CE1 3.14Å; H311-Y358 WeakPolarHBondContact CE1-CE1 3.38Å; H311-Y358 AromaticContact CE1-CG 3.87Å; H311-Y358 AromaticContact CE1-CZ 3.48Å; H311-Y358 VanDerWaalsContact CE1-CZ 3.48Å; H311-Y358 AromaticContact CG-CZ 3.91Å; H311-Y358 PolarHBondContact N-OH 3.35Å; H311-Y358 AromaticContact ND1-CE1 3.61Å; H311-Y358 AromaticContact ND1-CE2 3.92Å; H311-Y358 AromaticContact ND1-CZ 3.44Å; H311-Y358 AromaticContact NE2-CD1 3.68Å; H311-Y358 AromaticContact NE2-CE1 3.31Å; H311-Y358 VanDerWaalsContact NE2-CE1 3.31Å; H311-Y358 WeakPolarHBondContact NE2-CE1 3.45Å; H311-Y358 AromaticContact NE2-CZ 3.95Å; H311-W489 HydrophobicContact CB-CH2 4.17Å; H311-W489 HydrophobicContact CB-CZ3 4.14Å; H311-W489 AromaticContact CD2-CH2 3.52Å; H311-W489 AromaticContact CD2-CZ3 3.52Å; H311-W489 AromaticContact CE1-CH2 3.43Å; H311-W489 VanDerWaalsContact CE1-CH2 3.43Å; H311-W489 WeakPolarHBondContact CE1-CH2 3.33Å; H311-W489 AromaticContact CE1-CZ2 3.62Å; H311-W489 AromaticContact CG-CH2 3.47Å; H311-W489 VanDerWaalsContact CG-CH2 3.47Å; H311-W489 AromaticContact CG-CZ3 3.71Å; H311-W489 AromaticContact ND1-CH2 3.42Å; H311-W489 WeakPolarHBondContact ND1-CH2 3.21Å; H311-W489 AromaticContact NE2-CH2 3.5Å; H311-W489 AromaticContact NE2-CZ2 3.74Å; H311-W489 AromaticContact NE2-CZ3 3.88Å
312	H	68.9	Low	87.9	Confident	167 Å²	167	26.8 Å²	26.8	77%	0.773	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-4	175.4	-57.7	-40.8	0	0	0	113	S310	S310-H312 PolarHBondContact O-N 2.76Å; S310-H312 VanDerWaalsContact O-N 3.09Å; S310-H312 PolarHBondContact OG-N 3.3Å
313	G	75.5	Confident	87.8	Confident	4 Å²	4	30.1 Å²	30.1	4%	0.041	16%	0.155	C	C	.	.	S	Bend	trans	-81.1	158.5	173.3	0	0	0	0	0	111.8	A308 H309 S310 Q333	A308-G313 WeakPolarHBondContact CB-O 3.42Å; H309-G313 VanDerWaalsContact CE1-CA 3.46Å; H309-G313 WeakPolarHBondContact CE1-CA 3.22Å; S310-G313 PolarHBondContact O-N 2.85Å; S310-G313 PolarHBondContact OG-N 2.88Å; G313-Q333 PolarHBondContact O-NE2 2.89Å; G313-Q333 PolarHBondContact O-OE1 2.87Å
314	K	83	Confident	87.7	Confident	76 Å²	76	31.8 Å²	31.8	33%	0.33	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-93.6	145.9	178	-66.4	172.3	-175.2	168.1	0	112.1	E329 F330	K314-E329 HydrophobicContact CB-CB 4.34Å; K314-E329 HydrophobicContact CD-CB 4.05Å; K314-E329 IonicContact NZ-OE2 2.68Å; K314-F330 WeakPolarHBondContact CD-O 3.21Å
315	E	87.7	Confident	87.6	Confident	6 Å²	6	31.8 Å²	31.8	3%	0.028	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-61.4	143.2	163.3	-66.6	164.1	-117	0	0	110.7	R258 N260 F330	R258-E315 IonicContact CZ-OE1 3.39Å; R258-E315 IonicContact CZ-OE2 2.69Å; R258-E315 IonicContact NE-OE1 3.58Å; R258-E315 IonicContact NE-OE2 2.96Å; R258-E315 PolarHBondContact NE-OE2 3.09Å; R258-E315 IonicContact NH2-OE1 2.71Å; R258-E315 PolarHBondContact NH2-OE1 3.41Å; R258-E315 IonicContact NH2-OE2 3.57Å; R258-E315 PolarHBondContact NH2-OE2 2.87Å; N260-E315 WeakPolarHBondContact CB-OE1 3.1Å; N260-E315 PolarHBondContact ND2-OE1 2.94Å; N260-E315 PolarHBondContact ND2-OE2 3.02Å; E315-F330 HydrophobicContact CB-CB 4.43Å; E315-F330 HydrophobicContact CB-CD2 3.86Å; E315-F330 PolarHBondContact O-N 2.69Å
316	K	90.3	Very high	87.6	Confident	22 Å²	22	33 Å²	33	10%	0.096	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.2	-179	-71.5	179	176.2	173.1	0	111.5	A305 L306 V327 Y328 E329 D372	A305-K316 CarbonylContact C-O 3.51Å; A305-K316 WeakPolarHBondContact CA-O 3.17Å; L306-K316 PolarHBondContact N-O 3.41Å; L306-K316 PolarHBondContact O-N 3.4Å; K316-V327 HydrophobicContact CB-CG1 4.37Å; K316-V327 HydrophobicContact CD-CG1 4.17Å; K316-V327 HydrophobicContact CG-CG1 4.32Å; K316-Y328 CarbonylContact C-O 3.56Å; K316-Y328 WeakPolarHBondContact CA-O 3.39Å; K316-E329 VanDerWaalsContact CE-OE1 3.29Å; K316-E329 WeakPolarHBondContact CE-OE1 3.23Å; K316-E329 HydrophobicContact CG-CG 4.3Å; K316-D372 IonicContact NZ-OD2 2.77Å; K316-D372 PolarHBondContact NZ-OD2 2.81Å
317	V	94.1	Very high	87.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.4	168.5	-173.6	0	0	0	0	108.9	F256 A303 F304 A305 F319 V327 Y328 F330	F256-V317 HydrophobicContact CD1-CG1 3.86Å; F256-V317 HydrophobicContact CD2-CG2 4.43Å; F256-V317 HydrophobicContact CE1-CG1 3.51Å; F256-V317 HydrophobicContact CE1-CG2 4.28Å; F256-V317 HydrophobicContact CE2-CG1 4.35Å; F256-V317 HydrophobicContact CE2-CG2 3.76Å; F256-V317 HydrophobicContact CG-CG1 4.4Å; F256-V317 HydrophobicContact CZ-CB 4.36Å; F256-V317 HydrophobicContact CZ-CG1 3.8Å; F256-V317 HydrophobicContact CZ-CG2 3.68Å; A303-V317 HydrophobicContact CB-CG1 4.47Å; F304-V317 WeakPolarHBondContact O-CA 3.38Å; F304-V317 WeakPolarHBondContact O-CG1 3.39Å; A305-V317 HydrophobicContact CB-CG2 4.24Å; V317-F319 HydrophobicContact CB-CD2 4.35Å; V317-F319 HydrophobicContact CB-CE2 3.84Å; V317-F319 HydrophobicContact CB-CZ 4.44Å; V317-F319 HydrophobicContact CG1-CD2 3.87Å; V317-F319 HydrophobicContact CG1-CE1 4.32Å; V317-F319 HydrophobicContact CG1-CE2 3.44Å; V317-F319 VanDerWaalsContact CG1-CE2 3.44Å; V317-F319 HydrophobicContact CG1-CG 4.47Å; V317-F319 HydrophobicContact CG1-CZ 3.71Å; V317-V327 WeakPolarHBondContact O-CA 3.34Å; V317-Y328 PolarHBondContact N-O 3.06Å; V317-Y328 PolarHBondContact O-N 2.71Å; V317-F330 HydrophobicContact CG2-CD2 4.2Å; V317-F330 HydrophobicContact CG2-CE2 3.37Å; V317-F330 HydrophobicContact CG2-CZ 3.91Å
318	Y	94.9	Very high	87.9	Confident	4 Å²	4	37 Å²	37	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.8	171.3	-79.2	-110.2	0	0	0	108.5	A303 F304 L306 F320 Y325 Y326 V327 D372 W387 K543	A303-Y318 CarbonylContact C-O 3.47Å; A303-Y318 WeakPolarHBondContact CA-O 3.21Å; F304-Y318 HydrophobicContact CE1-CG 4.2Å; F304-Y318 AromaticContact CE2-CD2 3.94Å; F304-Y318 HydrophobicContact CE2-CD2 3.94Å; F304-Y318 HydrophobicContact CE2-CG 4.09Å; F304-Y318 HydrophobicContact CZ-CD1 4.19Å; F304-Y318 AromaticContact CZ-CD2 3.98Å; F304-Y318 HydrophobicContact CZ-CD2 3.98Å; F304-Y318 AromaticContact CZ-CG 3.68Å; F304-Y318 HydrophobicContact CZ-CG 3.68Å; F304-Y318 PolarHBondContact N-O 3.28Å; F304-Y318 PolarHBondContact O-N 2.82Å; L306-Y318 HydrophobicContact CD1-CD2 4.24Å; L306-Y318 HydrophobicContact CD1-CE2 3.86Å; Y318-F320 HydrophobicContact CD1-CZ 4.34Å; Y318-Y325 AromaticContact CD1-CD2 3.68Å; Y318-Y325 HydrophobicContact CD1-CD2 3.68Å; Y318-Y325 AromaticContact CD1-CE2 3.72Å; Y318-Y325 HydrophobicContact CD1-CE2 3.72Å; Y318-Y325 HydrophobicContact CE1-CD2 4.02Å; Y318-Y325 AromaticContact CE1-CE2 3.54Å; Y318-Y325 HydrophobicContact CE1-CE2 3.54Å; Y318-Y326 WeakPolarHBondContact CA-O 3.44Å; Y318-V327 HydrophobicContact CD1-CG2 3.92Å; Y318-V327 HydrophobicContact CE1-CG2 3.69Å; Y318-V327 HydrophobicContact CE2-CG1 4.34Å; Y318-V327 HydrophobicContact CE2-CG2 4.3Å; Y318-V327 HydrophobicContact CG-CG2 4.35Å; Y318-D372 PolarHBondContact OH-OD1 2.96Å; Y318-W387 AromaticContact CD1-CZ2 3.79Å; Y318-W387 HydrophobicContact CD1-CZ2 3.79Å; Y318-W387 AromaticContact CE1-CZ2 3.72Å; Y318-W387 HydrophobicContact CE1-CZ2 3.72Å; Y318-K543 PolarHBondContact OH-NZ 3.06Å
319	F	97.3	Very high	88.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.1	173.7	-68.2	-89.1	0	0	0	109.7	F256 F268 F293 I296 V300 A302 A303 V317 Y325 Y326	F256-F319 HydrophobicContact CE1-CE1 4.05Å; F256-F319 AromaticContact CE1-CZ 3.81Å; F256-F319 HydrophobicContact CE1-CZ 3.81Å; F256-F319 HydrophobicContact CZ-CZ 4.42Å; F268-F319 HydrophobicContact CD1-CE1 4.23Å; F268-F319 HydrophobicContact CD2-CE1 4.47Å; F268-F319 AromaticContact CE1-CE1 3.68Å; F268-F319 HydrophobicContact CE1-CE1 3.68Å; F268-F319 HydrophobicContact CE1-CZ 4.01Å; F268-F319 AromaticContact CE2-CE1 3.98Å; F268-F319 HydrophobicContact CE2-CE1 3.98Å; F268-F319 HydrophobicContact CE2-CZ 4.42Å; F268-F319 AromaticContact CZ-CE1 3.56Å; F268-F319 HydrophobicContact CZ-CE1 3.56Å; F268-F319 AromaticContact CZ-CZ 3.72Å; F268-F319 HydrophobicContact CZ-CZ 3.72Å; F293-F319 AromaticContact CD1-CE2 3.89Å; F293-F319 HydrophobicContact CD1-CE2 3.89Å; F293-F319 AromaticContact CD1-CZ 3.77Å; F293-F319 HydrophobicContact CD1-CZ 3.77Å; F293-F319 HydrophobicContact CE1-CE2 4.21Å; F293-F319 AromaticContact CE1-CZ 3.86Å; F293-F319 HydrophobicContact CE1-CZ 3.86Å; F293-F319 HydrophobicContact CG-CZ 4.23Å; F293-F319 HydrophobicContact CZ-CZ 4.39Å; I296-F319 HydrophobicContact CD1-CB 4.49Å; I296-F319 HydrophobicContact CD1-CD2 3.66Å; I296-F319 HydrophobicContact CD1-CE2 4.21Å; I296-F319 HydrophobicContact CD1-CG 4.33Å; I296-F319 HydrophobicContact CG1-CD2 3.86Å; I296-F319 HydrophobicContact CG1-CE2 3.95Å; I296-F319 HydrophobicContact CG2-CB 4.17Å; I296-F319 HydrophobicContact CG2-CD1 3.97Å; I296-F319 HydrophobicContact CG2-CD2 3.93Å; I296-F319 HydrophobicContact CG2-CE1 4.28Å; I296-F319 HydrophobicContact CG2-CE2 4.24Å; I296-F319 HydrophobicContact CG2-CG 3.78Å; I296-F319 HydrophobicContact CG2-CZ 4.4Å; V300-F319 HydrophobicContact CB-CD1 4.34Å; V300-F319 HydrophobicContact CG1-CB 4.08Å; V300-F319 HydrophobicContact CG1-CD1 4Å; V300-F319 HydrophobicContact CG1-CG 4.43Å; V300-F319 HydrophobicContact CG2-CD1 4.18Å; A302-F319 WeakPolarHBondContact O-CA 3.2Å; A303-F319 HydrophobicContact CB-CD1 3.63Å; A303-F319 HydrophobicContact CB-CE1 3.89Å; A303-F319 HydrophobicContact CB-CG 4.33Å; V317-F319 HydrophobicContact CB-CD2 4.35Å; V317-F319 HydrophobicContact CB-CE2 3.84Å; V317-F319 HydrophobicContact CB-CZ 4.44Å; V317-F319 HydrophobicContact CG1-CD2 3.87Å; V317-F319 HydrophobicContact CG1-CE1 4.32Å; V317-F319 HydrophobicContact CG1-CE2 3.44Å; V317-F319 VanDerWaalsContact CG1-CE2 3.44Å; V317-F319 HydrophobicContact CG1-CG 4.47Å; V317-F319 HydrophobicContact CG1-CZ 3.71Å; F319-Y325 CarbonylContact O-C 3.6Å; F319-Y325 WeakPolarHBondContact O-CA 3.38Å; F319-Y325 WeakPolarHBondContact O-CB 3.44Å; F319-Y326 PolarHBondContact N-O 3.5Å; F319-Y326 PolarHBondContact O-N 3.4Å
320	F	97.4	Very high	88.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.3	-178.4	-63.1	-98	0	0	0	110.4	V300 D301 A302 F304 Y318 Y325 I383 W387 V394 F529	V300-F320 CarbonylContact C-O 3.46Å; D301-F320 PolarHBondContact N-O 3.07Å; A302-F320 HydrophobicContact CB-CB 4.15Å; A302-F320 HydrophobicContact CB-CD2 4.24Å; A302-F320 PolarHBondContact O-N 3.45Å; F304-F320 AromaticContact CD1-CE2 3.82Å; F304-F320 HydrophobicContact CD1-CE2 3.82Å; F304-F320 HydrophobicContact CD1-CZ 4.48Å; F304-F320 AromaticContact CE1-CE2 3.48Å; F304-F320 HydrophobicContact CE1-CE2 3.48Å; F304-F320 VanDerWaalsContact CE1-CE2 3.48Å; F304-F320 AromaticContact CE1-CZ 3.71Å; F304-F320 HydrophobicContact CE1-CZ 3.71Å; Y318-F320 HydrophobicContact CD1-CZ 4.34Å; F320-Y325 VanDerWaalsContact CD1-CB 3.49Å; F320-Y325 HydrophobicContact CD1-CG 4.42Å; F320-Y325 HydrophobicContact CE1-CD1 4.36Å; F320-Y325 AromaticContact CE1-CG 3.99Å; F320-Y325 HydrophobicContact CE1-CG 3.99Å; F320-Y325 HydrophobicContact CZ-CG 4.47Å; F320-I383 HydrophobicContact CD1-CD1 3.81Å; F320-I383 HydrophobicContact CD1-CG1 3.97Å; F320-I383 HydrophobicContact CE1-CG1 4.35Å; F320-W387 AromaticContact CE1-NE1 3.83Å; F320-W387 HydrophobicContact CZ-CZ2 4.19Å; F320-V394 HydrophobicContact CB-CG2 3.82Å; F320-V394 HydrophobicContact CD1-CG2 4.13Å; F320-V394 HydrophobicContact CG-CG2 3.93Å; F320-F529 HydrophobicContact CD1-CE1 4.35Å; F320-F529 HydrophobicContact CD2-CE1 4.42Å; F320-F529 AromaticContact CE1-CE1 3.76Å; F320-F529 HydrophobicContact CE1-CE1 3.76Å; F320-F529 HydrophobicContact CE1-CZ 4.24Å; F320-F529 AromaticContact CE2-CE1 3.85Å; F320-F529 HydrophobicContact CE2-CE1 3.85Å; F320-F529 HydrophobicContact CE2-CZ 4.46Å; F320-F529 AromaticContact CZ-CE1 3.51Å; F320-F529 HydrophobicContact CZ-CE1 3.51Å; F320-F529 AromaticContact CZ-CZ 3.85Å; F320-F529 HydrophobicContact CZ-CZ 3.85Å
321	K	97.4	Very high	89.5	Confident	70 Å²	70	42.7 Å²	42.7	30%	0.304	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	121.6	173.6	-170.3	175.9	-175.7	166.7	0	111.2	P297 D298 H299 D301 D323 Q324 Y326	P297-K321 HydrophobicContact CB-CD 3.96Å; P297-K321 HydrophobicContact CG-CB 4.36Å; P297-K321 HydrophobicContact CG-CD 3.74Å; D298-K321 PolarHBondContact O-NZ 2.86Å; H299-K321 WeakPolarHBondContact O-CD 3.35Å; H299-K321 WeakPolarHBondContact O-CE 3.34Å; H299-K321 PolarHBondContact O-NZ 2.61Å; D301-K321 WeakPolarHBondContact OD2-CA 3.14Å; K321-D323 PolarHBondContact O-N 3.46Å; K321-Q324 PolarHBondContact N-O 3.43Å; K321-Q324 WeakPolarHBondContact O-CA 3.23Å; K321-Q324 WeakPolarHBondContact O-CB 3.45Å; K321-Q324 PolarHBondContact O-N 2.88Å; K321-Y326 HydrophobicContact CB-CE2 4.23Å
322	G	96.7	Very high	90.1	Very high	31 Å²	31	47 Å²	47	32%	0.32	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-125	-177.8	0	0	0	0	0	111.5	D301 Q324 S392 P393	D301-G322 PolarHBondContact OD2-N 2.93Å; G322-Q324 VanDerWaalsContact C-N 3.34Å; G322-S392 WeakPolarHBondContact O-CB 3.49Å; G322-P393 VanDerWaalsContact O-CA 3.25Å; G322-P393 WeakPolarHBondContact O-CA 3.45Å
323	D	95.9	Very high	90.7	Very high	70 Å²	70	42.6 Å²	42.6	37%	0.374	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	7.4	172.1	69.7	-35.6	0	0	0	114.1	K321 F382 I383	K321-D323 PolarHBondContact O-N 3.46Å; D323-F382 WeakPolarHBondContact OD2-CD1 3.12Å; D323-F382 WeakPolarHBondContact OD2-CE1 3.4Å; D323-I383 WeakPolarHBondContact O-CG1 3.42Å; D323-I383 PolarHBondContact O-N 2.83Å
324	Q	94.9	Very high	90.9	Very high	36 Å²	36	43.4 Å²	43.4	17%	0.168	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	158.4	-174.2	-54.8	-163.5	-25.6	0	0	113.4	K321 G322 Y326 H380 H381 F382	K321-Q324 PolarHBondContact N-O 3.43Å; K321-Q324 WeakPolarHBondContact O-CA 3.23Å; K321-Q324 WeakPolarHBondContact O-CB 3.45Å; K321-Q324 PolarHBondContact O-N 2.88Å; G322-Q324 VanDerWaalsContact C-N 3.34Å; Q324-Y326 HydrophobicContact CB-CE2 4.23Å; Q324-Y326 PolarHBondContact OE1-OH 2.88Å; Q324-H380 VanDerWaalsContact CD-CD2 3.43Å; Q324-H380 PolarHBondContact NE2-CD2 3.13Å; Q324-H380 PolarHBondContact NE2-NE2 3.17Å; Q324-H380 VanDerWaalsContact NE2-NE2 3.18Å; Q324-H380 PolarHBondContact OE1-CD2 3.32Å; Q324-H381 CarbonylContact C-O 3.6Å; Q324-H381 WeakPolarHBondContact CA-O 2.94Å; Q324-H381 WeakPolarHBondContact CB-O 3.27Å; Q324-F382 HydrophobicContact CG-CD1 4.14Å; Q324-F382 HydrophobicContact CG-CE1 4Å; Q324-F382 VanDerWaalsContact NE2-CZ 3.29Å
325	Y	95.1	Very high	90.5	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	159	166.6	79.9	-93.3	0	0	0	111.9	Y318 F319 F320 V327 H381 I383 D386 W387	Y318-Y325 AromaticContact CD1-CD2 3.68Å; Y318-Y325 HydrophobicContact CD1-CD2 3.68Å; Y318-Y325 AromaticContact CD1-CE2 3.72Å; Y318-Y325 HydrophobicContact CD1-CE2 3.72Å; Y318-Y325 HydrophobicContact CE1-CD2 4.02Å; Y318-Y325 AromaticContact CE1-CE2 3.54Å; Y318-Y325 HydrophobicContact CE1-CE2 3.54Å; F319-Y325 CarbonylContact O-C 3.6Å; F319-Y325 WeakPolarHBondContact O-CA 3.38Å; F319-Y325 WeakPolarHBondContact O-CB 3.44Å; F320-Y325 VanDerWaalsContact CD1-CB 3.49Å; F320-Y325 HydrophobicContact CD1-CG 4.42Å; F320-Y325 HydrophobicContact CE1-CD1 4.36Å; F320-Y325 AromaticContact CE1-CG 3.99Å; F320-Y325 HydrophobicContact CE1-CG 3.99Å; F320-Y325 HydrophobicContact CZ-CG 4.47Å; Y325-V327 HydrophobicContact CD2-CG2 4.18Å; Y325-V327 HydrophobicContact CE2-CG2 3.85Å; Y325-H381 HydrophobicContact CD1-CB 3.66Å; Y325-H381 HydrophobicContact CD2-CB 4.12Å; Y325-H381 HydrophobicContact CE1-CB 3.25Å; Y325-H381 HydrophobicContact CE2-CB 3.74Å; Y325-H381 AromaticContact CE2-CG 3.95Å; Y325-H381 HydrophobicContact CG-CB 4.08Å; Y325-H381 AromaticContact CZ-CG 3.65Å; Y325-H381 AromaticContact CZ-ND1 3.89Å; Y325-H381 PolarHBondContact N-O 2.91Å; Y325-H381 PolarHBondContact O-N 2.98Å; Y325-H381 PolarHBondContact OH-ND1 2.8Å; Y325-I383 HydrophobicContact CD1-CG1 4.19Å; Y325-D386 HydrophobicContact CE1-CB 4.02Å; Y325-D386 PolarHBondContact OH-OD2 3.36Å; Y325-W387 AromaticContact CD1-CD1 3.67Å; Y325-W387 AromaticContact CD1-NE1 3.46Å; Y325-W387 AromaticContact CE1-CD1 3.44Å; Y325-W387 VanDerWaalsContact CE1-CD1 3.44Å; Y325-W387 AromaticContact CE1-NE1 3.24Å; Y325-W387 AromaticContact CG-NE1 3.94Å; Y325-W387 AromaticContact CZ-NE1 3.57Å
326	Y	94.4	Very high	89.6	Confident	31 Å²	31	44.4 Å²	44.4	12%	0.122	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.4	-173.1	-56.1	-104.2	0	0	0	108.4	I296 P297 Y318 F319 K321 Q324 K379 H380	I296-Y326 HydrophobicContact CD1-CG 4.32Å; P297-Y326 HydrophobicContact CG-CD2 4.16Å; P297-Y326 HydrophobicContact CG-CE1 4.34Å; P297-Y326 HydrophobicContact CG-CE2 3.68Å; Y318-Y326 WeakPolarHBondContact CA-O 3.44Å; F319-Y326 PolarHBondContact N-O 3.5Å; F319-Y326 PolarHBondContact O-N 3.4Å; K321-Y326 HydrophobicContact CB-CE2 4.23Å; Q324-Y326 HydrophobicContact CB-CE2 4.23Å; Q324-Y326 PolarHBondContact OE1-OH 2.88Å; Y326-K379 WeakPolarHBondContact CD1-O 3.32Å; Y326-H380 HydrophobicContact CD1-CB 4.06Å; Y326-H380 HydrophobicContact CE1-CB 3.63Å
327	V	92.2	Very high	88.5	Confident	52 Å²	52	50.5 Å²	50.5	32%	0.315	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.3	176.6	-174.8	0	0	0	0	109.2	K316 V317 Y318 Y325	K316-V327 HydrophobicContact CB-CG1 4.37Å; K316-V327 HydrophobicContact CD-CG1 4.17Å; K316-V327 HydrophobicContact CG-CG1 4.32Å; V317-V327 WeakPolarHBondContact O-CA 3.34Å; Y318-V327 HydrophobicContact CD1-CG2 3.92Å; Y318-V327 HydrophobicContact CE1-CG2 3.69Å; Y318-V327 HydrophobicContact CE2-CG1 4.34Å; Y318-V327 HydrophobicContact CE2-CG2 4.3Å; Y318-V327 HydrophobicContact CG-CG2 4.35Å; Y325-V327 HydrophobicContact CD2-CG2 4.18Å; Y325-V327 HydrophobicContact CE2-CG2 3.85Å
328	Y	92.1	Very high	87.6	Confident	40 Å²	40	55 Å²	55	16%	0.157	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.9	174.1	-177.2	-97.9	0	0	0	110	G292 F293 I296 K316 V317 F330	G292-Y328 PolarHBondContact O-OH 3.02Å; F293-Y328 HydrophobicContact CB-CD2 4.4Å; F293-Y328 HydrophobicContact CB-CE2 4.37Å; F293-Y328 AromaticContact CD1-CD1 3.59Å; F293-Y328 HydrophobicContact CD1-CD1 3.59Å; F293-Y328 HydrophobicContact CD1-CD2 4.07Å; F293-Y328 AromaticContact CD1-CE1 3.67Å; F293-Y328 HydrophobicContact CD1-CE1 3.67Å; F293-Y328 HydrophobicContact CD1-CE2 4.14Å; F293-Y328 AromaticContact CD1-CG 3.8Å; F293-Y328 HydrophobicContact CD1-CG 3.8Å; F293-Y328 AromaticContact CD1-CZ 3.94Å; F293-Y328 AromaticContact CE1-CD1 3.86Å; F293-Y328 HydrophobicContact CE1-CD1 3.86Å; F293-Y328 AromaticContact CE1-CE1 3.87Å; F293-Y328 HydrophobicContact CE1-CE1 3.87Å; F293-Y328 HydrophobicContact CE1-CG 4.47Å; I296-Y328 HydrophobicContact CG1-CD2 4.39Å; K316-Y328 CarbonylContact C-O 3.56Å; K316-Y328 WeakPolarHBondContact CA-O 3.39Å; V317-Y328 PolarHBondContact N-O 3.06Å; V317-Y328 PolarHBondContact O-N 2.71Å; Y328-F330 HydrophobicContact CD1-CD1 4.47Å; Y328-F330 HydrophobicContact CD1-CE1 4.5Å; Y328-F330 AromaticContact CE1-CD1 3.79Å; Y328-F330 HydrophobicContact CE1-CD1 3.79Å; Y328-F330 AromaticContact CE1-CE1 3.96Å; Y328-F330 HydrophobicContact CE1-CE1 3.96Å; Y328-F330 HydrophobicContact CE1-CG 4.26Å
329	E	89.8	Confident	86.7	Confident	85 Å²	85	55.3 Å²	55.3	40%	0.397	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.1	172.2	-56.2	-161.1	145	0	0	110.3	K314 K316 L331	K314-E329 HydrophobicContact CB-CB 4.34Å; K314-E329 HydrophobicContact CD-CB 4.05Å; K314-E329 IonicContact NZ-OE2 2.68Å; K316-E329 VanDerWaalsContact CE-OE1 3.29Å; K316-E329 WeakPolarHBondContact CE-OE1 3.23Å; K316-E329 HydrophobicContact CG-CG 4.3Å; E329-L331 PolarHBondContact O-N 2.64Å
330	F	88.8	Confident	85.4	Confident	11 Å²	11	55.7 Å²	55.7	5%	0.048	28%	0.283	C	S	.	.			trans	-69.3	120	174.3	-78.3	-72.1	0	0	0	110.8	F256 R258 Y266 F293 K314 E315 V317 Y328 H332	F256-F330 HydrophobicContact CE2-CE2 4.41Å; F256-F330 HydrophobicContact CE2-CZ 4.14Å; F256-F330 HydrophobicContact CZ-CZ 4.26Å; R258-F330 HydrophobicContact CG-CE2 3.72Å; R258-F330 HydrophobicContact CG-CZ 3.83Å; Y266-F330 HydrophobicContact CE2-CZ 4.45Å; F293-F330 HydrophobicContact CE1-CE1 4.21Å; F293-F330 HydrophobicContact CE1-CZ 4.2Å; K314-F330 WeakPolarHBondContact CD-O 3.21Å; E315-F330 HydrophobicContact CB-CB 4.43Å; E315-F330 HydrophobicContact CB-CD2 3.86Å; E315-F330 PolarHBondContact O-N 2.69Å; V317-F330 HydrophobicContact CG2-CD2 4.2Å; V317-F330 HydrophobicContact CG2-CE2 3.37Å; V317-F330 HydrophobicContact CG2-CZ 3.91Å; Y328-F330 HydrophobicContact CD1-CD1 4.47Å; Y328-F330 HydrophobicContact CD1-CE1 4.5Å; Y328-F330 AromaticContact CE1-CD1 3.79Å; Y328-F330 HydrophobicContact CE1-CD1 3.79Å; Y328-F330 AromaticContact CE1-CE1 3.96Å; Y328-F330 HydrophobicContact CE1-CE1 3.96Å; Y328-F330 HydrophobicContact CE1-CG 4.26Å; F330-H332 VanDerWaalsContact C-N 3.31Å
331	L	85.1	Confident	84.2	Confident	122 Å²	122	57.9 Å²	57.9	64%	0.639	30%	0.297	S	S	*	.	S	Bend	trans	-71.2	-25.7	176.6	-62.3	-178.4	0	0	0	113.4	E329	E329-L331 PolarHBondContact O-N 2.64Å
332	H	81.6	Confident	82.9	Confident	156 Å²	156	56.6 Å²	56.6	72%	0.722	29%	0.292	S	S	*	.			trans	-120.1	124	-178.9	-63.1	92	0	0	0	110.2	R258 F330	R258-H332 PolarHBondContact NH1-O 2.9Å; R258-H332 PolarHBondContact NH2-O 2.94Å; F330-H332 VanDerWaalsContact C-N 3.31Å
333	Q	79.9	Confident	81.6	Confident	75 Å²	75	55.7 Å²	55.7	35%	0.35	28%	0.281	S	S	.	.			trans	-115.4	151.5	173.5	-69.9	171.2	-79.4	0	0	108.8	G313	G313-Q333 PolarHBondContact O-NE2 2.89Å; G313-Q333 PolarHBondContact O-OE1 2.87Å
334	P	79.6	Confident	80.1	Confident	21 Å²	21	57.8 Å²	57.8	14%	0.136	29%	0.289	C	S	.	.			trans	-60.1	149	173.9	23.4	-32.7	0	0	0	112.1	N260 C261 Q262 E338	N260-P334 HydrophobicContact CB-CG 4.46Å; C261-P334 VanDerWaalsContact SG-CB 3.54Å; C261-P334 WeakPolarHBondContact SG-CG 3.45Å; Q262-P334 HydrophobicContact CG-CB 3.95Å; Q262-P334 HydrophobicContact CG-CG 4.19Å; P334-E338 WeakPolarHBondContact CA-OE2 3.37Å; P334-E338 HydrophobicContact CB-CB 4.28Å
335	S	75.8	Confident	79	Confident	51 Å²	51	65.3 Å²	65.3	36%	0.357	32%	0.315	S	S	.	.			trans	-72.5	165.3	172.4	90.7	0	0	0	0	111.6	E337 E338 C339	S335-E337 VanDerWaalsContact C-N 3.33Å; S335-E337 PolarHBondContact O-N 2.78Å; S335-E337 PolarHBondContact OG-N 3.02Å; S335-E338 PolarHBondContact N-OE2 3.05Å; S335-E338 PolarHBondContact O-N 2.69Å; S335-E338 WeakPolarHBondContact OG-CG 3.29Å; S335-E338 PolarHBondContact OG-N 2.8Å; S335-C339 WeakPolarHBondContact O-CB 3.3Å; S335-C339 PolarHBondContact O-N 3.02Å
336	H	67.4	Low	77.8	Confident	52 Å²	52	65.5 Å²	65.5	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-41.3	174.5	178.8	82.5	0	0	0	112.1	C339 A340 W485 W489	H336-C339 PolarHBondContact O-N 3.4Å; H336-A340 PolarHBondContact O-N 2.75Å; H336-W485 AromaticContact CE1-CE3 3.62Å; H336-W485 AromaticContact CE1-CH2 3.43Å; H336-W485 VanDerWaalsContact CE1-CH2 3.43Å; H336-W485 WeakPolarHBondContact CE1-CH2 3.42Å; H336-W485 AromaticContact CE1-CZ3 3.04Å; H336-W485 WeakPolarHBondContact CE1-CZ3 3.47Å; H336-W485 AromaticContact ND1-CH2 3.47Å; H336-W485 WeakPolarHBondContact ND1-CH2 3.47Å; H336-W485 AromaticContact ND1-CZ3 3.56Å; H336-W485 AromaticContact NE2-CZ3 3.48Å; H336-W485 WeakPolarHBondContact NE2-CZ3 3.43Å; H336-W489 WeakPolarHBondContact CE1-CB 3.29Å; H336-W489 AromaticContact CE1-CD1 3.5Å; H336-W489 AromaticContact CE1-CD2 3.57Å; H336-W489 AromaticContact CE1-CG 3.22Å; H336-W489 AromaticContact CE1-NE1 3.95Å; H336-W489 AromaticContact ND1-CD2 3.52Å; H336-W489 AromaticContact ND1-CE2 3.91Å; H336-W489 AromaticContact ND1-CE3 3.75Å; H336-W489 AromaticContact ND1-CG 3.7Å
337	E	68.6	Low	76.8	Confident	150 Å²	150	66.6 Å²	66.6	70%	0.701	33%	0.328	S	S	*	.	H	α-helix	trans	-66.6	-38.7	177.1	-176.5	179.1	-174.3	0	0	112.1	S335 T341	S335-E337 VanDerWaalsContact C-N 3.33Å; S335-E337 PolarHBondContact O-N 2.78Å; S335-E337 PolarHBondContact OG-N 3.02Å; E337-T341 WeakPolarHBondContact O-CB 3.33Å; E337-T341 PolarHBondContact O-N 2.95Å; E337-T341 VanDerWaalsContact O-N 3.1Å; E337-T341 PolarHBondContact O-OG1 3.44Å
338	E	75.6	Confident	76.2	Confident	93 Å²	93	64.2 Å²	64.2	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-42.5	170.5	-71.6	173.4	176.4	0	0	110.9	P334 S335 T341 M342	P334-E338 WeakPolarHBondContact CA-OE2 3.37Å; P334-E338 HydrophobicContact CB-CB 4.28Å; S335-E338 PolarHBondContact N-OE2 3.05Å; S335-E338 PolarHBondContact O-N 2.69Å; S335-E338 WeakPolarHBondContact OG-CG 3.29Å; S335-E338 PolarHBondContact OG-N 2.8Å; E338-T341 PolarHBondContact O-N 2.7Å; E338-M342 VanDerWaalsContact O-CB 3.28Å; E338-M342 WeakPolarHBondContact O-CB 3.32Å; E338-M342 WeakPolarHBondContact O-CG 3.34Å; E338-M342 PolarHBondContact O-N 3.18Å
339	C	75.8	Confident	75.6	Confident	11 Å²	11	64.6 Å²	64.6	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-69.3	-34.4	178.9	-78.2	0	0	0	0	114.2	C261 S335 H336 S343 W485	C261-C339 HydrophobicContact CB-CB 3.59Å; C261-C339 WeakPolarHBondContact CB-SG 3.31Å; C261-C339 WeakPolarHBondContact SG-CA 3.36Å; C261-C339 WeakPolarHBondContact SG-CB 3.44Å; C261-C339 CovalentContact SG-SG 2.04Å; C261-C339 PolarHBondContact SG-SG 2.86Å; S335-C339 WeakPolarHBondContact O-CB 3.3Å; S335-C339 PolarHBondContact O-N 3.02Å; H336-C339 PolarHBondContact O-N 3.4Å; C339-S343 VanDerWaalsContact O-CB 3.24Å; C339-S343 WeakPolarHBondContact O-CB 3.37Å; C339-S343 PolarHBondContact O-N 3.39Å; C339-S343 PolarHBondContact O-OG 2.75Å; C339-W485 HydrophobicContact CB-CH2 3.92Å; C339-W485 HydrophobicContact CB-CZ2 4.4Å
340	A	69.2	Low	75	Confident	9 Å²	9	61.3 Å²	61.3	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-58.3	168.7	0	0	0	0	0	109.8	H336 M342 S343 E344 W485	H336-A340 PolarHBondContact O-N 2.75Å; A340-M342 VanDerWaalsContact C-N 3.27Å; A340-M342 PolarHBondContact O-N 2.88Å; A340-S343 PolarHBondContact O-N 2.67Å; A340-E344 PolarHBondContact O-N 2.71Å; A340-W485 HydrophobicContact CB-CE3 4.49Å; A340-W485 HydrophobicContact CB-CZ3 3.86Å
341	T	71.3	Confident	74.6	Confident	45 Å²	45	62.1 Å²	62.1	28%	0.276	31%	0.309	S	S	.	.	H	α-helix	trans	-57.7	-36.2	-177.4	-53.8	0	0	0	0	113.1	E337 E338 R345	E337-T341 WeakPolarHBondContact O-CB 3.33Å; E337-T341 PolarHBondContact O-N 2.95Å; E337-T341 VanDerWaalsContact O-N 3.1Å; E337-T341 PolarHBondContact O-OG1 3.44Å; E338-T341 PolarHBondContact O-N 2.7Å; T341-R345 VanDerWaalsContact CG2-CZ 3.42Å; T341-R345 VanDerWaalsContact O-CD 3.32Å; T341-R345 WeakPolarHBondContact O-CD 3.1Å; T341-R345 VanDerWaalsContact O-CG 3.23Å; T341-R345 WeakPolarHBondContact O-CG 3.29Å
342	M	71.8	Confident	74.1	Confident	44 Å²	44	59.2 Å²	59.2	22%	0.217	29%	0.29	C	S	.	.	H	α-helix	trans	-77.3	-34.4	176.1	-70.9	-63.5	-72.8	0	0	112.3	E338 A340 R345 S346	E338-M342 VanDerWaalsContact O-CB 3.28Å; E338-M342 WeakPolarHBondContact O-CB 3.32Å; E338-M342 WeakPolarHBondContact O-CG 3.34Å; E338-M342 PolarHBondContact O-N 3.18Å; A340-M342 VanDerWaalsContact C-N 3.27Å; A340-M342 PolarHBondContact O-N 2.88Å; M342-R345 PolarHBondContact O-N 2.76Å; M342-S346 CarbonylContact O-C 3.54Å; M342-S346 WeakPolarHBondContact O-CA 3.4Å; M342-S346 PolarHBondContact O-N 2.71Å; M342-S346 VanDerWaalsContact O-O 3.12Å
343	S	68.4	Low	73.5	Confident	12 Å²	12	55 Å²	55	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-69.1	-38.4	178.1	-59.3	0	0	0	0	112.2	C339 A340 R345 P347	C339-S343 VanDerWaalsContact O-CB 3.24Å; C339-S343 WeakPolarHBondContact O-CB 3.37Å; C339-S343 PolarHBondContact O-N 3.39Å; C339-S343 PolarHBondContact O-OG 2.75Å; A340-S343 PolarHBondContact O-N 2.67Å; S343-R345 VanDerWaalsContact C-N 3.31Å; S343-R345 PolarHBondContact O-N 2.96Å; S343-P347 WeakPolarHBondContact O-CD 3.16Å
344	E	65.3	Low	73.2	Confident	114 Å²	114	51.9 Å²	51.9	53%	0.533	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-39.1	171.8	-71.5	-178.5	170.5	0	0	112.9	A340 D482	A340-E344 PolarHBondContact O-N 2.71Å; E344-D482 WeakPolarHBondContact CG-OD2 3.06Å
345	R	70.7	Confident	72.8	Confident	193 Å²	193	51.4 Å²	51.4	73%	0.728	25%	0.249	S	C	*	.	H	α-helix	trans	-95.2	-31.7	-170.8	-65.5	174.4	-171.5	-173.6	4.5	113.7	T341 M342 S343	T341-R345 VanDerWaalsContact CG2-CZ 3.42Å; T341-R345 VanDerWaalsContact O-CD 3.32Å; T341-R345 WeakPolarHBondContact O-CD 3.1Å; T341-R345 VanDerWaalsContact O-CG 3.23Å; T341-R345 WeakPolarHBondContact O-CG 3.29Å; M342-R345 PolarHBondContact O-N 2.76Å; S343-R345 VanDerWaalsContact C-N 3.31Å; S343-R345 PolarHBondContact O-N 2.96Å
346	S	71.4	Confident	72.3	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.063	25%	0.253	C	S	.	.	S	Bend	trans	-157.6	74.5	-168	166.2	0	0	0	0	110	K214 M342 S348	K214-S346 PolarHBondContact NZ-OG 2.77Å; M342-S346 CarbonylContact O-C 3.54Å; M342-S346 WeakPolarHBondContact O-CA 3.4Å; M342-S346 PolarHBondContact O-N 2.71Å; M342-S346 VanDerWaalsContact O-O 3.12Å; S346-S348 PolarHBondContact O-N 3.07Å
347	P	71.9	Confident	72.2	Confident	53 Å²	53	51.7 Å²	51.7	34%	0.344	25%	0.249	S	C	.	.			trans	-64.5	112.4	180	24.8	-33.4	0	0	0	111.7	S343 T349	S343-P347 WeakPolarHBondContact O-CD 3.16Å; P347-T349 PolarHBondContact O-N 3.37Å
348	S	80.9	Confident	72	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.021	22%	0.218	C	C	.	.			trans	-70.2	106.2	169.9	173.8	0	0	0	0	109.4	K214 N260 S346 L350 F351 R352	K214-S348 CarbonylContact O-C 3.49Å; N260-S348 WeakPolarHBondContact O-CB 3.47Å; N260-S348 PolarHBondContact O-OG 3.44Å; S346-S348 PolarHBondContact O-N 3.07Å; S348-L350 PolarHBondContact O-N 2.64Å; S348-F351 PolarHBondContact O-N 2.91Å; S348-F351 VanDerWaalsContact O-N 3.13Å; S348-F351 WeakPolarHBondContact OG-CB 3.39Å; S348-F351 PolarHBondContact OG-N 3.32Å; S348-R352 PolarHBondContact O-N 3.09Å
349	T	78.8	Confident	71.3	Confident	47 Å²	47	45.8 Å²	45.8	29%	0.288	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-31.3	178.7	-45.9	0	0	0	0	112.2	K214 P347 R353	K214-T349 WeakPolarHBondContact O-CA 3.06Å; K214-T349 WeakPolarHBondContact O-CB 3.33Å; K214-T349 PolarHBondContact O-N 3.45Å; K214-T349 PolarHBondContact O-OG1 3.3Å; P347-T349 PolarHBondContact O-N 3.37Å; T349-R353 WeakPolarHBondContact O-CG 3.17Å; T349-R353 PolarHBondContact O-N 3.3Å
350	L	77.5	Confident	70.5	Confident	17 Å²	17	48.9 Å²	48.9	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-41.5	174.9	-54.3	-171.8	0	0	0	111.3	Q212 L213 I259 S348	Q212-L350 HydrophobicContact CB-CD1 4.34Å; Q212-L350 HydrophobicContact CG-CD1 4.17Å; Q212-L350 HydrophobicContact CG-CD2 3.96Å; Q212-L350 VanDerWaalsContact OE1-CD2 3.23Å; L213-L350 WeakPolarHBondContact O-CD1 3.16Å; I259-L350 HydrophobicContact CG1-CB 4.49Å; I259-L350 HydrophobicContact CG2-CB 4.21Å; S348-L350 PolarHBondContact O-N 2.64Å
351	F	80.5	Confident	70.1	Confident	28 Å²	28	54.9 Å²	54.9	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-73.7	-42.9	178.4	-176.5	-120.3	0	0	0	112.6	N260 C261 S348 R353 Y354 T355	N260-F351 VanDerWaalsContact C-CG 3.44Å; N260-F351 VanDerWaalsContact CA-CD2 3.44Å; N260-F351 WeakPolarHBondContact O-CB 3.35Å; C261-F351 HydrophobicContact CB-CD1 3.78Å; C261-F351 HydrophobicContact CB-CE1 3.65Å; C261-F351 HydrophobicContact CB-CZ 4.45Å; S348-F351 PolarHBondContact O-N 2.91Å; S348-F351 VanDerWaalsContact O-N 3.13Å; S348-F351 WeakPolarHBondContact OG-CB 3.39Å; S348-F351 PolarHBondContact OG-N 3.32Å; F351-R353 PolarHBondContact O-N 3.14Å; F351-Y354 HydrophobicContact CD2-CD1 4.16Å; F351-Y354 HydrophobicContact CE2-CD1 4.16Å; F351-Y354 WeakPolarHBondContact O-CA 3.47Å; F351-Y354 WeakPolarHBondContact O-CB 3.49Å; F351-Y354 PolarHBondContact O-N 3.18Å; F351-T355 HydrophobicContact CD1-CG2 4.14Å; F351-T355 HydrophobicContact CD2-CG2 4.1Å; F351-T355 HydrophobicContact CE1-CG2 3.69Å; F351-T355 HydrophobicContact CE2-CG2 3.68Å; F351-T355 HydrophobicContact CG-CG2 4.34Å; F351-T355 HydrophobicContact CZ-CG2 3.46Å; F351-T355 VanDerWaalsContact CZ-CG2 3.46Å; F351-T355 PolarHBondContact O-N 2.65Å; F351-T355 PolarHBondContact O-OG1 2.89Å
352	R	73.8	Confident	69.8	Low	61 Å²	61	54.6 Å²	54.6	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-49.2	178.1	-76.3	-179.1	77.3	155.9	-3.9	111.1	S348 Y354 T355 D356 D478	S348-R352 PolarHBondContact O-N 3.09Å; R352-Y354 VanDerWaalsContact C-N 3.25Å; R352-Y354 PolarHBondContact O-N 3.14Å; R352-Y354 VanDerWaalsContact O-N 3.17Å; R352-T355 WeakPolarHBondContact CA-OG1 3.25Å; R352-T355 PolarHBondContact O-N 3.35Å; R352-T355 PolarHBondContact O-OG1 3.09Å; R352-D356 WeakPolarHBondContact O-CB 3.48Å; R352-D356 PolarHBondContact O-N 3.31Å; R352-D356 VanDerWaalsContact O-OD2 3.05Å; R352-D478 IonicContact CZ-OD1 2.73Å; R352-D478 IonicContact NH1-OD1 3.64Å; R352-D478 PolarHBondContact NH1-OD1 2.91Å; R352-D478 IonicContact NH2-OD1 2.67Å; R352-D478 PolarHBondContact NH2-OD1 3.04Å; R352-D478 VanDerWaalsContact NH2-OD1 3.07Å
353	R	70.1	Confident	69.6	Low	68 Å²	68	56.3 Å²	56.3	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-53.7	-39.8	174.2	-72.4	-175.7	-167.8	119	12.2	113.6	T349 F351 L357 R401	T349-R353 WeakPolarHBondContact O-CG 3.17Å; T349-R353 PolarHBondContact O-N 3.3Å; F351-R353 PolarHBondContact O-N 3.14Å; R353-L357 WeakPolarHBondContact O-CD1 3.28Å; R353-L357 VanDerWaalsContact O-CG 3.26Å; R353-L357 WeakPolarHBondContact O-CG 3.21Å; R353-L357 PolarHBondContact O-N 3.26Å; R353-R401 VanDerWaalsContact CZ-CZ 3.41Å; R353-R401 VanDerWaalsContact CZ-NH1 3.31Å
354	Y	73.3	Confident	69.5	Low	9 Å²	9	64 Å²	64	4%	0.035	30%	0.298	C	S	.	.	H	α-helix	trans	-69.5	-44.6	176.6	167.3	-98.9	0	0	0	111.9	P307 A308 F351 R352 Y358 F366 Y370 I402	P307-Y354 HydrophobicContact CB-CD1 3.97Å; P307-Y354 HydrophobicContact CB-CD2 3.87Å; P307-Y354 HydrophobicContact CB-CE1 4.06Å; P307-Y354 HydrophobicContact CB-CE2 3.95Å; P307-Y354 HydrophobicContact CB-CG 3.88Å; P307-Y354 HydrophobicContact CG-CD2 3.58Å; P307-Y354 HydrophobicContact CG-CE2 3.77Å; P307-Y354 HydrophobicContact CG-CG 4.02Å; A308-Y354 VanDerWaalsContact O-CZ 3.3Å; A308-Y354 PolarHBondContact O-OH 3.07Å; F351-Y354 HydrophobicContact CD2-CD1 4.16Å; F351-Y354 HydrophobicContact CE2-CD1 4.16Å; F351-Y354 WeakPolarHBondContact O-CA 3.47Å; F351-Y354 WeakPolarHBondContact O-CB 3.49Å; F351-Y354 PolarHBondContact O-N 3.18Å; R352-Y354 VanDerWaalsContact C-N 3.25Å; R352-Y354 PolarHBondContact O-N 3.14Å; R352-Y354 VanDerWaalsContact O-N 3.17Å; Y354-Y358 HydrophobicContact CE1-CD2 4.18Å; Y354-Y358 HydrophobicContact CE2-CD2 4.33Å; Y354-Y358 AromaticContact CZ-CD2 3.7Å; Y354-Y358 PolarHBondContact O-N 3.36Å; Y354-Y358 VanDerWaalsContact OH-CD2 3.29Å; Y354-Y358 WeakPolarHBondContact OH-CD2 3.28Å; Y354-Y358 VanDerWaalsContact OH-CE2 3.28Å; Y354-Y358 WeakPolarHBondContact OH-CE2 3.46Å; Y354-F366 HydrophobicContact CD2-CD1 4.32Å; Y354-F366 AromaticContact CD2-CE1 3.98Å; Y354-F366 HydrophobicContact CD2-CE1 3.98Å; Y354-F366 HydrophobicContact CD2-CE2 4.24Å; Y354-F366 AromaticContact CD2-CZ 3.92Å; Y354-F366 HydrophobicContact CD2-CZ 3.92Å; Y354-F366 AromaticContact CE2-CD1 3.9Å; Y354-F366 HydrophobicContact CE2-CD1 3.9Å; Y354-F366 AromaticContact CE2-CD2 3.91Å; Y354-F366 HydrophobicContact CE2-CD2 3.91Å; Y354-F366 HydrophobicContact CE2-CE1 4Å; Y354-F366 HydrophobicContact CE2-CE2 4Å; Y354-F366 AromaticContact CE2-CG 3.86Å; Y354-F366 HydrophobicContact CE2-CG 3.86Å; Y354-F366 HydrophobicContact CE2-CZ 4.05Å; Y354-Y370 HydrophobicContact CD2-CE2 4.47Å; Y354-Y370 HydrophobicContact CE2-CE2 4.02Å; Y354-I402 HydrophobicContact CD2-CD1 3.98Å
355	T	71.3	Confident	69.8	Low	10 Å²	10	60.8 Å²	60.8	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-69.2	-37.2	179.1	53.4	0	0	0	0	113.2	F351 R352 L357 Y358 Y359	F351-T355 HydrophobicContact CD1-CG2 4.14Å; F351-T355 HydrophobicContact CD2-CG2 4.1Å; F351-T355 HydrophobicContact CE1-CG2 3.69Å; F351-T355 HydrophobicContact CE2-CG2 3.68Å; F351-T355 HydrophobicContact CG-CG2 4.34Å; F351-T355 HydrophobicContact CZ-CG2 3.46Å; F351-T355 VanDerWaalsContact CZ-CG2 3.46Å; F351-T355 PolarHBondContact O-N 2.65Å; F351-T355 PolarHBondContact O-OG1 2.89Å; R352-T355 WeakPolarHBondContact CA-OG1 3.25Å; R352-T355 PolarHBondContact O-N 3.35Å; R352-T355 PolarHBondContact O-OG1 3.09Å; T355-L357 VanDerWaalsContact C-N 3.29Å; T355-L357 PolarHBondContact O-N 2.83Å; T355-Y358 WeakPolarHBondContact O-CA 3.47Å; T355-Y358 WeakPolarHBondContact O-CB 3.49Å; T355-Y358 PolarHBondContact O-N 2.86Å; T355-Y359 WeakPolarHBondContact O-CD2 3.38Å; T355-Y359 PolarHBondContact O-N 2.98Å
356	D	65.8	Low	70	Confident	81 Å²	81	51.6 Å²	51.6	43%	0.433	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-38.1	-179.8	-59.5	-22.3	0	0	0	110.8	R352 S360	R352-D356 WeakPolarHBondContact O-CB 3.48Å; R352-D356 PolarHBondContact O-N 3.31Å; R352-D356 VanDerWaalsContact O-OD2 3.05Å; D356-S360 PolarHBondContact O-N 2.83Å; D356-S360 PolarHBondContact O-OG 2.64Å; D356-S360 VanDerWaalsContact O-OG 3.07Å
357	L	64.9	Low	69.9	Low	29 Å²	29	53.6 Å²	53.6	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-39.5	170	-67.8	171	0	0	0	112	R353 T355 Y359 S360 Y362 F366 I402 I404	R353-L357 WeakPolarHBondContact O-CD1 3.28Å; R353-L357 VanDerWaalsContact O-CG 3.26Å; R353-L357 WeakPolarHBondContact O-CG 3.21Å; R353-L357 PolarHBondContact O-N 3.26Å; T355-L357 VanDerWaalsContact C-N 3.29Å; T355-L357 PolarHBondContact O-N 2.83Å; L357-Y359 PolarHBondContact O-N 3.37Å; L357-S360 WeakPolarHBondContact O-CB 3.49Å; L357-S360 PolarHBondContact O-N 2.82Å; L357-S360 VanDerWaalsContact O-N 3.09Å; L357-Y362 WeakPolarHBondContact O-CD2 3.32Å; L357-F366 HydrophobicContact CB-CE2 3.91Å; L357-F366 HydrophobicContact CB-CZ 3.62Å; L357-F366 HydrophobicContact CD1-CZ 4.1Å; L357-I402 HydrophobicContact CD1-CB 3.8Å; L357-I402 HydrophobicContact CD1-CD1 4.31Å; L357-I402 HydrophobicContact CD1-CG2 3.54Å; L357-I404 HydrophobicContact CD2-CD1 3.5Å; L357-I404 VanDerWaalsContact CD2-CD1 3.5Å; L357-I404 HydrophobicContact CD2-CG1 3.9Å
358	Y	64.8	Low	69.9	Low	15 Å²	15	55 Å²	55	6%	0.059	26%	0.263	C	S	.	.	I	π-helix	trans	-61.4	-45.2	178.5	-154.8	-71.6	0	0	0	111.9	S310 H311 Y354 T355 S360 N361 E363 F366	S310-Y358 WeakPolarHBondContact CA-OH 3.48Å; S310-Y358 WeakPolarHBondContact CB-OH 3.24Å; H311-Y358 AromaticContact CD2-CE1 3.87Å; H311-Y358 AromaticContact CE1-CD1 3.33Å; H311-Y358 WeakPolarHBondContact CE1-CD1 3.38Å; H311-Y358 AromaticContact CE1-CE1 3.14Å; H311-Y358 WeakPolarHBondContact CE1-CE1 3.38Å; H311-Y358 AromaticContact CE1-CG 3.87Å; H311-Y358 AromaticContact CE1-CZ 3.48Å; H311-Y358 VanDerWaalsContact CE1-CZ 3.48Å; H311-Y358 AromaticContact CG-CZ 3.91Å; H311-Y358 PolarHBondContact N-OH 3.35Å; H311-Y358 AromaticContact ND1-CE1 3.61Å; H311-Y358 AromaticContact ND1-CE2 3.92Å; H311-Y358 AromaticContact ND1-CZ 3.44Å; H311-Y358 AromaticContact NE2-CD1 3.68Å; H311-Y358 AromaticContact NE2-CE1 3.31Å; H311-Y358 VanDerWaalsContact NE2-CE1 3.31Å; H311-Y358 WeakPolarHBondContact NE2-CE1 3.45Å; H311-Y358 AromaticContact NE2-CZ 3.95Å; Y354-Y358 HydrophobicContact CE1-CD2 4.18Å; Y354-Y358 HydrophobicContact CE2-CD2 4.33Å; Y354-Y358 AromaticContact CZ-CD2 3.7Å; Y354-Y358 PolarHBondContact O-N 3.36Å; Y354-Y358 VanDerWaalsContact OH-CD2 3.29Å; Y354-Y358 WeakPolarHBondContact OH-CD2 3.28Å; Y354-Y358 VanDerWaalsContact OH-CE2 3.28Å; Y354-Y358 WeakPolarHBondContact OH-CE2 3.46Å; T355-Y358 WeakPolarHBondContact O-CA 3.47Å; T355-Y358 WeakPolarHBondContact O-CB 3.49Å; T355-Y358 PolarHBondContact O-N 2.86Å; Y358-S360 PolarHBondContact O-N 3.1Å; Y358-N361 PolarHBondContact O-N 3.26Å; Y358-E363 HydrophobicContact CD1-CB 4.44Å; Y358-E363 HydrophobicContact CE1-CB 3.87Å; Y358-E363 HydrophobicContact CE1-CG 4.06Å; Y358-E363 HydrophobicContact CE2-CB 4.37Å; Y358-E363 HydrophobicContact CE2-CG 4.29Å; Y358-E363 WeakPolarHBondContact OH-CG 3.28Å; Y358-E363 PolarHBondContact OH-OE1 2.85Å; Y358-F366 AromaticContact CD2-CD2 3.82Å; Y358-F366 HydrophobicContact CD2-CD2 3.82Å; Y358-F366 HydrophobicContact CD2-CE2 4.26Å; Y358-F366 HydrophobicContact CE2-CD2 4.49Å; Y358-F366 HydrophobicContact CG-CD2 4.47Å
359	Y	60	Low	69.6	Low	104 Å²	104	55.3 Å²	55.3	41%	0.408	27%	0.265	S	S	.	.	I	π-helix	trans	-57.2	-27.5	173.9	-86.3	-64.5	0	0	0	113.7	T355 L357 N361 W485 W489	T355-Y359 WeakPolarHBondContact O-CD2 3.38Å; T355-Y359 PolarHBondContact O-N 2.98Å; L357-Y359 PolarHBondContact O-N 3.37Å; Y359-N361 PolarHBondContact O-N 2.85Å; Y359-N361 VanDerWaalsContact O-N 3.14Å; Y359-W485 AromaticContact CE2-CD1 3.54Å; Y359-W485 AromaticContact CE2-NE1 3.85Å; Y359-W485 AromaticContact CZ-CD1 3.72Å; Y359-W485 VanDerWaalsContact OH-CG 3.3Å; Y359-W485 PolarHBondContact OH-NE1 2.81Å; Y359-W489 AromaticContact CZ-NE1 3.74Å; Y359-W489 PolarHBondContact OH-NE1 3.05Å
360	S	58.6	Low	69.4	Low	76 Å²	76	53.6 Å²	53.6	53%	0.531	25%	0.253	S	S	.	.	I	π-helix	trans	-80.5	19.1	177.2	-55.7	0	0	0	0	112.8	D356 L357 Y358 Y362	D356-S360 PolarHBondContact O-N 2.83Å; D356-S360 PolarHBondContact O-OG 2.64Å; D356-S360 VanDerWaalsContact O-OG 3.07Å; L357-S360 WeakPolarHBondContact O-CB 3.49Å; L357-S360 PolarHBondContact O-N 2.82Å; L357-S360 VanDerWaalsContact O-N 3.09Å; Y358-S360 PolarHBondContact O-N 3.1Å; S360-Y362 VanDerWaalsContact C-N 3.35Å; S360-Y362 VanDerWaalsContact O-CD2 3.26Å; S360-Y362 WeakPolarHBondContact O-CD2 3.28Å; S360-Y362 WeakPolarHBondContact O-CE2 3.19Å; S360-Y362 PolarHBondContact O-N 2.73Å
361	N	62.2	Low	68.7	Low	134 Å²	134	55.9 Å²	55.9	72%	0.717	27%	0.27	S	S	*	.	I	π-helix	trans	65.1	26.8	178	-159.5	23.2	0	0	0	115	Y358 Y359 E363	Y358-N361 PolarHBondContact O-N 3.26Å; Y359-N361 PolarHBondContact O-N 2.85Å; Y359-N361 VanDerWaalsContact O-N 3.14Å; N361-E363 VanDerWaalsContact C-N 3.28Å; N361-E363 PolarHBondContact O-N 2.9Å
362	Y	64.4	Low	67.9	Low	39 Å²	39	57.3 Å²	57.3	15%	0.153	28%	0.279	C	S	.	.	I	π-helix	trans	-84.8	9.4	177.8	-70.7	-88.3	0	0	0	114.5	L357 S360 R364 F365 F366 I404 E521 P523	L357-Y362 WeakPolarHBondContact O-CD2 3.32Å; S360-Y362 VanDerWaalsContact C-N 3.35Å; S360-Y362 VanDerWaalsContact O-CD2 3.26Å; S360-Y362 WeakPolarHBondContact O-CD2 3.28Å; S360-Y362 WeakPolarHBondContact O-CE2 3.19Å; S360-Y362 PolarHBondContact O-N 2.73Å; Y362-R364 VanDerWaalsContact C-N 3.29Å; Y362-R364 PolarHBondContact O-N 2.64Å; Y362-F365 AromaticContact CD1-CD2 3.5Å; Y362-F365 HydrophobicContact CD1-CD2 3.5Å; Y362-F365 VanDerWaalsContact CD1-CD2 3.5Å; Y362-F365 AromaticContact CD1-CE2 3.89Å; Y362-F365 HydrophobicContact CD1-CE2 3.89Å; Y362-F365 HydrophobicContact CD1-CG 4.26Å; Y362-F365 HydrophobicContact CE1-CD2 4.3Å; Y362-F365 HydrophobicContact CE1-CE2 4.29Å; Y362-F365 HydrophobicContact CG-CD2 4.26Å; Y362-F365 WeakPolarHBondContact O-CA 3.45Å; Y362-F365 WeakPolarHBondContact O-CB 3.32Å; Y362-F365 PolarHBondContact O-N 2.92Å; Y362-F366 PolarHBondContact O-N 2.93Å; Y362-I404 HydrophobicContact CD2-CD1 4.28Å; Y362-I404 HydrophobicContact CE1-CD1 4.11Å; Y362-I404 HydrophobicContact CE2-CD1 3.68Å; Y362-E521 VanDerWaalsContact CE1-O 3.31Å; Y362-E521 WeakPolarHBondContact CE1-O 3.22Å; Y362-P523 HydrophobicContact CD1-CG 4.12Å
363	E	67.4	Low	66.5	Low	80 Å²	80	62.1 Å²	62.1	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-49.4	-44.4	179.9	176.2	171.9	-147.1	0	0	113.2	Y358 N361 F365 F366 S367	Y358-E363 HydrophobicContact CD1-CB 4.44Å; Y358-E363 HydrophobicContact CE1-CB 3.87Å; Y358-E363 HydrophobicContact CE1-CG 4.06Å; Y358-E363 HydrophobicContact CE2-CB 4.37Å; Y358-E363 HydrophobicContact CE2-CG 4.29Å; Y358-E363 WeakPolarHBondContact OH-CG 3.28Å; Y358-E363 PolarHBondContact OH-OE1 2.85Å; N361-E363 VanDerWaalsContact C-N 3.28Å; N361-E363 PolarHBondContact O-N 2.9Å; E363-F365 VanDerWaalsContact C-N 3.25Å; E363-F365 PolarHBondContact O-N 2.73Å; E363-F366 PolarHBondContact O-N 2.97Å; E363-F366 VanDerWaalsContact O-N 3.14Å; E363-S367 PolarHBondContact O-N 3.11Å
364	R	66.4	Low	65.6	Low	175 Å²	175	63.2 Å²	63.2	66%	0.66	33%	0.325	S	S	*	.	H	α-helix	trans	-58.9	-37.8	176.8	-178.5	177.1	169.7	-164.9	-6.5	111.9	Y362 S367 E368	Y362-R364 VanDerWaalsContact C-N 3.29Å; Y362-R364 PolarHBondContact O-N 2.64Å; R364-S367 PolarHBondContact O-N 2.98Å; R364-S367 PolarHBondContact O-OG 3.33Å; R364-E368 PolarHBondContact O-N 2.89Å
365	F	71.3	Confident	64.2	Low	45 Å²	45	71.2 Å²	71.2	20%	0.197	36%	0.363	C	S	.	.	H	α-helix	trans	-77.4	-29.3	178.2	-56.1	-82.1	0	0	0	112.4	Y362 E363 E368 L369 M522 P523	Y362-F365 AromaticContact CD1-CD2 3.5Å; Y362-F365 HydrophobicContact CD1-CD2 3.5Å; Y362-F365 VanDerWaalsContact CD1-CD2 3.5Å; Y362-F365 AromaticContact CD1-CE2 3.89Å; Y362-F365 HydrophobicContact CD1-CE2 3.89Å; Y362-F365 HydrophobicContact CD1-CG 4.26Å; Y362-F365 HydrophobicContact CE1-CD2 4.3Å; Y362-F365 HydrophobicContact CE1-CE2 4.29Å; Y362-F365 HydrophobicContact CG-CD2 4.26Å; Y362-F365 WeakPolarHBondContact O-CA 3.45Å; Y362-F365 WeakPolarHBondContact O-CB 3.32Å; Y362-F365 PolarHBondContact O-N 2.92Å; E363-F365 VanDerWaalsContact C-N 3.25Å; E363-F365 PolarHBondContact O-N 2.73Å; F365-E368 PolarHBondContact O-N 2.67Å; F365-L369 WeakPolarHBondContact O-CB 3.36Å; F365-L369 PolarHBondContact O-N 3.43Å; F365-M522 HydrophobicContact CD1-CB 4.48Å; F365-M522 HydrophobicContact CD1-CG 3.94Å; F365-M522 HydrophobicContact CE1-CG 3.77Å; F365-P523 HydrophobicContact CB-CG 3.67Å; F365-P523 HydrophobicContact CG-CG 4.44Å
366	F	74.2	Confident	62.7	Low	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-69.2	-35	168.1	-70	-50	0	0	0	112.4	Y354 L357 Y358 Y362 E363 E368 L369 Y370 I402	Y354-F366 HydrophobicContact CD2-CD1 4.32Å; Y354-F366 AromaticContact CD2-CE1 3.98Å; Y354-F366 HydrophobicContact CD2-CE1 3.98Å; Y354-F366 HydrophobicContact CD2-CE2 4.24Å; Y354-F366 AromaticContact CD2-CZ 3.92Å; Y354-F366 HydrophobicContact CD2-CZ 3.92Å; Y354-F366 AromaticContact CE2-CD1 3.9Å; Y354-F366 HydrophobicContact CE2-CD1 3.9Å; Y354-F366 AromaticContact CE2-CD2 3.91Å; Y354-F366 HydrophobicContact CE2-CD2 3.91Å; Y354-F366 HydrophobicContact CE2-CE1 4Å; Y354-F366 HydrophobicContact CE2-CE2 4Å; Y354-F366 AromaticContact CE2-CG 3.86Å; Y354-F366 HydrophobicContact CE2-CG 3.86Å; Y354-F366 HydrophobicContact CE2-CZ 4.05Å; L357-F366 HydrophobicContact CB-CE2 3.91Å; L357-F366 HydrophobicContact CB-CZ 3.62Å; L357-F366 HydrophobicContact CD1-CZ 4.1Å; Y358-F366 AromaticContact CD2-CD2 3.82Å; Y358-F366 HydrophobicContact CD2-CD2 3.82Å; Y358-F366 HydrophobicContact CD2-CE2 4.26Å; Y358-F366 HydrophobicContact CE2-CD2 4.49Å; Y358-F366 HydrophobicContact CG-CD2 4.47Å; Y362-F366 PolarHBondContact O-N 2.93Å; E363-F366 PolarHBondContact O-N 2.97Å; E363-F366 VanDerWaalsContact O-N 3.14Å; F366-E368 VanDerWaalsContact C-N 3.3Å; F366-E368 PolarHBondContact O-N 2.99Å; F366-L369 HydrophobicContact CD1-CD2 4.35Å; F366-Y370 HydrophobicContact CB-CD2 4.11Å; F366-Y370 HydrophobicContact CB-CE2 4.26Å; F366-Y370 HydrophobicContact CD1-CD2 4.1Å; F366-Y370 AromaticContact CD1-CE2 3.44Å; F366-Y370 HydrophobicContact CD1-CE2 3.44Å; F366-Y370 VanDerWaalsContact CD1-CE2 3.44Å; F366-Y370 HydrophobicContact CE1-CE2 4.14Å; F366-Y370 HydrophobicContact CG-CE2 4.18Å; F366-Y370 WeakPolarHBondContact O-CB 3.45Å; F366-Y370 WeakPolarHBondContact O-CD2 3.38Å; F366-Y370 PolarHBondContact O-N 3.23Å; F366-I402 HydrophobicContact CE1-CD1 3.95Å; F366-I402 HydrophobicContact CE1-CG2 4.16Å; F366-I402 HydrophobicContact CZ-CD1 4.35Å
367	S	70.2	Confident	61.8	Low	51 Å²	51	80.1 Å²	80.1	36%	0.357	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-38	168.5	87	0	0	0	0	111.3	E363 R364 S371	E363-S367 PolarHBondContact O-N 3.11Å; R364-S367 PolarHBondContact O-N 2.98Å; R364-S367 PolarHBondContact O-OG 3.33Å; S367-S371 WeakPolarHBondContact O-CA 3.46Å; S367-S371 WeakPolarHBondContact O-CB 3.36Å; S367-S371 PolarHBondContact O-N 2.93Å; S367-S371 PolarHBondContact O-OG 2.99Å
368	E	71.5	Confident	61.3	Low	82 Å²	82	83.4 Å²	83.4	38%	0.383	42%	0.418	S	S	.	.	H	α-helix	trans	-69.1	-53.9	175.2	-168.7	178.7	124.7	0	0	112.2	R364 F365 F366 Y370 S371 R541	R364-E368 PolarHBondContact O-N 2.89Å; F365-E368 PolarHBondContact O-N 2.67Å; F366-E368 VanDerWaalsContact C-N 3.3Å; F366-E368 PolarHBondContact O-N 2.99Å; E368-Y370 VanDerWaalsContact C-N 3.29Å; E368-Y370 PolarHBondContact O-N 2.81Å; E368-S371 PolarHBondContact O-N 2.97Å; E368-S371 PolarHBondContact O-OG 3.34Å; E368-R541 VanDerWaalsContact OE1-CD 3.24Å; E368-R541 WeakPolarHBondContact OE1-CD 3.26Å; E368-R541 IonicContact OE1-NH1 3.47Å; E368-R541 PolarHBondContact OE1-NH1 2.98Å
369	L	74.8	Confident	61.5	Low	10 Å²	10	90.5 Å²	90.5	5%	0.052	45%	0.449	C	S	.	.	H	α-helix	trans	-61.5	-30.8	-176.4	-179.5	61.8	0	0	0	113.8	F365 F366 Q525 L540 R541	F365-L369 WeakPolarHBondContact O-CB 3.36Å; F365-L369 PolarHBondContact O-N 3.43Å; F366-L369 HydrophobicContact CD1-CD2 4.35Å; L369-Q525 HydrophobicContact CD1-CB 4.48Å; L369-Q525 HydrophobicContact CD2-CB 4.08Å; L369-L540 HydrophobicContact CD1-CB 4.1Å; L369-L540 HydrophobicContact CD1-CD2 4.35Å; L369-L540 HydrophobicContact CD1-CG 4.33Å; L369-L540 HydrophobicContact CG-CD2 4.49Å; L369-R541 HydrophobicContact CD1-CB 3.87Å
370	Y	74.9	Confident	62.4	Low	12 Å²	12	88.6 Å²	88.6	5%	0.047	44%	0.444	C	S	.	.	H	α-helix	trans	-116.3	7	-178	-52.5	-48.8	0	0	0	114.2	L306 P307 H309 Y354 F366 E368 I402 Q525 L540	L306-Y370 HydrophobicContact CD1-CD1 4.08Å; L306-Y370 HydrophobicContact CD1-CE1 4.44Å; L306-Y370 HydrophobicContact CD2-CE1 4.14Å; P307-Y370 HydrophobicContact CG-CD2 4.47Å; P307-Y370 HydrophobicContact CG-CE2 3.63Å; H309-Y370 HydrophobicContact CB-CD2 4.46Å; Y354-Y370 HydrophobicContact CD2-CE2 4.47Å; Y354-Y370 HydrophobicContact CE2-CE2 4.02Å; F366-Y370 HydrophobicContact CB-CD2 4.11Å; F366-Y370 HydrophobicContact CB-CE2 4.26Å; F366-Y370 HydrophobicContact CD1-CD2 4.1Å; F366-Y370 AromaticContact CD1-CE2 3.44Å; F366-Y370 HydrophobicContact CD1-CE2 3.44Å; F366-Y370 VanDerWaalsContact CD1-CE2 3.44Å; F366-Y370 HydrophobicContact CE1-CE2 4.14Å; F366-Y370 HydrophobicContact CG-CE2 4.18Å; F366-Y370 WeakPolarHBondContact O-CB 3.45Å; F366-Y370 WeakPolarHBondContact O-CD2 3.38Å; F366-Y370 PolarHBondContact O-N 3.23Å; E368-Y370 VanDerWaalsContact C-N 3.29Å; E368-Y370 PolarHBondContact O-N 2.81Å; Y370-I402 WeakPolarHBondContact OH-CD1 3.43Å; Y370-Q525 VanDerWaalsContact CE1-OE1 3.29Å; Y370-Q525 PolarHBondContact OH-OE1 3.09Å; Y370-L540 HydrophobicContact CD1-CD2 3.89Å; Y370-L540 HydrophobicContact CE1-CD2 3.61Å
371	S	62.2	Low	63.9	Low	64 Å²	64	87.2 Å²	87.2	45%	0.448	43%	0.429	S	S	.	.			trans	-73.8	141.6	167.7	59.3	0	0	0	0	110.9	S367 E368	S367-S371 WeakPolarHBondContact O-CA 3.46Å; S367-S371 WeakPolarHBondContact O-CB 3.36Å; S367-S371 PolarHBondContact O-N 2.93Å; S367-S371 PolarHBondContact O-OG 2.99Å; E368-S371 PolarHBondContact O-N 2.97Å; E368-S371 PolarHBondContact O-OG 3.34Å
372	D	63.1	Low	65.4	Low	58 Å²	58	84.4 Å²	84.4	31%	0.31	41%	0.41	S	S	.	.			trans	-107.1	132.5	167.2	-69.8	-63.6	0	0	0	108.6	K316 Y318 K543	K316-D372 IonicContact NZ-OD2 2.77Å; K316-D372 PolarHBondContact NZ-OD2 2.81Å; Y318-D372 PolarHBondContact OH-OD1 2.96Å; D372-K543 IonicContact OD1-NZ 3.07Å; D372-K543 PolarHBondContact OD1-NZ 3.46Å
373	L	46.1	Very low	66.7	Low	162 Å²	162	82.5 Å²	82.5	85%	0.848	40%	0.403	S	S	*	.			trans	-134.6	137.8	167.5	-74.9	176.6	0	0	0	110.2
374	P	49.4	Very low	67.8	Low	91 Å²	91	83.2 Å²	83.2	59%	0.591	41%	0.409	S	S	*	.	S	Bend	cis	-101.3	167.6	-8.7	36.8	-28	0	0	0	113.1	H376	P374-H376 PolarHBondContact O-N 2.83Å; P374-H376 VanDerWaalsContact O-N 3.1Å
375	Q	44.2	Very low	68.9	Low	178 Å²	178	79.8 Å²	79.8	83%	0.832	40%	0.399	S	S	*	.			trans	-62.9	105.4	175	-65.3	165.1	-11.4	0	0	111.5
376	H	41.2	Very low	69.8	Low	92 Å²	92	79.6 Å²	79.6	43%	0.426	40%	0.4	S	S	.	.			trans	-105	129.4	161.4	-81.2	-90.4	0	0	0	108.7	P374 D378	P374-H376 PolarHBondContact O-N 2.83Å; P374-H376 VanDerWaalsContact O-N 3.1Å; H376-D378 IonicContact CG-OD2 3.97Å; H376-D378 IonicContact ND1-OD2 3.64Å; H376-D378 PolarHBondContact O-N 3.19Å; H376-D378 VanDerWaalsContact O-N 3.13Å
377	H	46.5	Very low	70.6	Confident	185 Å²	185	79.6 Å²	79.6	86%	0.856	40%	0.4	S	S	*	.			trans	-79.8	18.6	178.6	-65.3	-66.4	0	0	0	113.3
378	D	54.2	Low	71.6	Confident	99 Å²	99	81.1 Å²	81.1	53%	0.529	40%	0.4	S	S	.	.			trans	-75.7	142.2	179.8	-64.5	-53.5	0	0	0	110.3	H376 H380	H376-D378 IonicContact CG-OD2 3.97Å; H376-D378 IonicContact ND1-OD2 3.64Å; H376-D378 PolarHBondContact O-N 3.19Å; H376-D378 VanDerWaalsContact O-N 3.13Å; D378-H380 PolarHBondContact O-N 3.36Å
379	K	68.6	Low	72.5	Confident	163 Å²	163	79.8 Å²	79.8	71%	0.709	41%	0.409	S	S	*	.	S	Bend	trans	-71.6	-9.2	-176.3	-66.3	-176.7	179.4	-178.8	0	113.9	Y326	Y326-K379 WeakPolarHBondContact CD1-O 3.32Å
380	H	80.1	Confident	73.4	Confident	65 Å²	65	79.9 Å²	79.9	30%	0.301	41%	0.409	S	S	.	.			trans	-155.3	156.4	-175.5	56.8	-99.4	0	0	0	109.8	Q324 Y326 D378 F382	Q324-H380 VanDerWaalsContact CD-CD2 3.43Å; Q324-H380 PolarHBondContact NE2-CD2 3.13Å; Q324-H380 PolarHBondContact NE2-NE2 3.17Å; Q324-H380 VanDerWaalsContact NE2-NE2 3.18Å; Q324-H380 PolarHBondContact OE1-CD2 3.32Å; Y326-H380 HydrophobicContact CD1-CB 4.06Å; Y326-H380 HydrophobicContact CE1-CB 3.63Å; D378-H380 PolarHBondContact O-N 3.36Å; H380-F382 AromaticContact CD2-CE2 3.97Å; H380-F382 AromaticContact NE2-CE2 3.94Å
381	H	89.3	Confident	74.3	Confident	47 Å²	47	85.5 Å²	85.5	22%	0.218	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.5	173.8	-72.9	-114.1	0	0	0	109.9	Q324 Y325 D386	Q324-H381 CarbonylContact C-O 3.6Å; Q324-H381 WeakPolarHBondContact CA-O 2.94Å; Q324-H381 WeakPolarHBondContact CB-O 3.27Å; Y325-H381 HydrophobicContact CD1-CB 3.66Å; Y325-H381 HydrophobicContact CD2-CB 4.12Å; Y325-H381 HydrophobicContact CE1-CB 3.25Å; Y325-H381 HydrophobicContact CE2-CB 3.74Å; Y325-H381 AromaticContact CE2-CG 3.95Å; Y325-H381 HydrophobicContact CG-CB 4.08Å; Y325-H381 AromaticContact CZ-CG 3.65Å; Y325-H381 AromaticContact CZ-ND1 3.89Å; Y325-H381 PolarHBondContact N-O 2.91Å; Y325-H381 PolarHBondContact O-N 2.98Å; Y325-H381 PolarHBondContact OH-ND1 2.8Å; H381-D386 IonicContact CG-OD2 3.43Å; H381-D386 IonicContact ND1-OD2 3.11Å; H381-D386 PolarHBondContact ND1-OD2 3.02Å
382	F	92.5	Very high	75.8	Confident	74 Å²	74	84.2 Å²	84.2	33%	0.325	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.5	176.8	-73.5	-85.7	0	0	0	111	D323 Q324 H380 N384 K385 D386	D323-F382 WeakPolarHBondContact OD2-CD1 3.12Å; D323-F382 WeakPolarHBondContact OD2-CE1 3.4Å; Q324-F382 HydrophobicContact CG-CD1 4.14Å; Q324-F382 HydrophobicContact CG-CE1 4Å; Q324-F382 VanDerWaalsContact NE2-CZ 3.29Å; H380-F382 AromaticContact CD2-CE2 3.97Å; H380-F382 AromaticContact NE2-CE2 3.94Å; F382-N384 PolarHBondContact O-N 2.83Å; F382-K385 HydrophobicContact CB-CB 3.94Å; F382-K385 WeakPolarHBondContact O-CB 3.45Å; F382-K385 PolarHBondContact O-N 3.07Å; F382-D386 PolarHBondContact O-N 2.81Å
383	I	92.9	Very high	77.3	Confident	0 Å²	0	84.3 Å²	84.3	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-58.7	-47.5	-174.6	-63.4	168.5	0	0	0	110.5	F320 D323 Y325 K385 D386 W387 L390	F320-I383 HydrophobicContact CD1-CD1 3.81Å; F320-I383 HydrophobicContact CD1-CG1 3.97Å; F320-I383 HydrophobicContact CE1-CG1 4.35Å; D323-I383 WeakPolarHBondContact O-CG1 3.42Å; D323-I383 PolarHBondContact O-N 2.83Å; Y325-I383 HydrophobicContact CD1-CG1 4.19Å; I383-K385 PolarHBondContact O-N 3.25Å; I383-D386 PolarHBondContact O-N 2.83Å; I383-W387 HydrophobicContact CG2-CB 4.21Å; I383-W387 WeakPolarHBondContact O-CA 3.38Å; I383-W387 WeakPolarHBondContact O-CB 3.48Å; I383-W387 PolarHBondContact O-N 2.97Å; I383-L390 HydrophobicContact CG2-CB 4.44Å; I383-L390 HydrophobicContact CG2-CD2 3.86Å; I383-L390 HydrophobicContact CG2-CG 4.12Å
384	N	90.2	Very high	79.7	Confident	95 Å²	95	76.6 Å²	76.6	51%	0.508	39%	0.388	S	S	.	.	H	α-helix	trans	-65.3	-22.9	179	60.6	18.6	0	0	0	114.5	F382 K388	F382-N384 PolarHBondContact O-N 2.83Å; N384-K388 PolarHBondContact O-NZ 3.05Å
385	K	89.8	Confident	82	Confident	102 Å²	102	74.8 Å²	74.8	44%	0.443	37%	0.374	S	S	.	.	H	α-helix	trans	-78.5	-39.7	-178.6	-171.3	-159.1	168.6	-161.3	0	111.1	F382 I383 K388	F382-K385 HydrophobicContact CB-CB 3.94Å; F382-K385 WeakPolarHBondContact O-CB 3.45Å; F382-K385 PolarHBondContact O-N 3.07Å; I383-K385 PolarHBondContact O-N 3.25Å; K385-K388 VanDerWaalsContact C-NZ 3.32Å; K385-K388 WeakPolarHBondContact O-CE 3.49Å; K385-K388 PolarHBondContact O-NZ 3.44Å
386	D	89.5	Confident	84.5	Confident	41 Å²	41	66.3 Å²	66.3	22%	0.219	33%	0.334	C	S	.	.	H	α-helix	trans	-113.4	-31.7	-170	-55.2	-22.1	0	0	0	112.2	Y325 H381 F382 I383 K543	Y325-D386 HydrophobicContact CE1-CB 4.02Å; Y325-D386 PolarHBondContact OH-OD2 3.36Å; H381-D386 IonicContact CG-OD2 3.43Å; H381-D386 IonicContact ND1-OD2 3.11Å; H381-D386 PolarHBondContact ND1-OD2 3.02Å; F382-D386 PolarHBondContact O-N 2.81Å; I383-D386 PolarHBondContact O-N 2.83Å; D386-K543 WeakPolarHBondContact O-CB 3.45Å
387	W	91.8	Very high	87.1	Confident	1 Å²	1	62 Å²	62	0%	0.004	32%	0.315	C	S	.	.	S	Bend	trans	-102.2	101.6	177.4	-58.5	94.9	0	0	0	112	F304 Y318 F320 Y325 I383 L390 F529 V538 L540 K543	F304-W387 HydrophobicContact CE1-CH2 4.47Å; F304-W387 HydrophobicContact CE1-CZ2 4.49Å; F304-W387 AromaticContact CZ-CH2 3.88Å; F304-W387 HydrophobicContact CZ-CH2 3.88Å; F304-W387 HydrophobicContact CZ-CZ2 4.09Å; Y318-W387 AromaticContact CD1-CZ2 3.79Å; Y318-W387 HydrophobicContact CD1-CZ2 3.79Å; Y318-W387 AromaticContact CE1-CZ2 3.72Å; Y318-W387 HydrophobicContact CE1-CZ2 3.72Å; F320-W387 AromaticContact CE1-NE1 3.83Å; F320-W387 HydrophobicContact CZ-CZ2 4.19Å; Y325-W387 AromaticContact CD1-CD1 3.67Å; Y325-W387 AromaticContact CD1-NE1 3.46Å; Y325-W387 AromaticContact CE1-CD1 3.44Å; Y325-W387 VanDerWaalsContact CE1-CD1 3.44Å; Y325-W387 AromaticContact CE1-NE1 3.24Å; Y325-W387 AromaticContact CG-NE1 3.94Å; Y325-W387 AromaticContact CZ-NE1 3.57Å; I383-W387 HydrophobicContact CG2-CB 4.21Å; I383-W387 WeakPolarHBondContact O-CA 3.38Å; I383-W387 WeakPolarHBondContact O-CB 3.48Å; I383-W387 PolarHBondContact O-N 2.97Å; W387-L390 HydrophobicContact CB-CB 4.19Å; W387-L390 HydrophobicContact CB-CD2 4.02Å; W387-L390 HydrophobicContact CG-CD2 4.39Å; W387-F529 HydrophobicContact CD2-CZ 4.32Å; W387-F529 HydrophobicContact CE3-CE2 4.19Å; W387-F529 HydrophobicContact CE3-CZ 4.23Å; W387-F529 HydrophobicContact CH2-CZ 4.23Å; W387-F529 HydrophobicContact CZ2-CZ 4.35Å; W387-F529 HydrophobicContact CZ3-CE2 4.15Å; W387-F529 HydrophobicContact CZ3-CZ 4.17Å; W387-V538 HydrophobicContact CE3-CG1 3.65Å; W387-V538 HydrophobicContact CZ3-CG1 3.8Å; W387-L540 HydrophobicContact CH2-CD1 3.89Å; W387-L540 HydrophobicContact CZ3-CD1 4.34Å; W387-K543 CarbonylContact C-O 3.59Å; W387-K543 WeakPolarHBondContact CA-O 3.29Å; W387-K543 HydrophobicContact CD2-CB 4.26Å; W387-K543 HydrophobicContact CE3-CB 3.7Å; W387-K543 HydrophobicContact CE3-CD 4.42Å; W387-K543 HydrophobicContact CE3-CG 4.04Å; W387-K543 HydrophobicContact CH2-CD 4.34Å; W387-K543 HydrophobicContact CH2-CG 4.34Å; W387-K543 HydrophobicContact CZ2-CD 4.4Å; W387-K543 HydrophobicContact CZ3-CB 4.06Å; W387-K543 HydrophobicContact CZ3-CD 4.34Å; W387-K543 HydrophobicContact CZ3-CG 3.92Å
388	K	91.4	Very high	89.3	Confident	82 Å²	82	53.5 Å²	53.5	36%	0.357	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-84.4	124.2	-169.7	-56.9	-58.5	174.4	-171.5	0	113.6	N384 K385 L390 K543 R544 V545	N384-K388 PolarHBondContact O-NZ 3.05Å; K385-K388 VanDerWaalsContact C-NZ 3.32Å; K385-K388 WeakPolarHBondContact O-CE 3.49Å; K385-K388 PolarHBondContact O-NZ 3.44Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-K543 PolarHBondContact N-O 2.84Å; K388-R544 HydrophobicContact CB-CB 4.5Å; K388-R544 HydrophobicContact CB-CG 4.11Å; K388-R544 CarbonylContact O-C 3.56Å; K388-R544 WeakPolarHBondContact O-CA 3.47Å; K388-V545 PolarHBondContact O-N 2.97Å
389	G	89.9	Confident	91	Very high	55 Å²	55	49.3 Å²	49.3	57%	0.567	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-16.8	-179.4	0	0	0	0	0	114	V545	G389-V545 VanDerWaalsContact C-CG2 3.43Å
390	L	94.4	Very high	91.7	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.058	22%	0.221	C	C	.	.			trans	-72	139.1	175.9	-173.8	58.7	0	0	0	110.5	I383 W387 K388 V394 F529 Y536 V545	I383-L390 HydrophobicContact CG2-CB 4.44Å; I383-L390 HydrophobicContact CG2-CD2 3.86Å; I383-L390 HydrophobicContact CG2-CG 4.12Å; W387-L390 HydrophobicContact CB-CB 4.19Å; W387-L390 HydrophobicContact CB-CD2 4.02Å; W387-L390 HydrophobicContact CG-CD2 4.39Å; K388-L390 VanDerWaalsContact C-N 3.32Å; L390-V394 HydrophobicContact CD1-CG1 3.89Å; L390-V394 HydrophobicContact CD2-CG1 4.2Å; L390-V394 HydrophobicContact CG-CG1 4.12Å; L390-F529 HydrophobicContact CD1-CB 3.59Å; L390-F529 HydrophobicContact CD1-CD1 4.5Å; L390-F529 HydrophobicContact CD1-CD2 4.13Å; L390-F529 HydrophobicContact CD1-CG 3.85Å; L390-F529 HydrophobicContact CD2-CB 4.38Å; L390-F529 HydrophobicContact CD2-CD1 3.8Å; L390-F529 HydrophobicContact CD2-CD2 3.78Å; L390-F529 HydrophobicContact CD2-CE1 3.9Å; L390-F529 HydrophobicContact CD2-CE2 3.87Å; L390-F529 HydrophobicContact CD2-CG 3.73Å; L390-F529 HydrophobicContact CD2-CZ 3.92Å; L390-F529 HydrophobicContact CG-CG 4.47Å; L390-Y536 HydrophobicContact CD1-CD1 4.48Å; L390-Y536 HydrophobicContact CD1-CD2 3.73Å; L390-Y536 HydrophobicContact CD1-CE2 4.22Å; L390-Y536 HydrophobicContact CD1-CG 3.9Å; L390-V545 HydrophobicContact CB-CG2 4.39Å
391	K	93.4	Very high	91.4	Very high	130 Å²	130	39.9 Å²	39.9	57%	0.565	21%	0.212	S	C	*	.			trans	-110.4	103.9	-178.3	-63.9	-172.3	-173	176.1	0	111.4	K531 Y536	K391-K531 HydrophobicContact CB-CD 4.42Å; K391-K531 PolarHBondContact O-NZ 2.69Å; K391-Y536 WeakPolarHBondContact CD-OH 3.14Å; K391-Y536 WeakPolarHBondContact CG-OH 3.42Å
392	S	93.5	Very high	90.5	Very high	38 Å²	38	38.9 Å²	38.9	27%	0.266	21%	0.208	S	C	.	.	S	Bend	trans	-62.9	160.1	173.9	51.2	0	0	0	0	114	G322 K531	G322-S392 WeakPolarHBondContact O-CB 3.49Å; S392-K531 PolarHBondContact O-NZ 3.42Å
393	P	95.5	Very high	89	Confident	59 Å²	59	38.7 Å²	38.7	38%	0.383	21%	0.205	S	C	.	.	S	Bend	cis	-61.3	168	-21.4	30.7	-36.7	0	0	0	111.8	G322 K531	G322-P393 VanDerWaalsContact O-CA 3.25Å; G322-P393 WeakPolarHBondContact O-CA 3.45Å; P393-K531 PolarHBondContact O-NZ 2.84Å
394	V	96.3	Very high	87.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.			trans	-114.1	139.2	171.6	-68.3	0	0	0	0	108	D301 A302 F320 L390 F529	D301-V394 WeakPolarHBondContact CB-O 3.46Å; A302-V394 HydrophobicContact CB-CG2 3.97Å; F320-V394 HydrophobicContact CB-CG2 3.82Å; F320-V394 HydrophobicContact CD1-CG2 4.13Å; F320-V394 HydrophobicContact CG-CG2 3.93Å; L390-V394 HydrophobicContact CD1-CG1 3.89Å; L390-V394 HydrophobicContact CD2-CG1 4.2Å; L390-V394 HydrophobicContact CG-CG1 4.12Å; V394-F529 HydrophobicContact CB-CD1 4.34Å; V394-F529 HydrophobicContact CG1-CB 4.19Å; V394-F529 HydrophobicContact CG1-CD1 4.08Å; V394-F529 HydrophobicContact CG1-CG 4.5Å; V394-F529 HydrophobicContact CG2-CD1 4.12Å
395	D	96.3	Very high	85.5	Confident	53 Å²	53	38.4 Å²	38.4	28%	0.283	21%	0.207	S	C	.	.	S	Bend	trans	-95.7	-14.5	-169.4	-48.3	-20.8	0	0	0	111.6	D301 F530 K531 A532	D301-D395 CarbonylContact O-C 3.54Å; D395-F530 PolarHBondContact N-O 2.81Å; D395-K531 WeakPolarHBondContact OD2-CA 3.45Å; D395-A532 PolarHBondContact OD2-N 3.17Å
396	A	96.8	Very high	83.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	166	164.4	0	0	0	0	0	110.2	F210 F530	F210-A396 HydrophobicContact CD2-CB 3.9Å; A396-F530 HydrophobicContact CB-CB 4.09Å; A396-F530 HydrophobicContact CB-CD2 3.98Å; A396-F530 HydrophobicContact CB-CG 4.39Å; A396-F530 PolarHBondContact O-N 2.6Å
397	A	96.5	Very high	80.6	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.1	171.7	0	0	0	0	0	111	A302 F304 Y528 F529	A302-A397 HydrophobicContact CB-CB 3.8Å; F304-A397 HydrophobicContact CD1-CB 3.97Å; A397-Y528 CarbonylContact C-O 3.53Å; A397-Y528 VanDerWaalsContact CA-O 3.24Å; A397-Y528 WeakPolarHBondContact CA-O 3.39Å; A397-F529 HydrophobicContact CB-CD1 3.74Å; A397-F529 HydrophobicContact CB-CE1 3.94Å
398	M	93.1	Very high	77.8	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	139.5	176.4	-174.1	-175.6	66.3	0	0	109.7	T91 F210 Q212 I218 Y528 F530 W560	T91-M398 HydrophobicContact CG2-CE 3.83Å; F210-M398 HydrophobicContact CB-CB 4.03Å; F210-M398 HydrophobicContact CB-SD 4.28Å; Q212-M398 HydrophobicContact CB-SD 4.25Å; I218-M398 HydrophobicContact CD1-CE 3.99Å; I218-M398 HydrophobicContact CD1-SD 4.33Å; I218-M398 HydrophobicContact CG1-SD 4.44Å; I218-M398 HydrophobicContact CG2-CE 4.24Å; I218-M398 HydrophobicContact CG2-SD 3.73Å; M398-Y528 PolarHBondContact N-O 3.4Å; M398-Y528 PolarHBondContact O-N 3.03Å; M398-F530 HydrophobicContact CB-CE2 4.32Å; M398-W560 HydrophobicContact CE-CH2 3.52Å; M398-W560 HydrophobicContact CE-CZ3 3.69Å
399	T	90.1	Very high	74.6	Confident	12 Å²	12	53.4 Å²	53.4	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.7	173.9	-164.7	0	0	0	0	111.1	I259 Q525	I259-T399 HydrophobicContact CD1-CG2 3.77Å; T399-Q525 PolarHBondContact OG1-NE2 3.02Å
400	G	82.3	Confident	71.6	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-176	171.1	0	0	0	0	0	112.1	Q525 S526	G400-Q525 PolarHBondContact O-NE2 3.03Å; G400-S526 VanDerWaalsContact CA-O 3.28Å; G400-S526 WeakPolarHBondContact CA-O 3.17Å; G400-S526 PolarHBondContact N-O 3.42Å
401	R	73.1	Confident	68.4	Low	27 Å²	27	63.5 Å²	63.5	10%	0.102	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	159.4	171.8	-57	178.1	178.4	-160.7	1.1	110.7	D90 T91 F92 V93 R353	D90-R401 VanDerWaalsContact O-CB 3.23Å; D90-R401 WeakPolarHBondContact O-CB 3.21Å; D90-R401 WeakPolarHBondContact O-CG 3.44Å; T91-R401 PolarHBondContact O-NE 2.84Å; T91-R401 PolarHBondContact O-NH2 3.3Å; F92-R401 WeakPolarHBondContact O-CD 3.35Å; F92-R401 PolarHBondContact O-NE 3.38Å; F92-R401 PolarHBondContact O-NH1 3.4Å; V93-R401 VanDerWaalsContact CA-NH1 3.32Å; V93-R401 VanDerWaalsContact CG2-NH1 3.33Å; R353-R401 VanDerWaalsContact CZ-CZ 3.41Å; R353-R401 VanDerWaalsContact CZ-NH1 3.31Å
402	I	70.8	Confident	65.2	Low	25 Å²	25	66.4 Å²	66.4	13%	0.128	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.4	162.4	-48.7	152.4	0	0	0	106.8	Y354 L357 F366 Y370 P523 I524 Q525	Y354-I402 HydrophobicContact CD2-CD1 3.98Å; L357-I402 HydrophobicContact CD1-CB 3.8Å; L357-I402 HydrophobicContact CD1-CD1 4.31Å; L357-I402 HydrophobicContact CD1-CG2 3.54Å; F366-I402 HydrophobicContact CE1-CD1 3.95Å; F366-I402 HydrophobicContact CE1-CG2 4.16Å; F366-I402 HydrophobicContact CZ-CD1 4.35Å; Y370-I402 WeakPolarHBondContact OH-CD1 3.43Å; I402-P523 HydrophobicContact CG2-CB 3.75Å; I402-I524 CarbonylContact C-O 3.5Å; I402-I524 WeakPolarHBondContact CA-O 3.17Å; I402-Q525 HydrophobicContact CG1-CB 4.17Å; I402-Q525 HydrophobicContact CG1-CG 4.25Å
403	Y	61.3	Low	62.2	Low	70 Å²	70	70.5 Å²	70.5	28%	0.275	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.8	172.5	67.1	-82.8	0	0	0	110.1	D90 P523 I524	D90-Y403 HydrophobicContact CB-CD1 3.95Å; D90-Y403 HydrophobicContact CB-CE1 3.86Å; Y403-P523 CarbonylContact O-C 3.6Å; Y403-P523 WeakPolarHBondContact O-CA 3.37Å; Y403-I524 HydrophobicContact CD1-CB 4.39Å; Y403-I524 WeakPolarHBondContact CD1-O 3.06Å; Y403-I524 HydrophobicContact CE1-CB 3.86Å; Y403-I524 HydrophobicContact CE1-CG2 3.76Å; Y403-I524 HydrophobicContact CE2-CB 4.18Å; Y403-I524 HydrophobicContact CE2-CD1 4.21Å; Y403-I524 PolarHBondContact N-O 3.21Å; Y403-I524 PolarHBondContact O-N 3.06Å
404	I	60.1	Low	59.1	Low	58 Å²	58	74.2 Å²	74.2	30%	0.297	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.4	168.3	-62.4	172.9	0	0	0	106	L357 Y362 P523	L357-I404 HydrophobicContact CD2-CD1 3.5Å; L357-I404 VanDerWaalsContact CD2-CD1 3.5Å; L357-I404 HydrophobicContact CD2-CG1 3.9Å; Y362-I404 HydrophobicContact CD2-CD1 4.28Å; Y362-I404 HydrophobicContact CE1-CD1 4.11Å; Y362-I404 HydrophobicContact CE2-CD1 3.68Å; I404-P523 HydrophobicContact CG1-CB 4.25Å
405	A	49.6	Very low	56.4	Low	31 Å²	31	82.8 Å²	82.8	26%	0.256	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-70.1	131.4	171.8	0	0	0	0	0	109.5
406	P	38.9	Very low	53.4	Low	82 Å²	82	88.6 Å²	88.6	53%	0.532	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-63.6	149.9	171.9	27.2	-33.4	0	0	0	110.2	R408	P406-R408 PolarHBondContact O-N 3.18Å
407	L	37.8	Very low	50.2	Low	112 Å²	112	98.6 Å²	98.6	59%	0.586	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-59.5	118.5	175.6	-84.2	80	0	0	0	109.5	S409 E521	L407-S409 VanDerWaalsContact C-N 3.32Å; L407-S409 PolarHBondContact O-N 3.38Å; L407-E521 HydrophobicContact CD1-CG 3.61Å
408	R	31.9	Very low	47.2	Very low	240 Å²	240	101.7 Å²	101.7	91%	0.906	52%	0.521	S	S	*	.			trans	-58.7	100.7	157.3	-77.9	-172.2	171.8	-172.4	-1.9	108.1	P406 S410	P406-R408 PolarHBondContact O-N 3.18Å; R408-S410 VanDerWaalsContact C-N 3.26Å; R408-S410 PolarHBondContact O-N 3.48Å
409	S	25.8	Very low	44.4	Very low	107 Å²	107	109.4 Å²	109.4	75%	0.748	56%	0.557	S	S	*	*			trans	-65.4	88.4	174.4	56.4	0	0	0	0	108.9	L407 M411	L407-S409 VanDerWaalsContact C-N 3.32Å; L407-S409 PolarHBondContact O-N 3.38Å; S409-M411 PolarHBondContact O-N 3.33Å
410	S	26.8	Very low	41.7	Very low	101 Å²	101	115.4 Å²	115.4	71%	0.706	58%	0.584	S	S	*	*			trans	-70.1	77.9	171.3	65.9	0	0	0	0	108.4	R408 R412	R408-S410 VanDerWaalsContact C-N 3.26Å; R408-S410 PolarHBondContact O-N 3.48Å; S410-R412 PolarHBondContact O-N 3.09Å
411	M	25.7	Very low	39.4	Very low	178 Å²	178	125.4 Å²	125.4	88%	0.877	62%	0.623	S	S	*	*			trans	-71	70.2	-179	-167.4	179.7	-174.8	0	0	109.8	S409	S409-M411 PolarHBondContact O-N 3.33Å
412	R	27.2	Very low	37.6	Very low	191 Å²	191	132.1 Å²	132.1	72%	0.721	66%	0.655	S	S	*	*			trans	-61.1	129.9	165.3	-69.9	-175.9	170.8	-146.9	-3.4	107.5	S410 D414	S410-R412 PolarHBondContact O-N 3.09Å; R412-D414 PolarHBondContact O-N 3.16Å
413	P	30.6	Very low	36	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	68%	0.684	S	S	*	*			trans	-76.9	67	176.9	32.1	-35.4	0	0	0	110.7	Q415	P413-Q415 PolarHBondContact O-N 2.84Å
414	D	30.2	Very low	34.7	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	71%	0.709	S	S	*	*			trans	-74.3	49.4	174.9	-77.7	-46.3	0	0	0	111.5	R412 Q416	R412-D414 PolarHBondContact O-N 3.16Å; D414-Q416 PolarHBondContact O-N 2.76Å
415	Q	39.6	Very low	33.3	Very low	180 Å²	180	142.4 Å²	142.4	84%	0.841	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	18	-170.9	-147.5	179.3	53.7	0	0	113.5	P413	P413-Q415 PolarHBondContact O-N 2.84Å
416	Q	34.3	Very low	32.5	Very low	175 Å²	175	151.8 Å²	151.8	82%	0.818	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	-0.9	-166	-147.4	175.9	5.1	0	0	116.5	D414	D414-Q416 PolarHBondContact O-N 2.76Å
417	W	28.9	Very low	32.3	Very low	210 Å²	210	157 Å²	157	80%	0.795	77%	0.772	S	S	*	*	S	Bend	trans	-113.4	-2	177.3	-82.5	104.1	0	0	0	116.3
418	G	33.5	Very low	32	Very low	67 Å²	67	163.4 Å²	163.4	69%	0.691	79%	0.788	S	S	*	*	S	Bend	trans	-77.9	-25.2	178.2	0	0	0	0	0	115.9	Q420	G418-Q420 PolarHBondContact O-N 3Å
419	Q	34.4	Very low	32	Very low	167 Å²	167	155.7 Å²	155.7	78%	0.78	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-13.7	-164.8	-65.8	-162	16.2	0	0	115.8
420	Q	33.6	Very low	32.4	Very low	138 Å²	138	162.4 Å²	162.4	65%	0.645	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-14.7	-171.6	-157.7	161.7	11.6	0	0	114.7	G418	G418-Q420 PolarHBondContact O-N 3Å
421	Y	32.3	Very low	32.8	Very low	214 Å²	214	169 Å²	169	84%	0.839	80%	0.801	S	S	*	*	S	Bend	trans	-94.4	-1.2	-177.4	-91.9	-86.6	0	0	0	115.8
422	Q	36.2	Very low	32.9	Very low	167 Å²	167	172.5 Å²	172.5	78%	0.78	81%	0.805	S	S	*	*	S	Bend	trans	-94.8	-10.2	177.4	-105.8	-175.9	1.5	0	0	115.6
423	Q	37.1	Very low	33.1	Very low	158 Å²	158	172.7 Å²	172.7	74%	0.738	81%	0.814	S	S	*	*	S	Bend	trans	-80	-28.4	-178.6	-67.2	-168.2	1.6	0	0	114	G425	Q423-G425 PolarHBondContact O-N 3.06Å
424	N	34.9	Very low	32.9	Very low	150 Å²	150	173.9 Å²	173.9	80%	0.802	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-1.9	-171.8	-70	-14	0	0	0	115.3
425	G	30.9	Very low	32.6	Very low	62 Å²	62	178.6 Å²	178.6	64%	0.639	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-22.2	176.2	0	0	0	0	0	114.7	Q423 Q427	Q423-G425 PolarHBondContact O-N 3.06Å; G425-Q427 PolarHBondContact O-N 3.47Å
426	W	31.4	Very low	32.1	Very low	228 Å²	228	175.1 Å²	175.1	86%	0.864	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	20.2	-163	-77.3	98.2	0	0	0	116.5
427	Q	34.5	Very low	32.5	Very low	190 Å²	190	172.7 Å²	172.7	89%	0.888	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	12.3	-179.2	-67.2	-158.3	6.9	0	0	117	G425	G425-Q427 PolarHBondContact O-N 3.47Å
428	R	32.9	Very low	32.9	Very low	248 Å²	248	167.4 Å²	167.4	94%	0.936	81%	0.811	S	S	*	*	S	Bend	trans	-133	97.5	163.1	-76.1	-171.7	177.3	-176.9	0.3	111.7
429	G	31.1	Very low	32.5	Very low	77 Å²	77	173.1 Å²	173.1	79%	0.794	81%	0.812	S	S	*	*			trans	179	-18.6	179.9	0	0	0	0	0	116.2	R431	G429-R431 PolarHBondContact O-N 3.31Å
430	R	35.4	Very low	32.4	Very low	249 Å²	249	168.7 Å²	168.7	94%	0.94	81%	0.811	S	S	*	*			trans	-69.8	85.8	174	-80.6	-168.2	172.8	-151.7	0.1	112.3
431	R	33.5	Very low	32.8	Very low	238 Å²	238	165.6 Å²	165.6	90%	0.898	81%	0.805	S	S	*	*			trans	-177.5	86.8	147.3	-103.9	166	-174	-166	2.7	113.4	G429	G429-R431 PolarHBondContact O-N 3.31Å
432	R	29	Very low	32.8	Very low	252 Å²	252	160.8 Å²	160.8	95%	0.951	79%	0.791	S	S	*	*			trans	169.6	98	132.2	-94.9	172.4	179	-167.3	-0.1	110.8
433	Q	30.5	Very low	32.9	Very low	195 Å²	195	155.7 Å²	155.7	91%	0.911	78%	0.778	S	S	*	*			trans	-132.7	127.4	160.6	-79.8	-177.6	-24.4	0	0	107.2
434	N	27	Very low	32.9	Very low	148 Å²	148	155.8 Å²	155.8	79%	0.791	78%	0.778	S	S	*	*			trans	-165.5	102.1	163	-136.8	-9.9	0	0	0	112.7
435	R	24.5	Very low	33	Very low	237 Å²	237	157.6 Å²	157.6	89%	0.894	77%	0.774	S	S	*	*			trans	62.4	156.2	162.1	-67.7	175.9	172.3	177	-3.9	117.2
436	S	28.5	Very low	33.2	Very low	107 Å²	107	156.8 Å²	156.8	75%	0.748	77%	0.765	S	S	*	*			cis	-144.9	168	-2.9	40.3	0	0	0	0	111.1
437	P	42.5	Very low	33.5	Very low	125 Å²	125	152.3 Å²	152.3	81%	0.812	76%	0.756	S	S	*	*			trans	-114.3	117.8	-171.7	35.9	-22.8	0	0	0	115.1
438	S	36.6	Very low	33.6	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	74%	0.742	S	S	*	*			trans	-171.4	76.1	167.5	60.7	0	0	0	0	115.8
439	W	25.9	Very low	33.7	Very low	187 Å²	187	142.6 Å²	142.6	71%	0.708	73%	0.732	S	S	*	*			trans	-144.5	48.4	172.3	-79.6	119.3	0	0	0	115	S441 M442	W439-S441 VanDerWaalsContact C-N 3.3Å; W439-S441 PolarHBondContact O-N 3.02Å; W439-M442 HydrophobicContact CD2-SD 4.07Å; W439-M442 HydrophobicContact CE3-CE 3.99Å; W439-M442 HydrophobicContact CE3-CG 3.81Å; W439-M442 HydrophobicContact CE3-SD 3.63Å; W439-M442 HydrophobicContact CH2-CE 3.76Å; W439-M442 HydrophobicContact CH2-SD 4.43Å; W439-M442 HydrophobicContact CZ2-CE 4.39Å; W439-M442 HydrophobicContact CZ3-CE 3.53Å; W439-M442 HydrophobicContact CZ3-CG 4.06Å; W439-M442 HydrophobicContact CZ3-SD 3.85Å
440	G	32.8	Very low	33.8	Very low	75 Å²	75	140.7 Å²	140.7	77%	0.773	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-14.8	176.4	0	0	0	0	0	115.7
441	S	41.6	Very low	34	Very low	72 Å²	72	135.3 Å²	135.3	50%	0.503	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112	14.7	-166.5	55.6	0	0	0	0	115.5	W439	W439-S441 VanDerWaalsContact C-N 3.3Å; W439-S441 PolarHBondContact O-N 3.02Å
442	M	31.2	Very low	34.3	Very low	114 Å²	114	124.9 Å²	124.9	56%	0.562	67%	0.665	S	S	*	*	S	Bend	trans	-102.8	-26.4	172	-81.4	-176.9	166.1	0	0	113.7	W439 E444 R445 G446	W439-M442 HydrophobicContact CD2-SD 4.07Å; W439-M442 HydrophobicContact CE3-CE 3.99Å; W439-M442 HydrophobicContact CE3-CG 3.81Å; W439-M442 HydrophobicContact CE3-SD 3.63Å; W439-M442 HydrophobicContact CH2-CE 3.76Å; W439-M442 HydrophobicContact CH2-SD 4.43Å; W439-M442 HydrophobicContact CZ2-CE 4.39Å; W439-M442 HydrophobicContact CZ3-CE 3.53Å; W439-M442 HydrophobicContact CZ3-CG 4.06Å; W439-M442 HydrophobicContact CZ3-SD 3.85Å; M442-E444 PolarHBondContact O-N 3.05Å; M442-R445 PolarHBondContact O-N 3.11Å; M442-G446 PolarHBondContact O-N 2.79Å
443	A	38.3	Very low	34.7	Very low	60 Å²	60	120.5 Å²	120.5	50%	0.496	65%	0.653	S	S	.	*	H	α-helix	trans	-59	-48.1	-174.3	0	0	0	0	0	113	R445 G446 M447	A443-R445 VanDerWaalsContact C-N 3.29Å; A443-R445 PolarHBondContact O-N 3.5Å; A443-G446 PolarHBondContact O-N 3.17Å; A443-M447 PolarHBondContact O-N 2.93Å
444	E	37.3	Very low	35.2	Very low	159 Å²	159	113.7 Å²	113.7	74%	0.743	63%	0.63	S	S	*	*	H	α-helix	trans	-63.9	-30.5	-177.7	-64.6	176.8	125	0	0	113.2	M442	M442-E444 PolarHBondContact O-N 3.05Å
445	R	37.8	Very low	36.1	Very low	189 Å²	189	112.7 Å²	112.7	71%	0.713	62%	0.621	S	S	*	*	H	α-helix	trans	-79.8	-19	175.1	-93.5	-178.2	-71.7	-153.7	-4.2	113.9	M442 A443	M442-R445 PolarHBondContact O-N 3.11Å; A443-R445 VanDerWaalsContact C-N 3.29Å; A443-R445 PolarHBondContact O-N 3.5Å
446	G	34.3	Very low	37.1	Very low	45 Å²	45	108.6 Å²	108.6	46%	0.464	61%	0.605	S	S	.	*	H	α-helix	trans	-72.5	-34.2	170.7	0	0	0	0	0	112.8	M442 A443 G450	M442-G446 PolarHBondContact O-N 2.79Å; A443-G446 PolarHBondContact O-N 3.17Å; G446-G450 PolarHBondContact O-N 3.35Å; G446-G450 VanDerWaalsContact O-N 3.12Å
447	M	37.6	Very low	37.7	Very low	133 Å²	133	105.7 Å²	105.7	66%	0.655	59%	0.592	S	S	*	*	H	α-helix	trans	-68	-41.5	-170.6	-70.1	175.5	175.8	0	0	113.7	A443 G450 Q451	A443-M447 PolarHBondContact O-N 2.93Å; M447-G450 PolarHBondContact O-N 2.89Å; M447-Q451 PolarHBondContact O-N 2.79Å
448	S	37.3	Very low	37.7	Very low	85 Å²	85	105.4 Å²	105.4	59%	0.594	58%	0.581	S	S	*	*	H	α-helix	trans	-75.1	-30	-180	62.8	0	0	0	0	113.9	G450	S448-G450 VanDerWaalsContact C-N 3.33Å
449	M	34.9	Very low	38.1	Very low	149 Å²	149	105.3 Å²	105.3	73%	0.734	57%	0.57	S	S	*	*	H	α-helix	trans	-68.3	-34.4	169.9	-74.3	-168.4	172.3	0	0	111.9	F453	M449-F453 PolarHBondContact O-N 2.84Å
450	G	34.3	Very low	38.9	Very low	38 Å²	38	102.7 Å²	102.7	39%	0.392	57%	0.567	S	S	.	*	H	α-helix	trans	-60.9	-47.3	178.5	0	0	0	0	0	113.4	G446 M447 S448 F453 A454	G446-G450 PolarHBondContact O-N 3.35Å; G446-G450 VanDerWaalsContact O-N 3.12Å; M447-G450 PolarHBondContact O-N 2.89Å; S448-G450 VanDerWaalsContact C-N 3.33Å; G450-F453 PolarHBondContact O-N 2.84Å; G450-A454 WeakPolarHBondContact O-CB 3.43Å; G450-A454 PolarHBondContact O-N 3.18Å
451	Q	38	Very low	39.2	Very low	135 Å²	135	100.7 Å²	100.7	63%	0.631	55%	0.547	S	S	*	.	H	α-helix	trans	-60	-50.1	-178.3	-69.6	-178.9	-72.4	0	0	112.7	M447 F453 A454 E455	M447-Q451 PolarHBondContact O-N 2.79Å; Q451-F453 PolarHBondContact O-N 2.95Å; Q451-A454 PolarHBondContact O-N 2.76Å; Q451-E455 PolarHBondContact O-N 3.34Å
452	G	39.9	Very low	39.3	Very low	19 Å²	19	103 Å²	103	20%	0.196	55%	0.553	C	S	.	*	H	α-helix	trans	-66.6	-19.8	-179.8	0	0	0	0	0	114.4	R456	G452-R456 PolarHBondContact O-NE 3.48Å; G452-R456 PolarHBondContact O-NH2 2.75Å
453	F	37	Very low	40.3	Very low	160 Å²	160	103.5 Å²	103.5	70%	0.702	55%	0.549	S	S	*	.	H	α-helix	trans	-83.8	-36.9	169.1	-113.2	-83.1	0	0	0	112.3	M449 G450 Q451 G457	M449-F453 PolarHBondContact O-N 2.84Å; G450-F453 PolarHBondContact O-N 2.84Å; Q451-F453 PolarHBondContact O-N 2.95Å; F453-G457 PolarHBondContact O-N 3.26Å
454	A	41.4	Very low	40.7	Very low	52 Å²	52	105.7 Å²	105.7	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-64.9	-43.9	176.5	0	0	0	0	0	112.1	G450 Q451 G457 M458	G450-A454 WeakPolarHBondContact O-CB 3.43Å; G450-A454 PolarHBondContact O-N 3.18Å; Q451-A454 PolarHBondContact O-N 2.76Å; A454-G457 CarbonylContact O-C 3.57Å; A454-G457 PolarHBondContact O-N 2.88Å; A454-M458 WeakPolarHBondContact O-CG 3.16Å; A454-M458 PolarHBondContact O-N 2.83Å
455	E	45.4	Very low	41	Very low	128 Å²	128	100.2 Å²	100.2	60%	0.598	53%	0.533	S	S	*	.	H	α-helix	trans	-62.3	-48.6	178.3	-71	177.2	149.1	0	0	112.2	Q451 G457 M458 E459	Q451-E455 PolarHBondContact O-N 3.34Å; E455-G457 VanDerWaalsContact C-N 3.29Å; E455-G457 PolarHBondContact O-N 2.86Å; E455-M458 HydrophobicContact CG-CE 4.43Å; E455-M458 PolarHBondContact O-N 3.42Å; E455-E459 PolarHBondContact O-N 3.26Å
456	R	47.3	Very low	41.4	Very low	151 Å²	151	97 Å²	97	57%	0.57	53%	0.526	S	S	*	.	H	α-helix	trans	-65.6	-32.5	174.8	-72	-172.5	-69.9	-94.7	0.4	112.5	G452 M460	G452-R456 PolarHBondContact O-NE 3.48Å; G452-R456 PolarHBondContact O-NH2 2.75Å; R456-M460 VanDerWaalsContact O-CB 3.24Å; R456-M460 WeakPolarHBondContact O-CB 3.46Å; R456-M460 PolarHBondContact O-N 3.2Å
457	G	40.9	Very low	42	Very low	45 Å²	45	101.9 Å²	101.9	46%	0.464	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-40.7	171.8	0	0	0	0	0	112.7	F453 A454 E455 G461	F453-G457 PolarHBondContact O-N 3.26Å; A454-G457 CarbonylContact O-C 3.57Å; A454-G457 PolarHBondContact O-N 2.88Å; E455-G457 VanDerWaalsContact C-N 3.29Å; E455-G457 PolarHBondContact O-N 2.86Å; G457-G461 WeakPolarHBondContact O-CA 3.42Å; G457-G461 PolarHBondContact O-N 2.82Å
458	M	41.8	Very low	42.4	Very low	120 Å²	120	103.1 Å²	103.1	59%	0.591	53%	0.528	S	S	*	.	H	α-helix	trans	-71.9	-39.3	175.4	-72.1	-175.8	-66.2	0	0	112.3	A454 E455 G461 L462	A454-M458 WeakPolarHBondContact O-CG 3.16Å; A454-M458 PolarHBondContact O-N 2.83Å; E455-M458 HydrophobicContact CG-CE 4.43Å; E455-M458 PolarHBondContact O-N 3.42Å; M458-G461 PolarHBondContact O-N 3.33Å; M458-L462 WeakPolarHBondContact O-CB 3.34Å; M458-L462 WeakPolarHBondContact O-CG 3.38Å; M458-L462 PolarHBondContact O-N 2.83Å
459	E	45.2	Very low	42.6	Very low	95 Å²	95	104.9 Å²	104.9	44%	0.444	53%	0.528	S	S	.	.	H	α-helix	trans	-67	-41	176.5	-162.3	-163.2	163.7	0	0	111.8	E455 R463	E455-E459 PolarHBondContact O-N 3.26Å; E459-R463 VanDerWaalsContact CD-NH1 3.33Å; E459-R463 PolarHBondContact O-N 2.79Å; E459-R463 VanDerWaalsContact O-N 3.08Å; E459-R463 IonicContact OE1-CZ 2.74Å; E459-R463 IonicContact OE1-NH1 2.66Å; E459-R463 PolarHBondContact OE1-NH1 2.9Å; E459-R463 IonicContact OE1-NH2 3.7Å; E459-R463 PolarHBondContact OE1-NH2 2.67Å
460	M	42.6	Very low	43.4	Very low	132 Å²	132	103.6 Å²	103.6	65%	0.65	52%	0.521	S	S	*	.	H	α-helix	trans	-70.3	-37.2	173.5	-165.1	172.7	-159.3	0	0	111.7	R456 R463 L464	R456-M460 VanDerWaalsContact O-CB 3.24Å; R456-M460 WeakPolarHBondContact O-CB 3.46Å; R456-M460 PolarHBondContact O-N 3.2Å; M460-R463 PolarHBondContact O-N 3.42Å; M460-L464 HydrophobicContact CG-CD1 4.25Å; M460-L464 WeakPolarHBondContact O-CB 3.38Å; M460-L464 WeakPolarHBondContact O-CG 3.47Å; M460-L464 PolarHBondContact O-N 3.2Å
461	G	39.5	Very low	43.7	Very low	34 Å²	34	107.4 Å²	107.4	35%	0.351	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-42.4	173.4	0	0	0	0	0	112.5	G457 M458 L464 A465	G457-G461 WeakPolarHBondContact O-CA 3.42Å; G457-G461 PolarHBondContact O-N 2.82Å; M458-G461 PolarHBondContact O-N 3.33Å; G461-L464 CarbonylContact O-C 3.51Å; G461-L464 PolarHBondContact O-N 2.88Å; G461-A465 VanDerWaalsContact O-CB 3.29Å; G461-A465 WeakPolarHBondContact O-CB 3.44Å; G461-A465 PolarHBondContact O-N 3.37Å
462	L	43.8	Very low	43.7	Very low	121 Å²	121	105 Å²	105	63%	0.634	52%	0.518	S	S	*	.	H	α-helix	trans	-63.7	-48.5	173.4	-81.4	162	0	0	0	111.3	M458 L464 A465 E466	M458-L462 WeakPolarHBondContact O-CB 3.34Å; M458-L462 WeakPolarHBondContact O-CG 3.38Å; M458-L462 PolarHBondContact O-N 2.83Å; L462-L464 PolarHBondContact O-N 2.79Å; L462-L464 VanDerWaalsContact O-N 3.15Å; L462-A465 PolarHBondContact O-N 2.85Å; L462-E466 WeakPolarHBondContact O-CB 3.25Å; L462-E466 PolarHBondContact O-N 2.04Å
463	R	50.9	Low	43.8	Very low	124 Å²	124	111.6 Å²	111.6	47%	0.468	54%	0.544	S	S	.	.	H	α-helix	trans	-71	-4.6	175.4	-66.7	-162	-168.6	94.4	4.9	115	E459 M460 R467	E459-R463 VanDerWaalsContact CD-NH1 3.33Å; E459-R463 PolarHBondContact O-N 2.79Å; E459-R463 VanDerWaalsContact O-N 3.08Å; E459-R463 IonicContact OE1-CZ 2.74Å; E459-R463 IonicContact OE1-NH1 2.66Å; E459-R463 PolarHBondContact OE1-NH1 2.9Å; E459-R463 IonicContact OE1-NH2 3.7Å; E459-R463 PolarHBondContact OE1-NH2 2.67Å; M460-R463 PolarHBondContact O-N 3.42Å; R463-R467 PolarHBondContact O-NE 2.72Å; R463-R467 PolarHBondContact O-NH2 3.1Å
464	L	48.1	Very low	44	Very low	106 Å²	106	114.1 Å²	114.1	56%	0.555	55%	0.549	S	S	*	.	H	α-helix	trans	-96.8	-41	167.6	-81.2	165.5	0	0	0	110.9	M460 G461 L462 R467 R468	M460-L464 HydrophobicContact CG-CD1 4.25Å; M460-L464 WeakPolarHBondContact O-CB 3.38Å; M460-L464 WeakPolarHBondContact O-CG 3.47Å; M460-L464 PolarHBondContact O-N 3.2Å; G461-L464 CarbonylContact O-C 3.51Å; G461-L464 PolarHBondContact O-N 2.88Å; L462-L464 PolarHBondContact O-N 2.79Å; L462-L464 VanDerWaalsContact O-N 3.15Å; L464-R467 CarbonylContact O-C 3.18Å; L464-R468 VanDerWaalsContact O-CB 3.23Å; L464-R468 WeakPolarHBondContact O-CB 3.35Å; L464-R468 PolarHBondContact O-N 3.19Å
465	A	42.7	Very low	44	Very low	44 Å²	44	116.4 Å²	116.4	36%	0.364	55%	0.553	S	S	.	*	H	α-helix	trans	-67.3	-39.9	175.6	0	0	0	0	0	112.4	G461 L462 R468 M469	G461-A465 VanDerWaalsContact O-CB 3.29Å; G461-A465 WeakPolarHBondContact O-CB 3.44Å; G461-A465 PolarHBondContact O-N 3.37Å; L462-A465 PolarHBondContact O-N 2.85Å; A465-R468 CarbonylContact O-C 3.53Å; A465-R468 WeakPolarHBondContact O-CB 3.44Å; A465-R468 PolarHBondContact O-N 2.72Å; A465-M469 WeakPolarHBondContact O-CG 3.45Å; A465-M469 PolarHBondContact O-N 2.9Å
466	E	45.9	Very low	43.7	Very low	121 Å²	121	112.7 Å²	112.7	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-62.1	-47	174.4	-174.4	173.1	-129.1	0	0	110.8	L462 R468 M469 E470	L462-E466 WeakPolarHBondContact O-CB 3.25Å; L462-E466 PolarHBondContact O-N 2.04Å; E466-R468 VanDerWaalsContact C-N 3.32Å; E466-R468 PolarHBondContact O-N 2.64Å; E466-M469 PolarHBondContact O-N 2.99Å; E466-E470 PolarHBondContact O-N 3.44Å
467	R	47.1	Very low	43.6	Very low	147 Å²	147	115.7 Å²	115.7	56%	0.555	56%	0.561	S	S	*	*	H	α-helix	trans	-72.2	-20.9	172.4	-83.2	-178.4	-68.9	-167.5	-3.1	114.2	R463 L464 M471	R463-R467 PolarHBondContact O-NE 2.72Å; R463-R467 PolarHBondContact O-NH2 3.1Å; L464-R467 CarbonylContact O-C 3.18Å; R467-M471 WeakPolarHBondContact O-CB 3.4Å; R467-M471 PolarHBondContact O-N 3.14Å; R467-M471 VanDerWaalsContact O-N 3.12Å
468	R	45.4	Very low	43.5	Very low	159 Å²	159	117 Å²	117	60%	0.6	56%	0.557	S	S	*	*	H	α-helix	trans	-72.9	-43.3	170.2	-160.8	-171.6	-163.7	-115.2	8.4	109.7	L464 A465 E466 M471 E472	L464-R468 VanDerWaalsContact O-CB 3.23Å; L464-R468 WeakPolarHBondContact O-CB 3.35Å; L464-R468 PolarHBondContact O-N 3.19Å; A465-R468 CarbonylContact O-C 3.53Å; A465-R468 WeakPolarHBondContact O-CB 3.44Å; A465-R468 PolarHBondContact O-N 2.72Å; E466-R468 VanDerWaalsContact C-N 3.32Å; E466-R468 PolarHBondContact O-N 2.64Å; R468-M471 CarbonylContact O-C 3.48Å; R468-M471 WeakPolarHBondContact O-CB 3.24Å; R468-M471 PolarHBondContact O-N 3.44Å; R468-M471 VanDerWaalsContact O-N 3.16Å; R468-E472 HydrophobicContact CG-CG 4.37Å; R468-E472 IonicContact CZ-OE1 3.36Å; R468-E472 IonicContact NE-OE1 3.64Å; R468-E472 IonicContact NH1-OE1 3.37Å; R468-E472 PolarHBondContact NH1-OE1 3.05Å; R468-E472 IonicContact NH1-OE2 2.92Å; R468-E472 IonicContact NH2-OE1 3.18Å; R468-E472 VanDerWaalsContact O-CB 3.28Å; R468-E472 WeakPolarHBondContact O-CB 3.08Å; R468-E472 VanDerWaalsContact O-CG 3.22Å; R468-E472 WeakPolarHBondContact O-CG 3.38Å; R468-E472 PolarHBondContact O-N 3.35Å
469	M	43.3	Very low	43.2	Very low	123 Å²	123	119 Å²	119	61%	0.606	56%	0.558	S	S	*	*	H	α-helix	trans	-68.5	-40.7	174.8	-69.7	-168.6	-56.9	0	0	112.3	A465 E466 M471 E472 E473	A465-M469 WeakPolarHBondContact O-CG 3.45Å; A465-M469 PolarHBondContact O-N 2.9Å; E466-M469 PolarHBondContact O-N 2.99Å; M469-M471 PolarHBondContact O-N 3.48Å; M469-E472 PolarHBondContact O-N 2.89Å; M469-E473 VanDerWaalsContact O-CB 3.23Å; M469-E473 WeakPolarHBondContact O-CB 3.39Å; M469-E473 PolarHBondContact O-N 2.91Å
470	E	50.2	Low	43	Very low	122 Å²	122	119.5 Å²	119.5	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-60.2	-32.2	169.6	-77.1	-167.1	116.5	0	0	112.1	E466 R474	E466-E470 PolarHBondContact O-N 3.44Å; E470-R474 WeakPolarHBondContact O-CB 3.17Å; E470-R474 PolarHBondContact O-N 2.82Å
471	M	40.5	Very low	42.9	Very low	118 Å²	118	118.8 Å²	118.8	58%	0.581	56%	0.562	S	S	*	*	H	α-helix	trans	-80	-37.9	177.8	-174.2	172.2	-64.5	0	0	112.1	R467 R468 M469 R474 L475	R467-M471 WeakPolarHBondContact O-CB 3.4Å; R467-M471 PolarHBondContact O-N 3.14Å; R467-M471 VanDerWaalsContact O-N 3.12Å; R468-M471 CarbonylContact O-C 3.48Å; R468-M471 WeakPolarHBondContact O-CB 3.24Å; R468-M471 PolarHBondContact O-N 3.44Å; R468-M471 VanDerWaalsContact O-N 3.16Å; M469-M471 PolarHBondContact O-N 3.48Å; M471-R474 CarbonylContact O-C 3.6Å; M471-R474 PolarHBondContact O-N 3.37Å; M471-L475 HydrophobicContact CG-CD1 3.69Å; M471-L475 HydrophobicContact CG-CG 4.48Å; M471-L475 VanDerWaalsContact O-CB 3.26Å; M471-L475 WeakPolarHBondContact O-CB 3.27Å; M471-L475 VanDerWaalsContact O-CG 3.28Å; M471-L475 WeakPolarHBondContact O-CG 3.06Å; M471-L475 PolarHBondContact O-N 3.11Å
472	E	40	Very low	42.8	Very low	83 Å²	83	118.2 Å²	118.2	39%	0.388	55%	0.551	S	S	.	*	H	α-helix	trans	-74.1	-36.4	177.7	-74.5	167.8	155.5	0	0	111.5	R468 M469 R474 G476	R468-E472 HydrophobicContact CG-CG 4.37Å; R468-E472 IonicContact CZ-OE1 3.36Å; R468-E472 IonicContact NE-OE1 3.64Å; R468-E472 IonicContact NH1-OE1 3.37Å; R468-E472 PolarHBondContact NH1-OE1 3.05Å; R468-E472 IonicContact NH1-OE2 2.92Å; R468-E472 IonicContact NH2-OE1 3.18Å; R468-E472 VanDerWaalsContact O-CB 3.28Å; R468-E472 WeakPolarHBondContact O-CB 3.08Å; R468-E472 VanDerWaalsContact O-CG 3.22Å; R468-E472 WeakPolarHBondContact O-CG 3.38Å; R468-E472 PolarHBondContact O-N 3.35Å; M469-E472 PolarHBondContact O-N 2.89Å; E472-R474 VanDerWaalsContact C-N 3.28Å; E472-R474 PolarHBondContact O-N 2.87Å; E472-G476 WeakPolarHBondContact O-CA 3.49Å; E472-G476 PolarHBondContact O-N 3.02Å
473	E	41.3	Very low	42.5	Very low	159 Å²	159	118.4 Å²	118.4	74%	0.743	54%	0.543	S	S	*	.	H	α-helix	trans	-67.8	-30.4	171	-174	167.9	-135.1	0	0	111.8	M469	M469-E473 VanDerWaalsContact O-CB 3.23Å; M469-E473 WeakPolarHBondContact O-CB 3.39Å; M469-E473 PolarHBondContact O-N 2.91Å
474	R	40.2	Very low	42	Very low	213 Å²	213	120.8 Å²	120.8	80%	0.804	55%	0.552	S	S	*	*	H	α-helix	trans	-91	-9	-178.5	-160.8	172.4	-164.6	133.3	2.8	114.7	E470 M471 E472	E470-R474 WeakPolarHBondContact O-CB 3.17Å; E470-R474 PolarHBondContact O-N 2.82Å; M471-R474 CarbonylContact O-C 3.6Å; M471-R474 PolarHBondContact O-N 3.37Å; E472-R474 VanDerWaalsContact C-N 3.28Å; E472-R474 PolarHBondContact O-N 2.87Å
475	L	41.9	Very low	41.4	Very low	100 Å²	100	117 Å²	117	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-128.2	-29.4	179.4	-62.7	176.2	0	0	0	114.3	M471 R477	M471-L475 HydrophobicContact CG-CD1 3.69Å; M471-L475 HydrophobicContact CG-CG 4.48Å; M471-L475 VanDerWaalsContact O-CB 3.26Å; M471-L475 WeakPolarHBondContact O-CB 3.27Å; M471-L475 VanDerWaalsContact O-CG 3.28Å; M471-L475 WeakPolarHBondContact O-CG 3.06Å; M471-L475 PolarHBondContact O-N 3.11Å; L475-R477 PolarHBondContact O-N 3.41Å
476	G	40.3	Very low	41.3	Very low	49 Å²	49	118 Å²	118	51%	0.505	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	34.6	-151.1	0	0	0	0	0	117.7	E472	E472-G476 WeakPolarHBondContact O-CA 3.49Å; E472-G476 PolarHBondContact O-N 3.02Å
477	R	44.1	Very low	40.8	Very low	215 Å²	215	118.2 Å²	118.2	81%	0.811	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	6.3	175.7	-89.2	-157.6	-76.5	176.8	-6.9	119.2	L475	L475-R477 PolarHBondContact O-N 3.41Å
478	D	39.5	Very low	40.6	Very low	73 Å²	73	114.1 Å²	114.1	39%	0.39	52%	0.52	S	S	.	.	S	Bend	trans	-156	-37.3	158.8	-103.4	-44.6	0	0	0	113.3	R352 D480 L481 D482	R352-D478 IonicContact CZ-OD1 2.73Å; R352-D478 IonicContact NH1-OD1 3.64Å; R352-D478 PolarHBondContact NH1-OD1 2.91Å; R352-D478 IonicContact NH2-OD1 2.67Å; R352-D478 PolarHBondContact NH2-OD1 3.04Å; R352-D478 VanDerWaalsContact NH2-OD1 3.07Å; D478-D480 PolarHBondContact O-N 3.45Å; D478-D480 VanDerWaalsContact O-N 3.09Å; D478-L481 PolarHBondContact O-N 3.49Å; D478-D482 PolarHBondContact O-N 3.07Å
479	W	35.2	Very low	40.2	Very low	160 Å²	160	109 Å²	109	61%	0.606	50%	0.501	S	S	*	.	H	α-helix	trans	-56.8	-30.9	-163.5	-70.2	110.9	0	0	0	118.4	R483	W479-R483 VanDerWaalsContact O-CB 3.32Å; W479-R483 WeakPolarHBondContact O-CB 3.28Å; W479-R483 PolarHBondContact O-N 3.41Å; W479-R483 VanDerWaalsContact O-N 3.16Å; W479-R483 PolarHBondContact O-NH2 3.49Å
480	D	40.3	Very low	40.1	Very low	106 Å²	106	107.6 Å²	107.6	57%	0.567	50%	0.496	S	S	*	.	H	α-helix	trans	-91.1	-22.2	-173.2	-74.3	-7.9	0	0	0	113.6	D478 R483	D478-D480 PolarHBondContact O-N 3.45Å; D478-D480 VanDerWaalsContact O-N 3.09Å; D480-R483 IonicContact OD1-CZ 3.61Å; D480-R483 IonicContact OD1-NH1 2.71Å; D480-R483 PolarHBondContact OD1-NH1 3.14Å; D480-R483 IonicContact OD1-NH2 2.71Å; D480-R483 PolarHBondContact OD1-NH2 3.05Å
481	L	40.4	Very low	39.5	Very low	118 Å²	118	107 Å²	107	62%	0.618	49%	0.493	S	S	*	.	H	α-helix	trans	-71.9	-46.4	166.9	-80	166	0	0	0	109.9	D478 R483 R484 W485	D478-L481 PolarHBondContact O-N 3.49Å; L481-R483 PolarHBondContact O-N 2.67Å; L481-R484 WeakPolarHBondContact O-CB 3.32Å; L481-R484 PolarHBondContact O-N 2.79Å; L481-R484 VanDerWaalsContact O-N 3.14Å; L481-W485 PolarHBondContact O-N 2.75Å
482	D	38.3	Very low	39.6	Very low	21 Å²	21	105.3 Å²	105.3	11%	0.112	49%	0.486	C	S	.	.	H	α-helix	trans	-69.7	-35.7	-174.8	-141.5	45.1	0	0	0	112.4	E344 D478 R484 W485 N486	E344-D482 WeakPolarHBondContact CG-OD2 3.06Å; D478-D482 PolarHBondContact O-N 3.07Å; D482-R484 VanDerWaalsContact C-N 3.29Å; D482-R484 PolarHBondContact O-N 3.36Å; D482-W485 WeakPolarHBondContact O-CB 3.43Å; D482-W485 PolarHBondContact O-N 2.83Å; D482-N486 PolarHBondContact O-N 2.81Å; D482-N486 VanDerWaalsContact O-N 3.11Å; D482-N486 PolarHBondContact O-ND2 3.18Å
483	R	37.5	Very low	39.6	Very low	126 Å²	126	107 Å²	107	48%	0.475	49%	0.489	S	S	.	.	H	α-helix	trans	-68.5	-27	172.7	-158.2	-177.9	-47.8	104.2	11	113	W479 D480 L481 Q487	W479-R483 VanDerWaalsContact O-CB 3.32Å; W479-R483 WeakPolarHBondContact O-CB 3.28Å; W479-R483 PolarHBondContact O-N 3.41Å; W479-R483 VanDerWaalsContact O-N 3.16Å; W479-R483 PolarHBondContact O-NH2 3.49Å; D480-R483 IonicContact OD1-CZ 3.61Å; D480-R483 IonicContact OD1-NH1 2.71Å; D480-R483 PolarHBondContact OD1-NH1 3.14Å; D480-R483 IonicContact OD1-NH2 2.71Å; D480-R483 PolarHBondContact OD1-NH2 3.05Å; L481-R483 PolarHBondContact O-N 2.67Å; R483-Q487 WeakPolarHBondContact O-CG 3.31Å
484	R	40.7	Very low	39.4	Very low	173 Å²	173	109.6 Å²	109.6	65%	0.653	49%	0.492	S	S	*	.	H	α-helix	trans	-77.9	-41.3	173	-170.3	177.1	-178.3	-178.1	1.1	111.4	L481 D482 N486 Q487 D488	L481-R484 WeakPolarHBondContact O-CB 3.32Å; L481-R484 PolarHBondContact O-N 2.79Å; L481-R484 VanDerWaalsContact O-N 3.14Å; D482-R484 VanDerWaalsContact C-N 3.29Å; D482-R484 PolarHBondContact O-N 3.36Å; R484-N486 VanDerWaalsContact C-N 3.34Å; R484-N486 PolarHBondContact O-N 3.14Å; R484-Q487 PolarHBondContact O-N 3.5Å; R484-D488 IonicContact NE-OD2 2.7Å; R484-D488 PolarHBondContact O-N 2.87Å
485	W	34.8	Very low	39	Very low	26 Å²	26	107.7 Å²	107.7	10%	0.098	49%	0.485	C	S	.	.	H	α-helix	trans	-49.4	-55.2	173.2	-162.3	97.9	0	0	0	110.4	H336 C339 A340 Y359 L481 D482 Q487 W489	H336-W485 AromaticContact CE1-CE3 3.62Å; H336-W485 AromaticContact CE1-CH2 3.43Å; H336-W485 VanDerWaalsContact CE1-CH2 3.43Å; H336-W485 WeakPolarHBondContact CE1-CH2 3.42Å; H336-W485 AromaticContact CE1-CZ3 3.04Å; H336-W485 WeakPolarHBondContact CE1-CZ3 3.47Å; H336-W485 AromaticContact ND1-CH2 3.47Å; H336-W485 WeakPolarHBondContact ND1-CH2 3.47Å; H336-W485 AromaticContact ND1-CZ3 3.56Å; H336-W485 AromaticContact NE2-CZ3 3.48Å; H336-W485 WeakPolarHBondContact NE2-CZ3 3.43Å; C339-W485 HydrophobicContact CB-CH2 3.92Å; C339-W485 HydrophobicContact CB-CZ2 4.4Å; A340-W485 HydrophobicContact CB-CE3 4.49Å; A340-W485 HydrophobicContact CB-CZ3 3.86Å; Y359-W485 AromaticContact CE2-CD1 3.54Å; Y359-W485 AromaticContact CE2-NE1 3.85Å; Y359-W485 AromaticContact CZ-CD1 3.72Å; Y359-W485 VanDerWaalsContact OH-CG 3.3Å; Y359-W485 PolarHBondContact OH-NE1 2.81Å; L481-W485 PolarHBondContact O-N 2.75Å; D482-W485 WeakPolarHBondContact O-CB 3.43Å; D482-W485 PolarHBondContact O-N 2.83Å; W485-Q487 VanDerWaalsContact C-N 3.25Å; W485-Q487 PolarHBondContact O-N 3.12Å; W485-Q487 VanDerWaalsContact O-N 3.16Å; W485-W489 AromaticContact CD2-NE1 3.94Å; W485-W489 AromaticContact CE2-NE1 3.62Å; W485-W489 HydrophobicContact CZ2-CZ2 4.42Å; W485-W489 AromaticContact CZ2-NE1 3.88Å; W485-W489 AromaticContact NE1-NE1 3.86Å; W485-W489 VanDerWaalsContact O-CD1 3.29Å
486	N	40.4	Very low	38.9	Very low	65 Å²	65	105.9 Å²	105.9	35%	0.348	48%	0.476	S	S	.	.	H	α-helix	trans	-65.6	-15.6	-179.7	-74.6	-76.2	0	0	0	115.4	D482 R484	D482-N486 PolarHBondContact O-N 2.81Å; D482-N486 VanDerWaalsContact O-N 3.11Å; D482-N486 PolarHBondContact O-ND2 3.18Å; R484-N486 VanDerWaalsContact C-N 3.34Å; R484-N486 PolarHBondContact O-N 3.14Å
487	Q	34.4	Very low	38.9	Very low	127 Å²	127	110.4 Å²	110.4	59%	0.593	48%	0.483	S	S	*	.	H	α-helix	trans	-101.9	-25	-176.2	-72.7	-176.1	4.5	0	0	114.7	R483 R484 W485 Q491	R483-Q487 WeakPolarHBondContact O-CG 3.31Å; R484-Q487 PolarHBondContact O-N 3.5Å; W485-Q487 VanDerWaalsContact C-N 3.25Å; W485-Q487 PolarHBondContact O-N 3.12Å; W485-Q487 VanDerWaalsContact O-N 3.16Å; Q487-Q491 PolarHBondContact O-NE2 2.91Å
488	D	43.6	Very low	38.8	Very low	60 Å²	60	105 Å²	105	32%	0.321	47%	0.471	S	S	.	.	H	α-helix	trans	-89.5	-31.3	179.1	-75.9	-29.4	0	0	0	112.9	R484 D490 Q491 N492	R484-D488 IonicContact NE-OD2 2.7Å; R484-D488 PolarHBondContact O-N 2.87Å; D488-D490 PolarHBondContact O-N 3.36Å; D488-Q491 WeakPolarHBondContact O-CB 3.38Å; D488-Q491 PolarHBondContact O-N 3.25Å; D488-Q491 PolarHBondContact OD1-NE2 3.36Å; D488-N492 PolarHBondContact O-N 2.82Å
489	W	38.1	Very low	38.6	Very low	53 Å²	53	107.1 Å²	107.1	20%	0.201	47%	0.474	C	S	.	.	H	α-helix	trans	-61.9	-39	179.6	-88.7	90.5	0	0	0	114.1	H311 H336 Y359 W485 Q491 R493	H311-W489 HydrophobicContact CB-CH2 4.17Å; H311-W489 HydrophobicContact CB-CZ3 4.14Å; H311-W489 AromaticContact CD2-CH2 3.52Å; H311-W489 AromaticContact CD2-CZ3 3.52Å; H311-W489 AromaticContact CE1-CH2 3.43Å; H311-W489 VanDerWaalsContact CE1-CH2 3.43Å; H311-W489 WeakPolarHBondContact CE1-CH2 3.33Å; H311-W489 AromaticContact CE1-CZ2 3.62Å; H311-W489 AromaticContact CG-CH2 3.47Å; H311-W489 VanDerWaalsContact CG-CH2 3.47Å; H311-W489 AromaticContact CG-CZ3 3.71Å; H311-W489 AromaticContact ND1-CH2 3.42Å; H311-W489 WeakPolarHBondContact ND1-CH2 3.21Å; H311-W489 AromaticContact NE2-CH2 3.5Å; H311-W489 AromaticContact NE2-CZ2 3.74Å; H311-W489 AromaticContact NE2-CZ3 3.88Å; H336-W489 WeakPolarHBondContact CE1-CB 3.29Å; H336-W489 AromaticContact CE1-CD1 3.5Å; H336-W489 AromaticContact CE1-CD2 3.57Å; H336-W489 AromaticContact CE1-CG 3.22Å; H336-W489 AromaticContact CE1-NE1 3.95Å; H336-W489 AromaticContact ND1-CD2 3.52Å; H336-W489 AromaticContact ND1-CE2 3.91Å; H336-W489 AromaticContact ND1-CE3 3.75Å; H336-W489 AromaticContact ND1-CG 3.7Å; Y359-W489 AromaticContact CZ-NE1 3.74Å; Y359-W489 PolarHBondContact OH-NE1 3.05Å; W485-W489 AromaticContact CD2-NE1 3.94Å; W485-W489 AromaticContact CE2-NE1 3.62Å; W485-W489 HydrophobicContact CZ2-CZ2 4.42Å; W485-W489 AromaticContact CZ2-NE1 3.88Å; W485-W489 AromaticContact NE1-NE1 3.86Å; W485-W489 VanDerWaalsContact O-CD1 3.29Å; W489-Q491 PolarHBondContact O-N 3.03Å; W489-R493 PolarHBondContact O-N 3.29Å
490	D	40.3	Very low	38.9	Very low	93 Å²	93	104.4 Å²	104.4	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-69.8	-21.2	176.2	-100.1	18.5	0	0	0	112.5	D488 R493	D488-D490 PolarHBondContact O-N 3.36Å; D490-R493 IonicContact OD1-CZ 3.11Å; D490-R493 IonicContact OD1-NH1 2.64Å; D490-R493 PolarHBondContact OD1-NH1 3.35Å; D490-R493 IonicContact OD1-NH2 3.87Å; D490-R493 PolarHBondContact OD1-NH2 3.04Å
491	Q	38	Very low	39	Very low	110 Å²	110	107.9 Å²	107.9	51%	0.514	48%	0.476	S	S	.	.	H	α-helix	trans	-83.6	-42.5	174.3	-67.8	-178.8	86.9	0	0	111.9	Q487 D488 W489 R493 R494 W495	Q487-Q491 PolarHBondContact O-NE2 2.91Å; D488-Q491 WeakPolarHBondContact O-CB 3.38Å; D488-Q491 PolarHBondContact O-N 3.25Å; D488-Q491 PolarHBondContact OD1-NE2 3.36Å; W489-Q491 PolarHBondContact O-N 3.03Å; Q491-R493 PolarHBondContact O-N 2.92Å; Q491-R494 WeakPolarHBondContact O-CB 3.26Å; Q491-R494 PolarHBondContact O-N 2.82Å; Q491-W495 PolarHBondContact O-N 3.18Å; Q491-W495 VanDerWaalsContact O-N 3.16Å
492	N	41.7	Very low	38.9	Very low	82 Å²	82	108.4 Å²	108.4	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-57.8	-47	174	-97.9	28.5	0	0	0	111.4	D488 R494 W495 D496	D488-N492 PolarHBondContact O-N 2.82Å; N492-R494 PolarHBondContact O-N 3.05Å; N492-W495 WeakPolarHBondContact O-CA 3.48Å; N492-W495 PolarHBondContact O-N 2.64Å; N492-D496 VanDerWaalsContact C-OD2 3.23Å; N492-D496 PolarHBondContact O-N 2.91Å
493	R	40.3	Very low	38.9	Very low	119 Å²	119	111.3 Å²	111.3	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-55.3	-17.9	177	-155.8	-169.8	-54.5	118.1	11.3	114	W489 D490 Q491	W489-R493 PolarHBondContact O-N 3.29Å; D490-R493 IonicContact OD1-CZ 3.11Å; D490-R493 IonicContact OD1-NH1 2.64Å; D490-R493 PolarHBondContact OD1-NH1 3.35Å; D490-R493 IonicContact OD1-NH2 3.87Å; D490-R493 PolarHBondContact OD1-NH2 3.04Å; Q491-R493 PolarHBondContact O-N 2.92Å
494	R	36.8	Very low	39.3	Very low	213 Å²	213	112.5 Å²	112.5	80%	0.804	50%	0.497	S	S	*	.	H	α-helix	trans	-95	-29.4	175.8	-133.7	178.1	-169.8	172.8	4.4	113.7	Q491 N492	Q491-R494 WeakPolarHBondContact O-CB 3.26Å; Q491-R494 PolarHBondContact O-N 2.82Å; N492-R494 PolarHBondContact O-N 3.05Å
495	W	32.3	Very low	39.3	Very low	173 Å²	173	110.6 Å²	110.6	66%	0.655	50%	0.5	S	S	*	.	H	α-helix	trans	-76.2	-43.9	171.9	-92.2	93.6	0	0	0	112	Q491 N492 Q497 D498 W499	Q491-W495 PolarHBondContact O-N 3.18Å; Q491-W495 VanDerWaalsContact O-N 3.16Å; N492-W495 WeakPolarHBondContact O-CA 3.48Å; N492-W495 PolarHBondContact O-N 2.64Å; W495-Q497 VanDerWaalsContact C-N 3.26Å; W495-Q497 PolarHBondContact O-N 2.77Å; W495-D498 PolarHBondContact O-N 3.49Å; W495-W499 PolarHBondContact O-N 2.71Å
496	D	40.2	Very low	39.6	Very low	62 Å²	62	112.4 Å²	112.4	33%	0.332	51%	0.512	S	S	.	.	H	α-helix	trans	-61.4	-34.2	-172.9	-58.8	-32	0	0	0	112.3	N492 D498 W499 D500	N492-D496 VanDerWaalsContact C-OD2 3.23Å; N492-D496 PolarHBondContact O-N 2.91Å; D496-D498 VanDerWaalsContact C-N 3.3Å; D496-D498 PolarHBondContact O-N 3.02Å; D496-W499 PolarHBondContact O-N 3.47Å; D496-W499 VanDerWaalsContact O-N 3.17Å; D496-D500 PolarHBondContact O-N 3.3Å
497	Q	40.9	Very low	39.6	Very low	143 Å²	143	120.8 Å²	120.8	67%	0.668	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-28	176.4	-67.1	-176.6	9.5	0	0	113.8	W495	W495-Q497 VanDerWaalsContact C-N 3.26Å; W495-Q497 PolarHBondContact O-N 2.77Å
498	D	40.9	Very low	39.9	Very low	103 Å²	103	118.4 Å²	118.4	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-92.7	-25.3	171	-106.2	-10.7	0	0	0	111.6	W495 D496 R501 Y502	W495-D498 PolarHBondContact O-N 3.49Å; D496-D498 VanDerWaalsContact C-N 3.3Å; D496-D498 PolarHBondContact O-N 3.02Å; D498-R501 WeakPolarHBondContact O-CB 3.47Å; D498-R501 PolarHBondContact O-N 2.81Å; D498-R501 IonicContact OD1-NH1 3.57Å; D498-Y502 PolarHBondContact O-N 3.07Å
499	W	35	Very low	39.7	Very low	117 Å²	117	122.1 Å²	122.1	44%	0.443	57%	0.568	S	S	.	*	H	α-helix	trans	-71.5	-43.9	176.9	-124.8	110.7	0	0	0	112.7	W495 D496 R501 Y502 N503	W495-W499 PolarHBondContact O-N 2.71Å; D496-W499 PolarHBondContact O-N 3.47Å; D496-W499 VanDerWaalsContact O-N 3.17Å; W499-R501 PolarHBondContact O-N 3.25Å; W499-Y502 HydrophobicContact CZ3-CD1 4.36Å; W499-Y502 CarbonylContact O-C 3.59Å; W499-Y502 WeakPolarHBondContact O-CA 3.35Å; W499-Y502 WeakPolarHBondContact O-CB 3.17Å; W499-Y502 PolarHBondContact O-N 3.4Å; W499-N503 HydrophobicContact CE3-CB 4.05Å; W499-N503 HydrophobicContact CZ3-CB 4.14Å; W499-N503 WeakPolarHBondContact O-CB 3.39Å; W499-N503 PolarHBondContact O-N 3.02Å
500	D	42.4	Very low	39.7	Very low	103 Å²	103	127.1 Å²	127.1	55%	0.551	59%	0.588	S	S	*	*	H	α-helix	trans	-59.1	-38.1	172.7	-102.1	-20	0	0	0	111.4	D496 Y502 N503 Q504	D496-D500 PolarHBondContact O-N 3.3Å; D500-Y502 VanDerWaalsContact C-N 3.28Å; D500-Y502 PolarHBondContact O-N 2.88Å; D500-N503 PolarHBondContact O-N 3.14Å; D500-Q504 WeakPolarHBondContact O-CG 3.37Å; D500-Q504 PolarHBondContact O-N 2.99Å; D500-Q504 VanDerWaalsContact O-N 3.12Å
501	R	41.7	Very low	39.4	Very low	178 Å²	178	128.6 Å²	128.6	67%	0.672	60%	0.595	S	S	*	*	H	α-helix	trans	-65.5	-30.5	175.4	-159.5	-176.1	-162.6	-178.8	6.7	112.5	D498 W499 N505	D498-R501 WeakPolarHBondContact O-CB 3.47Å; D498-R501 PolarHBondContact O-N 2.81Å; D498-R501 IonicContact OD1-NH1 3.57Å; W499-R501 PolarHBondContact O-N 3.25Å; R501-N505 PolarHBondContact O-ND2 3.16Å
502	Y	37.9	Very low	39.4	Very low	130 Å²	130	129 Å²	129	51%	0.51	61%	0.606	S	S	.	*	H	α-helix	trans	-78.5	-43.9	173.3	-166.5	-100.6	0	0	0	111.9	D498 W499 D500 Q504 N505 N506	D498-Y502 PolarHBondContact O-N 3.07Å; W499-Y502 HydrophobicContact CZ3-CD1 4.36Å; W499-Y502 CarbonylContact O-C 3.59Å; W499-Y502 WeakPolarHBondContact O-CA 3.35Å; W499-Y502 WeakPolarHBondContact O-CB 3.17Å; W499-Y502 PolarHBondContact O-N 3.4Å; D500-Y502 VanDerWaalsContact C-N 3.28Å; D500-Y502 PolarHBondContact O-N 2.88Å; Y502-Q504 PolarHBondContact O-N 3.17Å; Y502-N505 PolarHBondContact O-N 3.09Å; Y502-N505 VanDerWaalsContact O-N 3.15Å; Y502-N506 WeakPolarHBondContact CE1-ND2 3.44Å; Y502-N506 PolarHBondContact O-N 3.48Å; Y502-N506 PolarHBondContact OH-ND2 3.19Å
503	N	38.5	Very low	39.1	Very low	81 Å²	81	134.7 Å²	134.7	43%	0.433	62%	0.621	S	S	.	*	H	α-helix	trans	-70	-35.9	-171.5	-150.4	0.2	0	0	0	112.7	W499 D500 N505 N506	W499-N503 HydrophobicContact CE3-CB 4.05Å; W499-N503 HydrophobicContact CZ3-CB 4.14Å; W499-N503 WeakPolarHBondContact O-CB 3.39Å; W499-N503 PolarHBondContact O-N 3.02Å; D500-N503 PolarHBondContact O-N 3.14Å; N503-N505 PolarHBondContact O-N 3.46Å; N503-N506 PolarHBondContact O-N 3.02Å
504	Q	47.4	Very low	38.9	Very low	152 Å²	152	134.2 Å²	134.2	71%	0.71	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-25.9	173.3	-72.1	179.4	31.1	0	0	113.3	D500 Y502	D500-Q504 WeakPolarHBondContact O-CG 3.37Å; D500-Q504 PolarHBondContact O-N 2.99Å; D500-Q504 VanDerWaalsContact O-N 3.12Å; Y502-Q504 PolarHBondContact O-N 3.17Å
505	N	39.4	Very low	39.1	Very low	132 Å²	132	128 Å²	128	71%	0.706	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-20.6	-177.2	-72.2	-62.3	0	0	0	114.2	R501 Y502 N503	R501-N505 PolarHBondContact O-ND2 3.16Å; Y502-N505 PolarHBondContact O-N 3.09Å; Y502-N505 VanDerWaalsContact O-N 3.15Å; N503-N505 PolarHBondContact O-N 3.46Å
506	N	40.9	Very low	39.3	Very low	65 Å²	65	130.5 Å²	130.5	35%	0.348	62%	0.619	S	S	.	*			trans	-110.4	33.1	-171.3	-87.2	-35.2	0	0	0	114.4	Y502 N503 G508	Y502-N506 WeakPolarHBondContact CE1-ND2 3.44Å; Y502-N506 PolarHBondContact O-N 3.48Å; Y502-N506 PolarHBondContact OH-ND2 3.19Å; N503-N506 PolarHBondContact O-N 3.02Å; N506-G508 PolarHBondContact O-N 2.87Å
507	R	40.5	Very low	38.9	Very low	241 Å²	241	135.5 Å²	135.5	91%	0.909	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	31.1	-170.2	-146.9	-177.4	-162.2	178.5	7.2	116.2
508	G	41.1	Very low	38.7	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.4	16.7	-170.6	0	0	0	0	0	119.6	N506	N506-G508 PolarHBondContact O-N 2.87Å
509	N	40.2	Very low	38.5	Very low	137 Å²	137	135.7 Å²	135.7	73%	0.733	64%	0.635	S	S	*	*			trans	-151.4	92.5	175.2	-171.2	34.5	0	0	0	115
510	Y	37.9	Very low	38.7	Very low	159 Å²	159	131.8 Å²	131.8	62%	0.624	63%	0.63	S	S	*	*			trans	-139.2	135	161.5	-70.7	-73.3	0	0	0	109.9
511	D	33.4	Very low	39.3	Very low	123 Å²	123	129.8 Å²	129.8	66%	0.658	62%	0.618	S	S	*	*			trans	-79.1	126.2	-166.8	-133.7	-27.2	0	0	0	112	R513	D511-R513 PolarHBondContact O-N 3.2Å
512	T	37.4	Very low	40.1	Very low	119 Å²	119	123.4 Å²	123.4	73%	0.73	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	42	-174	46.7	0	0	0	0	114	D515	T512-D515 WeakPolarHBondContact CA-OD2 3.38Å
513	R	35	Very low	41.6	Very low	201 Å²	201	117.5 Å²	117.5	76%	0.758	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-21.5	-177	-79.5	-179.6	163.1	167.6	-3.5	114.7	D511	D511-R513 PolarHBondContact O-N 3.2Å
514	N	37	Very low	43.2	Very low	109 Å²	109	115.3 Å²	115.3	58%	0.583	56%	0.562	S	S	*	*	S	Bend	trans	-90.8	-16.2	-178.9	-91.4	9	0	0	0	114.7	R516 F517 F518	N514-R516 PolarHBondContact O-N 3.21Å; N514-F517 PolarHBondContact O-N 3.14Å; N514-F517 VanDerWaalsContact O-N 3.13Å; N514-F518 HydrophobicContact CB-CE2 4.49Å
515	D	40.4	Very low	44.8	Very low	84 Å²	84	108.3 Å²	108.3	45%	0.449	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.1	-171.1	-52.3	-67.7	0	0	0	114.7	T512	T512-D515 WeakPolarHBondContact CA-OD2 3.38Å
516	R	36.3	Very low	47.1	Very low	224 Å²	224	102.1 Å²	102.1	85%	0.845	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.5	177.7	-64.9	-172.6	-176.3	-177.1	1.7	115	N514	N514-R516 PolarHBondContact O-N 3.21Å
517	F	32.5	Very low	49.5	Very low	167 Å²	167	99 Å²	99	73%	0.732	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-28.7	-179.3	-83.2	-83.6	0	0	0	113.4	N514	N514-F517 PolarHBondContact O-N 3.14Å; N514-F517 VanDerWaalsContact O-N 3.13Å
518	F	37.3	Very low	52.1	Low	98 Å²	98	87.6 Å²	87.6	43%	0.43	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-91	2.1	-171.7	-65.4	-75.3	0	0	0	115.6	N514 G520 E521	N514-F518 HydrophobicContact CB-CE2 4.49Å; F518-G520 PolarHBondContact O-N 3.39Å; F518-G520 VanDerWaalsContact O-N 3.13Å; F518-E521 WeakPolarHBondContact CD1-OE2 3.47Å; F518-E521 PolarHBondContact O-N 3.13Å
519	Q	37.1	Very low	54.7	Low	153 Å²	153	84 Å²	84	72%	0.715	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-67.5	-10.6	179.6	-73.8	-168.2	-42	0	0	114.2
520	G	38.3	Very low	57.3	Low	34 Å²	34	77.5 Å²	77.5	35%	0.351	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-92	-18.6	178.2	0	0	0	0	0	115.8	F518	F518-G520 PolarHBondContact O-N 3.39Å; F518-G520 VanDerWaalsContact O-N 3.13Å
521	E	54.2	Low	60.1	Low	61 Å²	61	72.5 Å²	72.5	29%	0.285	35%	0.345	S	S	.	.	S	Bend	trans	-109.1	9.7	-166.6	-64.1	177.3	149.1	0	0	113.6	Y362 L407 F518	Y362-E521 VanDerWaalsContact CE1-O 3.31Å; Y362-E521 WeakPolarHBondContact CE1-O 3.22Å; L407-E521 HydrophobicContact CD1-CG 3.61Å; F518-E521 WeakPolarHBondContact CD1-OE2 3.47Å; F518-E521 PolarHBondContact O-N 3.13Å
522	M	60.5	Low	63	Low	44 Å²	44	68.8 Å²	68.8	22%	0.217	33%	0.332	C	S	.	.			trans	-71.3	129.2	-174.4	-64.9	-177.5	-71.5	0	0	111.3	F365 I524 R541	F365-M522 HydrophobicContact CD1-CB 4.48Å; F365-M522 HydrophobicContact CD1-CG 3.94Å; F365-M522 HydrophobicContact CE1-CG 3.77Å; M522-I524 PolarHBondContact O-N 3.19Å; M522-R541 PolarHBondContact SD-NH1 3.1Å
523	P	68	Low	65.6	Low	6 Å²	6	66.6 Å²	66.6	4%	0.039	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	127.5	172.2	25.7	-33	0	0	0	110.3	Y362 F365 I402 Y403 I404	Y362-P523 HydrophobicContact CD1-CG 4.12Å; F365-P523 HydrophobicContact CB-CG 3.67Å; F365-P523 HydrophobicContact CG-CG 4.44Å; I402-P523 HydrophobicContact CG2-CB 3.75Å; Y403-P523 CarbonylContact O-C 3.6Å; Y403-P523 WeakPolarHBondContact O-CA 3.37Å; I404-P523 HydrophobicContact CG1-CB 4.25Å
524	I	72.8	Confident	68.3	Low	36 Å²	36	60.4 Å²	60.4	19%	0.185	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.8	176.4	-60.4	168.4	0	0	0	107.9	I402 Y403 M522	I402-I524 CarbonylContact C-O 3.5Å; I402-I524 WeakPolarHBondContact CA-O 3.17Å; Y403-I524 HydrophobicContact CD1-CB 4.39Å; Y403-I524 WeakPolarHBondContact CD1-O 3.06Å; Y403-I524 HydrophobicContact CE1-CB 3.86Å; Y403-I524 HydrophobicContact CE1-CG2 3.76Å; Y403-I524 HydrophobicContact CE2-CB 4.18Å; Y403-I524 HydrophobicContact CE2-CD1 4.21Å; Y403-I524 PolarHBondContact N-O 3.21Å; Y403-I524 PolarHBondContact O-N 3.06Å; M522-I524 PolarHBondContact O-N 3.19Å
525	Q	81.1	Confident	71	Confident	5 Å²	5	55.5 Å²	55.5	2%	0.023	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.6	165.8	-177	170.7	32.2	0	0	107.9	L369 Y370 T399 G400 I402 L540	L369-Q525 HydrophobicContact CD1-CB 4.48Å; L369-Q525 HydrophobicContact CD2-CB 4.08Å; Y370-Q525 VanDerWaalsContact CE1-OE1 3.29Å; Y370-Q525 PolarHBondContact OH-OE1 3.09Å; T399-Q525 PolarHBondContact OG1-NE2 3.02Å; G400-Q525 PolarHBondContact O-NE2 3.03Å; I402-Q525 HydrophobicContact CG1-CB 4.17Å; I402-Q525 HydrophobicContact CG1-CG 4.25Å; Q525-L540 HydrophobicContact CG-CD2 4.48Å; Q525-L540 WeakPolarHBondContact O-CB 3.4Å; Q525-L540 PolarHBondContact O-N 2.69Å
526	S	87.1	Confident	73.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150	173.6	-63.9	0	0	0	0	111.1	G400 R537 V538 D546	G400-S526 VanDerWaalsContact CA-O 3.28Å; G400-S526 WeakPolarHBondContact CA-O 3.17Å; G400-S526 PolarHBondContact N-O 3.42Å; S526-R537 VanDerWaalsContact CB-CG 3.45Å; S526-V538 CarbonylContact C-O 3.56Å; S526-V538 WeakPolarHBondContact CA-O 3.17Å; S526-V538 WeakPolarHBondContact CB-O 3.44Å; S526-D546 PolarHBondContact OG-OD2 2.98Å
527	V	92.3	Very high	76.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.5	172.3	-178.4	0	0	0	0	109.1	F304 F529 V538 L540	F304-V527 HydrophobicContact CD1-CG1 3.76Å; F304-V527 HydrophobicContact CD2-CG1 4.48Å; F304-V527 HydrophobicContact CD2-CG2 4.41Å; F304-V527 HydrophobicContact CE1-CG1 3.62Å; F304-V527 HydrophobicContact CE1-CG2 4.39Å; F304-V527 HydrophobicContact CE2-CG1 4.38Å; F304-V527 HydrophobicContact CE2-CG2 3.89Å; F304-V527 HydrophobicContact CG-CG1 4.2Å; F304-V527 HydrophobicContact CZ-CG1 3.97Å; F304-V527 HydrophobicContact CZ-CG2 3.88Å; V527-F529 HydrophobicContact CB-CD2 4.43Å; V527-F529 HydrophobicContact CB-CE2 3.81Å; V527-F529 HydrophobicContact CB-CZ 4.34Å; V527-F529 HydrophobicContact CG1-CD2 4.01Å; V527-F529 HydrophobicContact CG1-CE1 4.3Å; V527-F529 HydrophobicContact CG1-CE2 3.49Å; V527-F529 VanDerWaalsContact CG1-CE2 3.49Å; V527-F529 HydrophobicContact CG1-CZ 3.67Å; V527-V538 PolarHBondContact N-O 2.92Å; V527-V538 PolarHBondContact O-N 3.02Å; V527-L540 HydrophobicContact CG2-CB 4.42Å; V527-L540 HydrophobicContact CG2-CD1 3.96Å
528	Y	93.7	Very high	78.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.3	175.2	-67.1	-74.7	0	0	0	110.1	G89 D90 T91 A397 M398 Y535 Y536 R537 W560	G89-Y528 VanDerWaalsContact C-OH 3.26Å; G89-Y528 PolarHBondContact O-OH 2.96Å; D90-Y528 PolarHBondContact OD2-OH 2.7Å; T91-Y528 WeakPolarHBondContact OG1-CE2 3.35Å; A397-Y528 CarbonylContact C-O 3.53Å; A397-Y528 VanDerWaalsContact CA-O 3.24Å; A397-Y528 WeakPolarHBondContact CA-O 3.39Å; M398-Y528 PolarHBondContact N-O 3.4Å; M398-Y528 PolarHBondContact O-N 3.03Å; Y528-Y535 AromaticContact CD1-CD2 3.85Å; Y528-Y535 HydrophobicContact CD1-CD2 3.85Å; Y528-Y535 AromaticContact CD1-CE2 3.96Å; Y528-Y535 HydrophobicContact CD1-CE2 3.96Å; Y528-Y535 HydrophobicContact CE1-CD2 4.37Å; Y528-Y535 HydrophobicContact CE1-CE2 4.01Å; Y528-Y536 WeakPolarHBondContact CA-O 3.43Å; Y528-R537 HydrophobicContact CD1-CB 4.11Å; Y528-R537 HydrophobicContact CD1-CG 4.14Å; Y528-R537 HydrophobicContact CE1-CB 3.64Å; Y528-R537 HydrophobicContact CE1-CG 3.43Å; Y528-R537 VanDerWaalsContact CE1-CG 3.43Å; Y528-R537 WeakPolarHBondContact OH-CD 3.35Å; Y528-W560 HydrophobicContact CD1-CH2 4.4Å; Y528-W560 AromaticContact CD1-CZ2 3.66Å; Y528-W560 HydrophobicContact CD1-CZ2 3.66Å; Y528-W560 HydrophobicContact CD2-CH2 4.21Å; Y528-W560 HydrophobicContact CD2-CZ2 4.27Å; Y528-W560 HydrophobicContact CE1-CZ2 4.1Å; Y528-W560 HydrophobicContact CG-CH2 4.06Å; Y528-W560 AromaticContact CG-CZ2 3.74Å; Y528-W560 HydrophobicContact CG-CZ2 3.74Å
529	F	96.6	Very high	81.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.1	176.6	-67.6	-86.4	0	0	0	109.5	F304 F320 W387 L390 V394 A397 V527 Y535 Y536 V538	F304-F529 HydrophobicContact CE1-CE1 4.13Å; F304-F529 AromaticContact CE1-CZ 3.88Å; F304-F529 HydrophobicContact CE1-CZ 3.88Å; F320-F529 HydrophobicContact CD1-CE1 4.35Å; F320-F529 HydrophobicContact CD2-CE1 4.42Å; F320-F529 AromaticContact CE1-CE1 3.76Å; F320-F529 HydrophobicContact CE1-CE1 3.76Å; F320-F529 HydrophobicContact CE1-CZ 4.24Å; F320-F529 AromaticContact CE2-CE1 3.85Å; F320-F529 HydrophobicContact CE2-CE1 3.85Å; F320-F529 HydrophobicContact CE2-CZ 4.46Å; F320-F529 AromaticContact CZ-CE1 3.51Å; F320-F529 HydrophobicContact CZ-CE1 3.51Å; F320-F529 AromaticContact CZ-CZ 3.85Å; F320-F529 HydrophobicContact CZ-CZ 3.85Å; W387-F529 HydrophobicContact CD2-CZ 4.32Å; W387-F529 HydrophobicContact CE3-CE2 4.19Å; W387-F529 HydrophobicContact CE3-CZ 4.23Å; W387-F529 HydrophobicContact CH2-CZ 4.23Å; W387-F529 HydrophobicContact CZ2-CZ 4.35Å; W387-F529 HydrophobicContact CZ3-CE2 4.15Å; W387-F529 HydrophobicContact CZ3-CZ 4.17Å; L390-F529 HydrophobicContact CD1-CB 3.59Å; L390-F529 HydrophobicContact CD1-CD1 4.5Å; L390-F529 HydrophobicContact CD1-CD2 4.13Å; L390-F529 HydrophobicContact CD1-CG 3.85Å; L390-F529 HydrophobicContact CD2-CB 4.38Å; L390-F529 HydrophobicContact CD2-CD1 3.8Å; L390-F529 HydrophobicContact CD2-CD2 3.78Å; L390-F529 HydrophobicContact CD2-CE1 3.9Å; L390-F529 HydrophobicContact CD2-CE2 3.87Å; L390-F529 HydrophobicContact CD2-CG 3.73Å; L390-F529 HydrophobicContact CD2-CZ 3.92Å; L390-F529 HydrophobicContact CG-CG 4.47Å; V394-F529 HydrophobicContact CB-CD1 4.34Å; V394-F529 HydrophobicContact CG1-CB 4.19Å; V394-F529 HydrophobicContact CG1-CD1 4.08Å; V394-F529 HydrophobicContact CG1-CG 4.5Å; V394-F529 HydrophobicContact CG2-CD1 4.12Å; A397-F529 HydrophobicContact CB-CD1 3.74Å; A397-F529 HydrophobicContact CB-CE1 3.94Å; V527-F529 HydrophobicContact CB-CD2 4.43Å; V527-F529 HydrophobicContact CB-CE2 3.81Å; V527-F529 HydrophobicContact CB-CZ 4.34Å; V527-F529 HydrophobicContact CG1-CD2 4.01Å; V527-F529 HydrophobicContact CG1-CE1 4.3Å; V527-F529 HydrophobicContact CG1-CE2 3.49Å; V527-F529 VanDerWaalsContact CG1-CE2 3.49Å; V527-F529 HydrophobicContact CG1-CZ 3.67Å; F529-Y535 CarbonylContact O-C 3.47Å; F529-Y535 VanDerWaalsContact O-CA 3.23Å; F529-Y535 WeakPolarHBondContact O-CA 3.36Å; F529-Y536 PolarHBondContact N-O 3.06Å; F529-Y536 PolarHBondContact O-N 2.68Å; F529-V538 HydrophobicContact CD2-CB 4.22Å; F529-V538 HydrophobicContact CD2-CG2 3.74Å; F529-V538 HydrophobicContact CE2-CB 4.07Å; F529-V538 HydrophobicContact CE2-CG1 4.33Å; F529-V538 HydrophobicContact CE2-CG2 3.98Å
530	F	95.6	Very high	83.4	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	145	-176.2	-55.5	-90.8	0	0	0	110.1	F210 D395 A396 M398 Y535 I556 W560	F210-F530 HydrophobicContact CB-CE2 4.06Å; F210-F530 HydrophobicContact CD1-CE2 4.2Å; F210-F530 AromaticContact CD1-CZ 3.95Å; F210-F530 HydrophobicContact CD1-CZ 3.95Å; F210-F530 HydrophobicContact CD2-CD1 4.05Å; F210-F530 AromaticContact CD2-CD2 3.47Å; F210-F530 HydrophobicContact CD2-CD2 3.47Å; F210-F530 VanDerWaalsContact CD2-CD2 3.47Å; F210-F530 HydrophobicContact CD2-CE1 4.07Å; F210-F530 AromaticContact CD2-CE2 3.49Å; F210-F530 HydrophobicContact CD2-CE2 3.49Å; F210-F530 VanDerWaalsContact CD2-CE2 3.49Å; F210-F530 AromaticContact CD2-CG 3.77Å; F210-F530 HydrophobicContact CD2-CG 3.77Å; F210-F530 AromaticContact CD2-CZ 3.8Å; F210-F530 HydrophobicContact CD2-CZ 3.8Å; F210-F530 HydrophobicContact CE1-CE1 4.03Å; F210-F530 AromaticContact CE1-CZ 3.91Å; F210-F530 HydrophobicContact CE1-CZ 3.91Å; F210-F530 HydrophobicContact CE2-CB 4.34Å; F210-F530 AromaticContact CE2-CD1 3.44Å; F210-F530 HydrophobicContact CE2-CD1 3.44Å; F210-F530 VanDerWaalsContact CE2-CD1 3.44Å; F210-F530 AromaticContact CE2-CD2 3.76Å; F210-F530 HydrophobicContact CE2-CD2 3.76Å; F210-F530 AromaticContact CE2-CE1 3.53Å; F210-F530 HydrophobicContact CE2-CE1 3.53Å; F210-F530 AromaticContact CE2-CE2 3.86Å; F210-F530 HydrophobicContact CE2-CE2 3.86Å; F210-F530 AromaticContact CE2-CG 3.56Å; F210-F530 HydrophobicContact CE2-CG 3.56Å; F210-F530 AromaticContact CE2-CZ 3.74Å; F210-F530 HydrophobicContact CE2-CZ 3.74Å; F210-F530 HydrophobicContact CG-CD2 4.12Å; F210-F530 AromaticContact CG-CE2 3.67Å; F210-F530 HydrophobicContact CG-CE2 3.67Å; F210-F530 AromaticContact CG-CZ 3.9Å; F210-F530 HydrophobicContact CG-CZ 3.9Å; F210-F530 AromaticContact CZ-CD1 3.84Å; F210-F530 HydrophobicContact CZ-CD1 3.84Å; F210-F530 AromaticContact CZ-CE1 3.52Å; F210-F530 HydrophobicContact CZ-CE1 3.52Å; F210-F530 HydrophobicContact CZ-CE2 4.36Å; F210-F530 HydrophobicContact CZ-CG 4.39Å; F210-F530 AromaticContact CZ-CZ 3.8Å; F210-F530 HydrophobicContact CZ-CZ 3.8Å; D395-F530 PolarHBondContact N-O 2.81Å; A396-F530 HydrophobicContact CB-CB 4.09Å; A396-F530 HydrophobicContact CB-CD2 3.98Å; A396-F530 HydrophobicContact CB-CG 4.39Å; A396-F530 PolarHBondContact O-N 2.6Å; M398-F530 HydrophobicContact CB-CE2 4.32Å; F530-Y535 HydrophobicContact CE1-CG 4.41Å; F530-I556 HydrophobicContact CB-CD1 4.38Å; F530-I556 HydrophobicContact CD1-CD1 3.79Å; F530-I556 HydrophobicContact CD1-CG1 4.04Å; F530-W560 HydrophobicContact CE1-CD2 4Å; F530-W560 AromaticContact CE1-CE2 3.72Å; F530-W560 HydrophobicContact CE1-CE3 4.48Å; F530-W560 HydrophobicContact CE1-CG 4.43Å; F530-W560 HydrophobicContact CE1-CZ2 4.03Å; F530-W560 AromaticContact CE1-NE1 3.92Å; F530-W560 HydrophobicContact CZ-CD2 4.29Å; F530-W560 AromaticContact CZ-CE2 3.92Å; F530-W560 HydrophobicContact CZ-CE3 4.41Å; F530-W560 AromaticContact CZ-CH2 3.92Å; F530-W560 HydrophobicContact CZ-CH2 3.92Å; F530-W560 AromaticContact CZ-CZ2 3.74Å; F530-W560 HydrophobicContact CZ-CZ2 3.74Å; F530-W560 HydrophobicContact CZ-CZ3 4.24Å
531	K	95.1	Very high	85.3	Confident	53 Å²	53	25.9 Å²	25.9	23%	0.23	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	118.4	-179.9	-168.9	-163.6	-172.8	75	0	109.9	K391 S392 P393 D395 D533 K534 Y536	K391-K531 HydrophobicContact CB-CD 4.42Å; K391-K531 PolarHBondContact O-NZ 2.69Å; S392-K531 PolarHBondContact O-NZ 3.42Å; P393-K531 PolarHBondContact O-NZ 2.84Å; D395-K531 WeakPolarHBondContact OD2-CA 3.45Å; K531-D533 PolarHBondContact O-N 3.29Å; K531-K534 CarbonylContact C-O 3.58Å; K531-K534 PolarHBondContact N-O 3.41Å; K531-K534 CarbonylContact O-C 3.59Å; K531-K534 PolarHBondContact O-N 3.47Å; K531-Y536 HydrophobicContact CB-CE2 4.34Å
532	A	94.1	Very high	86.7	Confident	46 Å²	46	26.2 Å²	26.2	38%	0.38	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-132.1	-171.3	0	0	0	0	0	111.3	P206 D395 K534	P206-A532 WeakPolarHBondContact CA-O 3.33Å; P206-A532 WeakPolarHBondContact CB-O 3.33Å; D395-A532 PolarHBondContact OD2-N 3.17Å; A532-K534 PolarHBondContact O-N 3.04Å
533	D	91.9	Very high	87.9	Confident	73 Å²	73	25.6 Å²	25.6	39%	0.39	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	2.7	177.9	64.3	-57.2	0	0	0	114.1	K531 I556	K531-D533 PolarHBondContact O-N 3.29Å; D533-I556 WeakPolarHBondContact O-CB 3.36Å; D533-I556 WeakPolarHBondContact O-CG1 3.36Å; D533-I556 PolarHBondContact O-N 2.83Å
534	K	93.4	Very high	88.7	Confident	71 Å²	71	32.3 Å²	32.3	31%	0.309	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.9	-166	-47.9	-163.1	179.7	-165.4	0	114.1	K531 A532 P553 R554	K531-K534 CarbonylContact C-O 3.58Å; K531-K534 PolarHBondContact N-O 3.41Å; K531-K534 CarbonylContact O-C 3.59Å; K531-K534 PolarHBondContact O-N 3.47Å; A532-K534 PolarHBondContact O-N 3.04Å; K534-P553 HydrophobicContact CB-CB 3.88Å; K534-P553 HydrophobicContact CB-CG 4.44Å; K534-P553 HydrophobicContact CD-CG 4.38Å; K534-R554 CarbonylContact C-O 3.57Å; K534-R554 WeakPolarHBondContact CA-O 3.45Å; K534-R554 VanDerWaalsContact CB-O 3.27Å; K534-R554 WeakPolarHBondContact CB-O 3.47Å
535	Y	93.8	Very high	89.4	Confident	5 Å²	5	32.1 Å²	32.1	2%	0.02	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.5	178.1	79.6	-76	0	0	0	112.7	Y528 F529 F530 Y552 P553 R554 I556 Y559 W560	Y528-Y535 AromaticContact CD1-CD2 3.85Å; Y528-Y535 HydrophobicContact CD1-CD2 3.85Å; Y528-Y535 AromaticContact CD1-CE2 3.96Å; Y528-Y535 HydrophobicContact CD1-CE2 3.96Å; Y528-Y535 HydrophobicContact CE1-CD2 4.37Å; Y528-Y535 HydrophobicContact CE1-CE2 4.01Å; F529-Y535 CarbonylContact O-C 3.47Å; F529-Y535 VanDerWaalsContact O-CA 3.23Å; F529-Y535 WeakPolarHBondContact O-CA 3.36Å; F530-Y535 HydrophobicContact CE1-CG 4.41Å; Y535-Y552 HydrophobicContact CD2-CE1 4.2Å; Y535-Y552 HydrophobicContact CE2-CD1 4.41Å; Y535-Y552 AromaticContact CE2-CE1 3.57Å; Y535-Y552 HydrophobicContact CE2-CE1 3.57Å; Y535-Y552 AromaticContact CZ-CE1 3.8Å; Y535-Y552 WeakPolarHBondContact O-CD1 3.48Å; Y535-P553 CarbonylContact O-C 3.55Å; Y535-P553 WeakPolarHBondContact O-CA 3.04Å; Y535-P553 WeakPolarHBondContact O-CB 3.31Å; Y535-R554 HydrophobicContact CD1-CB 4.06Å; Y535-R554 WeakPolarHBondContact CD1-O 3.38Å; Y535-R554 HydrophobicContact CE1-CB 3.42Å; Y535-R554 VanDerWaalsContact CE1-CB 3.42Å; Y535-R554 PolarHBondContact N-O 2.88Å; Y535-R554 PolarHBondContact O-N 3.23Å; Y535-I556 HydrophobicContact CD1-CG1 4.28Å; Y535-Y559 HydrophobicContact CE1-CD2 4.33Å; Y535-Y559 HydrophobicContact CE1-CG 4.32Å; Y535-W560 AromaticContact CD1-CD1 3.48Å; Y535-W560 VanDerWaalsContact CD1-CD1 3.48Å; Y535-W560 AromaticContact CD1-NE1 3.31Å; Y535-W560 VanDerWaalsContact CD1-NE1 3.31Å; Y535-W560 HydrophobicContact CD2-CZ2 4.34Å; Y535-W560 AromaticContact CD2-NE1 3.27Å; Y535-W560 VanDerWaalsContact CD2-NE1 3.27Å; Y535-W560 AromaticContact CE1-CD1 3.49Å; Y535-W560 VanDerWaalsContact CE1-CD1 3.49Å; Y535-W560 AromaticContact CE1-NE1 3.36Å; Y535-W560 HydrophobicContact CE2-CZ2 4.4Å; Y535-W560 AromaticContact CE2-NE1 3.29Å; Y535-W560 VanDerWaalsContact CE2-NE1 3.29Å; Y535-W560 AromaticContact CG-CD1 3.91Å; Y535-W560 AromaticContact CG-NE1 3.29Å; Y535-W560 VanDerWaalsContact CG-NE1 3.29Å; Y535-W560 AromaticContact CZ-CD1 3.9Å; Y535-W560 AromaticContact CZ-NE1 3.35Å
536	Y	93.4	Very high	89.3	Confident	8 Å²	8	32.8 Å²	32.8	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.6	173.1	-59.2	-99.1	0	0	0	109.3	L390 K391 Y528 F529 K531 V545 P553	L390-Y536 HydrophobicContact CD1-CD1 4.48Å; L390-Y536 HydrophobicContact CD1-CD2 3.73Å; L390-Y536 HydrophobicContact CD1-CE2 4.22Å; L390-Y536 HydrophobicContact CD1-CG 3.9Å; K391-Y536 WeakPolarHBondContact CD-OH 3.14Å; K391-Y536 WeakPolarHBondContact CG-OH 3.42Å; Y528-Y536 WeakPolarHBondContact CA-O 3.43Å; F529-Y536 PolarHBondContact N-O 3.06Å; F529-Y536 PolarHBondContact O-N 2.68Å; K531-Y536 HydrophobicContact CB-CE2 4.34Å; Y536-V545 HydrophobicContact CD1-CG1 4.12Å; Y536-V545 HydrophobicContact CD1-CG2 3.8Å; Y536-V545 HydrophobicContact CG-CG2 4.45Å; Y536-P553 HydrophobicContact CD1-CB 4.06Å; Y536-P553 HydrophobicContact CD2-CB 4.13Å; Y536-P553 HydrophobicContact CE1-CB 3.75Å; Y536-P553 HydrophobicContact CE1-CG 3.99Å; Y536-P553 HydrophobicContact CE2-CB 3.82Å; Y536-P553 HydrophobicContact CE2-CG 4.38Å; Y536-P553 HydrophobicContact CG-CB 4.24Å
537	R	90.1	Very high	88.6	Confident	28 Å²	28	39 Å²	39	11%	0.106	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.2	161.1	-168.1	175.6	76.1	-178.6	1.9	109.3	D90 S526 Y528 V545 D546 Y552	D90-R537 IonicContact OD1-NH1 2.69Å; D90-R537 PolarHBondContact OD1-NH1 3.18Å; D90-R537 WeakPolarHBondContact OD2-CD 3.29Å; D90-R537 IonicContact OD2-CZ 3.14Å; D90-R537 IonicContact OD2-NE 2.71Å; D90-R537 IonicContact OD2-NH1 2.7Å; D90-R537 PolarHBondContact OD2-NH1 2.99Å; S526-R537 VanDerWaalsContact CB-CG 3.45Å; Y528-R537 HydrophobicContact CD1-CB 4.11Å; Y528-R537 HydrophobicContact CD1-CG 4.14Å; Y528-R537 HydrophobicContact CE1-CB 3.64Å; Y528-R537 HydrophobicContact CE1-CG 3.43Å; Y528-R537 VanDerWaalsContact CE1-CG 3.43Å; Y528-R537 WeakPolarHBondContact OH-CD 3.35Å; R537-V545 WeakPolarHBondContact O-CA 3.4Å; R537-D546 WeakPolarHBondContact CD-OD2 3.2Å; R537-D546 VanDerWaalsContact CG-OD2 3.28Å; R537-D546 WeakPolarHBondContact CG-OD2 3.28Å; R537-D546 IonicContact CZ-OD2 2.72Å; R537-D546 IonicContact NE-OD2 3.62Å; R537-D546 PolarHBondContact NE-OD2 3.38Å; R537-D546 IonicContact NH2-OD2 3.91Å; R537-D546 PolarHBondContact O-N 2.84Å; R537-Y552 HydrophobicContact CB-CD2 4.38Å; R537-Y552 HydrophobicContact CB-CE1 3.97Å; R537-Y552 HydrophobicContact CB-CE2 3.64Å; R537-Y552 WeakPolarHBondContact CB-OH 3.33Å
538	V	89	Confident	87.6	Confident	1 Å²	1	40 Å²	40	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	111.3	-173.1	174.8	0	0	0	0	110.9	W387 S526 V527 F529 L540 R544 V545	W387-V538 HydrophobicContact CE3-CG1 3.65Å; W387-V538 HydrophobicContact CZ3-CG1 3.8Å; S526-V538 CarbonylContact C-O 3.56Å; S526-V538 WeakPolarHBondContact CA-O 3.17Å; S526-V538 WeakPolarHBondContact CB-O 3.44Å; V527-V538 PolarHBondContact N-O 2.92Å; V527-V538 PolarHBondContact O-N 3.02Å; F529-V538 HydrophobicContact CD2-CB 4.22Å; F529-V538 HydrophobicContact CD2-CG2 3.74Å; F529-V538 HydrophobicContact CE2-CB 4.07Å; F529-V538 HydrophobicContact CE2-CG1 4.33Å; F529-V538 HydrophobicContact CE2-CG2 3.98Å; V538-L540 PolarHBondContact O-N 3.41Å; V538-R544 CarbonylContact C-O 3.6Å; V538-R544 VanDerWaalsContact CA-O 3.22Å; V538-R544 WeakPolarHBondContact CA-O 3.24Å; V538-R544 WeakPolarHBondContact CG1-O 3.41Å; V538-V545 HydrophobicContact CG2-CB 4.48Å; V538-V545 HydrophobicContact CG2-CG2 3.79Å
539	D	84.2	Confident	86	Confident	20 Å²	20	46.1 Å²	46.1	11%	0.107	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	122.4	168.5	166.6	-66.4	0	0	0	109.9	R541 T542 K543 R544 D546	D539-R541 PolarHBondContact OD1-N 3.4Å; D539-R541 IonicContact OD2-NH2 2.69Å; D539-T542 VanDerWaalsContact OD1-CB 3.28Å; D539-T542 WeakPolarHBondContact OD1-CB 3.46Å; D539-T542 VanDerWaalsContact OD1-CG2 3.31Å; D539-T542 WeakPolarHBondContact OD1-CG2 3.43Å; D539-T542 PolarHBondContact OD1-N 2.88Å; D539-T542 PolarHBondContact OD1-OG1 3.13Å; D539-K543 VanDerWaalsContact O-CA 3.25Å; D539-K543 WeakPolarHBondContact O-CA 3.31Å; D539-K543 PolarHBondContact O-N 3.34Å; D539-R544 PolarHBondContact N-O 2.97Å; D539-R544 VanDerWaalsContact N-O 3.14Å; D539-R544 PolarHBondContact O-N 3.13Å; D539-D546 VanDerWaalsContact CB-OD1 3.32Å; D539-D546 WeakPolarHBondContact CB-OD1 3.12Å; D539-D546 PolarHBondContact N-OD1 3.42Å
540	L	86.1	Confident	84.9	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-33.3	-170	176.6	59.6	0	0	0	113.2	L306 L369 Y370 W387 Q525 V527 V538 K543	L306-L540 HydrophobicContact CD1-CD1 4.19Å; L306-L540 HydrophobicContact CD1-CD2 3.94Å; L306-L540 HydrophobicContact CD2-CD2 3.63Å; L306-L540 HydrophobicContact CG-CD2 4.46Å; L369-L540 HydrophobicContact CD1-CB 4.1Å; L369-L540 HydrophobicContact CD1-CD2 4.35Å; L369-L540 HydrophobicContact CD1-CG 4.33Å; L369-L540 HydrophobicContact CG-CD2 4.49Å; Y370-L540 HydrophobicContact CD1-CD2 3.89Å; Y370-L540 HydrophobicContact CE1-CD2 3.61Å; W387-L540 HydrophobicContact CH2-CD1 3.89Å; W387-L540 HydrophobicContact CZ3-CD1 4.34Å; Q525-L540 HydrophobicContact CG-CD2 4.48Å; Q525-L540 WeakPolarHBondContact O-CB 3.4Å; Q525-L540 PolarHBondContact O-N 2.69Å; V527-L540 HydrophobicContact CG2-CB 4.42Å; V527-L540 HydrophobicContact CG2-CD1 3.96Å; V538-L540 PolarHBondContact O-N 3.41Å; L540-K543 WeakPolarHBondContact O-CG 3.16Å
541	R	79.1	Confident	84.1	Confident	78 Å²	78	53.7 Å²	53.7	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-43.8	-178.9	170.4	-178.3	53	-179.5	-11.1	111.7	E368 L369 M522 D539	E368-R541 VanDerWaalsContact OE1-CD 3.24Å; E368-R541 WeakPolarHBondContact OE1-CD 3.26Å; E368-R541 IonicContact OE1-NH1 3.47Å; E368-R541 PolarHBondContact OE1-NH1 2.98Å; L369-R541 HydrophobicContact CD1-CB 3.87Å; M522-R541 PolarHBondContact SD-NH1 3.1Å; D539-R541 PolarHBondContact OD1-N 3.4Å; D539-R541 IonicContact OD2-NH2 2.69Å
542	T	82.1	Confident	83.5	Confident	69 Å²	69	52.6 Å²	52.6	42%	0.423	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-17.2	-179.3	67.4	0	0	0	0	112.6	D539 R544	D539-T542 VanDerWaalsContact OD1-CB 3.28Å; D539-T542 WeakPolarHBondContact OD1-CB 3.46Å; D539-T542 VanDerWaalsContact OD1-CG2 3.31Å; D539-T542 WeakPolarHBondContact OD1-CG2 3.43Å; D539-T542 PolarHBondContact OD1-N 2.88Å; D539-T542 PolarHBondContact OD1-OG1 3.13Å; T542-R544 VanDerWaalsContact C-N 3.3Å; T542-R544 WeakPolarHBondContact O-CG 3.46Å; T542-R544 PolarHBondContact O-N 2.85Å
543	K	86.8	Confident	83.5	Confident	31 Å²	31	52.6 Å²	52.6	14%	0.135	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	45.2	-173.6	-56.9	-172	-170.6	-174.2	0	111.3	Y318 D372 D386 W387 K388 D539 L540	Y318-K543 PolarHBondContact OH-NZ 3.06Å; D372-K543 IonicContact OD1-NZ 3.07Å; D372-K543 PolarHBondContact OD1-NZ 3.46Å; D386-K543 WeakPolarHBondContact O-CB 3.45Å; W387-K543 CarbonylContact C-O 3.59Å; W387-K543 WeakPolarHBondContact CA-O 3.29Å; W387-K543 HydrophobicContact CD2-CB 4.26Å; W387-K543 HydrophobicContact CE3-CB 3.7Å; W387-K543 HydrophobicContact CE3-CD 4.42Å; W387-K543 HydrophobicContact CE3-CG 4.04Å; W387-K543 HydrophobicContact CH2-CD 4.34Å; W387-K543 HydrophobicContact CH2-CG 4.34Å; W387-K543 HydrophobicContact CZ2-CD 4.4Å; W387-K543 HydrophobicContact CZ3-CB 4.06Å; W387-K543 HydrophobicContact CZ3-CD 4.34Å; W387-K543 HydrophobicContact CZ3-CG 3.92Å; K388-K543 PolarHBondContact N-O 2.84Å; D539-K543 VanDerWaalsContact O-CA 3.25Å; D539-K543 WeakPolarHBondContact O-CA 3.31Å; D539-K543 PolarHBondContact O-N 3.34Å; L540-K543 WeakPolarHBondContact O-CG 3.16Å
544	R	84.8	Confident	83.3	Confident	146 Å²	146	49.9 Å²	49.9	55%	0.551	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.5	-179.4	-54.6	-163.9	168	-116.2	-3.1	111.9	K388 V538 D539 T542 D546	K388-R544 HydrophobicContact CB-CB 4.5Å; K388-R544 HydrophobicContact CB-CG 4.11Å; K388-R544 CarbonylContact O-C 3.56Å; K388-R544 WeakPolarHBondContact O-CA 3.47Å; V538-R544 CarbonylContact C-O 3.6Å; V538-R544 VanDerWaalsContact CA-O 3.22Å; V538-R544 WeakPolarHBondContact CA-O 3.24Å; V538-R544 WeakPolarHBondContact CG1-O 3.41Å; D539-R544 PolarHBondContact N-O 2.97Å; D539-R544 VanDerWaalsContact N-O 3.14Å; D539-R544 PolarHBondContact O-N 3.13Å; T542-R544 VanDerWaalsContact C-N 3.3Å; T542-R544 WeakPolarHBondContact O-CG 3.46Å; T542-R544 PolarHBondContact O-N 2.85Å; R544-D546 PolarHBondContact O-N 3.16Å
545	V	86.6	Confident	83	Confident	32 Å²	32	48.3 Å²	48.3	19%	0.194	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	130.9	166.8	173.6	0	0	0	0	109.4	K388 G389 L390 Y536 R537 V538 Y552	K388-V545 PolarHBondContact O-N 2.97Å; G389-V545 VanDerWaalsContact C-CG2 3.43Å; L390-V545 HydrophobicContact CB-CG2 4.39Å; Y536-V545 HydrophobicContact CD1-CG1 4.12Å; Y536-V545 HydrophobicContact CD1-CG2 3.8Å; Y536-V545 HydrophobicContact CG-CG2 4.45Å; R537-V545 WeakPolarHBondContact O-CA 3.4Å; V538-V545 HydrophobicContact CG2-CB 4.48Å; V538-V545 HydrophobicContact CG2-CG2 3.79Å; V545-Y552 HydrophobicContact CG1-CD2 4.15Å; V545-Y552 HydrophobicContact CG1-CG 4.22Å
546	D	79.2	Confident	82.8	Confident	20 Å²	20	48.3 Å²	48.3	11%	0.107	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-71	142	-170.3	-67.1	-13.8	0	0	0	112.5	S526 R537 D539 R544 A548 Y552	S526-D546 PolarHBondContact OG-OD2 2.98Å; R537-D546 WeakPolarHBondContact CD-OD2 3.2Å; R537-D546 VanDerWaalsContact CG-OD2 3.28Å; R537-D546 WeakPolarHBondContact CG-OD2 3.28Å; R537-D546 IonicContact CZ-OD2 2.72Å; R537-D546 IonicContact NE-OD2 3.62Å; R537-D546 PolarHBondContact NE-OD2 3.38Å; R537-D546 IonicContact NH2-OD2 3.91Å; R537-D546 PolarHBondContact O-N 2.84Å; D539-D546 VanDerWaalsContact CB-OD1 3.32Å; D539-D546 WeakPolarHBondContact CB-OD1 3.12Å; D539-D546 PolarHBondContact N-OD1 3.42Å; R544-D546 PolarHBondContact O-N 3.16Å; D546-A548 PolarHBondContact O-N 2.9Å; D546-Y552 HydrophobicContact CB-CE2 4.2Å; D546-Y552 WeakPolarHBondContact O-CD2 3.41Å
547	P	73.4	Confident	82.4	Confident	131 Å²	131	49.2 Å²	49.2	85%	0.851	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-70.7	120.9	168.8	30.2	-32.3	0	0	0	109.5
548	A	70.5	Confident	82.1	Confident	20 Å²	20	51.3 Å²	51.3	17%	0.165	28%	0.278	C	S	.	.			trans	-150.2	160.5	-179.6	0	0	0	0	0	111.2	D546 P550 P551 Y552	D546-A548 PolarHBondContact O-N 2.9Å; A548-P550 CarbonylContact C-O 3.39Å; A548-P550 CarbonylContact O-C 3.6Å; A548-P551 VanDerWaalsContact O-CA 3.27Å; A548-P551 WeakPolarHBondContact O-CA 2.93Å; A548-Y552 HydrophobicContact CB-CD2 4.21Å; A548-Y552 HydrophobicContact CB-CE2 3.78Å
549	M	59.8	Low	81.7	Confident	131 Å²	131	53.2 Å²	53.2	65%	0.645	29%	0.286	S	S	*	.	S	Bend	trans	-122.4	126.1	170.5	-62.3	-159.5	-56.4	0	0	109.6	L50 R554	L50-M549 HydrophobicContact CD1-CE 4.08Å; M549-R554 PolarHBondContact O-NH2 3.36Å
550	P	74.4	Confident	81.5	Confident	64 Å²	64	52.6 Å²	52.6	42%	0.416	28%	0.282	S	S	.	.	S	Bend	cis	-60	154.6	-12.5	28.3	-35.4	0	0	0	111.8	A548 R554 Y559	A548-P550 CarbonylContact C-O 3.39Å; A548-P550 CarbonylContact O-C 3.6Å; P550-R554 PolarHBondContact O-NE 3.17Å; P550-R554 PolarHBondContact O-NH2 3.02Å; P550-Y559 VanDerWaalsContact CG-OH 3.25Å; P550-Y559 WeakPolarHBondContact CG-OH 3.37Å
551	P	77.6	Confident	81.4	Confident	97 Å²	97	53.1 Å²	53.1	63%	0.63	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-70.4	156.8	-176.6	29.5	-36	0	0	0	112.6	A548	A548-P551 VanDerWaalsContact O-CA 3.27Å; A548-P551 WeakPolarHBondContact O-CA 2.93Å
552	Y	83.8	Confident	81.2	Confident	30 Å²	30	52.1 Å²	52.1	12%	0.118	30%	0.298	C	S	.	.	S	Bend	trans	-74.3	146.5	171.5	-70.3	-69.4	0	0	0	111.8	Y535 R537 V545 D546 A548 R554	Y535-Y552 HydrophobicContact CD2-CE1 4.2Å; Y535-Y552 HydrophobicContact CE2-CD1 4.41Å; Y535-Y552 AromaticContact CE2-CE1 3.57Å; Y535-Y552 HydrophobicContact CE2-CE1 3.57Å; Y535-Y552 AromaticContact CZ-CE1 3.8Å; Y535-Y552 WeakPolarHBondContact O-CD1 3.48Å; R537-Y552 HydrophobicContact CB-CD2 4.38Å; R537-Y552 HydrophobicContact CB-CE1 3.97Å; R537-Y552 HydrophobicContact CB-CE2 3.64Å; R537-Y552 WeakPolarHBondContact CB-OH 3.33Å; V545-Y552 HydrophobicContact CG1-CD2 4.15Å; V545-Y552 HydrophobicContact CG1-CG 4.22Å; D546-Y552 HydrophobicContact CB-CE2 4.2Å; D546-Y552 WeakPolarHBondContact O-CD2 3.41Å; A548-Y552 HydrophobicContact CB-CD2 4.21Å; A548-Y552 HydrophobicContact CB-CE2 3.78Å; Y552-R554 HydrophobicContact CD1-CB 4.11Å; Y552-R554 HydrophobicContact CD1-CG 3.78Å; Y552-R554 HydrophobicContact CE1-CB 4.2Å; Y552-R554 HydrophobicContact CE1-CG 3.85Å
553	P	93.3	Very high	81.3	Confident	47 Å²	47	49.3 Å²	49.3	31%	0.305	28%	0.281	S	S	.	.	S	Bend	cis	-84.7	139	6	34.1	-35.7	0	0	0	114.1	K534 Y535 Y536	K534-P553 HydrophobicContact CB-CB 3.88Å; K534-P553 HydrophobicContact CB-CG 4.44Å; K534-P553 HydrophobicContact CD-CG 4.38Å; Y535-P553 CarbonylContact O-C 3.55Å; Y535-P553 WeakPolarHBondContact O-CA 3.04Å; Y535-P553 WeakPolarHBondContact O-CB 3.31Å; Y536-P553 HydrophobicContact CD1-CB 4.06Å; Y536-P553 HydrophobicContact CD2-CB 4.13Å; Y536-P553 HydrophobicContact CE1-CB 3.75Å; Y536-P553 HydrophobicContact CE1-CG 3.99Å; Y536-P553 HydrophobicContact CE2-CB 3.82Å; Y536-P553 HydrophobicContact CE2-CG 4.38Å; Y536-P553 HydrophobicContact CG-CB 4.24Å
554	R	87.2	Confident	80.7	Confident	16 Å²	16	53.3 Å²	53.3	6%	0.06	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	156.4	-177.8	-73.3	-177.3	179.9	-166.8	-3.2	111.5	K534 Y535 M549 P550 Y552 Y559	K534-R554 CarbonylContact C-O 3.57Å; K534-R554 WeakPolarHBondContact CA-O 3.45Å; K534-R554 VanDerWaalsContact CB-O 3.27Å; K534-R554 WeakPolarHBondContact CB-O 3.47Å; Y535-R554 HydrophobicContact CD1-CB 4.06Å; Y535-R554 WeakPolarHBondContact CD1-O 3.38Å; Y535-R554 HydrophobicContact CE1-CB 3.42Å; Y535-R554 VanDerWaalsContact CE1-CB 3.42Å; Y535-R554 PolarHBondContact N-O 2.88Å; Y535-R554 PolarHBondContact O-N 3.23Å; M549-R554 PolarHBondContact O-NH2 3.36Å; P550-R554 PolarHBondContact O-NE 3.17Å; P550-R554 PolarHBondContact O-NH2 3.02Å; Y552-R554 HydrophobicContact CD1-CB 4.11Å; Y552-R554 HydrophobicContact CD1-CG 3.78Å; Y552-R554 HydrophobicContact CE1-CB 4.2Å; Y552-R554 HydrophobicContact CE1-CG 3.85Å; R554-Y559 HydrophobicContact CB-CD2 3.8Å; R554-Y559 HydrophobicContact CB-CE2 3.96Å; R554-Y559 HydrophobicContact CG-CD2 4.37Å; R554-Y559 HydrophobicContact CG-CE2 4.12Å
555	S	88.3	Confident	79.8	Confident	37 Å²	37	50.7 Å²	50.7	26%	0.259	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.8	178.6	171	0	0	0	0	112.8	A557 K558 Y559	S555-A557 PolarHBondContact OG-N 3.36Å; S555-K558 PolarHBondContact OG-N 2.88Å; S555-Y559 WeakPolarHBondContact O-CD2 3.37Å; S555-Y559 PolarHBondContact O-N 3.12Å; S555-Y559 VanDerWaalsContact O-N 3.14Å
556	I	88.4	Confident	78.4	Confident	6 Å²	6	54 Å²	54	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-66.3	-43.6	171.7	-62.6	168.2	0	0	0	109.7	F207 F530 D533 Y535 K558 W560 L561	F207-I556 HydrophobicContact CD2-CG2 4.06Å; F207-I556 HydrophobicContact CE2-CG2 3.77Å; F530-I556 HydrophobicContact CB-CD1 4.38Å; F530-I556 HydrophobicContact CD1-CD1 3.79Å; F530-I556 HydrophobicContact CD1-CG1 4.04Å; D533-I556 WeakPolarHBondContact O-CB 3.36Å; D533-I556 WeakPolarHBondContact O-CG1 3.36Å; D533-I556 PolarHBondContact O-N 2.83Å; Y535-I556 HydrophobicContact CD1-CG1 4.28Å; I556-K558 VanDerWaalsContact C-N 3.3Å; I556-K558 PolarHBondContact O-N 3.31Å; I556-W560 HydrophobicContact CG2-CB 3.87Å; I556-W560 HydrophobicContact CG2-CG 4.32Å; I556-W560 WeakPolarHBondContact O-CA 3.47Å; I556-W560 WeakPolarHBondContact O-CB 3.43Å; I556-W560 PolarHBondContact O-N 3.45Å; I556-L561 HydrophobicContact CG2-CG 4.4Å; I556-L561 PolarHBondContact O-N 3.43Å
557	A	86.4	Confident	76.6	Confident	26 Å²	26	59 Å²	59	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-57.2	-43.2	-178.6	0	0	0	0	0	112.1	S555 L561 G562 C563	S555-A557 PolarHBondContact OG-N 3.36Å; A557-L561 WeakPolarHBondContact O-CB 3.38Å; A557-G562 PolarHBondContact O-N 3.34Å; A557-C563 HydrophobicContact CB-CB 4.08Å; A557-C563 VanDerWaalsContact O-CB 3.3Å; A557-C563 WeakPolarHBondContact O-CB 3.47Å; A557-C563 PolarHBondContact O-N 3.01Å
558	K	82.8	Confident	75.2	Confident	73 Å²	73	55.9 Å²	55.9	32%	0.317	36%	0.358	S	S	.	.	H	α-helix	trans	-70.3	-64.2	176.7	-169.7	171.8	-165.2	150.6	0	111.6	S555 I556 G562 D565	S555-K558 PolarHBondContact OG-N 2.88Å; I556-K558 VanDerWaalsContact C-N 3.3Å; I556-K558 PolarHBondContact O-N 3.31Å; K558-G562 PolarHBondContact O-N 3.02Å; K558-D565 WeakPolarHBondContact CD-OD1 3.21Å; K558-D565 IonicContact NZ-OD1 2.82Å; K558-D565 PolarHBondContact NZ-OD1 2.79Å; K558-D565 IonicContact NZ-OD2 2.65Å; K558-D565 PolarHBondContact NZ-OD2 2.82Å
559	Y	80.4	Confident	73.7	Confident	41 Å²	41	58.7 Å²	58.7	16%	0.161	38%	0.381	C	S	.	.	H	α-helix	trans	-84.3	-18.9	-165.4	-65.8	-83.6	0	0	0	115.1	Y535 P550 R554 S555	Y535-Y559 HydrophobicContact CE1-CD2 4.33Å; Y535-Y559 HydrophobicContact CE1-CG 4.32Å; P550-Y559 VanDerWaalsContact CG-OH 3.25Å; P550-Y559 WeakPolarHBondContact CG-OH 3.37Å; R554-Y559 HydrophobicContact CB-CD2 3.8Å; R554-Y559 HydrophobicContact CB-CE2 3.96Å; R554-Y559 HydrophobicContact CG-CD2 4.37Å; R554-Y559 HydrophobicContact CG-CE2 4.12Å; S555-Y559 WeakPolarHBondContact O-CD2 3.37Å; S555-Y559 PolarHBondContact O-N 3.12Å; S555-Y559 VanDerWaalsContact O-N 3.14Å
560	W	81.6	Confident	72.6	Confident	7 Å²	7	61.1 Å²	61.1	3%	0.027	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-24.6	179.6	-72.2	79.8	0	0	0	114.1	R88 F210 M229 M398 Y528 F530 Y535 I556	R88-W560 PolarHBondContact NH1-O 3.49Å; R88-W560 PolarHBondContact NH2-O 3.18Å; F210-W560 HydrophobicContact CE1-CE3 4.09Å; F210-W560 HydrophobicContact CE1-CZ3 4.45Å; M229-W560 HydrophobicContact SD-CE3 4.07Å; M398-W560 HydrophobicContact CE-CH2 3.52Å; M398-W560 HydrophobicContact CE-CZ3 3.69Å; Y528-W560 HydrophobicContact CD1-CH2 4.4Å; Y528-W560 AromaticContact CD1-CZ2 3.66Å; Y528-W560 HydrophobicContact CD1-CZ2 3.66Å; Y528-W560 HydrophobicContact CD2-CH2 4.21Å; Y528-W560 HydrophobicContact CD2-CZ2 4.27Å; Y528-W560 HydrophobicContact CE1-CZ2 4.1Å; Y528-W560 HydrophobicContact CG-CH2 4.06Å; Y528-W560 AromaticContact CG-CZ2 3.74Å; Y528-W560 HydrophobicContact CG-CZ2 3.74Å; F530-W560 HydrophobicContact CE1-CD2 4Å; F530-W560 AromaticContact CE1-CE2 3.72Å; F530-W560 HydrophobicContact CE1-CE3 4.48Å; F530-W560 HydrophobicContact CE1-CG 4.43Å; F530-W560 HydrophobicContact CE1-CZ2 4.03Å; F530-W560 AromaticContact CE1-NE1 3.92Å; F530-W560 HydrophobicContact CZ-CD2 4.29Å; F530-W560 AromaticContact CZ-CE2 3.92Å; F530-W560 HydrophobicContact CZ-CE3 4.41Å; F530-W560 AromaticContact CZ-CH2 3.92Å; F530-W560 HydrophobicContact CZ-CH2 3.92Å; F530-W560 AromaticContact CZ-CZ2 3.74Å; F530-W560 HydrophobicContact CZ-CZ2 3.74Å; F530-W560 HydrophobicContact CZ-CZ3 4.24Å; Y535-W560 AromaticContact CD1-CD1 3.48Å; Y535-W560 VanDerWaalsContact CD1-CD1 3.48Å; Y535-W560 AromaticContact CD1-NE1 3.31Å; Y535-W560 VanDerWaalsContact CD1-NE1 3.31Å; Y535-W560 HydrophobicContact CD2-CZ2 4.34Å; Y535-W560 AromaticContact CD2-NE1 3.27Å; Y535-W560 VanDerWaalsContact CD2-NE1 3.27Å; Y535-W560 AromaticContact CE1-CD1 3.49Å; Y535-W560 VanDerWaalsContact CE1-CD1 3.49Å; Y535-W560 AromaticContact CE1-NE1 3.36Å; Y535-W560 HydrophobicContact CE2-CZ2 4.4Å; Y535-W560 AromaticContact CE2-NE1 3.29Å; Y535-W560 VanDerWaalsContact CE2-NE1 3.29Å; Y535-W560 AromaticContact CG-CD1 3.91Å; Y535-W560 AromaticContact CG-NE1 3.29Å; Y535-W560 VanDerWaalsContact CG-NE1 3.29Å; Y535-W560 AromaticContact CZ-CD1 3.9Å; Y535-W560 AromaticContact CZ-NE1 3.35Å; I556-W560 HydrophobicContact CG2-CB 3.87Å; I556-W560 HydrophobicContact CG2-CG 4.32Å; I556-W560 WeakPolarHBondContact O-CA 3.47Å; I556-W560 WeakPolarHBondContact O-CB 3.43Å; I556-W560 PolarHBondContact O-N 3.45Å
561	L	82.8	Confident	70.8	Confident	14 Å²	14	67 Å²	67	7%	0.073	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-17.9	-177.9	-52.6	-178	0	0	0	113.4	V201 F207 M229 V234 I556 A557 C563	V201-L561 HydrophobicContact CG1-CB 4.07Å; V201-L561 HydrophobicContact CG1-CD1 4.04Å; V201-L561 HydrophobicContact CG1-CD2 4.37Å; V201-L561 HydrophobicContact CG1-CG 4.39Å; V201-L561 VanDerWaalsContact O-CD1 3.3Å; V201-L561 WeakPolarHBondContact O-CD1 3.4Å; F207-L561 HydrophobicContact CE2-CD1 4.01Å; F207-L561 HydrophobicContact CE2-CD2 4.09Å; F207-L561 HydrophobicContact CE2-CG 4.44Å; F207-L561 HydrophobicContact CZ-CD1 3.96Å; F207-L561 HydrophobicContact CZ-CD2 3.85Å; F207-L561 HydrophobicContact CZ-CG 4.48Å; M229-L561 HydrophobicContact CE-CD2 4.32Å; V234-L561 HydrophobicContact CG2-CD2 3.95Å; I556-L561 HydrophobicContact CG2-CG 4.4Å; I556-L561 PolarHBondContact O-N 3.43Å; A557-L561 WeakPolarHBondContact O-CB 3.38Å; L561-C563 VanDerWaalsContact C-N 3.25Å; L561-C563 VanDerWaalsContact CB-SG 3.57Å
562	G	75.9	Confident	68.6	Low	56 Å²	56	75.9 Å²	75.9	58%	0.577	44%	0.438	S	S	*	.			trans	70.2	23.3	-175.5	0	0	0	0	0	113	A557 K558	A557-G562 PolarHBondContact O-N 3.34Å; K558-G562 PolarHBondContact O-N 3.02Å
563	C	83	Confident	67.8	Low	11 Å²	11	78.2 Å²	78.2	7%	0.074	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-71.4	139.4	176.2	-59.7	0	0	0	0	110.1	C202 A557 L561	C202-C563 WeakPolarHBondContact CA-SG 3.39Å; C202-C563 HydrophobicContact CB-CB 3.81Å; C202-C563 WeakPolarHBondContact CB-SG 3.32Å; C202-C563 WeakPolarHBondContact SG-CB 3.25Å; C202-C563 CovalentContact SG-SG 2.03Å; C202-C563 PolarHBondContact SG-SG 3Å; A557-C563 HydrophobicContact CB-CB 4.08Å; A557-C563 VanDerWaalsContact O-CB 3.3Å; A557-C563 WeakPolarHBondContact O-CB 3.47Å; A557-C563 PolarHBondContact O-N 3.01Å; L561-C563 VanDerWaalsContact C-N 3.25Å; L561-C563 VanDerWaalsContact CB-SG 3.57Å
564	P	75.6	Confident	66.5	Low	114 Å²	114	79.8 Å²	79.8	74%	0.74	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-62.4	147.5	172.4	28.4	-35	0	0	0	110.4
565	D	65.6	Low	65.3	Low	91 Å²	91	83.3 Å²	83.3	49%	0.487	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-58.1	137	177.1	-72.7	-42.4	0	0	0	110.9	K558 S567	K558-D565 WeakPolarHBondContact CD-OD1 3.21Å; K558-D565 IonicContact NZ-OD1 2.82Å; K558-D565 PolarHBondContact NZ-OD1 2.79Å; K558-D565 IonicContact NZ-OD2 2.65Å; K558-D565 PolarHBondContact NZ-OD2 2.82Å; D565-S567 PolarHBondContact O-N 3.47Å
566	P	57.2	Low	64	Low	101 Å²	101	86.1 Å²	86.1	66%	0.656	50%	0.498	S	S	*	.			trans	-67	97.7	177	27.4	-33.7	0	0	0	109.9	G568 A569	P566-G568 PolarHBondContact O-N 3.44Å; P566-A569 HydrophobicContact CG-CB 4.48Å; P566-A569 PolarHBondContact O-N 2.8Å
567	S	41.4	Very low	62.5	Low	126 Å²	126	91.1 Å²	91.1	88%	0.881	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	102.1	-167.3	57.4	0	0	0	0	112.8	D565	D565-S567 PolarHBondContact O-N 3.47Å
568	G	42.6	Very low	60.9	Low	66 Å²	66	95.4 Å²	95.4	68%	0.68	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.1	-1.5	172.4	0	0	0	0	0	116.6	P566	P566-G568 PolarHBondContact O-N 3.44Å
569	A	39.1	Very low	59.3	Low	79 Å²	79	97 Å²	97	65%	0.653	57%	0.565	S	S	*	*	S	Bend	trans	-71.2	-43.9	179.7	0	0	0	0	0	113.5	P566 K571	P566-A569 HydrophobicContact CG-CB 4.48Å; P566-A569 PolarHBondContact O-N 2.8Å; A569-K571 VanDerWaalsContact C-N 3.33Å; A569-K571 PolarHBondContact O-N 3.15Å
570	E	38.5	Very low	57.7	Low	181 Å²	181	101.3 Å²	101.3	85%	0.846	60%	0.596	S	S	*	*	S	Bend	trans	-92.1	53.1	-176.1	-63.9	-169.6	143.1	0	0	112.9
571	K	35.8	Very low	55.7	Low	188 Å²	188	109.2 Å²	109.2	82%	0.817	64%	0.643	S	S	*	*			trans	-130	82.6	165.3	-80	-167.4	175.9	-178	0	111.6	A569	A569-K571 VanDerWaalsContact C-N 3.33Å; A569-K571 PolarHBondContact O-N 3.15Å
572	K	30.9	Very low	53.2	Low	283 Å²	283	117.8 Å²	117.8	100%	1.23	70%	0.695	S	S	*	*			trans	-157.9	0	162.5	-126.3	174.1	-176.1	177.3	0	112.6

Retrieved 572 of 572 residues in 224.2 ms (Link to these results)

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