A0A096M333_POEFO Loading...

Tubulointerstitial nephritis antigen like 1

AlphaFold DB , UniProt , Accession A0A096M333, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 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	32.4	Very low	34.4	Very low	248 Å²	248	132.8 Å²	132.8	100%	1.222	78%	0.784	S	S	*	*				0	127.8	0	-71.8	177.2	-169.6	0	0	107.8
2	G	30.5	Very low	33.9	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	79%	0.789	S	S	*	*			trans	89.6	145.2	163.4	0	0	0	0	0	116.2
3	P	53.9	Low	33.4	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	79%	0.789	S	S	*	*			trans	-126.4	-169.9	-131.9	26.7	-3.4	0	0	0	113.9
4	I	33.3	Very low	33.1	Very low	148 Å²	148	133 Å²	133	76%	0.759	79%	0.785	S	S	*	*			trans	123.1	99.9	143.9	-59	160.6	0	0	0	116.4
5	V	35.8	Very low	32.7	Very low	116 Å²	116	130.3 Å²	130.3	70%	0.703	78%	0.784	S	S	*	*			trans	-3.9	134.5	135.4	-162.5	0	0	0	0	118.6
6	L	33.4	Very low	32.4	Very low	142 Å²	142	133.5 Å²	133.5	74%	0.743	79%	0.788	S	S	*	*				162.1	119.4	114.8	-108.1	105	0	0	0	114.2
7	T	33.7	Very low	32.3	Very low	118 Å²	118	136.7 Å²	136.7	72%	0.724	79%	0.793	S	S	*	*				53.3	123.8	129.8	58.7	0	0	0	0	124.3
8	A	31.7	Very low	31.9	Very low	86 Å²	86	133.6 Å²	133.6	71%	0.711	80%	0.796	S	S	*	*				89.6	151.4	118.3	0	0	0	0	0	123.2
9	L	31.9	Very low	31.7	Very low	158 Å²	158	133.3 Å²	133.3	83%	0.827	80%	0.8	S	S	*	*			trans	86.5	143.2	166.3	-80.9	102.4	0	0	0	118.5
10	V	31.4	Very low	31.7	Very low	109 Å²	109	131.6 Å²	131.6	66%	0.661	80%	0.801	S	S	*	*			cis	173.3	142.5	-21.1	130.4	0	0	0	0	106.1
11	L	30.7	Very low	31.6	Very low	145 Å²	145	133.1 Å²	133.1	76%	0.759	81%	0.805	S	S	*	*			trans	21.3	140.7	154.8	-71.3	122.3	0	0	0	123.9
12	L	27.5	Very low	31.4	Very low	161 Å²	161	132.5 Å²	132.5	84%	0.843	79%	0.789	S	S	*	*			trans	-172.9	119.4	132.8	-92.1	134.3	0	0	0	107
13	L	28.5	Very low	31.4	Very low	151 Å²	151	136.2 Å²	136.2	79%	0.791	79%	0.79	S	S	*	*				100	142	56.8	-94.4	166.1	0	0	0	114
14	A	28.3	Very low	30.2	Very low	89 Å²	89	139.7 Å²	139.7	74%	0.736	80%	0.796	S	S	*	*			trans	84.7	111.6	166.3	0	0	0	0	0	117.9
15	A	27.1	Very low	29.9	Very low	92 Å²	92	139 Å²	139	76%	0.76	79%	0.794	S	S	*	*				68.5	132.5	78.2	0	0	0	0	0	111.2
16	Q	28.8	Very low	29.5	Very low	182 Å²	182	144.8 Å²	144.8	85%	0.85	80%	0.803	S	S	*	*			cis	-171.9	149.9	35.2	-131	164.6	-22.6	0	0	104.3
17	E	29.6	Very low	29.2	Very low	188 Å²	188	148.8 Å²	148.8	88%	0.879	81%	0.808	S	S	*	*				-174.9	139.8	80.2	-81.5	-173	155.1	0	0	109
18	G	25.2	Very low	29.1	Very low	81 Å²	81	149.5 Å²	149.5	84%	0.835	81%	0.813	S	S	*	*			trans	-105.3	157.4	171	0	0	0	0	0	111.9
19	S	28.3	Very low	29	Very low	127 Å²	127	157.2 Å²	157.2	89%	0.888	82%	0.824	S	S	*	*			trans	-131	139.2	156.1	50.3	0	0	0	0	108.9
20	A	32.5	Very low	28.9	Very low	99 Å²	99	160.1 Å²	160.1	82%	0.818	82%	0.824	S	S	*	*			trans	-73.8	144.2	-163	0	0	0	0	0	113.1
21	D	28.5	Very low	28.9	Very low	164 Å²	164	164 Å²	164	88%	0.877	84%	0.835	S	S	*	*			trans	-148.5	150.6	138.4	-126.9	-24.9	0	0	0	113.7
22	R	29.1	Very low	28.8	Very low	235 Å²	235	164.1 Å²	164.1	89%	0.887	84%	0.835	S	S	*	*			trans	-67	145.8	-153.4	-109.2	165	165.7	177.7	-4.2	116.4	Q24	R22-Q24 PolarHBondContact O-N 3.41Å
23	I	29.3	Very low	29	Very low	151 Å²	151	161.4 Å²	161.4	77%	0.774	84%	0.836	S	S	*	*			trans	-62.5	118.9	174.3	-64	162.7	0	0	0	111.8	N25	I23-N25 HydrophobicContact CG2-CB 4.23Å
24	Q	28.7	Very low	29.2	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	82%	0.821	S	S	*	*			trans	-118.1	105.7	149.1	-91	-169.4	-11.1	0	0	108.9	R22 R26	R22-Q24 PolarHBondContact O-N 3.41Å; Q24-R26 PolarHBondContact O-N 3.14Å
25	N	27.4	Very low	29.3	Very low	132 Å²	132	158.8 Å²	158.8	71%	0.706	82%	0.822	S	S	*	*			trans	-79.4	84.5	-174.2	-139.4	-8.5	0	0	0	110.1	I23 R27	I23-N25 HydrophobicContact CG2-CB 4.23Å; N25-R27 PolarHBondContact O-N 2.92Å
26	R	27.8	Very low	29.6	Very low	239 Å²	239	159.7 Å²	159.7	90%	0.902	81%	0.813	S	S	*	*			trans	-80.4	93.6	163.4	-91.8	-175.4	169.7	-178.3	-2	108.6	Q24 T28	Q24-R26 PolarHBondContact O-N 3.14Å; R26-T28 PolarHBondContact O-N 2.83Å
27	R	27.2	Very low	30	Very low	226 Å²	226	157.8 Å²	157.8	85%	0.853	80%	0.804	S	S	*	*			trans	-68.1	111.1	166.2	-80.5	-178.4	174.9	174.9	-1.2	109	N25	N25-R27 PolarHBondContact O-N 2.92Å
28	T	31	Very low	30.3	Very low	133 Å²	133	153.7 Å²	153.7	82%	0.816	80%	0.803	S	S	*	*			trans	-65	143.6	162.1	41	0	0	0	0	109.9	R26 R30	R26-T28 PolarHBondContact O-N 2.83Å; T28-R30 PolarHBondContact O-N 3.17Å
29	R	29.6	Very low	30.8	Very low	248 Å²	248	152.9 Å²	152.9	94%	0.936	79%	0.794	S	S	*	*			trans	-60	102.1	-176.3	-151.1	178.6	-169.4	177.9	1	109.3	E31	R29-E31 PolarHBondContact O-N 3Å
30	R	29.7	Very low	31.2	Very low	219 Å²	219	149.6 Å²	149.6	83%	0.826	78%	0.78	S	S	*	*			trans	-68.9	113	160.2	-95.4	-178.8	172.9	178.1	-2.9	106.8	T28 L32	T28-R30 PolarHBondContact O-N 3.17Å; R30-L32 VanDerWaalsContact C-N 3.29Å; R30-L32 HydrophobicContact CB-CG 4.5Å; R30-L32 PolarHBondContact O-N 2.96Å
31	E	32.3	Very low	31.3	Very low	191 Å²	191	149.6 Å²	149.6	89%	0.893	77%	0.765	S	S	*	*			trans	-62.8	98.4	157.2	-75.4	-178.5	159	0	0	107.3	R29 A33	R29-E31 PolarHBondContact O-N 3Å; E31-A33 PolarHBondContact O-N 2.97Å
32	L	28.9	Very low	32.1	Very low	146 Å²	146	147.5 Å²	147.5	76%	0.764	75%	0.745	S	S	*	*			trans	-78.3	96.7	169.4	-74.9	161.4	0	0	0	106.9	R30 S34	R30-L32 VanDerWaalsContact C-N 3.29Å; R30-L32 HydrophobicContact CB-CG 4.5Å; R30-L32 PolarHBondContact O-N 2.96Å; L32-S34 PolarHBondContact O-N 3.43Å
33	A	30.2	Very low	32.7	Very low	104 Å²	104	139.1 Å²	139.1	86%	0.86	72%	0.718	S	S	*	*			trans	-60	108.3	158.3	0	0	0	0	0	107.4	E31	E31-A33 PolarHBondContact O-N 2.97Å
34	S	33.6	Very low	33.3	Very low	69 Å²	69	134.1 Å²	134.1	48%	0.483	70%	0.696	S	S	.	*			trans	-85.5	142.8	-177.3	-172.5	0	0	0	0	110.8	L32 L36	L32-S34 PolarHBondContact O-N 3.43Å; S34-L36 PolarHBondContact O-N 3.14Å
35	P	31.1	Very low	34.2	Very low	117 Å²	117	131.4 Å²	131.4	76%	0.76	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-70.8	1	-175.4	-9.7	26.3	0	0	0	114.7	H37 A38	P35-H37 PolarHBondContact O-N 2.71Å; P35-H37 VanDerWaalsContact O-N 3.16Å; P35-A38 PolarHBondContact O-N 2.85Å
36	L	33.6	Very low	35.4	Very low	110 Å²	110	126.2 Å²	126.2	58%	0.576	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-66.4	-15	-172.1	-77.4	159	0	0	0	114.6	S34	S34-L36 PolarHBondContact O-N 3.14Å
37	H	37	Very low	36.7	Very low	143 Å²	143	117.4 Å²	117.4	66%	0.662	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-76.4	-20.2	178	-103.1	63	0	0	0	114.2	P35	P35-H37 PolarHBondContact O-N 2.71Å; P35-H37 VanDerWaalsContact O-N 3.16Å
38	A	36	Very low	38.2	Very low	102 Å²	102	107.9 Å²	107.9	84%	0.843	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-83.1	-12	-176.3	0	0	0	0	0	113.8	P35	P35-A38 PolarHBondContact O-N 2.85Å
39	G	35.7	Very low	39.6	Very low	63 Å²	63	101.7 Å²	101.7	65%	0.649	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-108.6	5.3	-169.7	0	0	0	0	0	116.4	I41	G39-I41 VanDerWaalsContact C-N 3.26Å; G39-I41 PolarHBondContact O-N 3.12Å
40	G	36	Very low	40.9	Very low	59 Å²	59	95.4 Å²	95.4	61%	0.608	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	18.4	172.4	0	0	0	0	0	116.1	R42	G40-R42 PolarHBondContact O-N 3.28Å
41	I	35.3	Very low	42.4	Very low	98 Å²	98	93.7 Å²	93.7	50%	0.503	53%	0.532	S	S	.	.			trans	-74.6	107.8	164.8	-59.1	178.4	0	0	0	106.5	G39	G39-I41 VanDerWaalsContact C-N 3.26Å; G39-I41 PolarHBondContact O-N 3.12Å
42	R	45.4	Very low	43.8	Very low	121 Å²	121	93 Å²	93	46%	0.457	52%	0.521	S	S	.	.			trans	-120.1	136.1	173	-68	-166.5	-179.8	-180	1.7	109.9	G40 P44 G114 T125	G40-R42 PolarHBondContact O-N 3.28Å; R42-P44 WeakPolarHBondContact O-CD 3.12Å; R42-G114 WeakPolarHBondContact CD-O 3.48Å; R42-G114 PolarHBondContact NH1-O 3.06Å; R42-T125 PolarHBondContact NH1-OG1 3.1Å; R42-T125 PolarHBondContact NH2-OG1 3.15Å
43	D	41.5	Very low	45.1	Very low	58 Å²	58	89.8 Å²	89.8	31%	0.31	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-54.2	120	-166.9	-52.9	-50	0	0	0	111.6	S83 D84	D43-S83 PolarHBondContact OD2-OG 3.04Å; D43-D84 WeakPolarHBondContact CB-O 3.48Å; D43-D84 PolarHBondContact OD2-N 2.91Å; D43-D84 VanDerWaalsContact OD2-O 3.13Å
44	P	42.3	Very low	46.5	Very low	47 Å²	47	87 Å²	87	31%	0.305	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-69	159.2	171.6	10.3	-9.9	0	0	0	111.7	R42 Y67 L68 P87	R42-P44 WeakPolarHBondContact O-CD 3.12Å; P44-Y67 WeakPolarHBondContact CA-OH 3.23Å; P44-Y67 HydrophobicContact CB-CE1 4.07Å; P44-Y67 WeakPolarHBondContact CB-OH 3.48Å; P44-Y67 VanDerWaalsContact CD-CE1 3.46Å; P44-Y67 HydrophobicContact CG-CD1 4.28Å; P44-Y67 HydrophobicContact CG-CE1 3.35Å; P44-Y67 WeakPolarHBondContact CG-OH 3.21Å; P44-Y67 PolarHBondContact O-OH 3.33Å; P44-L68 HydrophobicContact CG-CD1 3.67Å; P44-L68 HydrophobicContact CG-CG 4.22Å; P44-P87 WeakPolarHBondContact O-CB 3.34Å; P44-P87 WeakPolarHBondContact O-CG 3.36Å
45	Y	47.6	Very low	47.9	Very low	134 Å²	134	84.7 Å²	84.7	53%	0.525	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-75.9	147.6	-177.1	-69	-92.2	0	0	0	112.2	Y67 Y112 Q115	Y45-Y67 PolarHBondContact O-OH 3.23Å; Y45-Y67 VanDerWaalsContact O-OH 3.1Å; Y45-Y112 AromaticContact CE1-CD2 3.77Å; Y45-Y112 HydrophobicContact CE1-CD2 3.77Å; Y45-Y112 HydrophobicContact CE1-CE2 4.35Å; Y45-Y112 AromaticContact CZ-CD2 3.93Å; Y45-Q115 HydrophobicContact CE2-CG 3.96Å; Y45-Q115 VanDerWaalsContact CZ-CD 3.44Å; Y45-Q115 WeakPolarHBondContact OH-CG 3.39Å; Y45-Q115 PolarHBondContact OH-NE2 2.97Å; Y45-Q115 PolarHBondContact OH-OE1 3.23Å
46	G	52.7	Low	49	Very low	23 Å²	23	82.9 Å²	82.9	24%	0.237	48%	0.478	C	S	.	.			trans	-165.7	140.8	175.1	0	0	0	0	0	115.8	Y48	G46-Y48 PolarHBondContact O-N 3.05Å
47	S	53.4	Low	49.9	Very low	54 Å²	54	83.8 Å²	83.8	38%	0.378	49%	0.49	S	S	.	.			trans	-86.8	42	164.9	54.6	0	0	0	0	111	H50 R51	S47-H50 PolarHBondContact O-N 3.47Å; S47-R51 PolarHBondContact O-N 2.98Å; S47-R51 PolarHBondContact OG-NE 3.22Å
48	Y	60.3	Low	50.8	Low	27 Å²	27	80.4 Å²	80.4	11%	0.106	49%	0.493	C	S	.	.	H	α-helix	trans	-65	-54.1	-161.8	172.2	-97.6	0	0	0	112.1	G46 H50 R51 R52 V65 D88	G46-Y48 PolarHBondContact O-N 3.05Å; Y48-H50 VanDerWaalsContact C-N 3.27Å; Y48-H50 PolarHBondContact O-N 3.49Å; Y48-R51 PolarHBondContact O-N 2.65Å; Y48-R52 PolarHBondContact O-N 3.03Å; Y48-V65 HydrophobicContact CE2-CB 3.47Å; Y48-V65 VanDerWaalsContact CE2-CB 3.47Å; Y48-V65 HydrophobicContact CE2-CG1 3.72Å; Y48-V65 HydrophobicContact CE2-CG2 3.73Å; Y48-V65 WeakPolarHBondContact OH-CB 3.34Å; Y48-V65 WeakPolarHBondContact OH-CG2 3.4Å; Y48-D88 PolarHBondContact N-OD2 2.73Å
49	C	59.1	Low	51.4	Low	2 Å²	2	84.9 Å²	84.9	1%	0.014	49%	0.489	C	S	.	.	H	α-helix	trans	-63.6	-35.8	174.8	-76	0	0	0	0	111.9	R52 G53 G54 C55 C74 D88 R92	C49-R52 PolarHBondContact O-N 2.81Å; C49-G53 PolarHBondContact O-N 2.87Å; C49-G54 PolarHBondContact O-N 3.45Å; C49-C55 VanDerWaalsContact CA-SG 3.56Å; C49-C55 HydrophobicContact CB-CB 3.85Å; C49-C55 WeakPolarHBondContact CB-SG 3.49Å; C49-C55 WeakPolarHBondContact SG-CB 3.46Å; C49-C55 CovalentContact SG-SG 2.04Å; C49-C55 PolarHBondContact SG-SG 2.82Å; C49-C74 PolarHBondContact SG-SG 2.77Å; C49-D88 WeakPolarHBondContact CB-OD2 3.33Å; C49-D88 PolarHBondContact N-OD1 2.96Å; C49-D88 PolarHBondContact N-OD2 2.58Å; C49-R92 HydrophobicContact CB-CB 4.13Å; C49-R92 HydrophobicContact CB-CG 4.27Å
50	H	56.9	Low	52.3	Low	117 Å²	117	86.2 Å²	86.2	54%	0.542	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-42.9	179.8	-176.2	61.8	0	0	0	113	S47 Y48 R52 G53 D88 R92	S47-H50 PolarHBondContact O-N 3.47Å; Y48-H50 VanDerWaalsContact C-N 3.27Å; Y48-H50 PolarHBondContact O-N 3.49Å; H50-R52 PolarHBondContact O-N 3.25Å; H50-G53 PolarHBondContact O-N 3.26Å; H50-D88 PolarHBondContact N-OD2 3.18Å; H50-R92 PolarHBondContact ND1-NH2 2.98Å
51	R	61.4	Low	53.3	Low	183 Å²	183	87.6 Å²	87.6	69%	0.691	47%	0.474	S	S	*	.	H	α-helix	trans	-68.5	-21.1	178	-76.8	-174.5	-75.9	-172.3	-1.9	113.6	S47 Y48	S47-R51 PolarHBondContact O-N 2.98Å; S47-R51 PolarHBondContact OG-NE 3.22Å; Y48-R51 PolarHBondContact O-N 2.65Å
52	R	61.5	Low	54.2	Low	175 Å²	175	90.4 Å²	90.4	66%	0.66	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	1.1	-176.4	-71.4	-107.5	176.6	168.7	-0.6	113.7	Y48 C49 H50	Y48-R52 PolarHBondContact O-N 3.03Å; C49-R52 PolarHBondContact O-N 2.81Å; H50-R52 PolarHBondContact O-N 3.25Å
53	G	57.7	Low	54.6	Low	79 Å²	79	86.9 Å²	86.9	81%	0.814	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	13.2	173.6	0	0	0	0	0	115.2	C49 H50	C49-G53 PolarHBondContact O-N 2.87Å; H50-G53 PolarHBondContact O-N 3.26Å
54	G	59	Low	55.5	Low	46 Å²	46	86.1 Å²	86.1	47%	0.474	48%	0.48	S	S	.	.			trans	146.9	155.1	168.4	0	0	0	0	0	115.1	C49	C49-G54 PolarHBondContact O-N 3.45Å
55	C	62.1	Low	56.1	Low	21 Å²	21	85.3 Å²	85.3	14%	0.142	47%	0.474	C	S	.	.			trans	-138.3	135.6	169.3	-69.9	0	0	0	0	108.6	C49 C74 C93	C49-C55 VanDerWaalsContact CA-SG 3.56Å; C49-C55 HydrophobicContact CB-CB 3.85Å; C49-C55 WeakPolarHBondContact CB-SG 3.49Å; C49-C55 WeakPolarHBondContact SG-CB 3.46Å; C49-C55 CovalentContact SG-SG 2.04Å; C49-C55 PolarHBondContact SG-SG 2.82Å; C55-C74 HydrophobicContact CB-CB 3.84Å; C55-C74 PolarHBondContact SG-SG 3.32Å; C55-C93 VanDerWaalsContact CB-SG 3.54Å
56	C	55.5	Low	56.6	Low	79 Å²	79	83.6 Å²	83.6	53%	0.534	48%	0.48	S	S	.	.			trans	90.9	152.6	179.8	-53.5	0	0	0	0	118.4	C93	C56-C93 WeakPolarHBondContact SG-CB 3.05Å; C56-C93 VanDerWaalsContact SG-SG 3.65Å
57	P	50.9	Low	56.6	Low	129 Å²	129	85 Å²	85	84%	0.838	48%	0.478	S	S	*	.	S	Bend	cis	-120.2	159.7	-1.2	38.9	-24.5	0	0	0	116.3
58	G	55.6	Low	56.9	Low	71 Å²	71	88.7 Å²	88.7	73%	0.732	49%	0.493	S	S	*	.	S	Bend	trans	93.5	117.5	173.1	0	0	0	0	0	112.8	D60	G58-D60 PolarHBondContact O-N 3.35Å; G58-D60 VanDerWaalsContact O-N 3.1Å
59	R	50.1	Low	56.3	Low	197 Å²	197	93.9 Å²	93.9	74%	0.743	52%	0.522	S	S	*	.			trans	-33.8	111.7	-171.1	178.1	-178.3	170	-171	-6.8	113.1	D61	R59-D61 WeakPolarHBondContact CG-OD1 3.28Å; R59-D61 IonicContact CZ-OD1 2.78Å; R59-D61 IonicContact CZ-OD2 2.83Å; R59-D61 IonicContact NE-OD1 3.53Å; R59-D61 PolarHBondContact NE-OD1 3.4Å; R59-D61 IonicContact NE-OD2 3.32Å; R59-D61 PolarHBondContact NE-OD2 3.09Å; R59-D61 IonicContact NH2-OD1 3.3Å; R59-D61 PolarHBondContact NH2-OD1 2.93Å; R59-D61 IonicContact NH2-OD2 2.94Å; R59-D61 PolarHBondContact NH2-OD2 2.87Å
60	D	53.6	Low	56	Low	91 Å²	91	97.7 Å²	97.7	49%	0.487	55%	0.546	S	S	.	.			trans	-120.5	100.6	172	-174.5	1.4	0	0	0	109	G58 L62 C63	G58-D60 PolarHBondContact O-N 3.35Å; G58-D60 VanDerWaalsContact O-N 3.1Å; D60-L62 PolarHBondContact O-N 3.3Å; D60-L62 VanDerWaalsContact O-N 3.1Å; D60-L62 WeakPolarHBondContact OD1-CB 3.22Å; D60-L62 PolarHBondContact OD1-N 3.16Å; D60-C63 HydrophobicContact CB-CB 4.17Å; D60-C63 PolarHBondContact O-N 2.77Å
61	D	57.5	Low	56	Low	88 Å²	88	95.9 Å²	95.9	47%	0.471	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.3	177.9	-67.1	-12.4	0	0	0	112.1	R59	R59-D61 WeakPolarHBondContact CG-OD1 3.28Å; R59-D61 IonicContact CZ-OD1 2.78Å; R59-D61 IonicContact CZ-OD2 2.83Å; R59-D61 IonicContact NE-OD1 3.53Å; R59-D61 PolarHBondContact NE-OD1 3.4Å; R59-D61 IonicContact NE-OD2 3.32Å; R59-D61 PolarHBondContact NE-OD2 3.09Å; R59-D61 IonicContact NH2-OD1 3.3Å; R59-D61 PolarHBondContact NH2-OD1 2.93Å; R59-D61 IonicContact NH2-OD2 2.94Å; R59-D61 PolarHBondContact NH2-OD2 2.87Å
62	L	53.8	Low	56	Low	157 Å²	157	87.3 Å²	87.3	82%	0.822	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.4	172.7	-56.8	169.9	0	0	0	112.9	D60 T64	D60-L62 PolarHBondContact O-N 3.3Å; D60-L62 VanDerWaalsContact O-N 3.1Å; D60-L62 WeakPolarHBondContact OD1-CB 3.22Å; D60-L62 PolarHBondContact OD1-N 3.16Å; L62-T64 VanDerWaalsContact C-N 3.28Å; L62-T64 PolarHBondContact O-N 2.92Å
63	C	55.2	Low	56	Low	46 Å²	46	83.1 Å²	83.1	31%	0.311	49%	0.492	S	S	.	.	S	Bend	trans	-93.5	50.1	176.7	-161.2	0	0	0	0	111.6	D60	D60-C63 HydrophobicContact CB-CB 4.17Å; D60-C63 PolarHBondContact O-N 2.77Å
64	T	59.4	Low	56.2	Low	43 Å²	43	80.2 Å²	80.2	26%	0.264	46%	0.46	S	S	.	.			trans	-120.8	137	-179.3	62.7	0	0	0	0	110.5	L62 I71 Y73	L62-T64 VanDerWaalsContact C-N 3.28Å; L62-T64 PolarHBondContact O-N 2.92Å; T64-I71 HydrophobicContact CG2-CG2 4.12Å; T64-Y73 HydrophobicContact CG2-CD1 3.53Å; T64-Y73 HydrophobicContact CG2-CE1 3.27Å; T64-Y73 HydrophobicContact CG2-CG 4.46Å
65	V	55.1	Low	56.3	Low	29 Å²	29	80.9 Å²	80.9	18%	0.176	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.3	168.1	166.9	0	0	0	0	110.4	Y48 Y67 C72	Y48-V65 HydrophobicContact CE2-CB 3.47Å; Y48-V65 VanDerWaalsContact CE2-CB 3.47Å; Y48-V65 HydrophobicContact CE2-CG1 3.72Å; Y48-V65 HydrophobicContact CE2-CG2 3.73Å; Y48-V65 WeakPolarHBondContact OH-CB 3.34Å; Y48-V65 WeakPolarHBondContact OH-CG2 3.4Å; V65-Y67 PolarHBondContact O-N 2.77Å; V65-C72 PolarHBondContact O-N 3.05Å
66	P	57.9	Low	56.1	Low	99 Å²	99	86.3 Å²	86.3	64%	0.643	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	125.8	168.4	-20.9	31.6	0	0	0	110.7	T70	P66-T70 CarbonylContact C-O 3.06Å; P66-T70 WeakPolarHBondContact CA-O 3.34Å
67	Y	53.6	Low	56.3	Low	53 Å²	53	88.4 Å²	88.4	21%	0.208	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	110	175.9	-167	-118.5	0	0	0	108.4	P44 Y45 V65 D69 T70 C72 P87	P44-Y67 WeakPolarHBondContact CA-OH 3.23Å; P44-Y67 HydrophobicContact CB-CE1 4.07Å; P44-Y67 WeakPolarHBondContact CB-OH 3.48Å; P44-Y67 VanDerWaalsContact CD-CE1 3.46Å; P44-Y67 HydrophobicContact CG-CD1 4.28Å; P44-Y67 HydrophobicContact CG-CE1 3.35Å; P44-Y67 WeakPolarHBondContact CG-OH 3.21Å; P44-Y67 PolarHBondContact O-OH 3.33Å; Y45-Y67 PolarHBondContact O-OH 3.23Å; Y45-Y67 VanDerWaalsContact O-OH 3.1Å; V65-Y67 PolarHBondContact O-N 2.77Å; Y67-D69 PolarHBondContact O-N 3.23Å; Y67-T70 PolarHBondContact N-O 2.89Å; Y67-T70 VanDerWaalsContact O-CG2 3.24Å; Y67-T70 WeakPolarHBondContact O-CG2 3.23Å; Y67-T70 PolarHBondContact O-N 3.38Å; Y67-T70 VanDerWaalsContact O-N 3.15Å; Y67-C72 WeakPolarHBondContact CB-SG 3.33Å; Y67-P87 HydrophobicContact CE1-CG 3.98Å
68	L	58.9	Low	56.5	Low	131 Å²	131	82.3 Å²	82.3	69%	0.686	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-121	-162	-58.1	178.5	0	0	0	111	P44	P44-L68 HydrophobicContact CG-CD1 3.67Å; P44-L68 HydrophobicContact CG-CG 4.22Å
69	D	47.8	Very low	56.7	Low	135 Å²	135	82.2 Å²	82.2	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	3.8	-179.3	63.5	-32.2	0	0	0	113.7	Y67	Y67-D69 PolarHBondContact O-N 3.23Å
70	T	51.7	Low	57	Low	82 Å²	82	77.4 Å²	77.4	50%	0.503	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	168.7	179.6	-171.4	0	0	0	0	112.3	P66 Y67	P66-T70 CarbonylContact C-O 3.06Å; P66-T70 WeakPolarHBondContact CA-O 3.34Å; Y67-T70 PolarHBondContact N-O 2.89Å; Y67-T70 VanDerWaalsContact O-CG2 3.24Å; Y67-T70 WeakPolarHBondContact O-CG2 3.23Å; Y67-T70 PolarHBondContact O-N 3.38Å; Y67-T70 VanDerWaalsContact O-N 3.15Å
71	I	58.7	Low	56.8	Low	79 Å²	79	78.5 Å²	78.5	41%	0.405	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.1	175.1	-60.3	176.5	0	0	0	108.3	T64 Y73	T64-I71 HydrophobicContact CG2-CG2 4.12Å; I71-Y73 HydrophobicContact CB-CE2 3.85Å; I71-Y73 HydrophobicContact CG2-CD2 4.2Å; I71-Y73 HydrophobicContact CG2-CE1 4.32Å; I71-Y73 HydrophobicContact CG2-CE2 3.57Å; I71-Y73 WeakPolarHBondContact O-CD2 3.31Å
72	C	61.1	Low	56.3	Low	4 Å²	4	79.7 Å²	79.7	3%	0.027	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.5	174.9	-69.7	0	0	0	0	110.7	V65 Y67 C85	V65-C72 PolarHBondContact O-N 3.05Å; Y67-C72 WeakPolarHBondContact CB-SG 3.33Å; C72-C85 PolarHBondContact SG-O 2.04Å
73	Y	60.1	Low	56	Low	86 Å²	86	74 Å²	74	34%	0.337	40%	0.398	S	S	.	.			trans	-110.8	148.8	175.2	-64.4	-92.9	0	0	0	109.9	T64 I71 C78	T64-Y73 HydrophobicContact CG2-CD1 3.53Å; T64-Y73 HydrophobicContact CG2-CE1 3.27Å; T64-Y73 HydrophobicContact CG2-CG 4.46Å; I71-Y73 HydrophobicContact CB-CE2 3.85Å; I71-Y73 HydrophobicContact CG2-CD2 4.2Å; I71-Y73 HydrophobicContact CG2-CE1 4.32Å; I71-Y73 HydrophobicContact CG2-CE2 3.57Å; I71-Y73 WeakPolarHBondContact O-CD2 3.31Å; Y73-C78 PolarHBondContact O-SG 2.04Å
74	C	62.2	Low	55.9	Low	19 Å²	19	73.1 Å²	73.1	13%	0.128	39%	0.39	C	S	.	.			trans	-105.3	39	174.2	-66.4	0	0	0	0	112.6	C49 C55	C49-C74 PolarHBondContact SG-SG 2.77Å; C55-C74 HydrophobicContact CB-CB 3.84Å; C55-C74 PolarHBondContact SG-SG 3.32Å
75	D	60.9	Low	55.7	Low	60 Å²	60	72.7 Å²	72.7	32%	0.321	39%	0.389	S	S	.	.	S	Bend	trans	-111.8	178.5	176.9	69.7	8.4	0	0	0	112	F77 C78 F89	D75-F77 PolarHBondContact O-N 3.34Å; D75-F77 WeakPolarHBondContact OD1-CB 3.04Å; D75-F77 PolarHBondContact OD1-N 2.78Å; D75-F77 VanDerWaalsContact OD1-N 3.1Å; D75-C78 PolarHBondContact O-N 3.47Å; D75-F89 WeakPolarHBondContact O-CE2 3.29Å
76	L	59	Low	56.1	Low	134 Å²	134	71.3 Å²	71.3	70%	0.702	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-62.9	-7.1	-177.8	-73.4	168	0	0	0	114.1	C78 N79	L76-C78 PolarHBondContact O-N 3.17Å; L76-N79 HydrophobicContact CD2-CB 4.28Å; L76-N79 WeakPolarHBondContact O-CB 2.96Å; L76-N79 PolarHBondContact O-N 2.82Å
77	F	58.6	Low	56.3	Low	123 Å²	123	68.3 Å²	68.3	54%	0.539	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-65.7	-28.6	171.2	-176.8	-100.6	0	0	0	112.2	D75 N79 R80	D75-F77 PolarHBondContact O-N 3.34Å; D75-F77 WeakPolarHBondContact OD1-CB 3.04Å; D75-F77 PolarHBondContact OD1-N 2.78Å; D75-F77 VanDerWaalsContact OD1-N 3.1Å; F77-N79 VanDerWaalsContact C-N 3.34Å; F77-R80 VanDerWaalsContact CE1-NH2 3.27Å; F77-R80 PolarHBondContact O-NE 2.8Å; F77-R80 VanDerWaalsContact O-NE 3.08Å
78	C	56.7	Low	56.7	Low	1 Å²	1	66.6 Å²	66.6	1%	0.007	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-86.3	-3.2	176.6	-63.7	0	0	0	0	113.4	Y73 D75 L76 R80 C85 F89	Y73-C78 PolarHBondContact O-SG 2.04Å; D75-C78 PolarHBondContact O-N 3.47Å; L76-C78 PolarHBondContact O-N 3.17Å; C78-R80 PolarHBondContact O-N 3.01Å; C78-C85 HydrophobicContact CB-CB 4.46Å; C78-F89 HydrophobicContact CB-CD2 3.98Å; C78-F89 HydrophobicContact CB-CE2 4.28Å; C78-F89 HydrophobicContact CB-CG 4.16Å
79	N	59.6	Low	57.2	Low	70 Å²	70	60.5 Å²	60.5	37%	0.374	32%	0.323	S	S	.	.			trans	-75	76.9	171.4	-171.3	4.7	0	0	0	110.6	L76 F77 F89 W90	L76-N79 HydrophobicContact CD2-CB 4.28Å; L76-N79 WeakPolarHBondContact O-CB 2.96Å; L76-N79 PolarHBondContact O-N 2.82Å; F77-N79 VanDerWaalsContact C-N 3.34Å; N79-F89 HydrophobicContact CB-CE1 3.75Å; N79-F89 HydrophobicContact CB-CZ 3.84Å; N79-W90 WeakPolarHBondContact OD1-CH2 3.4Å
80	R	56.4	Low	58	Low	96 Å²	96	55.9 Å²	55.9	36%	0.362	30%	0.296	S	S	.	.			trans	-125.1	139.2	-178.8	-63.5	-179.6	-175.9	-165.2	-1.8	109.9	F77 C78 V82 S83 W90	F77-R80 VanDerWaalsContact CE1-NH2 3.27Å; F77-R80 PolarHBondContact O-NE 2.8Å; F77-R80 VanDerWaalsContact O-NE 3.08Å; C78-R80 PolarHBondContact O-N 3.01Å; R80-V82 PolarHBondContact O-N 3.3Å; R80-S83 WeakPolarHBondContact CB-O 3.09Å; R80-W90 WeakPolarHBondContact O-CZ2 3.4Å
81	T	48.8	Very low	58.6	Low	114 Å²	114	56.3 Å²	56.3	70%	0.699	30%	0.295	S	S	*	.	S	Bend	trans	-81.9	-10.2	-172.6	47.5	0	0	0	0	114.5
82	V	46.1	Very low	59.2	Low	113 Å²	113	58.4 Å²	58.4	69%	0.685	30%	0.297	S	S	*	.	S	Bend	trans	-128.1	-16.2	-168.7	-166.4	0	0	0	0	113.8	R80	R80-V82 PolarHBondContact O-N 3.3Å
83	S	48.9	Very low	59.5	Low	36 Å²	36	59.3 Å²	59.3	25%	0.252	30%	0.304	S	S	.	.			trans	-155.4	133.6	175.9	159	0	0	0	0	109	D43 R80	D43-S83 PolarHBondContact OD2-OG 3.04Å; R80-S83 WeakPolarHBondContact CB-O 3.09Å
84	D	51.9	Low	59.8	Low	28 Å²	28	58.4 Å²	58.4	15%	0.15	30%	0.304	C	S	.	.			trans	-100.7	95.8	-176.5	-161.1	-5.7	0	0	0	109	D43 C86 F89	D43-D84 WeakPolarHBondContact CB-O 3.48Å; D43-D84 PolarHBondContact OD2-N 2.91Å; D43-D84 VanDerWaalsContact OD2-O 3.13Å; D84-C86 PolarHBondContact O-N 3.37Å; D84-C86 PolarHBondContact OD1-N 2.82Å; D84-F89 WeakPolarHBondContact OD1-CB 2.99Å
85	C	56	Low	60	Low	35 Å²	35	60.4 Å²	60.4	24%	0.236	33%	0.328	C	S	.	.	S	Bend	trans	-57.8	-10.1	174.7	-62.4	0	0	0	0	112.7	C72 C78	C72-C85 PolarHBondContact SG-O 2.04Å; C78-C85 HydrophobicContact CB-CB 4.46Å
86	C	64	Low	60.2	Low	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-139.1	109	170.8	-172.7	0	0	0	0	110.8	D84 D88 F89	D84-C86 PolarHBondContact O-N 3.37Å; D84-C86 PolarHBondContact OD1-N 2.82Å; C86-D88 PolarHBondContact O-N 3.21Å; C86-F89 HydrophobicContact CB-CB 4.26Å; C86-F89 WeakPolarHBondContact O-CB 3.42Å; C86-F89 PolarHBondContact O-N 3.43Å
87	P	61.7	Low	60.2	Low	35 Å²	35	59 Å²	59	23%	0.227	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.8	-162.9	-29.1	35.6	0	0	0	119.1	P44 Y67	P44-P87 WeakPolarHBondContact O-CB 3.34Å; P44-P87 WeakPolarHBondContact O-CG 3.36Å; Y67-P87 HydrophobicContact CE1-CG 3.98Å
88	D	62.5	Low	60.2	Low	17 Å²	17	55.6 Å²	55.6	9%	0.091	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	15.9	177.9	61.5	-19.5	0	0	0	114.3	Y48 C49 H50 C86 R92	Y48-D88 PolarHBondContact N-OD2 2.73Å; C49-D88 WeakPolarHBondContact CB-OD2 3.33Å; C49-D88 PolarHBondContact N-OD1 2.96Å; C49-D88 PolarHBondContact N-OD2 2.58Å; H50-D88 PolarHBondContact N-OD2 3.18Å; C86-D88 PolarHBondContact O-N 3.21Å; D88-R92 HydrophobicContact CB-CG 4.05Å; D88-R92 VanDerWaalsContact O-CB 3.26Å; D88-R92 WeakPolarHBondContact O-CB 3.45Å; D88-R92 PolarHBondContact O-N 3.07Å
89	F	67.8	Low	60	Low	4 Å²	4	58.8 Å²	58.8	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-53	-177.2	175.1	-98.4	0	0	0	113.3	D75 C78 N79 D84 C86 N91 R92 C93 L94	D75-F89 WeakPolarHBondContact O-CE2 3.29Å; C78-F89 HydrophobicContact CB-CD2 3.98Å; C78-F89 HydrophobicContact CB-CE2 4.28Å; C78-F89 HydrophobicContact CB-CG 4.16Å; N79-F89 HydrophobicContact CB-CE1 3.75Å; N79-F89 HydrophobicContact CB-CZ 3.84Å; D84-F89 WeakPolarHBondContact OD1-CB 2.99Å; C86-F89 HydrophobicContact CB-CB 4.26Å; C86-F89 WeakPolarHBondContact O-CB 3.42Å; C86-F89 PolarHBondContact O-N 3.43Å; F89-N91 PolarHBondContact O-N 3.5Å; F89-R92 PolarHBondContact O-N 3.24Å; F89-C93 HydrophobicContact CD2-CB 3.6Å; F89-C93 HydrophobicContact CE2-CB 3.7Å; F89-C93 HydrophobicContact CG-CB 4.24Å; F89-C93 HydrophobicContact CZ-CB 4.42Å; F89-C93 WeakPolarHBondContact O-CA 3.04Å; F89-C93 WeakPolarHBondContact O-CB 3.31Å; F89-C93 PolarHBondContact O-N 2.83Å; F89-L94 HydrophobicContact CD1-CD1 4.35Å; F89-L94 HydrophobicContact CE1-CD1 3.57Å; F89-L94 HydrophobicContact CE1-CD2 4.49Å; F89-L94 HydrophobicContact CE1-CG 3.8Å; F89-L94 HydrophobicContact CZ-CD1 4.15Å; F89-L94 HydrophobicContact CZ-CD2 4.27Å; F89-L94 HydrophobicContact CZ-CG 4Å; F89-L94 PolarHBondContact O-N 3.46Å
90	W	65	Low	59.9	Low	38 Å²	38	61.7 Å²	61.7	14%	0.144	35%	0.35	C	S	.	.	H	α-helix	trans	-60.3	-46.6	-176.2	-71.3	87.4	0	0	0	112.4	N79 R80 L94 G95 V96 P98 P99	N79-W90 WeakPolarHBondContact OD1-CH2 3.4Å; R80-W90 WeakPolarHBondContact O-CZ2 3.4Å; W90-L94 HydrophobicContact CD2-CD1 4.22Å; W90-L94 HydrophobicContact CE3-CD1 3.68Å; W90-L94 HydrophobicContact CH2-CD1 4.48Å; W90-L94 HydrophobicContact CZ3-CD1 3.83Å; W90-L94 CarbonylContact O-C 3.49Å; W90-L94 WeakPolarHBondContact O-CB 3.2Å; W90-L94 PolarHBondContact O-N 3.15Å; W90-G95 PolarHBondContact O-N 3.19Å; W90-G95 VanDerWaalsContact O-N 3.11Å; W90-V96 CarbonylContact C-O 3.51Å; W90-V96 HydrophobicContact CE3-CG2 3.76Å; W90-V96 HydrophobicContact CZ3-CG2 4.41Å; W90-V96 PolarHBondContact O-N 3.04Å; W90-V96 VanDerWaalsContact O-N 3.15Å; W90-P98 HydrophobicContact CB-CB 4.29Å; W90-P98 HydrophobicContact CB-CG 4.48Å; W90-P99 HydrophobicContact CZ3-CG 4.43Å
91	N	65.1	Low	60.2	Low	90 Å²	90	61.3 Å²	61.3	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-74.3	-40.5	-177.8	-169.5	-3.6	0	0	0	112.1	F89 G95 V96	F89-N91 PolarHBondContact O-N 3.5Å; N91-G95 WeakPolarHBondContact O-CA 3.02Å; N91-V96 WeakPolarHBondContact CA-O 3.02Å; N91-V96 PolarHBondContact N-O 3.35Å
92	R	70.8	Confident	61.1	Low	123 Å²	123	59.6 Å²	59.6	46%	0.464	34%	0.34	S	S	.	.	H	α-helix	trans	-91.4	-40.3	-175.1	-65.7	-53.7	-170.8	-165.6	1.9	114.7	C49 H50 D88 F89	C49-R92 HydrophobicContact CB-CB 4.13Å; C49-R92 HydrophobicContact CB-CG 4.27Å; H50-R92 PolarHBondContact ND1-NH2 2.98Å; D88-R92 HydrophobicContact CB-CG 4.05Å; D88-R92 VanDerWaalsContact O-CB 3.26Å; D88-R92 WeakPolarHBondContact O-CB 3.45Å; D88-R92 PolarHBondContact O-N 3.07Å; F89-R92 PolarHBondContact O-N 3.24Å
93	C	67.4	Low	62.8	Low	23 Å²	23	56.7 Å²	56.7	16%	0.155	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-39.3	-176.9	-58.7	0	0	0	0	112.2	C55 C56 F89	C55-C93 VanDerWaalsContact CB-SG 3.54Å; C56-C93 WeakPolarHBondContact SG-CB 3.05Å; C56-C93 VanDerWaalsContact SG-SG 3.65Å; F89-C93 HydrophobicContact CD2-CB 3.6Å; F89-C93 HydrophobicContact CE2-CB 3.7Å; F89-C93 HydrophobicContact CG-CB 4.24Å; F89-C93 HydrophobicContact CZ-CB 4.42Å; F89-C93 WeakPolarHBondContact O-CA 3.04Å; F89-C93 WeakPolarHBondContact O-CB 3.31Å; F89-C93 PolarHBondContact O-N 2.83Å
94	L	66.9	Low	64.5	Low	68 Å²	68	55 Å²	55	36%	0.356	31%	0.311	S	S	.	.	S	Bend	trans	-99.1	-11.7	-179.4	-62.6	-178	0	0	0	113.8	F89 W90 V96	F89-L94 HydrophobicContact CD1-CD1 4.35Å; F89-L94 HydrophobicContact CE1-CD1 3.57Å; F89-L94 HydrophobicContact CE1-CD2 4.49Å; F89-L94 HydrophobicContact CE1-CG 3.8Å; F89-L94 HydrophobicContact CZ-CD1 4.15Å; F89-L94 HydrophobicContact CZ-CD2 4.27Å; F89-L94 HydrophobicContact CZ-CG 4Å; F89-L94 PolarHBondContact O-N 3.46Å; W90-L94 HydrophobicContact CD2-CD1 4.22Å; W90-L94 HydrophobicContact CE3-CD1 3.68Å; W90-L94 HydrophobicContact CH2-CD1 4.48Å; W90-L94 HydrophobicContact CZ3-CD1 3.83Å; W90-L94 CarbonylContact O-C 3.49Å; W90-L94 WeakPolarHBondContact O-CB 3.2Å; W90-L94 PolarHBondContact O-N 3.15Å; L94-V96 HydrophobicContact CB-CG2 3.78Å; L94-V96 PolarHBondContact O-N 3.28Å
95	G	65.6	Low	66.2	Low	61 Å²	61	59.6 Å²	59.6	63%	0.629	33%	0.332	S	S	*	.			trans	64	18.9	-179.5	0	0	0	0	0	113.7	W90 N91	W90-G95 PolarHBondContact O-N 3.19Å; W90-G95 VanDerWaalsContact O-N 3.11Å; N91-G95 WeakPolarHBondContact O-CA 3.02Å
96	V	64.7	Low	67.5	Low	62 Å²	62	61.9 Å²	61.9	38%	0.376	34%	0.335	S	S	.	.	S	Bend	trans	-115.3	140.1	179.8	-64.8	0	0	0	0	110.1	W90 N91 L94	W90-V96 CarbonylContact C-O 3.51Å; W90-V96 HydrophobicContact CE3-CG2 3.76Å; W90-V96 HydrophobicContact CZ3-CG2 4.41Å; W90-V96 PolarHBondContact O-N 3.04Å; W90-V96 VanDerWaalsContact O-N 3.15Å; N91-V96 WeakPolarHBondContact CA-O 3.02Å; N91-V96 PolarHBondContact N-O 3.35Å; L94-V96 HydrophobicContact CB-CG2 3.78Å; L94-V96 PolarHBondContact O-N 3.28Å
97	P	58.6	Low	68.5	Low	103 Å²	103	69 Å²	69	67%	0.669	37%	0.374	S	S	*	.			trans	-59.6	136.9	170.5	24.9	-31.2	0	0	0	108.7
98	P	59.3	Low	69.5	Low	50 Å²	50	71 Å²	71	33%	0.325	40%	0.4	S	S	.	.			trans	-54.2	134.1	179	-5.4	3.8	0	0	0	109.6	W90 F100 I101	W90-P98 HydrophobicContact CB-CB 4.29Å; W90-P98 HydrophobicContact CB-CG 4.48Å; P98-F100 PolarHBondContact O-N 2.96Å; P98-I101 HydrophobicContact CB-CD1 4.41Å; P98-I101 HydrophobicContact CB-CG1 4.33Å; P98-I101 HydrophobicContact CG-CD1 3.8Å; P98-I101 HydrophobicContact CG-CG1 4.24Å
99	P	52.4	Low	70.4	Confident	69 Å²	69	75 Å²	75	45%	0.448	42%	0.422	S	S	.	.	S	Bend	trans	-67.8	-2.5	-161.7	20.3	-30.7	0	0	0	116.1	W90	W90-P99 HydrophobicContact CZ3-CG 4.43Å
100	F	58.6	Low	71	Confident	131 Å²	131	81.3 Å²	81.3	58%	0.575	45%	0.449	S	S	*	.			trans	-150.5	100.2	178.6	-51.9	-79.8	0	0	0	109.7	P98	P98-F100 PolarHBondContact O-N 2.96Å
101	I	60.9	Low	71.5	Confident	88 Å²	88	81.1 Å²	81.1	45%	0.451	45%	0.449	S	S	.	.			trans	-123.5	62.6	172.7	-41.9	178	0	0	0	109	P98 V103 Y112	P98-I101 HydrophobicContact CB-CD1 4.41Å; P98-I101 HydrophobicContact CB-CG1 4.33Å; P98-I101 HydrophobicContact CG-CD1 3.8Å; P98-I101 HydrophobicContact CG-CG1 4.24Å; I101-V103 HydrophobicContact CG2-CG2 4.42Å; I101-Y112 HydrophobicContact CG2-CD1 3.51Å; I101-Y112 HydrophobicContact CG2-CE1 3.99Å
102	D	68.3	Low	72	Confident	78 Å²	78	81.9 Å²	81.9	42%	0.417	45%	0.446	S	S	.	.			trans	-77.5	144.3	157.8	-76.5	-28.3	0	0	0	109.1	T113 S129	D102-T113 PolarHBondContact O-N 2.81Å; D102-T113 PolarHBondContact O-OG1 3.04Å; D102-S129 VanDerWaalsContact OD2-C 3.25Å; D102-S129 VanDerWaalsContact OD2-CA 3.28Å; D102-S129 WeakPolarHBondContact OD2-CA 3.41Å
103	V	82	Confident	72.3	Confident	52 Å²	52	78.1 Å²	78.1	32%	0.315	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.3	-175.2	-179.2	0	0	0	0	108.5	I101 K110 F111 Y112	I101-V103 HydrophobicContact CG2-CG2 4.42Å; V103-K110 HydrophobicContact CG1-CB 3.61Å; V103-K110 HydrophobicContact CG1-CD 4.27Å; V103-K110 HydrophobicContact CG1-CG 3.83Å; V103-F111 CarbonylContact C-O 3.56Å; V103-F111 WeakPolarHBondContact CA-O 3.38Å; V103-Y112 HydrophobicContact CG2-CD1 3.81Å; V103-Y112 HydrophobicContact CG2-CE1 3.93Å
104	C	84.9	Confident	72.5	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.007	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.5	168.2	-52.5	0	0	0	0	109.4	F111 C126 G130 W132	C104-F111 HydrophobicContact CB-CB 4.43Å; C104-F111 PolarHBondContact N-O 3.09Å; C104-F111 PolarHBondContact O-N 3.02Å; C104-C126 HydrophobicContact CB-CB 3.79Å; C104-C126 WeakPolarHBondContact CB-SG 3.35Å; C104-C126 PolarHBondContact N-SG 3.4Å; C104-C126 WeakPolarHBondContact SG-CA 3.34Å; C104-C126 WeakPolarHBondContact SG-CB 3.28Å; C104-C126 CovalentContact SG-SG 2.04Å; C104-C126 PolarHBondContact SG-SG 2.91Å; C104-G130 PolarHBondContact SG-O 2.74Å; C104-W132 HydrophobicContact CB-CD2 3.81Å; C104-W132 HydrophobicContact CB-CE3 4.25Å; C104-W132 HydrophobicContact CB-CG 4.41Å; C104-W132 HydrophobicContact CB-CH2 3.93Å; C104-W132 HydrophobicContact CB-CZ2 3.41Å; C104-W132 VanDerWaalsContact CB-CZ2 3.41Å; C104-W132 HydrophobicContact CB-CZ3 4.31Å
105	E	87.9	Confident	72.6	Confident	124 Å²	124	77.3 Å²	77.3	58%	0.579	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.1	175.5	-69.2	-172.1	170.8	0	0	111.1	N109 K110 W132	E105-N109 WeakPolarHBondContact CA-O 3.44Å; E105-K110 HydrophobicContact CG-CG 4.01Å; E105-K110 WeakPolarHBondContact OE1-CE 3.34Å; E105-K110 IonicContact OE1-NZ 3.59Å; E105-W132 PolarHBondContact O-NE1 2.82Å
106	R	83.6	Confident	73.3	Confident	82 Å²	82	77.2 Å²	77.2	31%	0.309	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	127.1	172.5	-164.5	72.6	173.2	-160.2	-4.4	110.7	G108 N109 F111 Y117 E119 W132	R106-G108 PolarHBondContact O-N 2.95Å; R106-N109 PolarHBondContact N-O 3.13Å; R106-N109 WeakPolarHBondContact O-CB 3.44Å; R106-N109 PolarHBondContact O-N 3.16Å; R106-F111 HydrophobicContact CB-CD2 4.36Å; R106-F111 HydrophobicContact CB-CE2 3.92Å; R106-Y117 HydrophobicContact CG-CE2 4.11Å; R106-Y117 VanDerWaalsContact CZ-OH 3.31Å; R106-Y117 PolarHBondContact NE-OH 3.03Å; R106-E119 IonicContact CZ-OE1 2.74Å; R106-E119 IonicContact CZ-OE2 3.58Å; R106-E119 IonicContact NE-OE1 3.26Å; R106-E119 IonicContact NH2-OE1 3.12Å; R106-E119 PolarHBondContact NH2-OE1 2.91Å; R106-E119 IonicContact NH2-OE2 2.73Å; R106-E119 PolarHBondContact NH2-OE2 3.4Å; R106-W132 HydrophobicContact CB-CZ2 4.02Å
107	N	84.6	Confident	74.1	Confident	151 Å²	151	75.8 Å²	75.8	81%	0.807	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	37.9	178.5	-60.2	-17.5	0	0	0	113.7	N109	N107-N109 PolarHBondContact O-N 2.98Å
108	G	82.9	Confident	75.3	Confident	76 Å²	76	77.7 Å²	77.7	78%	0.784	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-3.8	-177.5	0	0	0	0	0	115.3	R106	R106-G108 PolarHBondContact O-N 2.95Å
109	N	80.1	Confident	76.6	Confident	102 Å²	102	79 Å²	79	55%	0.545	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.1	174.7	-63.7	-39.4	0	0	0	110.9	E105 R106 N107 F111	E105-N109 WeakPolarHBondContact CA-O 3.44Å; R106-N109 PolarHBondContact N-O 3.13Å; R106-N109 WeakPolarHBondContact O-CB 3.44Å; R106-N109 PolarHBondContact O-N 3.16Å; N107-N109 PolarHBondContact O-N 2.98Å; N109-F111 HydrophobicContact CB-CD2 4.42Å; N109-F111 HydrophobicContact CB-CE2 3.71Å; N109-F111 HydrophobicContact CB-CZ 4.25Å
110	K	81.9	Confident	78.5	Confident	135 Å²	135	76.6 Å²	76.6	59%	0.587	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.9	175.9	-76	-180	176.3	-174	0	110.1	V103 E105	V103-K110 HydrophobicContact CG1-CB 3.61Å; V103-K110 HydrophobicContact CG1-CD 4.27Å; V103-K110 HydrophobicContact CG1-CG 3.83Å; E105-K110 HydrophobicContact CG-CG 4.01Å; E105-K110 WeakPolarHBondContact OE1-CE 3.34Å; E105-K110 IonicContact OE1-NZ 3.59Å
111	F	76	Confident	80.1	Confident	35 Å²	35	70.8 Å²	70.8	15%	0.154	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.7	178.8	-65.7	-98.9	0	0	0	109.5	V103 C104 R106 N109 Q115 C126 W132	V103-F111 CarbonylContact C-O 3.56Å; V103-F111 WeakPolarHBondContact CA-O 3.38Å; C104-F111 HydrophobicContact CB-CB 4.43Å; C104-F111 PolarHBondContact N-O 3.09Å; C104-F111 PolarHBondContact O-N 3.02Å; R106-F111 HydrophobicContact CB-CD2 4.36Å; R106-F111 HydrophobicContact CB-CE2 3.92Å; N109-F111 HydrophobicContact CB-CD2 4.42Å; N109-F111 HydrophobicContact CB-CE2 3.71Å; N109-F111 HydrophobicContact CB-CZ 4.25Å; F111-Q115 HydrophobicContact CB-CB 4.14Å; F111-Q115 HydrophobicContact CD1-CB 4.07Å; F111-C126 HydrophobicContact CB-CB 4.49Å; F111-C126 PolarHBondContact O-SG 3.2Å; F111-C126 VanDerWaalsContact O-SG 3.37Å; F111-W132 HydrophobicContact CB-CH2 3.45Å; F111-W132 VanDerWaalsContact CB-CH2 3.45Å; F111-W132 HydrophobicContact CB-CZ2 3.92Å; F111-W132 HydrophobicContact CB-CZ3 4.43Å; F111-W132 AromaticContact CD1-CH2 3.91Å; F111-W132 HydrophobicContact CD1-CH2 3.91Å; F111-W132 AromaticContact CD2-CH2 3.69Å; F111-W132 HydrophobicContact CD2-CH2 3.69Å; F111-W132 AromaticContact CD2-CZ2 3.63Å; F111-W132 HydrophobicContact CD2-CZ2 3.63Å; F111-W132 HydrophobicContact CE2-CH2 4.37Å; F111-W132 HydrophobicContact CE2-CZ2 4.29Å; F111-W132 AromaticContact CG-CH2 3.42Å; F111-W132 HydrophobicContact CG-CH2 3.42Å; F111-W132 VanDerWaalsContact CG-CH2 3.42Å; F111-W132 AromaticContact CG-CZ2 3.86Å; F111-W132 HydrophobicContact CG-CZ2 3.86Å
112	Y	74.9	Confident	81.7	Confident	106 Å²	106	67.8 Å²	67.8	42%	0.416	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	159	175	-58	-75.4	0	0	0	111.5	Y45 I101 V103 G114 Q115 C126	Y45-Y112 AromaticContact CE1-CD2 3.77Å; Y45-Y112 HydrophobicContact CE1-CD2 3.77Å; Y45-Y112 HydrophobicContact CE1-CE2 4.35Å; Y45-Y112 AromaticContact CZ-CD2 3.93Å; I101-Y112 HydrophobicContact CG2-CD1 3.51Å; I101-Y112 HydrophobicContact CG2-CE1 3.99Å; V103-Y112 HydrophobicContact CG2-CD1 3.81Å; V103-Y112 HydrophobicContact CG2-CE1 3.93Å; Y112-G114 PolarHBondContact O-N 3.44Å; Y112-Q115 VanDerWaalsContact O-CB 3.25Å; Y112-Q115 WeakPolarHBondContact O-CB 3.42Å; Y112-Q115 WeakPolarHBondContact O-CG 3.44Å; Y112-Q115 PolarHBondContact O-N 2.93Å; Y112-C126 WeakPolarHBondContact O-CB 3.29Å
113	T	77.1	Confident	82.6	Confident	43 Å²	43	67.4 Å²	67.4	26%	0.264	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	132	174.3	-63.4	0	0	0	0	111.1	D102 Q115	D102-T113 PolarHBondContact O-N 2.81Å; D102-T113 PolarHBondContact O-OG1 3.04Å; T113-Q115 VanDerWaalsContact C-N 3.29Å; T113-Q115 PolarHBondContact O-N 3.37Å
114	G	70.4	Confident	82.9	Confident	29 Å²	29	65 Å²	65	30%	0.299	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-12.8	-176.3	0	0	0	0	0	114.8	R42 Y112 C126	R42-G114 WeakPolarHBondContact CD-O 3.48Å; R42-G114 PolarHBondContact NH1-O 3.06Å; Y112-G114 PolarHBondContact O-N 3.44Å; G114-C126 PolarHBondContact N-O 2.73Å
115	Q	70.9	Confident	83	Confident	46 Å²	46	66 Å²	66	22%	0.215	34%	0.344	C	S	.	.			trans	-69	150.8	171.3	-67.3	-166	-81.5	0	0	111.5	Y45 F111 Y112 T113 T125 C126	Y45-Q115 HydrophobicContact CE2-CG 3.96Å; Y45-Q115 VanDerWaalsContact CZ-CD 3.44Å; Y45-Q115 WeakPolarHBondContact OH-CG 3.39Å; Y45-Q115 PolarHBondContact OH-NE2 2.97Å; Y45-Q115 PolarHBondContact OH-OE1 3.23Å; F111-Q115 HydrophobicContact CB-CB 4.14Å; F111-Q115 HydrophobicContact CD1-CB 4.07Å; Y112-Q115 VanDerWaalsContact O-CB 3.25Å; Y112-Q115 WeakPolarHBondContact O-CB 3.42Å; Y112-Q115 WeakPolarHBondContact O-CG 3.44Å; Y112-Q115 PolarHBondContact O-N 2.93Å; T113-Q115 VanDerWaalsContact C-N 3.29Å; T113-Q115 PolarHBondContact O-N 3.37Å; Q115-T125 CarbonylContact O-C 3.45Å; Q115-T125 WeakPolarHBondContact O-CA 3.47Å; Q115-C126 PolarHBondContact O-N 3.44Å
116	T	79.3	Confident	82.8	Confident	58 Å²	58	60.1 Å²	60.1	36%	0.356	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154	177.3	66.8	0	0	0	0	111.5	L123 C124 T125	T116-L123 HydrophobicContact CG2-CD1 4.35Å; T116-L123 HydrophobicContact CG2-CG 4.45Å; T116-C124 CarbonylContact C-O 3.46Å; T116-C124 WeakPolarHBondContact CA-O 3.3Å; T116-C124 WeakPolarHBondContact CB-O 3.34Å; T116-T125 WeakPolarHBondContact CG2-OG1 3.41Å
117	Y	82.4	Confident	82.6	Confident	33 Å²	33	56.4 Å²	56.4	13%	0.129	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.6	161.3	78.6	-76.1	0	0	0	108.6	R106 E119 C124 W132	R106-Y117 HydrophobicContact CG-CE2 4.11Å; R106-Y117 VanDerWaalsContact CZ-OH 3.31Å; R106-Y117 PolarHBondContact NE-OH 3.03Å; Y117-E119 HydrophobicContact CD2-CB 4.35Å; Y117-E119 HydrophobicContact CE2-CB 3.69Å; Y117-E119 HydrophobicContact CE2-CG 4.49Å; Y117-E119 PolarHBondContact OH-OE2 3.1Å; Y117-C124 HydrophobicContact CD1-CB 3.57Å; Y117-C124 HydrophobicContact CE1-CB 3.17Å; Y117-C124 HydrophobicContact CE2-CB 4.47Å; Y117-C124 HydrophobicContact CG-CB 4.36Å; Y117-C124 PolarHBondContact N-O 3.26Å; Y117-C124 PolarHBondContact O-N 3.31Å; Y117-W132 HydrophobicContact CD1-CD2 4.38Å; Y117-W132 AromaticContact CD1-CE3 3.92Å; Y117-W132 HydrophobicContact CD1-CE3 3.92Å; Y117-W132 AromaticContact CD1-CH2 3.34Å; Y117-W132 HydrophobicContact CD1-CH2 3.34Å; Y117-W132 AromaticContact CD1-CZ2 3.87Å; Y117-W132 HydrophobicContact CD1-CZ2 3.87Å; Y117-W132 AromaticContact CD1-CZ3 3.38Å; Y117-W132 HydrophobicContact CD1-CZ3 3.38Å; Y117-W132 AromaticContact CE1-CD2 3.64Å; Y117-W132 HydrophobicContact CE1-CD2 3.64Å; Y117-W132 AromaticContact CE1-CE2 3.69Å; Y117-W132 AromaticContact CE1-CE3 3.54Å; Y117-W132 HydrophobicContact CE1-CE3 3.54Å; Y117-W132 HydrophobicContact CE1-CG 4.42Å; Y117-W132 AromaticContact CE1-CH2 3.56Å; Y117-W132 HydrophobicContact CE1-CH2 3.56Å; Y117-W132 AromaticContact CE1-CZ2 3.67Å; Y117-W132 HydrophobicContact CE1-CZ2 3.67Å; Y117-W132 AromaticContact CE1-CZ3 3.5Å; Y117-W132 HydrophobicContact CE1-CZ3 3.5Å; Y117-W132 HydrophobicContact CG-CH2 4.5Å
118	K	83.3	Confident	82.3	Confident	142 Å²	142	52.5 Å²	52.5	62%	0.617	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.3	176.9	-170.8	170.3	179.1	175.3	0	109	N120	K118-N120 WeakPolarHBondContact CE-O 3.49Å; K118-N120 WeakPolarHBondContact CG-O 3.39Å
119	E	86.6	Confident	82.3	Confident	79 Å²	79	52.1 Å²	52.1	37%	0.369	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	104.2	171.2	-177.5	149.8	-122.9	0	0	109.1	R106 Y117 C121 N122	R106-E119 IonicContact CZ-OE1 2.74Å; R106-E119 IonicContact CZ-OE2 3.58Å; R106-E119 IonicContact NE-OE1 3.26Å; R106-E119 IonicContact NH2-OE1 3.12Å; R106-E119 PolarHBondContact NH2-OE1 2.91Å; R106-E119 IonicContact NH2-OE2 2.73Å; R106-E119 PolarHBondContact NH2-OE2 3.4Å; Y117-E119 HydrophobicContact CD2-CB 4.35Å; Y117-E119 HydrophobicContact CE2-CB 3.69Å; Y117-E119 HydrophobicContact CE2-CG 4.49Å; Y117-E119 PolarHBondContact OH-OE2 3.1Å; E119-C121 PolarHBondContact O-N 3.23Å; E119-C121 VanDerWaalsContact O-N 3.08Å; E119-N122 PolarHBondContact N-O 2.97Å; E119-N122 PolarHBondContact O-N 2.93Å
120	N	91.8	Very high	82.4	Confident	17 Å²	17	48.4 Å²	48.4	9%	0.091	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	-114.9	-174.5	-168.8	-0.3	0	0	0	110.4	K118 C139 I141 Y165 G166	K118-N120 WeakPolarHBondContact CE-O 3.49Å; K118-N120 WeakPolarHBondContact CG-O 3.39Å; N120-C139 VanDerWaalsContact ND2-CB 3.26Å; N120-C139 WeakPolarHBondContact ND2-CB 3.45Å; N120-I141 PolarHBondContact ND2-O 2.04Å; N120-Y165 HydrophobicContact CB-CE1 4.35Å; N120-Y165 HydrophobicContact CB-CE2 4.33Å; N120-G166 WeakPolarHBondContact O-CA 3.25Å; N120-G166 WeakPolarHBondContact OD1-CA 3.42Å; N120-G166 PolarHBondContact OD1-N 2.88Å
121	C	93.1	Very high	82.7	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.061	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-8.2	177.8	76.8	0	0	0	0	113.8	E119 C139 L167 T168	E119-C121 PolarHBondContact O-N 3.23Å; E119-C121 VanDerWaalsContact O-N 3.08Å; C121-C139 HydrophobicContact CB-CB 3.81Å; C121-C139 WeakPolarHBondContact CB-SG 3.36Å; C121-C139 PolarHBondContact N-SG 3.33Å; C121-C139 WeakPolarHBondContact SG-CA 3.04Å; C121-C139 WeakPolarHBondContact SG-CB 3.26Å; C121-C139 CovalentContact SG-SG 2.04Å; C121-C139 PolarHBondContact SG-SG 2.98Å; C121-L167 WeakPolarHBondContact CB-O 3.38Å; C121-T168 HydrophobicContact CB-CG2 3.99Å
122	N	93.1	Very high	83.3	Confident	26 Å²	26	52 Å²	52	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131	-173.5	-68.7	-52.5	0	0	0	111.1	E119 E135 N137 C139	E119-N122 PolarHBondContact N-O 2.97Å; E119-N122 PolarHBondContact O-N 2.93Å; N122-E135 HydrophobicContact CB-CB 4.12Å; N122-E135 WeakPolarHBondContact CB-O 3.24Å; N122-E135 PolarHBondContact OD1-O 3.36Å; N122-N137 PolarHBondContact ND2-O 2.83Å; N122-N137 WeakPolarHBondContact OD1-CA 3.46Å; N122-N137 WeakPolarHBondContact OD1-CB 3.46Å; N122-N137 PolarHBondContact OD1-N 3.49Å; N122-N137 PolarHBondContact OD1-ND2 3.4Å; N122-C139 PolarHBondContact ND2-SG 2.85Å; N122-C139 VanDerWaalsContact ND2-SG 3.44Å
123	L	88.8	Confident	84.1	Confident	69 Å²	69	52.6 Å²	52.6	36%	0.361	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.4	168.4	-171.9	65.5	0	0	0	109.6	T116 E135	T116-L123 HydrophobicContact CG2-CD1 4.35Å; T116-L123 HydrophobicContact CG2-CG 4.45Å; L123-E135 HydrophobicContact CB-CG 4.42Å; L123-E135 PolarHBondContact N-OE2 2.96Å; L123-E135 VanDerWaalsContact N-OE2 3.09Å; L123-E135 PolarHBondContact O-N 2.93Å
124	C	87.4	Confident	84.7	Confident	1 Å²	1	53 Å²	53	1%	0.007	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.3	176.3	-70.1	0	0	0	0	110	T116 Y117 W132 C134	T116-C124 CarbonylContact C-O 3.46Å; T116-C124 WeakPolarHBondContact CA-O 3.3Å; T116-C124 WeakPolarHBondContact CB-O 3.34Å; Y117-C124 HydrophobicContact CD1-CB 3.57Å; Y117-C124 HydrophobicContact CE1-CB 3.17Å; Y117-C124 HydrophobicContact CE2-CB 4.47Å; Y117-C124 HydrophobicContact CG-CB 4.36Å; Y117-C124 PolarHBondContact N-O 3.26Å; Y117-C124 PolarHBondContact O-N 3.31Å; C124-W132 HydrophobicContact CB-CE3 4.11Å; C124-C134 HydrophobicContact CB-CB 4.08Å; C124-C134 WeakPolarHBondContact CB-SG 3.18Å; C124-C134 WeakPolarHBondContact SG-CB 3.28Å; C124-C134 CovalentContact SG-SG 2.04Å; C124-C134 PolarHBondContact SG-SG 3.17Å
125	T	86.6	Confident	85.8	Confident	22 Å²	22	56 Å²	56	14%	0.135	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135	175.1	-71.1	0	0	0	0	110.2	R42 Q115 T116 G127 E133	R42-T125 PolarHBondContact NH1-OG1 3.1Å; R42-T125 PolarHBondContact NH2-OG1 3.15Å; Q115-T125 CarbonylContact O-C 3.45Å; Q115-T125 WeakPolarHBondContact O-CA 3.47Å; T116-T125 WeakPolarHBondContact CG2-OG1 3.41Å; T125-G127 PolarHBondContact O-N 3.23Å; T125-E133 PolarHBondContact N-O 2.9Å; T125-E133 PolarHBondContact O-N 3.34Å
126	C	83.6	Confident	86.8	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	114.5	168.8	-175.9	0	0	0	0	109.4	C104 F111 Y112 G114 Q115 W132	C104-C126 HydrophobicContact CB-CB 3.79Å; C104-C126 WeakPolarHBondContact CB-SG 3.35Å; C104-C126 PolarHBondContact N-SG 3.4Å; C104-C126 WeakPolarHBondContact SG-CA 3.34Å; C104-C126 WeakPolarHBondContact SG-CB 3.28Å; C104-C126 CovalentContact SG-SG 2.04Å; C104-C126 PolarHBondContact SG-SG 2.91Å; F111-C126 HydrophobicContact CB-CB 4.49Å; F111-C126 PolarHBondContact O-SG 3.2Å; F111-C126 VanDerWaalsContact O-SG 3.37Å; Y112-C126 WeakPolarHBondContact O-CB 3.29Å; G114-C126 PolarHBondContact N-O 2.73Å; Q115-C126 PolarHBondContact O-N 3.44Å; C126-W132 HydrophobicContact CB-CE3 4.13Å; C126-W132 HydrophobicContact CB-CH2 4.21Å; C126-W132 HydrophobicContact CB-CZ3 3.74Å
127	G	80.6	Confident	87.5	Confident	4 Å²	4	61 Å²	61	4%	0.041	31%	0.307	C	S	.	.			trans	-75.9	164.7	178.5	0	0	0	0	0	112.2	T125 S129 G130 R131	T125-G127 PolarHBondContact O-N 3.23Å; G127-S129 PolarHBondContact O-N 3.3Å; G127-G130 PolarHBondContact O-N 3.36Å; G127-G130 VanDerWaalsContact O-N 3.12Å; G127-R131 WeakPolarHBondContact CA-O 3.39Å; G127-R131 PolarHBondContact N-O 2.83Å
128	S	77.3	Confident	88.1	Confident	70 Å²	70	59.8 Å²	59.8	49%	0.49	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.1	179.9	54.5	0	0	0	0	114.9
129	S	82.6	Confident	88.8	Confident	67 Å²	67	53.4 Å²	53.4	47%	0.469	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.8	176	60.8	0	0	0	0	113.5	D102 G127 R131	D102-S129 VanDerWaalsContact OD2-C 3.25Å; D102-S129 VanDerWaalsContact OD2-CA 3.28Å; D102-S129 WeakPolarHBondContact OD2-CA 3.41Å; G127-S129 PolarHBondContact O-N 3.3Å; S129-R131 PolarHBondContact O-N 2.63Å
130	G	82.4	Confident	89.3	Confident	25 Å²	25	49.9 Å²	49.9	26%	0.258	26%	0.261	S	S	.	.	S	Bend	trans	72.5	11.7	-175.8	0	0	0	0	0	114	C104 G127	C104-G130 PolarHBondContact SG-O 2.74Å; G127-G130 PolarHBondContact O-N 3.36Å; G127-G130 VanDerWaalsContact O-N 3.12Å
131	R	88.6	Confident	89.5	Confident	187 Å²	187	49.1 Å²	49.1	71%	0.706	26%	0.257	S	S	*	.			trans	-102.7	145.5	176.4	-63.6	-175.8	-178.6	-171.3	1	110.8	G127 S129	G127-R131 WeakPolarHBondContact CA-O 3.39Å; G127-R131 PolarHBondContact N-O 2.83Å; S129-R131 PolarHBondContact O-N 2.63Å
132	W	89.1	Confident	89.6	Confident	58 Å²	58	50 Å²	50	22%	0.22	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127	173.9	-70.5	113.2	0	0	0	111.3	C104 E105 R106 F111 Y117 C124 C126	C104-W132 HydrophobicContact CB-CD2 3.81Å; C104-W132 HydrophobicContact CB-CE3 4.25Å; C104-W132 HydrophobicContact CB-CG 4.41Å; C104-W132 HydrophobicContact CB-CH2 3.93Å; C104-W132 HydrophobicContact CB-CZ2 3.41Å; C104-W132 VanDerWaalsContact CB-CZ2 3.41Å; C104-W132 HydrophobicContact CB-CZ3 4.31Å; E105-W132 PolarHBondContact O-NE1 2.82Å; R106-W132 HydrophobicContact CB-CZ2 4.02Å; F111-W132 HydrophobicContact CB-CH2 3.45Å; F111-W132 VanDerWaalsContact CB-CH2 3.45Å; F111-W132 HydrophobicContact CB-CZ2 3.92Å; F111-W132 HydrophobicContact CB-CZ3 4.43Å; F111-W132 AromaticContact CD1-CH2 3.91Å; F111-W132 HydrophobicContact CD1-CH2 3.91Å; F111-W132 AromaticContact CD2-CH2 3.69Å; F111-W132 HydrophobicContact CD2-CH2 3.69Å; F111-W132 AromaticContact CD2-CZ2 3.63Å; F111-W132 HydrophobicContact CD2-CZ2 3.63Å; F111-W132 HydrophobicContact CE2-CH2 4.37Å; F111-W132 HydrophobicContact CE2-CZ2 4.29Å; F111-W132 AromaticContact CG-CH2 3.42Å; F111-W132 HydrophobicContact CG-CH2 3.42Å; F111-W132 VanDerWaalsContact CG-CH2 3.42Å; F111-W132 AromaticContact CG-CZ2 3.86Å; F111-W132 HydrophobicContact CG-CZ2 3.86Å; Y117-W132 HydrophobicContact CD1-CD2 4.38Å; Y117-W132 AromaticContact CD1-CE3 3.92Å; Y117-W132 HydrophobicContact CD1-CE3 3.92Å; Y117-W132 AromaticContact CD1-CH2 3.34Å; Y117-W132 HydrophobicContact CD1-CH2 3.34Å; Y117-W132 AromaticContact CD1-CZ2 3.87Å; Y117-W132 HydrophobicContact CD1-CZ2 3.87Å; Y117-W132 AromaticContact CD1-CZ3 3.38Å; Y117-W132 HydrophobicContact CD1-CZ3 3.38Å; Y117-W132 AromaticContact CE1-CD2 3.64Å; Y117-W132 HydrophobicContact CE1-CD2 3.64Å; Y117-W132 AromaticContact CE1-CE2 3.69Å; Y117-W132 AromaticContact CE1-CE3 3.54Å; Y117-W132 HydrophobicContact CE1-CE3 3.54Å; Y117-W132 HydrophobicContact CE1-CG 4.42Å; Y117-W132 AromaticContact CE1-CH2 3.56Å; Y117-W132 HydrophobicContact CE1-CH2 3.56Å; Y117-W132 AromaticContact CE1-CZ2 3.67Å; Y117-W132 HydrophobicContact CE1-CZ2 3.67Å; Y117-W132 AromaticContact CE1-CZ3 3.5Å; Y117-W132 HydrophobicContact CE1-CZ3 3.5Å; Y117-W132 HydrophobicContact CG-CH2 4.5Å; C124-W132 HydrophobicContact CB-CE3 4.11Å; C126-W132 HydrophobicContact CB-CE3 4.13Å; C126-W132 HydrophobicContact CB-CH2 4.21Å; C126-W132 HydrophobicContact CB-CZ3 3.74Å
133	E	90.9	Very high	89.6	Confident	118 Å²	118	52.3 Å²	52.3	55%	0.551	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	96.3	169.1	-67.2	175.1	-166.1	0	0	107.9	T125	T125-E133 PolarHBondContact N-O 2.9Å; T125-E133 PolarHBondContact O-N 3.34Å
134	C	90.9	Very high	89.9	Confident	51 Å²	51	52.9 Å²	52.9	35%	0.345	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.1	-179.2	-60.5	0	0	0	0	111.5	C124	C124-C134 HydrophobicContact CB-CB 4.08Å; C124-C134 WeakPolarHBondContact CB-SG 3.18Å; C124-C134 WeakPolarHBondContact SG-CB 3.28Å; C124-C134 CovalentContact SG-SG 2.04Å; C124-C134 PolarHBondContact SG-SG 3.17Å
135	E	92	Very high	90.3	Very high	93 Å²	93	53.1 Å²	53.1	44%	0.435	28%	0.282	S	S	.	.			trans	-55.2	150.6	161.6	-67	173.8	167.2	0	0	110.7	N122 L123 N137	N122-E135 HydrophobicContact CB-CB 4.12Å; N122-E135 WeakPolarHBondContact CB-O 3.24Å; N122-E135 PolarHBondContact OD1-O 3.36Å; L123-E135 HydrophobicContact CB-CG 4.42Å; L123-E135 PolarHBondContact N-OE2 2.96Å; L123-E135 VanDerWaalsContact N-OE2 3.09Å; L123-E135 PolarHBondContact O-N 2.93Å; E135-N137 PolarHBondContact OE2-ND2 2.78Å; E135-N137 VanDerWaalsContact OE2-ND2 3.12Å
136	Q	91.7	Very high	90.8	Very high	142 Å²	142	53 Å²	53	66%	0.664	28%	0.28	S	S	*	.			trans	-118.7	47.1	178.9	-63	-171.6	-3.4	0	0	110.7	K392	Q136-K392 WeakPolarHBondContact O-CE 2.97Å; Q136-K392 PolarHBondContact O-NZ 3.34Å
137	N	94.8	Very high	91.4	Very high	66 Å²	66	56.8 Å²	56.8	35%	0.353	30%	0.3	S	S	.	.			trans	-71.6	144.8	173.1	-56.1	-44.5	0	0	0	109.4	N122 E135 C139 T168	N122-N137 PolarHBondContact ND2-O 2.83Å; N122-N137 WeakPolarHBondContact OD1-CA 3.46Å; N122-N137 WeakPolarHBondContact OD1-CB 3.46Å; N122-N137 PolarHBondContact OD1-N 3.49Å; N122-N137 PolarHBondContact OD1-ND2 3.4Å; E135-N137 PolarHBondContact OE2-ND2 2.78Å; E135-N137 VanDerWaalsContact OE2-ND2 3.12Å; N137-C139 PolarHBondContact O-N 2.79Å; N137-T168 HydrophobicContact CB-CG2 3.91Å
138	A	96	Very high	92.2	Very high	8 Å²	8	58.5 Å²	58.5	7%	0.066	31%	0.313	C	S	.	.			trans	-69.5	115.4	165.4	0	0	0	0	0	107.6	T168 L169 K392 Y393	A138-T168 CarbonylContact O-C 3.03Å; A138-T168 VanDerWaalsContact O-CA 3.31Å; A138-T168 WeakPolarHBondContact O-CA 3.32Å; A138-L169 HydrophobicContact CB-CB 3.97Å; A138-L169 HydrophobicContact CB-CD2 4.3Å; A138-L169 PolarHBondContact O-N 3.42Å; A138-K392 VanDerWaalsContact CB-O 3.29Å; A138-K392 WeakPolarHBondContact CB-O 3.29Å; A138-Y393 VanDerWaalsContact CA-CE1 3.49Å; A138-Y393 HydrophobicContact CB-CD1 3.41Å; A138-Y393 VanDerWaalsContact CB-CD1 3.41Å; A138-Y393 HydrophobicContact CB-CE1 3.67Å; A138-Y393 HydrophobicContact CB-CG 3.92Å
139	C	96.8	Very high	93.2	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.054	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-81.9	149.3	174.8	-57.2	0	0	0	0	109.9	N120 C121 N122 N137 I141 E142	N120-C139 VanDerWaalsContact ND2-CB 3.26Å; N120-C139 WeakPolarHBondContact ND2-CB 3.45Å; C121-C139 HydrophobicContact CB-CB 3.81Å; C121-C139 WeakPolarHBondContact CB-SG 3.36Å; C121-C139 PolarHBondContact N-SG 3.33Å; C121-C139 WeakPolarHBondContact SG-CA 3.04Å; C121-C139 WeakPolarHBondContact SG-CB 3.26Å; C121-C139 CovalentContact SG-SG 2.04Å; C121-C139 PolarHBondContact SG-SG 2.98Å; N122-C139 PolarHBondContact ND2-SG 2.85Å; N122-C139 VanDerWaalsContact ND2-SG 3.44Å; N137-C139 PolarHBondContact O-N 2.79Å; C139-I141 VanDerWaalsContact C-N 3.34Å; C139-E142 HydrophobicContact CB-CG 4.49Å; C139-E142 WeakPolarHBondContact O-CG 3.06Å
140	L	97	Very high	93.9	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	28%	0.282	C	S	.	.	S	Bend	trans	-66.4	-40.2	179.5	-174.8	62.7	0	0	0	111.9	L164 L167 L169 F373	L140-L164 HydrophobicContact CD2-CB 3.98Å; L140-L164 HydrophobicContact CD2-CD2 4.04Å; L140-L164 HydrophobicContact CD2-CG 4.39Å; L140-L167 HydrophobicContact CB-CB 4.16Å; L140-L167 WeakPolarHBondContact CB-O 3.2Å; L140-L167 HydrophobicContact CD2-CB 4.14Å; L140-L167 HydrophobicContact CD2-CD1 4.04Å; L140-L167 PolarHBondContact N-O 3.28Å; L140-L169 HydrophobicContact CD1-CD1 3.78Å; L140-F373 HydrophobicContact CD1-CB 4.04Å; L140-F373 HydrophobicContact CD1-CD1 3.71Å; L140-F373 HydrophobicContact CD1-CD2 3.55Å; L140-F373 HydrophobicContact CD1-CE1 3.95Å; L140-F373 HydrophobicContact CD1-CE2 3.81Å; L140-F373 HydrophobicContact CD1-CG 3.48Å; L140-F373 VanDerWaalsContact CD1-CG 3.48Å; L140-F373 HydrophobicContact CD1-CZ 3.99Å; L140-F373 HydrophobicContact CD2-CD1 4.14Å; L140-F373 HydrophobicContact CD2-CE1 4.5Å; L140-F373 HydrophobicContact CG-CB 4.27Å; L140-F373 HydrophobicContact CG-CD1 4.22Å; L140-F373 HydrophobicContact CG-CG 4.14Å
141	I	96.4	Very high	94.6	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	31%	0.308	C	S	.	.	S	Bend	trans	-105.3	101.6	176.7	-54.9	-63.5	0	0	0	108	N120 C139 I146 N160 L164 Y165 V374	N120-I141 PolarHBondContact ND2-O 2.04Å; C139-I141 VanDerWaalsContact C-N 3.34Å; I141-I146 HydrophobicContact CG2-CD1 3.81Å; I141-N160 HydrophobicContact CG2-CB 4.34Å; I141-N160 WeakPolarHBondContact CG2-OD1 3.26Å; I141-L164 HydrophobicContact CD1-CB 3.73Å; I141-L164 HydrophobicContact CD1-CD1 4.14Å; I141-L164 HydrophobicContact CG1-CB 3.78Å; I141-Y165 HydrophobicContact CB-CD2 4.36Å; I141-Y165 HydrophobicContact CG2-CD2 4.35Å; I141-V374 HydrophobicContact CD1-CG1 3.62Å; I141-V374 HydrophobicContact CG2-CG1 4.32Å
142	E	94	Very high	94.8	Very high	26 Å²	26	55.7 Å²	55.7	12%	0.121	29%	0.285	C	S	.	.			trans	-103.2	121.6	175.8	-53.6	-170	81.2	0	0	110.8	C139 D144 V145 I146 K389 Y393	C139-E142 HydrophobicContact CB-CG 4.49Å; C139-E142 WeakPolarHBondContact O-CG 3.06Å; E142-D144 WeakPolarHBondContact CB-OD1 3.19Å; E142-D144 PolarHBondContact O-N 3.44Å; E142-V145 HydrophobicContact CB-CB 4.37Å; E142-V145 HydrophobicContact CB-CG2 4.02Å; E142-V145 PolarHBondContact O-N 2.9Å; E142-I146 PolarHBondContact O-N 2.88Å; E142-K389 IonicContact OE1-NZ 2.77Å; E142-K389 PolarHBondContact OE1-NZ 2.92Å; E142-K389 IonicContact OE2-NZ 2.92Å; E142-K389 PolarHBondContact OE2-NZ 3.12Å; E142-Y393 WeakPolarHBondContact OE1-CD1 3.44Å; E142-Y393 WeakPolarHBondContact OE1-CE1 3.46Å; E142-Y393 WeakPolarHBondContact OE2-CD1 3.46Å
143	P	94.4	Very high	94.9	Very high	76 Å²	76	59.9 Å²	59.9	49%	0.494	31%	0.312	S	S	.	.	H	α-helix	trans	-59.8	-29.4	179.4	-26.8	35.3	0	0	0	114	N147	P143-N147 WeakPolarHBondContact O-CB 3.22Å; P143-N147 PolarHBondContact O-N 2.76Å; P143-N147 PolarHBondContact O-ND2 3.32Å
144	D	94.1	Very high	95	Very high	80 Å²	80	58.9 Å²	58.9	43%	0.428	30%	0.304	S	S	.	.	H	α-helix	trans	-69.4	-40.8	178.7	67.3	-24.1	0	0	0	112.1	E142 N147 A148 K389	E142-D144 WeakPolarHBondContact CB-OD1 3.19Å; E142-D144 PolarHBondContact O-N 3.44Å; D144-N147 PolarHBondContact O-N 3.38Å; D144-A148 VanDerWaalsContact O-CB 3.23Å; D144-A148 WeakPolarHBondContact O-CB 3.1Å; D144-A148 PolarHBondContact O-N 3.42Å; D144-K389 IonicContact OD1-NZ 2.77Å; D144-K389 PolarHBondContact OD1-NZ 3.38Å; D144-K389 WeakPolarHBondContact OD2-CE 3.22Å; D144-K389 IonicContact OD2-NZ 2.93Å; D144-K389 PolarHBondContact OD2-NZ 2.98Å
145	V	95.7	Very high	95	Very high	7 Å²	7	58 Å²	58	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-48.6	172.6	174.9	0	0	0	0	110	E142 N147 A148 V149 D371 V374 V385	E142-V145 HydrophobicContact CB-CB 4.37Å; E142-V145 HydrophobicContact CB-CG2 4.02Å; E142-V145 PolarHBondContact O-N 2.9Å; V145-N147 VanDerWaalsContact C-N 3.32Å; V145-N147 PolarHBondContact O-N 3.08Å; V145-A148 PolarHBondContact O-N 2.84Å; V145-V149 HydrophobicContact CG1-CG2 4.41Å; V145-V149 WeakPolarHBondContact O-CG2 3.26Å; V145-V149 PolarHBondContact O-N 2.94Å; V145-D371 HydrophobicContact CG1-CB 4.22Å; V145-V374 HydrophobicContact CG1-CG2 4.21Å; V145-V385 HydrophobicContact CG1-CG2 4.02Å
146	I	97.4	Very high	95.3	Very high	20 Å²	20	53.8 Å²	53.8	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-57	-48	177.7	-66.4	170.6	0	0	0	110.7	I141 E142 N150 A158 N160 V374	I141-I146 HydrophobicContact CG2-CD1 3.81Å; E142-I146 PolarHBondContact O-N 2.88Å; I146-N150 VanDerWaalsContact O-CB 3.3Å; I146-N150 WeakPolarHBondContact O-CB 3.05Å; I146-N150 VanDerWaalsContact O-CG 3.27Å; I146-N150 PolarHBondContact O-N 3.32Å; I146-N150 PolarHBondContact O-ND2 2.91Å; I146-A158 HydrophobicContact CB-CB 4.33Å; I146-A158 HydrophobicContact CG1-CB 4.28Å; I146-A158 HydrophobicContact CG2-CB 4.16Å; I146-N160 HydrophobicContact CD1-CB 4.2Å; I146-V374 HydrophobicContact CD1-CB 4.49Å; I146-V374 HydrophobicContact CD1-CG1 4.04Å; I146-V374 HydrophobicContact CG1-CB 3.95Å; I146-V374 HydrophobicContact CG1-CG1 3.82Å; I146-V374 HydrophobicContact CG1-CG2 4.22Å
147	N	97.5	Very high	95.6	Very high	80 Å²	80	51.6 Å²	51.6	43%	0.428	27%	0.271	S	S	.	.	H	α-helix	trans	-66.5	-40.7	-179.7	-73	-34.5	0	0	0	112.2	P143 D144 V145 N150 R151	P143-N147 WeakPolarHBondContact O-CB 3.22Å; P143-N147 PolarHBondContact O-N 2.76Å; P143-N147 PolarHBondContact O-ND2 3.32Å; D144-N147 PolarHBondContact O-N 3.38Å; V145-N147 VanDerWaalsContact C-N 3.32Å; V145-N147 PolarHBondContact O-N 3.08Å; N147-N150 PolarHBondContact O-N 3.35Å; N147-R151 WeakPolarHBondContact O-CB 3.39Å; N147-R151 VanDerWaalsContact O-CG 3.22Å; N147-R151 WeakPolarHBondContact O-CG 3.37Å; N147-R151 PolarHBondContact O-N 3.09Å
148	A	96.8	Very high	95.7	Very high	39 Å²	39	48.8 Å²	48.8	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-46.4	179	0	0	0	0	0	111.6	D144 V145 R151 G152 V385	D144-A148 VanDerWaalsContact O-CB 3.23Å; D144-A148 WeakPolarHBondContact O-CB 3.1Å; D144-A148 PolarHBondContact O-N 3.42Å; V145-A148 PolarHBondContact O-N 2.84Å; A148-R151 PolarHBondContact O-N 2.78Å; A148-G152 PolarHBondContact O-N 2.89Å; A148-V385 HydrophobicContact CB-CB 4.06Å; A148-V385 HydrophobicContact CB-CG1 4.01Å
149	V	97.4	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-47.5	175.2	171.9	0	0	0	0	110.6	V145 R151 G152 W156 A158 V385	V145-V149 HydrophobicContact CG1-CG2 4.41Å; V145-V149 WeakPolarHBondContact O-CG2 3.26Å; V145-V149 PolarHBondContact O-N 2.94Å; V149-R151 VanDerWaalsContact C-N 3.34Å; V149-R151 PolarHBondContact O-N 2.95Å; V149-G152 PolarHBondContact O-N 3.25Å; V149-W156 HydrophobicContact CB-CH2 4.29Å; V149-W156 HydrophobicContact CB-CZ2 4.43Å; V149-W156 HydrophobicContact CG1-CD2 3.88Å; V149-W156 HydrophobicContact CG1-CE3 3.85Å; V149-W156 HydrophobicContact CG1-CH2 3.68Å; V149-W156 HydrophobicContact CG1-CZ2 3.72Å; V149-W156 HydrophobicContact CG1-CZ3 3.75Å; V149-W156 HydrophobicContact CG2-CH2 3.7Å; V149-W156 HydrophobicContact CG2-CZ2 3.77Å; V149-W156 HydrophobicContact CG2-CZ3 4.48Å; V149-A158 HydrophobicContact CB-CB 3.99Å; V149-A158 HydrophobicContact CG1-CB 3.92Å; V149-V385 HydrophobicContact CG2-CG1 4.06Å; V149-V385 HydrophobicContact CG2-CG2 4.1Å
150	N	97.7	Very high	95.8	Very high	54 Å²	54	53.4 Å²	53.4	29%	0.289	28%	0.284	S	S	.	.	H	α-helix	trans	-70.2	-28.4	-174.9	-75.7	-27.4	0	0	0	114.1	I146 N147 K157 A158	I146-N150 VanDerWaalsContact O-CB 3.3Å; I146-N150 WeakPolarHBondContact O-CB 3.05Å; I146-N150 VanDerWaalsContact O-CG 3.27Å; I146-N150 PolarHBondContact O-N 3.32Å; I146-N150 PolarHBondContact O-ND2 2.91Å; N147-N150 PolarHBondContact O-N 3.35Å; N150-K157 PolarHBondContact O-NZ 3.35Å; N150-K157 WeakPolarHBondContact OD1-CA 3.45Å; N150-K157 WeakPolarHBondContact OD1-CD 3.42Å; N150-A158 PolarHBondContact ND2-O 3.33Å; N150-A158 PolarHBondContact OD1-N 3.31Å; N150-A158 PolarHBondContact OD1-O 2.76Å
151	R	96.3	Very high	95.8	Very high	215 Å²	215	53.8 Å²	53.8	81%	0.811	29%	0.285	S	S	*	.	H	α-helix	trans	-78.8	-30.8	172.5	-72.5	174.7	-175.8	-178.1	2.1	112.5	N147 A148 V149	N147-R151 WeakPolarHBondContact O-CB 3.39Å; N147-R151 VanDerWaalsContact O-CG 3.22Å; N147-R151 WeakPolarHBondContact O-CG 3.37Å; N147-R151 PolarHBondContact O-N 3.09Å; A148-R151 PolarHBondContact O-N 2.78Å; V149-R151 VanDerWaalsContact C-N 3.34Å; V149-R151 PolarHBondContact O-N 2.95Å
152	G	93.3	Very high	95.6	Very high	22 Å²	22	59.3 Å²	59.3	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	-73.3	165.1	176.1	0	0	0	0	0	113.1	A148 V149	A148-G152 PolarHBondContact O-N 2.89Å; V149-G152 PolarHBondContact O-N 3.25Å
153	N	91.6	Very high	95.5	Very high	146 Å²	146	60.4 Å²	60.4	78%	0.781	33%	0.328	S	S	*	.			trans	-104.1	60.7	175.1	-170	16.6	0	0	0	111.2
154	Y	93.2	Very high	95.5	Very high	97 Å²	97	56.8 Å²	56.8	38%	0.38	31%	0.305	S	S	.	.	S	Bend	trans	-90.1	-4.4	-175.8	-59.5	-67.6	0	0	0	114.2	W156 T383 V385	Y154-W156 VanDerWaalsContact C-N 3.33Å; Y154-T383 HydrophobicContact CD1-CG2 3.61Å; Y154-T383 HydrophobicContact CD2-CG2 4Å; Y154-T383 HydrophobicContact CE1-CG2 4.16Å; Y154-T383 HydrophobicContact CE2-CG2 4.49Å; Y154-T383 HydrophobicContact CG-CG2 3.51Å; Y154-V385 HydrophobicContact CE2-CG1 3.66Å
155	G	91.8	Very high	95.5	Very high	31 Å²	31	58.2 Å²	58.2	32%	0.32	31%	0.305	S	S	.	.	S	Bend	trans	84.1	1.6	-179.3	0	0	0	0	0	115.3	I379	G155-I379 PolarHBondContact O-N 3.42Å
156	W	96.6	Very high	95.3	Very high	5 Å²	5	58.5 Å²	58.5	2%	0.019	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	165.9	174.3	65.3	-84	0	0	0	111.6	V149 Y154 A158 D371 Y375 S377 Y380 K381 T383	V149-W156 HydrophobicContact CB-CH2 4.29Å; V149-W156 HydrophobicContact CB-CZ2 4.43Å; V149-W156 HydrophobicContact CG1-CD2 3.88Å; V149-W156 HydrophobicContact CG1-CE3 3.85Å; V149-W156 HydrophobicContact CG1-CH2 3.68Å; V149-W156 HydrophobicContact CG1-CZ2 3.72Å; V149-W156 HydrophobicContact CG1-CZ3 3.75Å; V149-W156 HydrophobicContact CG2-CH2 3.7Å; V149-W156 HydrophobicContact CG2-CZ2 3.77Å; V149-W156 HydrophobicContact CG2-CZ3 4.48Å; Y154-W156 VanDerWaalsContact C-N 3.33Å; W156-A158 HydrophobicContact CZ3-CB 3.91Å; W156-D371 HydrophobicContact CH2-CB 4.09Å; W156-D371 WeakPolarHBondContact CH2-O 3.46Å; W156-D371 HydrophobicContact CZ2-CB 4.32Å; W156-Y375 HydrophobicContact CB-CD2 4.48Å; W156-Y375 HydrophobicContact CB-CE2 4.36Å; W156-Y375 AromaticContact CE3-CD2 3.95Å; W156-Y375 HydrophobicContact CE3-CD2 3.95Å; W156-S377 CarbonylContact C-O 3.48Å; W156-S377 WeakPolarHBondContact CA-O 3.49Å; W156-S377 VanDerWaalsContact CB-O 3.31Å; W156-S377 WeakPolarHBondContact CB-O 3.43Å; W156-Y380 AromaticContact CD2-CD2 3.99Å; W156-Y380 HydrophobicContact CD2-CD2 3.99Å; W156-Y380 AromaticContact CE2-CD2 3.8Å; W156-Y380 HydrophobicContact CE3-CD2 4.31Å; W156-Y380 HydrophobicContact CG-CD2 4.45Å; W156-Y380 HydrophobicContact CH2-CD2 4.32Å; W156-Y380 HydrophobicContact CH2-CE2 4.17Å; W156-Y380 AromaticContact CZ2-CD2 3.99Å; W156-Y380 HydrophobicContact CZ2-CD2 3.99Å; W156-Y380 AromaticContact CZ2-CE2 3.85Å; W156-Y380 HydrophobicContact CZ2-CE2 3.85Å; W156-Y380 HydrophobicContact CZ3-CD2 4.47Å; W156-K381 PolarHBondContact NE1-O 3.49Å; W156-T383 HydrophobicContact CZ2-CG2 3.86Å
157	K	98.1	Very high	95.1	Very high	97 Å²	97	58.7 Å²	58.7	42%	0.422	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.3	-179.4	-65.6	-61.4	-179	-167.7	0	111	N150 K376 S377	N150-K157 PolarHBondContact O-NZ 3.35Å; N150-K157 WeakPolarHBondContact OD1-CA 3.45Å; N150-K157 WeakPolarHBondContact OD1-CD 3.42Å; K157-K376 WeakPolarHBondContact O-CA 3.31Å; K157-K376 VanDerWaalsContact O-CB 3.3Å; K157-K376 WeakPolarHBondContact O-CB 3.46Å; K157-K376 PolarHBondContact O-N 2.9Å; K157-S377 PolarHBondContact N-O 3.22Å; K157-S377 PolarHBondContact O-N 3.11Å
158	A	98.4	Very high	95.1	Very high	7 Å²	7	56 Å²	56	6%	0.058	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149.2	-179.9	0	0	0	0	0	112	I146 V149 N150 W156 V374	I146-A158 HydrophobicContact CB-CB 4.33Å; I146-A158 HydrophobicContact CG1-CB 4.28Å; I146-A158 HydrophobicContact CG2-CB 4.16Å; V149-A158 HydrophobicContact CB-CB 3.99Å; V149-A158 HydrophobicContact CG1-CB 3.92Å; N150-A158 PolarHBondContact ND2-O 3.33Å; N150-A158 PolarHBondContact OD1-N 3.31Å; N150-A158 PolarHBondContact OD1-O 2.76Å; W156-A158 HydrophobicContact CZ3-CB 3.91Å; A158-V374 CarbonylContact C-O 3.51Å; A158-V374 WeakPolarHBondContact CA-O 3.34Å; A158-V374 HydrophobicContact CB-CB 4.16Å; A158-V374 HydrophobicContact CB-CG2 3.79Å
159	A	98.1	Very high	95.1	Very high	25 Å²	25	54.1 Å²	54.1	21%	0.207	28%	0.282	C	S	.	.			trans	-144.7	165.1	177	0	0	0	0	0	112.5	Y161 V374 K376	A159-Y161 HydrophobicContact CB-CE2 4.43Å; A159-V374 PolarHBondContact N-O 3.31Å; A159-V374 WeakPolarHBondContact O-CB 3.1Å; A159-K376 HydrophobicContact CB-CB 3.69Å; A159-K376 HydrophobicContact CB-CD 3.92Å; A159-K376 HydrophobicContact CB-CG 3.83Å
160	N	96.9	Very high	95.1	Very high	88 Å²	88	58.1 Å²	58.1	47%	0.471	30%	0.303	S	S	.	.			trans	-87.3	145.3	172.4	-174.4	1.7	0	0	0	110.4	I141 I146	I141-N160 HydrophobicContact CG2-CB 4.34Å; I141-N160 WeakPolarHBondContact CG2-OD1 3.26Å; I146-N160 HydrophobicContact CD1-CB 4.2Å
161	Y	95.6	Very high	95	Very high	13 Å²	13	59.1 Å²	59.1	5%	0.051	31%	0.306	C	S	.	.			trans	-127.5	120	176.6	-64.6	-76.2	0	0	0	110.3	A159 Q163 L164 Y165 Y375 K376 N429 W430 G431	A159-Y161 HydrophobicContact CB-CE2 4.43Å; Y161-Q163 PolarHBondContact O-N 2.91Å; Y161-L164 HydrophobicContact CD2-CD1 4.42Å; Y161-L164 PolarHBondContact O-N 3.32Å; Y161-Y165 PolarHBondContact O-N 3.38Å; Y161-Y375 PolarHBondContact OH-O 3.39Å; Y161-K376 WeakPolarHBondContact OH-CA 3.39Å; Y161-K376 VanDerWaalsContact OH-CD 3.22Å; Y161-K376 WeakPolarHBondContact OH-CD 3.33Å; Y161-N429 WeakPolarHBondContact CD1-O 3.39Å; Y161-N429 WeakPolarHBondContact CE1-O 2.86Å; Y161-W430 AromaticContact CD2-CD1 3.83Å; Y161-W430 HydrophobicContact CE1-CB 4.42Å; Y161-W430 AromaticContact CE2-CD1 3.71Å; Y161-W430 AromaticContact CE2-NE1 3.96Å; Y161-W430 AromaticContact CZ-CD1 3.9Å; Y161-G431 PolarHBondContact OH-N 2.94Å
162	S	92.6	Very high	94.9	Very high	117 Å²	117	48.9 Å²	48.9	82%	0.818	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.3	179	53.8	0	0	0	0	112.8	L164 Y165	S162-L164 PolarHBondContact O-N 2.86Å; S162-Y165 PolarHBondContact O-N 3.19Å
163	Q	91.6	Very high	95.1	Very high	49 Å²	49	49.2 Å²	49.2	23%	0.229	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.7	178.2	75	-174.2	18.3	0	0	114.7	Y161 R176 W426	Y161-Q163 PolarHBondContact O-N 2.91Å; Q163-R176 PolarHBondContact O-NH2 3.42Å; Q163-W426 PolarHBondContact NE2-O 3.26Å
164	L	94.6	Very high	95.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-16.7	179.3	-62	-175.6	0	0	0	112.3	L140 I141 Y161 S162 L167 R176 F373	L140-L164 HydrophobicContact CD2-CB 3.98Å; L140-L164 HydrophobicContact CD2-CD2 4.04Å; L140-L164 HydrophobicContact CD2-CG 4.39Å; I141-L164 HydrophobicContact CD1-CB 3.73Å; I141-L164 HydrophobicContact CD1-CD1 4.14Å; I141-L164 HydrophobicContact CG1-CB 3.78Å; Y161-L164 HydrophobicContact CD2-CD1 4.42Å; Y161-L164 PolarHBondContact O-N 3.32Å; S162-L164 PolarHBondContact O-N 2.86Å; L164-L167 PolarHBondContact O-N 2.93Å; L164-R176 HydrophobicContact CD2-CG 4.3Å; L164-F373 HydrophobicContact CD1-CB 4.47Å; L164-F373 HydrophobicContact CD1-CD1 4.48Å
165	Y	93.6	Very high	95.3	Very high	110 Å²	110	47.4 Å²	47.4	43%	0.431	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	137.6	-178.6	-167.5	-92.6	0	0	0	111.4	N120 I141 Y161 S162 L167	N120-Y165 HydrophobicContact CB-CE1 4.35Å; N120-Y165 HydrophobicContact CB-CE2 4.33Å; I141-Y165 HydrophobicContact CB-CD2 4.36Å; I141-Y165 HydrophobicContact CG2-CD2 4.35Å; Y161-Y165 PolarHBondContact O-N 3.38Å; S162-Y165 PolarHBondContact O-N 3.19Å; Y165-L167 VanDerWaalsContact C-N 3.32Å
166	G	92.4	Very high	95.4	Very high	14 Å²	14	46.1 Å²	46.1	14%	0.144	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-3.7	-179.1	0	0	0	0	0	115.7	N120	N120-G166 WeakPolarHBondContact O-CA 3.25Å; N120-G166 WeakPolarHBondContact OD1-CA 3.42Å; N120-G166 PolarHBondContact OD1-N 2.88Å
167	L	94.2	Very high	95.4	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.12	24%	0.236	C	C	.	.			trans	-82.9	145.3	168.5	-62.2	178	0	0	0	110.6	C121 L140 L164 Y165 E171	C121-L167 WeakPolarHBondContact CB-O 3.38Å; L140-L167 HydrophobicContact CB-CB 4.16Å; L140-L167 WeakPolarHBondContact CB-O 3.2Å; L140-L167 HydrophobicContact CD2-CB 4.14Å; L140-L167 HydrophobicContact CD2-CD1 4.04Å; L140-L167 PolarHBondContact N-O 3.28Å; L164-L167 PolarHBondContact O-N 2.93Å; Y165-L167 VanDerWaalsContact C-N 3.32Å; L167-E171 HydrophobicContact CB-CB 4.39Å; L167-E171 HydrophobicContact CD2-CB 4.36Å
168	T	97.1	Very high	95.3	Very high	23 Å²	23	42.2 Å²	42.2	14%	0.141	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-71.8	158.1	162.6	63.2	0	0	0	0	110.6	C121 N137 A138 D170 E171 G172	C121-T168 HydrophobicContact CB-CG2 3.99Å; N137-T168 HydrophobicContact CB-CG2 3.91Å; A138-T168 CarbonylContact O-C 3.03Å; A138-T168 VanDerWaalsContact O-CA 3.31Å; A138-T168 WeakPolarHBondContact O-CA 3.32Å; T168-D170 PolarHBondContact O-N 3.39Å; T168-E171 WeakPolarHBondContact CB-OE2 3.49Å; T168-E171 WeakPolarHBondContact CG2-OE2 3.13Å; T168-E171 PolarHBondContact N-OE2 2.81Å; T168-E171 PolarHBondContact O-N 3.14Å; T168-E171 WeakPolarHBondContact OG1-CB 3.18Å; T168-E171 VanDerWaalsContact OG1-CD 3.3Å; T168-E171 WeakPolarHBondContact OG1-CG 3.38Å; T168-E171 PolarHBondContact OG1-N 3.12Å; T168-E171 VanDerWaalsContact OG1-N 3.14Å; T168-E171 PolarHBondContact OG1-OE2 2.71Å; T168-G172 PolarHBondContact O-N 3.48Å
169	L	97.1	Very high	95.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-38.1	174.9	178.9	58	0	0	0	111.1	A138 L140 G172 I173 E370 F373 K395	A138-L169 HydrophobicContact CB-CB 3.97Å; A138-L169 HydrophobicContact CB-CD2 4.3Å; A138-L169 PolarHBondContact O-N 3.42Å; L140-L169 HydrophobicContact CD1-CD1 3.78Å; L169-G172 PolarHBondContact O-N 2.91Å; L169-I173 HydrophobicContact CD1-CD1 4.1Å; L169-I173 HydrophobicContact CD1-CG1 4.33Å; L169-I173 HydrophobicContact CG-CD1 4.13Å; L169-I173 WeakPolarHBondContact O-CG1 3.34Å; L169-I173 PolarHBondContact O-N 2.86Å; L169-E370 HydrophobicContact CD1-CB 3.82Å; L169-E370 HydrophobicContact CD2-CB 4.09Å; L169-F373 HydrophobicContact CD1-CE2 4.4Å; L169-K395 HydrophobicContact CD2-CB 3.86Å; L169-K395 HydrophobicContact CD2-CD 4.42Å; L169-K395 HydrophobicContact CD2-CG 4.14Å; L169-K395 HydrophobicContact CG-CB 4.2Å
170	D	96.2	Very high	95.2	Very high	84 Å²	84	45.6 Å²	45.6	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-42.7	175.8	-80.3	-45.7	0	0	0	112.9	T168 R174 K395	T168-D170 PolarHBondContact O-N 3.39Å; D170-R174 WeakPolarHBondContact O-CB 3.09Å; D170-R174 PolarHBondContact O-N 2.87Å; D170-K395 VanDerWaalsContact OD1-CD 3.31Å; D170-K395 WeakPolarHBondContact OD1-CD 3.29Å; D170-K395 IonicContact OD1-NZ 3.38Å; D170-K395 PolarHBondContact OD1-NZ 2.93Å; D170-K395 IonicContact OD2-NZ 3.87Å; D170-K395 PolarHBondContact OD2-NZ 3.44Å
171	E	95.3	Very high	95	Very high	74 Å²	74	46.2 Å²	46.2	35%	0.346	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-42.6	173.1	-74.1	166.7	136.4	0	0	111.5	L167 T168 I173 R174 F175	L167-E171 HydrophobicContact CB-CB 4.39Å; L167-E171 HydrophobicContact CD2-CB 4.36Å; T168-E171 WeakPolarHBondContact CB-OE2 3.49Å; T168-E171 WeakPolarHBondContact CG2-OE2 3.13Å; T168-E171 PolarHBondContact N-OE2 2.81Å; T168-E171 PolarHBondContact O-N 3.14Å; T168-E171 WeakPolarHBondContact OG1-CB 3.18Å; T168-E171 VanDerWaalsContact OG1-CD 3.3Å; T168-E171 WeakPolarHBondContact OG1-CG 3.38Å; T168-E171 PolarHBondContact OG1-N 3.12Å; T168-E171 VanDerWaalsContact OG1-N 3.14Å; T168-E171 PolarHBondContact OG1-OE2 2.71Å; E171-I173 PolarHBondContact O-N 3.32Å; E171-R174 PolarHBondContact O-N 3.18Å; E171-F175 HydrophobicContact CB-CD2 3.92Å; E171-F175 HydrophobicContact CB-CE2 3.74Å; E171-F175 HydrophobicContact CG-CE2 3.92Å; E171-F175 VanDerWaalsContact O-CB 3.27Å; E171-F175 WeakPolarHBondContact O-CB 3.4Å; E171-F175 WeakPolarHBondContact O-CD2 3.43Å; E171-F175 VanDerWaalsContact O-CG 3.27Å; E171-F175 WeakPolarHBondContact O-CG 3.36Å; E171-F175 PolarHBondContact O-N 2.86Å
172	G	95.8	Very high	94.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-51.6	175.6	0	0	0	0	0	112.2	T168 L169 F175 R176	T168-G172 PolarHBondContact O-N 3.48Å; L169-G172 PolarHBondContact O-N 2.91Å; G172-F175 PolarHBondContact O-N 3.11Å; G172-R176 WeakPolarHBondContact O-CB 3.13Å; G172-R176 PolarHBondContact O-N 3.35Å
173	I	96.3	Very high	94.8	Very high	30 Å²	30	42.9 Å²	42.9	15%	0.154	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-50.4	175.9	-71.9	171.9	0	0	0	110.4	L169 E171 F175 L177 F373 K395	L169-I173 HydrophobicContact CD1-CD1 4.1Å; L169-I173 HydrophobicContact CD1-CG1 4.33Å; L169-I173 HydrophobicContact CG-CD1 4.13Å; L169-I173 WeakPolarHBondContact O-CG1 3.34Å; L169-I173 PolarHBondContact O-N 2.86Å; E171-I173 PolarHBondContact O-N 3.32Å; I173-F175 VanDerWaalsContact C-N 3.34Å; I173-F175 PolarHBondContact O-N 3.16Å; I173-L177 HydrophobicContact CB-CD1 4.26Å; I173-L177 HydrophobicContact CG1-CD1 3.95Å; I173-L177 HydrophobicContact CG2-CD1 4.16Å; I173-L177 WeakPolarHBondContact O-CA 3.42Å; I173-L177 VanDerWaalsContact O-CB 3.25Å; I173-L177 WeakPolarHBondContact O-CB 3.08Å; I173-L177 PolarHBondContact O-N 2.77Å; I173-F373 HydrophobicContact CG1-CE2 4.32Å; I173-F373 HydrophobicContact CG1-CZ 4.25Å; I173-K395 HydrophobicContact CD1-CB 3.27Å; I173-K395 HydrophobicContact CD1-CD 4.36Å; I173-K395 HydrophobicContact CD1-CG 4.44Å
174	R	94.9	Very high	94.7	Very high	170 Å²	170	44.6 Å²	44.6	64%	0.642	22%	0.22	S	C	*	.	H	α-helix	trans	-61.5	-38.2	-177.5	-179.5	177.4	178.7	162.7	-0.2	113.3	D170 E171 A227	D170-R174 WeakPolarHBondContact O-CB 3.09Å; D170-R174 PolarHBondContact O-N 2.87Å; E171-R174 PolarHBondContact O-N 3.18Å; R174-A227 WeakPolarHBondContact O-CB 3.35Å
175	F	93.4	Very high	94.5	Very high	34 Å²	34	49.7 Å²	49.7	15%	0.149	25%	0.251	C	S	.	.	H	α-helix	trans	-94.2	-31.6	-173.6	-63.5	-38.2	0	0	0	113.5	E171 G172 I173 Q223 N225 C226 A227 P302	E171-F175 HydrophobicContact CB-CD2 3.92Å; E171-F175 HydrophobicContact CB-CE2 3.74Å; E171-F175 HydrophobicContact CG-CE2 3.92Å; E171-F175 VanDerWaalsContact O-CB 3.27Å; E171-F175 WeakPolarHBondContact O-CB 3.4Å; E171-F175 WeakPolarHBondContact O-CD2 3.43Å; E171-F175 VanDerWaalsContact O-CG 3.27Å; E171-F175 WeakPolarHBondContact O-CG 3.36Å; E171-F175 PolarHBondContact O-N 2.86Å; G172-F175 PolarHBondContact O-N 3.11Å; I173-F175 VanDerWaalsContact C-N 3.34Å; I173-F175 PolarHBondContact O-N 3.16Å; F175-Q223 PolarHBondContact O-NE2 3.26Å; F175-N225 HydrophobicContact CB-CB 4.16Å; F175-N225 HydrophobicContact CD2-CB 4.29Å; F175-N225 HydrophobicContact CG-CB 4.11Å; F175-C226 CarbonylContact O-C 3.54Å; F175-A227 WeakPolarHBondContact O-CA 3.37Å; F175-A227 PolarHBondContact O-N 2.8Å; F175-P302 HydrophobicContact CD1-CG 4.29Å; F175-P302 HydrophobicContact CE1-CG 3.79Å
176	R	95.1	Very high	94.3	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.019	24%	0.238	C	C	.	.	H	α-helix	trans	-98.3	-26.7	-175.7	-59.3	-62	-174.5	162	3	112.8	Q163 L164 G172 D222 Q223 G224 F373 H399 W426	Q163-R176 PolarHBondContact O-NH2 3.42Å; L164-R176 HydrophobicContact CD2-CG 4.3Å; G172-R176 WeakPolarHBondContact O-CB 3.13Å; G172-R176 PolarHBondContact O-N 3.35Å; R176-D222 IonicContact NH1-OD1 3.04Å; R176-D222 PolarHBondContact NH1-OD1 3.46Å; R176-Q223 PolarHBondContact O-NE2 3.37Å; R176-G224 WeakPolarHBondContact CD-O 3.43Å; R176-G224 VanDerWaalsContact CZ-O 3.31Å; R176-G224 PolarHBondContact NE-O 3.27Å; R176-G224 PolarHBondContact NH1-O 2.87Å; R176-F373 HydrophobicContact CB-CE1 3.96Å; R176-F373 HydrophobicContact CG-CE1 4.34Å; R176-H399 PolarHBondContact O-CE1 3.35Å; R176-H399 PolarHBondContact O-ND1 3.29Å; R176-W426 HydrophobicContact CB-CZ2 4.1Å
177	L	97.1	Very high	94.1	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.094	24%	0.241	C	C	.	.			trans	-103.9	92.5	-177	-45.4	-174.6	0	0	0	110.4	I173 V368 F373 H399 W426	I173-L177 HydrophobicContact CB-CD1 4.26Å; I173-L177 HydrophobicContact CG1-CD1 3.95Å; I173-L177 HydrophobicContact CG2-CD1 4.16Å; I173-L177 WeakPolarHBondContact O-CA 3.42Å; I173-L177 VanDerWaalsContact O-CB 3.25Å; I173-L177 WeakPolarHBondContact O-CB 3.08Å; I173-L177 PolarHBondContact O-N 2.77Å; L177-V368 HydrophobicContact CD1-CB 3.89Å; L177-V368 HydrophobicContact CD1-CG1 4.01Å; L177-V368 HydrophobicContact CD2-CB 3.79Å; L177-V368 HydrophobicContact CD2-CG1 3.74Å; L177-V368 HydrophobicContact CD2-CG2 4.04Å; L177-F373 HydrophobicContact CD1-CE2 4.49Å; L177-F373 HydrophobicContact CD1-CZ 3.96Å; L177-F373 HydrophobicContact CD2-CE1 4.3Å; L177-F373 HydrophobicContact CD2-CZ 3.98Å; L177-F373 HydrophobicContact CG-CZ 4Å; L177-H399 HydrophobicContact CD2-CB 4.02Å; L177-W426 HydrophobicContact CD2-CZ2 3.88Å
178	G	95.5	Very high	93.7	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.021	27%	0.268	C	S	.	.			trans	-101	-1	-171.5	0	0	0	0	0	116	A227 S229 W230 G272 G273	G178-A227 VanDerWaalsContact CA-O 3.23Å; G178-A227 WeakPolarHBondContact CA-O 3.03Å; G178-S229 PolarHBondContact N-OG 2.83Å; G178-W230 VanDerWaalsContact O-CD1 3.24Å; G178-G272 CarbonylContact O-C 3.43Å; G178-G272 WeakPolarHBondContact O-CA 3.4Å; G178-G273 PolarHBondContact O-N 3.03Å
179	T	97.6	Very high	93.2	Very high	9 Å²	9	55 Å²	55	6%	0.055	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-93.7	122.7	-171.4	-61.1	0	0	0	0	109.8	S229 W230 V275 I365 T398 S400	T179-S229 PolarHBondContact OG1-OG 3.35Å; T179-W230 PolarHBondContact OG1-N 2.81Å; T179-V275 HydrophobicContact CG2-CG1 4.06Å; T179-I365 HydrophobicContact CG2-CD1 4.01Å; T179-I365 HydrophobicContact CG2-CG1 4.18Å; T179-I365 HydrophobicContact CG2-CG2 4.45Å; T179-T398 HydrophobicContact CG2-CG2 4.15Å; T179-T398 PolarHBondContact N-O 3.01Å; T179-T398 VanDerWaalsContact O-CB 3.29Å; T179-T398 WeakPolarHBondContact O-CB 3.45Å; T179-S400 WeakPolarHBondContact OG1-CB 3.2Å; T179-S400 PolarHBondContact OG1-N 3.48Å; T179-S400 VanDerWaalsContact OG1-N 3.09Å; T179-S400 PolarHBondContact OG1-OG 3.45Å
180	K	96.4	Very high	92.8	Very high	94 Å²	94	62.4 Å²	62.4	41%	0.409	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-80.8	130.2	172.5	-67.2	-179.3	-179.8	175.2	0	109	G273 R274	K180-G273 PolarHBondContact N-O 3.08Å; K180-R274 HydrophobicContact CB-CG 3.88Å; K180-R274 HydrophobicContact CD-CG 4.39Å
181	K	93.1	Very high	92.5	Very high	100 Å²	100	61.7 Å²	61.7	44%	0.435	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-53.6	132.8	176.8	-162.9	159.9	-167.8	144.3	0	110.2	E367 E446	K181-E367 IonicContact NZ-OE1 3.47Å; K181-E367 PolarHBondContact NZ-OE1 2.72Å; K181-E446 IonicContact NZ-OE1 3.37Å; K181-E446 PolarHBondContact NZ-OE1 3.01Å; K181-E446 IonicContact NZ-OE2 2.76Å; K181-E446 PolarHBondContact NZ-OE2 3.08Å
182	P	91.8	Very high	92.1	Very high	12 Å²	12	61.8 Å²	61.8	8%	0.078	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-60	151.9	177.3	-21.1	31.9	0	0	0	111.5	I186 M187 I365 F450	P182-I186 HydrophobicContact CB-CB 4.02Å; P182-I186 HydrophobicContact CB-CG2 3.79Å; P182-M187 HydrophobicContact CB-CG 4.09Å; P182-M187 HydrophobicContact CB-SD 3.9Å; P182-M187 HydrophobicContact CG-SD 3.91Å; P182-I365 HydrophobicContact CG-CD1 3.5Å; P182-I365 VanDerWaalsContact CG-CD1 3.5Å; P182-F450 HydrophobicContact CB-CE2 4.36Å; P182-F450 HydrophobicContact CB-CZ 4.31Å; P182-F450 HydrophobicContact CG-CD1 3.94Å; P182-F450 HydrophobicContact CG-CD2 4.29Å; P182-F450 HydrophobicContact CG-CE1 3.85Å; P182-F450 HydrophobicContact CG-CE2 4.24Å; P182-F450 HydrophobicContact CG-CG 4.15Å; P182-F450 HydrophobicContact CG-CZ 4.02Å
183	S	91.7	Very high	91.3	Very high	49 Å²	49	68.4 Å²	68.4	34%	0.343	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.9	160.2	173.6	66.8	0	0	0	0	110.9	T185 I186 M187	S183-T185 PolarHBondContact O-N 3.26Å; S183-I186 PolarHBondContact O-N 3.45Å; S183-I186 WeakPolarHBondContact OG-CG1 3.36Å; S183-I186 PolarHBondContact OG-N 2.9Å; S183-M187 WeakPolarHBondContact O-CG 3.13Å; S183-M187 PolarHBondContact O-N 3.07Å
184	S	89.9	Confident	90.5	Very high	85 Å²	85	68.4 Å²	68.4	59%	0.594	35%	0.347	S	S	*	.	H	α-helix	trans	-53.3	-38.7	175.6	54	0	0	0	0	112.8	I186 M187 N188	S184-I186 VanDerWaalsContact C-N 3.32Å; S184-I186 PolarHBondContact O-N 3Å; S184-M187 PolarHBondContact O-N 3.1Å; S184-N188 WeakPolarHBondContact O-CB 3.43Å; S184-N188 PolarHBondContact O-N 2.57Å; S184-N188 PolarHBondContact O-ND2 3.05Å
185	T	88.9	Confident	89.7	Confident	106 Å²	106	67.8 Å²	67.8	65%	0.65	36%	0.356	S	S	*	.	H	α-helix	trans	-61.6	-38.7	175.4	-47.3	0	0	0	0	112.7	S183 M189	S183-T185 PolarHBondContact O-N 3.26Å; T185-M189 PolarHBondContact O-N 2.98Å
186	I	89.8	Confident	89	Confident	29 Å²	29	68.3 Å²	68.3	15%	0.149	36%	0.36	C	S	.	.	H	α-helix	trans	-76.2	-40	178.7	-62.6	-61.7	0	0	0	110.5	P182 S183 S184 N188 M189 D276 F450	P182-I186 HydrophobicContact CB-CB 4.02Å; P182-I186 HydrophobicContact CB-CG2 3.79Å; S183-I186 PolarHBondContact O-N 3.45Å; S183-I186 WeakPolarHBondContact OG-CG1 3.36Å; S183-I186 PolarHBondContact OG-N 2.9Å; S184-I186 VanDerWaalsContact C-N 3.32Å; S184-I186 PolarHBondContact O-N 3Å; I186-N188 PolarHBondContact O-N 2.96Å; I186-M189 HydrophobicContact CB-SD 4.39Å; I186-M189 HydrophobicContact CD1-SD 3.65Å; I186-M189 HydrophobicContact CG2-SD 3.99Å; I186-M189 WeakPolarHBondContact O-CB 3.31Å; I186-M189 WeakPolarHBondContact O-CG 3.21Å; I186-M189 PolarHBondContact O-N 2.85Å; I186-D276 HydrophobicContact CG2-CB 4.32Å; I186-F450 HydrophobicContact CG2-CE2 3.81Å; I186-F450 HydrophobicContact CG2-CZ 3.6Å
187	M	88.1	Confident	88.2	Confident	43 Å²	43	70.7 Å²	70.7	21%	0.212	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-33.2	173	-68.9	-61.8	-66.3	0	0	111.8	P182 S183 S184 R344 F450	P182-M187 HydrophobicContact CB-CG 4.09Å; P182-M187 HydrophobicContact CB-SD 3.9Å; P182-M187 HydrophobicContact CG-SD 3.91Å; S183-M187 WeakPolarHBondContact O-CG 3.13Å; S183-M187 PolarHBondContact O-N 3.07Å; S184-M187 PolarHBondContact O-N 3.1Å; M187-R344 PolarHBondContact O-NE 2.73Å; M187-R344 PolarHBondContact O-NH1 3.22Å; M187-F450 HydrophobicContact CE-CB 4.19Å; M187-F450 HydrophobicContact CE-CD2 4.24Å; M187-F450 HydrophobicContact SD-CB 4.02Å; M187-F450 HydrophobicContact SD-CD2 3.39Å; M187-F450 WeakPolarHBondContact SD-CD2 3.46Å; M187-F450 HydrophobicContact SD-CE2 4.1Å; M187-F450 HydrophobicContact SD-CG 3.89Å
188	N	87	Confident	87	Confident	126 Å²	126	75.8 Å²	75.8	67%	0.674	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	14.2	180	-62.7	-18.2	0	0	0	113.4	S184 I186	S184-N188 WeakPolarHBondContact O-CB 3.43Å; S184-N188 PolarHBondContact O-N 2.57Å; S184-N188 PolarHBondContact O-ND2 3.05Å; I186-N188 PolarHBondContact O-N 2.96Å
189	M	87.2	Confident	85.7	Confident	83 Å²	83	82.4 Å²	82.4	41%	0.409	44%	0.441	S	S	.	.	S	Bend	trans	-61.2	142.1	172.8	-77.4	175.3	60.3	0	0	110.4	T185 I186 E191 R344	T185-M189 PolarHBondContact O-N 2.98Å; I186-M189 HydrophobicContact CB-SD 4.39Å; I186-M189 HydrophobicContact CD1-SD 3.65Å; I186-M189 HydrophobicContact CG2-SD 3.99Å; I186-M189 WeakPolarHBondContact O-CB 3.31Å; I186-M189 WeakPolarHBondContact O-CG 3.21Å; I186-M189 PolarHBondContact O-N 2.85Å; M189-E191 PolarHBondContact O-N 2.82Å; M189-R344 PolarHBondContact O-NH1 3.02Å
190	N	87.8	Confident	84.5	Confident	157 Å²	157	88 Å²	88	84%	0.84	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-54	127.9	175.4	-69.1	-13.4	0	0	0	110.3
191	E	89.8	Confident	83.6	Confident	69 Å²	69	85.5 Å²	85.5	32%	0.322	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.9	176.8	-64.9	163	-168	0	0	108.9	M189 Q193 R344 S346	M189-E191 PolarHBondContact O-N 2.82Å; E191-Q193 PolarHBondContact O-N 2.88Å; E191-R344 WeakPolarHBondContact CA-O 3.37Å; E191-R344 HydrophobicContact CG-CG 4.29Å; E191-R344 IonicContact OE1-CZ 2.74Å; E191-R344 VanDerWaalsContact OE1-CZ 3.28Å; E191-R344 IonicContact OE1-NH1 3.02Å; E191-R344 PolarHBondContact OE1-NH1 2.87Å; E191-R344 IonicContact OE1-NH2 3.13Å; E191-R344 PolarHBondContact OE1-NH2 3.49Å; E191-S346 WeakPolarHBondContact OE2-CA 3.35Å; E191-S346 WeakPolarHBondContact OE2-CB 3.34Å
192	I	87.9	Confident	83.3	Confident	76 Å²	76	90.8 Å²	90.8	39%	0.39	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	119.4	164.1	-78.1	-168.1	0	0	0	107.1	Y343 R344	I192-Y343 HydrophobicContact CB-CD2 4.11Å; I192-Y343 VanDerWaalsContact CD1-CB 3.48Å; I192-Y343 HydrophobicContact CD1-CD1 4.07Å; I192-Y343 HydrophobicContact CD1-CD2 3.55Å; I192-Y343 HydrophobicContact CD1-CE2 4.22Å; I192-Y343 HydrophobicContact CD1-CG 3.42Å; I192-Y343 VanDerWaalsContact CD1-CG 3.42Å; I192-Y343 HydrophobicContact CG1-CD2 4.06Å; I192-Y343 HydrophobicContact CG1-CG 4.15Å; I192-R344 PolarHBondContact N-O 2.91Å
193	Q	77.3	Confident	83.3	Confident	139 Å²	139	92 Å²	92	65%	0.65	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-78.2	118.3	169.8	-66.5	-70.1	-59.1	0	0	108.1	E191	E191-Q193 PolarHBondContact O-N 2.88Å
194	M	80.8	Confident	83.4	Confident	31 Å²	31	92.2 Å²	92.2	15%	0.153	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-81	128.2	172.9	-57.5	-155.9	136.1	0	0	109.4	M196 L345 E351 K354 E355	M194-M196 HydrophobicContact CB-CG 4.47Å; M194-M196 PolarHBondContact O-N 2.92Å; M194-L345 HydrophobicContact CE-CD2 3.88Å; M194-E351 HydrophobicContact CB-CB 4.33Å; M194-E351 HydrophobicContact CB-CG 4.06Å; M194-E351 HydrophobicContact CG-CB 4.11Å; M194-E351 HydrophobicContact CG-CG 4.35Å; M194-E351 PolarHBondContact N-OE2 3.2Å; M194-E351 HydrophobicContact SD-CB 4.21Å; M194-K354 HydrophobicContact SD-CB 4.02Å; M194-K354 HydrophobicContact SD-CG 4.26Å; M194-E355 HydrophobicContact CE-CB 3.4Å; M194-E355 VanDerWaalsContact CE-CB 3.4Å; M194-E355 HydrophobicContact CE-CG 3.96Å; M194-E355 WeakPolarHBondContact CE-OE2 3.34Å; M194-E355 HydrophobicContact SD-CB 3.9Å
195	N	77.4	Confident	83.6	Confident	156 Å²	156	93.9 Å²	93.9	83%	0.834	49%	0.487	S	S	*	.			trans	-73.3	97.8	172.9	-169.5	15.5	0	0	0	108.4
196	M	78.7	Confident	84	Confident	45 Å²	45	93.5 Å²	93.5	22%	0.222	47%	0.474	C	S	.	.			trans	-92.5	114.3	175.6	-65.3	-66.2	-67.5	0	0	108.7	M194 P198 D201 L203 K350 E351 K354	M194-M196 HydrophobicContact CB-CG 4.47Å; M194-M196 PolarHBondContact O-N 2.92Å; M196-P198 VanDerWaalsContact O-CD 3.3Å; M196-P198 WeakPolarHBondContact O-CD 3.28Å; M196-D201 WeakPolarHBondContact CA-OD2 3.32Å; M196-D201 HydrophobicContact CE-CB 4.02Å; M196-L203 HydrophobicContact CE-CD1 3.99Å; M196-L203 HydrophobicContact CE-CG 4.32Å; M196-K350 HydrophobicContact CE-CB 4.32Å; M196-E351 HydrophobicContact CG-CG 4.33Å; M196-K354 HydrophobicContact CE-CB 4.14Å; M196-K354 HydrophobicContact CE-CD 4.35Å; M196-K354 HydrophobicContact CE-CG 4.39Å; M196-K354 HydrophobicContact SD-CB 3.52Å; M196-K354 VanDerWaalsContact SD-CB 3.52Å; M196-K354 HydrophobicContact SD-CD 3.95Å; M196-K354 HydrophobicContact SD-CG 3.49Å; M196-K354 WeakPolarHBondContact SD-CG 3.41Å
197	D	78.4	Confident	84.4	Confident	56 Å²	56	92.9 Å²	92.9	30%	0.299	47%	0.47	S	S	.	.			trans	-82.3	111.5	169.1	-176.5	-23.7	0	0	0	109.3	L199 N200 D201	D197-L199 PolarHBondContact O-N 3.41Å; D197-L199 VanDerWaalsContact O-N 3.08Å; D197-L199 WeakPolarHBondContact OD1-CB 3.26Å; D197-L199 PolarHBondContact OD1-N 3.01Å; D197-N200 HydrophobicContact CB-CB 4.08Å; D197-N200 PolarHBondContact O-N 3.4Å; D197-N200 PolarHBondContact OD1-N 2.75Å; D197-N200 PolarHBondContact OD2-ND2 2.86Å; D197-D201 PolarHBondContact N-OD2 3.13Å; D197-D201 WeakPolarHBondContact O-CA 3.43Å; D197-D201 VanDerWaalsContact O-CB 3.32Å; D197-D201 WeakPolarHBondContact O-CB 3.48Å; D197-D201 PolarHBondContact O-N 2.76Å
198	P	71.9	Confident	84.9	Confident	125 Å²	125	91.8 Å²	91.8	81%	0.812	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.9	-177.3	-20.8	33.4	0	0	0	114.2	M196	M196-P198 VanDerWaalsContact O-CD 3.3Å; M196-P198 WeakPolarHBondContact O-CD 3.28Å
199	L	69.3	Low	85.5	Confident	140 Å²	140	85.8 Å²	85.8	73%	0.733	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-37.1	-179.6	-71.7	158.1	0	0	0	111.8	D197	D197-L199 PolarHBondContact O-N 3.41Å; D197-L199 VanDerWaalsContact O-N 3.08Å; D197-L199 WeakPolarHBondContact OD1-CB 3.26Å; D197-L199 PolarHBondContact OD1-N 3.01Å
200	N	71.7	Confident	86	Confident	126 Å²	126	84.3 Å²	84.3	67%	0.674	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-30.3	-172.4	-68.5	-42.6	0	0	0	114.3	D197 R202	D197-N200 HydrophobicContact CB-CB 4.08Å; D197-N200 PolarHBondContact O-N 3.4Å; D197-N200 PolarHBondContact OD1-N 2.75Å; D197-N200 PolarHBondContact OD2-ND2 2.86Å; N200-R202 VanDerWaalsContact C-N 3.31Å; N200-R202 PolarHBondContact O-N 2.81Å
201	D	77.2	Confident	86.4	Confident	43 Å²	43	82.6 Å²	82.6	23%	0.23	41%	0.414	C	S	.	.			trans	-89.2	66.6	-179.1	-67.2	-43.5	0	0	0	111.6	M196 D197 L203 K354	M196-D201 WeakPolarHBondContact CA-OD2 3.32Å; M196-D201 HydrophobicContact CE-CB 4.02Å; D197-D201 PolarHBondContact N-OD2 3.13Å; D197-D201 WeakPolarHBondContact O-CA 3.43Å; D197-D201 VanDerWaalsContact O-CB 3.32Å; D197-D201 WeakPolarHBondContact O-CB 3.48Å; D197-D201 PolarHBondContact O-N 2.76Å; D201-L203 PolarHBondContact O-N 3.26Å; D201-K354 WeakPolarHBondContact OD1-CE 3.12Å; D201-K354 IonicContact OD1-NZ 3.54Å; D201-K354 PolarHBondContact OD1-NZ 2.82Å
202	R	86.2	Confident	86.8	Confident	211 Å²	211	84 Å²	84	80%	0.796	42%	0.418	S	S	*	.			trans	-79	104.2	171.1	-67.5	-174.5	-177	-176.3	0.1	110.2	N200	N200-R202 VanDerWaalsContact C-N 3.31Å; N200-R202 PolarHBondContact O-N 2.81Å
203	L	91.8	Very high	87.3	Confident	37 Å²	37	82 Å²	82	19%	0.194	41%	0.406	C	S	.	.			trans	-74.3	131	174.7	-61	170.3	0	0	0	110.3	M196 D201 K350 M353 K354 M357	M196-L203 HydrophobicContact CE-CD1 3.99Å; M196-L203 HydrophobicContact CE-CG 4.32Å; D201-L203 PolarHBondContact O-N 3.26Å; L203-K350 HydrophobicContact CD1-CB 3.84Å; L203-K350 HydrophobicContact CD1-CG 4.13Å; L203-M353 HydrophobicContact CB-CE 3.82Å; L203-M353 HydrophobicContact CD1-CB 3.78Å; L203-M353 HydrophobicContact CD1-CE 3.94Å; L203-M353 HydrophobicContact CD1-CG 4.49Å; L203-M353 HydrophobicContact CD1-SD 3.94Å; L203-M353 HydrophobicContact CD2-CB 4.28Å; L203-M353 HydrophobicContact CG-CE 4.46Å; L203-K354 HydrophobicContact CD2-CB 4.38Å; L203-K354 HydrophobicContact CD2-CD 4.14Å; L203-M357 HydrophobicContact CD2-CE 3.71Å; L203-M357 HydrophobicContact CD2-SD 4.1Å
204	P	94.4	Very high	88.2	Confident	53 Å²	53	79.6 Å²	79.6	34%	0.344	40%	0.403	S	S	.	.			trans	-68	157.4	177.3	30.2	-37.3	0	0	0	111.6	Y206 F207 M357 W406	P204-Y206 VanDerWaalsContact C-N 3.25Å; P204-Y206 WeakPolarHBondContact CB-O 3.3Å; P204-Y206 WeakPolarHBondContact CG-O 3.32Å; P204-Y206 PolarHBondContact O-N 3.33Å; P204-F207 HydrophobicContact CG-CB 4.28Å; P204-M357 HydrophobicContact CG-SD 4.44Å; P204-W406 HydrophobicContact CG-CZ2 4Å; P204-W406 PolarHBondContact O-NE1 2.7Å
205	L	94.6	Very high	88.9	Confident	121 Å²	121	81.5 Å²	81.5	63%	0.634	43%	0.43	S	S	*	.	S	Bend	trans	-65.6	-30.8	175.9	-66.5	176.6	0	0	0	112.7	G407	L205-G407 CarbonylContact O-C 3.49Å; L205-G407 WeakPolarHBondContact O-CA 3.44Å
206	Y	97.5	Very high	89.9	Confident	97 Å²	97	76.3 Å²	76.3	38%	0.38	40%	0.4	S	S	.	.			trans	-129.6	139.2	177.5	174.8	-95.9	0	0	0	110.2	P204 N208 E211 W406 I421	P204-Y206 VanDerWaalsContact C-N 3.25Å; P204-Y206 WeakPolarHBondContact CB-O 3.3Å; P204-Y206 WeakPolarHBondContact CG-O 3.32Å; P204-Y206 PolarHBondContact O-N 3.33Å; Y206-N208 HydrophobicContact CE1-CB 4.06Å; Y206-N208 WeakPolarHBondContact OH-CB 3.47Å; Y206-N208 PolarHBondContact OH-ND2 2.68Å; Y206-E211 WeakPolarHBondContact CE1-OE1 3.43Å; Y206-E211 WeakPolarHBondContact CE1-OE2 3.46Å; Y206-E211 PolarHBondContact OH-OE1 3.11Å; Y206-W406 WeakPolarHBondContact CA-O 3.47Å; Y206-W406 WeakPolarHBondContact CD2-O 3.36Å; Y206-I421 HydrophobicContact CE2-CD1 3.89Å
207	F	98.4	Very high	90.8	Very high	17 Å²	17	74.9 Å²	74.9	8%	0.075	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	137.5	173.4	178.4	-86.2	0	0	0	109.8	P204 K212 W213 I356 M357 G405 W406	P204-F207 HydrophobicContact CG-CB 4.28Å; F207-K212 HydrophobicContact CE2-CB 4.21Å; F207-K212 HydrophobicContact CE2-CD 3.4Å; F207-K212 HydrophobicContact CE2-CG 4.42Å; F207-K212 HydrophobicContact CZ-CB 4.13Å; F207-K212 HydrophobicContact CZ-CD 3.58Å; F207-K212 HydrophobicContact CZ-CG 4.46Å; F207-W213 HydrophobicContact CE1-CZ3 4.24Å; F207-W213 AromaticContact CZ-CH2 3.99Å; F207-W213 HydrophobicContact CZ-CH2 3.99Å; F207-W213 AromaticContact CZ-CZ3 3.73Å; F207-W213 HydrophobicContact CZ-CZ3 3.73Å; F207-I356 HydrophobicContact CD1-CG2 4.05Å; F207-I356 HydrophobicContact CE1-CG2 3.69Å; F207-M357 HydrophobicContact CD2-CG 4.02Å; F207-M357 HydrophobicContact CE2-CB 4.28Å; F207-M357 HydrophobicContact CE2-CG 3.67Å; F207-M357 HydrophobicContact CZ-CG 4.34Å; F207-G405 CarbonylContact O-C 3.58Å; F207-G405 WeakPolarHBondContact O-CA 3.49Å; F207-W406 HydrophobicContact CB-CD2 3.75Å; F207-W406 VanDerWaalsContact CB-CE2 3.42Å; F207-W406 HydrophobicContact CB-CE3 3.87Å; F207-W406 HydrophobicContact CB-CH2 3.41Å; F207-W406 VanDerWaalsContact CB-CH2 3.41Å; F207-W406 HydrophobicContact CB-CZ2 3.29Å; F207-W406 HydrophobicContact CB-CZ3 3.7Å; F207-W406 HydrophobicContact CD1-CE3 4.04Å; F207-W406 AromaticContact CD1-CH2 3.79Å; F207-W406 HydrophobicContact CD1-CH2 3.79Å; F207-W406 AromaticContact CD1-CZ3 3.49Å; F207-W406 HydrophobicContact CD1-CZ3 3.49Å; F207-W406 VanDerWaalsContact CD1-CZ3 3.49Å; F207-W406 HydrophobicContact CD2-CH2 4.03Å; F207-W406 HydrophobicContact CD2-CZ2 4.44Å; F207-W406 HydrophobicContact CE1-CZ3 4.28Å; F207-W406 HydrophobicContact CG-CE3 4.26Å; F207-W406 AromaticContact CG-CH2 3.47Å; F207-W406 HydrophobicContact CG-CH2 3.47Å; F207-W406 VanDerWaalsContact CG-CH2 3.47Å; F207-W406 AromaticContact CG-CZ2 3.89Å; F207-W406 HydrophobicContact CG-CZ2 3.89Å; F207-W406 AromaticContact CG-CZ3 3.68Å; F207-W406 HydrophobicContact CG-CZ3 3.68Å; F207-W406 PolarHBondContact N-O 3.07Å; F207-W406 PolarHBondContact O-N 2.81Å; F207-W406 VanDerWaalsContact O-O 3.11Å
208	N	98.3	Very high	91.7	Very high	20 Å²	20	73.4 Å²	73.4	11%	0.107	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	121.9	174.8	-173.4	-15.5	0	0	0	110.3	Y206 L210 E211 K212 L404 I421	Y206-N208 HydrophobicContact CE1-CB 4.06Å; Y206-N208 WeakPolarHBondContact OH-CB 3.47Å; Y206-N208 PolarHBondContact OH-ND2 2.68Å; N208-L210 PolarHBondContact O-N 3.41Å; N208-L210 WeakPolarHBondContact OD1-CB 3.21Å; N208-L210 PolarHBondContact OD1-N 3.1Å; N208-E211 HydrophobicContact CB-CB 4.4Å; N208-E211 HydrophobicContact CB-CG 4.14Å; N208-E211 PolarHBondContact O-N 3.37Å; N208-E211 VanDerWaalsContact O-N 3.08Å; N208-K212 PolarHBondContact O-N 3.13Å; N208-L404 WeakPolarHBondContact OD1-CD1 3.36Å; N208-I421 HydrophobicContact CB-CD1 4.43Å
209	S	98.4	Very high	92.9	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-30.1	179.5	-64.1	0	0	0	0	112.9	E211 K212 W213 I217 L404	S209-E211 VanDerWaalsContact C-N 3.28Å; S209-E211 PolarHBondContact O-N 3.1Å; S209-K212 PolarHBondContact O-N 3Å; S209-W213 PolarHBondContact O-N 3.13Å; S209-I217 WeakPolarHBondContact O-CG1 3.11Å; S209-L404 WeakPolarHBondContact CB-O 3.13Å; S209-L404 PolarHBondContact N-O 3.44Å; S209-L404 PolarHBondContact OG-O 2.96Å
210	L	97.4	Very high	94.2	Very high	52 Å²	52	65 Å²	65	27%	0.272	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-38.2	176.6	-71.1	157.6	0	0	0	111.5	N208 I217 L404 Y435	N208-L210 PolarHBondContact O-N 3.41Å; N208-L210 WeakPolarHBondContact OD1-CB 3.21Å; N208-L210 PolarHBondContact OD1-N 3.1Å; L210-I217 HydrophobicContact CD2-CB 3.78Å; L210-I217 HydrophobicContact CD2-CG2 3.73Å; L210-I217 HydrophobicContact CG-CB 4.38Å; L210-I217 HydrophobicContact CG-CG2 4.15Å; L210-L404 HydrophobicContact CD1-CD1 4.07Å; L210-L404 HydrophobicContact CG-CD1 4.32Å; L210-Y435 HydrophobicContact CD1-CE1 4.18Å
211	E	98	Very high	95.4	Very high	121 Å²	121	61.7 Å²	61.7	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-78.7	-41.3	179.5	-65.2	173.5	-151.3	0	0	111.5	Y206 N208 S209 P214	Y206-E211 WeakPolarHBondContact CE1-OE1 3.43Å; Y206-E211 WeakPolarHBondContact CE1-OE2 3.46Å; Y206-E211 PolarHBondContact OH-OE1 3.11Å; N208-E211 HydrophobicContact CB-CB 4.4Å; N208-E211 HydrophobicContact CB-CG 4.14Å; N208-E211 PolarHBondContact O-N 3.37Å; N208-E211 VanDerWaalsContact O-N 3.08Å; S209-E211 VanDerWaalsContact C-N 3.28Å; S209-E211 PolarHBondContact O-N 3.1Å; E211-P214 WeakPolarHBondContact O-CD 3.38Å
212	K	97.8	Very high	96.3	Very high	97 Å²	97	62.4 Å²	62.4	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-69.4	-38.1	-179.9	-178.6	167.2	175.8	176.3	0	112.9	F207 N208 S209 P214 M357	F207-K212 HydrophobicContact CE2-CB 4.21Å; F207-K212 HydrophobicContact CE2-CD 3.4Å; F207-K212 HydrophobicContact CE2-CG 4.42Å; F207-K212 HydrophobicContact CZ-CB 4.13Å; F207-K212 HydrophobicContact CZ-CD 3.58Å; F207-K212 HydrophobicContact CZ-CG 4.46Å; N208-K212 PolarHBondContact O-N 3.13Å; S209-K212 PolarHBondContact O-N 3Å; K212-P214 VanDerWaalsContact C-CD 3.47Å; K212-P214 WeakPolarHBondContact O-CD 3.47Å; K212-M357 PolarHBondContact NZ-O 3.23Å
213	W	97.9	Very high	96.8	Very high	35 Å²	35	52.3 Å²	52.3	13%	0.133	28%	0.279	C	S	.	.	S	Bend	trans	-125.9	70.5	-178	-60.3	-73	0	0	0	112.5	F207 S209 G215 K216 I244 I356 M357	F207-W213 HydrophobicContact CE1-CZ3 4.24Å; F207-W213 AromaticContact CZ-CH2 3.99Å; F207-W213 HydrophobicContact CZ-CH2 3.99Å; F207-W213 AromaticContact CZ-CZ3 3.73Å; F207-W213 HydrophobicContact CZ-CZ3 3.73Å; S209-W213 PolarHBondContact O-N 3.13Å; W213-G215 PolarHBondContact O-N 3.11Å; W213-K216 HydrophobicContact CB-CB 4.07Å; W213-K216 HydrophobicContact CB-CD 4.2Å; W213-K216 PolarHBondContact O-N 3.33Å; W213-K216 VanDerWaalsContact O-N 3.1Å; W213-I244 HydrophobicContact CB-CG1 4.21Å; W213-I244 HydrophobicContact CD2-CD1 3.9Å; W213-I244 HydrophobicContact CD2-CG1 4.01Å; W213-I244 HydrophobicContact CD2-CG2 4.35Å; W213-I244 HydrophobicContact CE3-CD1 3.79Å; W213-I244 HydrophobicContact CE3-CG1 4.39Å; W213-I244 HydrophobicContact CG-CD1 4.33Å; W213-I244 HydrophobicContact CG-CG1 3.95Å; W213-I244 HydrophobicContact CZ2-CG2 4.18Å; W213-I244 HydrophobicContact CZ3-CD1 4.14Å; W213-I356 WeakPolarHBondContact CH2-O 3.14Å; W213-M357 WeakPolarHBondContact CH2-O 3.01Å
214	P	96.4	Very high	96.9	Very high	89 Å²	89	51.1 Å²	51.1	58%	0.578	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	134.8	179.9	-24.2	34.5	0	0	0	111.9	E211 K212 K216	E211-P214 WeakPolarHBondContact O-CD 3.38Å; K212-P214 VanDerWaalsContact C-CD 3.47Å; K212-P214 WeakPolarHBondContact O-CD 3.47Å; P214-K216 PolarHBondContact O-N 2.73Å
215	G	95.6	Very high	96.8	Very high	71 Å²	71	51.6 Å²	51.6	73%	0.732	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	8.8	179.8	0	0	0	0	0	115.5	W213	W213-G215 PolarHBondContact O-N 3.11Å
216	K	97.9	Very high	96.8	Very high	47 Å²	47	45.9 Å²	45.9	20%	0.204	25%	0.245	C	C	.	.	S	Bend	trans	-115.6	-5.1	178	-59.1	178	-174.9	64.5	0	113.4	W213 P214 D240 S243 I244 G248	W213-K216 HydrophobicContact CB-CB 4.07Å; W213-K216 HydrophobicContact CB-CD 4.2Å; W213-K216 PolarHBondContact O-N 3.33Å; W213-K216 VanDerWaalsContact O-N 3.1Å; P214-K216 PolarHBondContact O-N 2.73Å; K216-D240 WeakPolarHBondContact O-CA 3.29Å; K216-S243 VanDerWaalsContact O-CB 3.31Å; K216-S243 WeakPolarHBondContact O-CB 3.25Å; K216-I244 HydrophobicContact CB-CG1 4.24Å; K216-G248 VanDerWaalsContact CE-CA 3.48Å
217	I	98.1	Very high	96.7	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.072	23%	0.228	C	C	.	.	S	Bend	trans	-107.7	123.4	174.7	-52.2	-54.2	0	0	0	108	S209 L210 D240 I244 P361	S209-I217 WeakPolarHBondContact O-CG1 3.11Å; L210-I217 HydrophobicContact CD2-CB 3.78Å; L210-I217 HydrophobicContact CD2-CG2 3.73Å; L210-I217 HydrophobicContact CG-CB 4.38Å; L210-I217 HydrophobicContact CG-CG2 4.15Å; I217-D240 WeakPolarHBondContact CA-OD1 3.47Å; I217-D240 HydrophobicContact CD1-CB 3.93Å; I217-I244 HydrophobicContact CD1-CD1 3.85Å; I217-I244 HydrophobicContact CD1-CG1 4.42Å; I217-P361 HydrophobicContact CD1-CG 3.87Å
218	H	97.5	Very high	96.6	Very high	26 Å²	26	40.6 Å²	40.6	12%	0.12	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-86	147.1	-178	-60.2	80.9	0	0	0	111.3	S239 D240 S243 Q253 R402	H218-S239 WeakPolarHBondContact ND1-CB 3.39Å; H218-D240 IonicContact CG-OD1 2.71Å; H218-D240 PolarHBondContact N-OD1 3.28Å; H218-D240 IonicContact ND1-OD1 3.97Å; H218-D240 PolarHBondContact ND1-OD1 3.28Å; H218-S243 PolarHBondContact CE1-OG 3.2Å; H218-Q253 PolarHBondContact NE2-N 3.01Å; H218-R402 PolarHBondContact O-NH1 3.07Å; H218-R402 PolarHBondContact O-NH2 2.7Å
219	E	96.8	Very high	96.6	Very high	79 Å²	79	39.6 Å²	39.6	37%	0.369	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-69.5	154.5	-178.3	-69.9	-74.4	114.6	0	0	113	L221 K428 Y435	E219-L221 PolarHBondContact O-N 2.84Å; E219-K428 VanDerWaalsContact OE2-CE 3.23Å; E219-K428 WeakPolarHBondContact OE2-CE 3.48Å; E219-K428 IonicContact OE2-NZ 2.98Å; E219-K428 PolarHBondContact OE2-NZ 3.3Å; E219-Y435 PolarHBondContact OE1-OH 2.86Å; E219-Y435 VanDerWaalsContact OE1-OH 3.07Å
220	P	96.7	Very high	96.5	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.065	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-60.4	127.9	175.6	-23.4	34.2	0	0	0	112.4	A423 Y435	P220-A423 HydrophobicContact CG-CB 4.12Å; P220-Y435 WeakPolarHBondContact CD-OH 3.38Å; P220-Y435 HydrophobicContact CG-CD1 4.26Å; P220-Y435 HydrophobicContact CG-CD2 4.26Å; P220-Y435 HydrophobicContact CG-CE1 3.87Å; P220-Y435 HydrophobicContact CG-CE2 3.87Å; P220-Y435 HydrophobicContact CG-CG 4.46Å
221	L	97.2	Very high	96.6	Very high	56 Å²	56	37.1 Å²	37.1	29%	0.293	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-90.1	168.5	171.6	-65.5	179.2	0	0	0	111.3	E219 F232 P256 S425 G427	E219-L221 PolarHBondContact O-N 2.84Å; L221-F232 HydrophobicContact CB-CD1 3.81Å; L221-F232 HydrophobicContact CB-CE1 3.7Å; L221-F232 HydrophobicContact CD1-CD1 4.37Å; L221-F232 HydrophobicContact CD1-CE1 4.2Å; L221-P256 HydrophobicContact CD1-CG 4.29Å; L221-S425 CarbonylContact O-C 3.46Å; L221-S425 VanDerWaalsContact O-CA 3.29Å; L221-S425 WeakPolarHBondContact O-CA 3.07Å; L221-G427 PolarHBondContact O-N 3.17Å; L221-G427 VanDerWaalsContact O-N 3.1Å
222	D	96.5	Very high	96.6	Very high	57 Å²	57	31.8 Å²	31.8	31%	0.305	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-109.5	118.8	174.8	-170.3	1.3	0	0	0	111.2	R176 G224 Y295	R176-D222 IonicContact NH1-OD1 3.04Å; R176-D222 PolarHBondContact NH1-OD1 3.46Å; D222-G224 PolarHBondContact O-N 3.49Å; D222-G224 PolarHBondContact OD1-N 3.47Å; D222-Y295 WeakPolarHBondContact O-CE1 3.2Å
223	Q	95.6	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.			trans	-73.6	-11	174.4	75.7	-173.4	77.3	0	0	112.9	F175 R176 C226 F232 Y295 S425	F175-Q223 PolarHBondContact O-NE2 3.26Å; R176-Q223 PolarHBondContact O-NE2 3.37Å; Q223-C226 PolarHBondContact NE2-O 3Å; Q223-C226 WeakPolarHBondContact O-CB 3.44Å; Q223-C226 PolarHBondContact O-N 3.04Å; Q223-F232 HydrophobicContact CB-CD2 3.74Å; Q223-F232 HydrophobicContact CB-CE1 4.44Å; Q223-F232 HydrophobicContact CB-CE2 3.56Å; Q223-F232 HydrophobicContact CB-CG 4.26Å; Q223-F232 HydrophobicContact CB-CZ 3.94Å; Q223-Y295 PolarHBondContact O-OH 3.34Å; Q223-S425 WeakPolarHBondContact CB-O 3.24Å; Q223-S425 VanDerWaalsContact CG-O 3.32Å; Q223-S425 WeakPolarHBondContact CG-O 3.38Å; Q223-S425 PolarHBondContact N-O 3.08Å; Q223-S425 PolarHBondContact OE1-O 3.32Å; Q223-S425 PolarHBondContact OE1-OG 3.48Å
224	G	93.9	Very high	96.7	Very high	11 Å²	11	25.7 Å²	25.7	11%	0.113	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-144.7	-175.8	0	0	0	0	0	112.3	R176 D222 C226	R176-G224 WeakPolarHBondContact CD-O 3.43Å; R176-G224 VanDerWaalsContact CZ-O 3.31Å; R176-G224 PolarHBondContact NE-O 3.27Å; R176-G224 PolarHBondContact NH1-O 2.87Å; D222-G224 PolarHBondContact O-N 3.49Å; D222-G224 PolarHBondContact OD1-N 3.47Å; G224-C226 PolarHBondContact O-N 2.88Å; G224-C226 VanDerWaalsContact O-N 3.13Å
225	N	92.5	Very high	96.8	Very high	64 Å²	64	21.6 Å²	21.6	34%	0.342	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	46.4	178.9	-66.6	-17.8	0	0	0	112.7	F175	F175-N225 HydrophobicContact CB-CB 4.16Å; F175-N225 HydrophobicContact CD2-CB 4.29Å; F175-N225 HydrophobicContact CG-CB 4.11Å
226	C	93.7	Very high	96.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-126.9	124.6	176.5	177.3	0	0	0	0	108.5	F175 Q223 G224 A228 C270 Y295 P298	F175-C226 CarbonylContact O-C 3.54Å; Q223-C226 PolarHBondContact NE2-O 3Å; Q223-C226 WeakPolarHBondContact O-CB 3.44Å; Q223-C226 PolarHBondContact O-N 3.04Å; G224-C226 PolarHBondContact O-N 2.88Å; G224-C226 VanDerWaalsContact O-N 3.13Å; C226-A228 HydrophobicContact CB-CB 4.4Å; C226-A228 PolarHBondContact O-N 3.17Å; C226-A228 WeakPolarHBondContact SG-CB 3.27Å; C226-C270 HydrophobicContact CB-CB 3.86Å; C226-C270 WeakPolarHBondContact CB-SG 3.07Å; C226-C270 WeakPolarHBondContact SG-CA 3.4Å; C226-C270 WeakPolarHBondContact SG-CB 3.35Å; C226-C270 CovalentContact SG-SG 2.03Å; C226-C270 PolarHBondContact SG-SG 3.21Å; C226-Y295 WeakPolarHBondContact CB-OH 3.3Å; C226-P298 HydrophobicContact CB-CG 3.94Å
227	A	95.3	Very high	97	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.025	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-75.5	68.8	-179	0	0	0	0	0	110.1	R174 F175 G178 C270 G272	R174-A227 WeakPolarHBondContact O-CB 3.35Å; F175-A227 WeakPolarHBondContact O-CA 3.37Å; F175-A227 PolarHBondContact O-N 2.8Å; G178-A227 VanDerWaalsContact CA-O 3.23Å; G178-A227 WeakPolarHBondContact CA-O 3.03Å; A227-C270 WeakPolarHBondContact CB-O 3.17Å; A227-C270 PolarHBondContact N-O 3.35Å; A227-G272 VanDerWaalsContact O-CA 3.26Å; A227-G272 WeakPolarHBondContact O-CA 3.14Å; A227-G272 PolarHBondContact O-N 3.39Å
228	A	96.3	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.			trans	-124.2	16.1	-167.2	0	0	0	0	0	114.4	C226 W230 A231 F232 I260	C226-A228 HydrophobicContact CB-CB 4.4Å; C226-A228 PolarHBondContact O-N 3.17Å; C226-A228 WeakPolarHBondContact SG-CB 3.27Å; A228-W230 PolarHBondContact O-N 3.29Å; A228-A231 WeakPolarHBondContact O-CB 3.27Å; A228-A231 PolarHBondContact O-N 2.66Å; A228-F232 HydrophobicContact CB-CD2 3.93Å; A228-F232 HydrophobicContact CB-CE2 4.01Å; A228-F232 WeakPolarHBondContact O-CD2 3.45Å; A228-F232 PolarHBondContact O-N 2.98Å; A228-F232 VanDerWaalsContact O-N 3.07Å; A228-I260 HydrophobicContact CB-CD1 3.56Å; A228-I260 HydrophobicContact CB-CG1 3.84Å
229	S	98.2	Very high	97.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-51.8	-34.6	178.2	56.1	0	0	0	0	113.9	G178 T179 A231 F232 S233 H399 S400	G178-S229 PolarHBondContact N-OG 2.83Å; T179-S229 PolarHBondContact OG1-OG 3.35Å; S229-A231 VanDerWaalsContact C-N 3.28Å; S229-A231 PolarHBondContact O-N 3.49Å; S229-F232 PolarHBondContact O-N 2.85Å; S229-S233 WeakPolarHBondContact O-CB 3.44Å; S229-S233 PolarHBondContact O-N 3.18Å; S229-S233 PolarHBondContact O-OG 3.18Å; S229-H399 WeakPolarHBondContact CB-CE1 3.23Å; S229-H399 WeakPolarHBondContact CB-ND1 3.43Å; S229-H399 PolarHBondContact OG-CE1 3.34Å; S229-H399 PolarHBondContact OG-ND1 2.79Å; S229-S400 PolarHBondContact O-OG 3.37Å; S229-S400 VanDerWaalsContact O-OG 3.11Å
230	W	98.3	Very high	97.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-54.9	-38.2	172.3	69.4	-89	0	0	0	113.8	G178 T179 A228 T234 L259 D263 Q267 G269 G273 V275 A278 S400	G178-W230 VanDerWaalsContact O-CD1 3.24Å; T179-W230 PolarHBondContact OG1-N 2.81Å; A228-W230 PolarHBondContact O-N 3.29Å; W230-T234 VanDerWaalsContact O-CB 3.3Å; W230-T234 WeakPolarHBondContact O-CB 3.4Å; W230-T234 PolarHBondContact O-OG1 3.01Å; W230-L259 HydrophobicContact CH2-CB 4.36Å; W230-L259 HydrophobicContact CZ3-CB 4.29Å; W230-D263 HydrophobicContact CH2-CB 4.38Å; W230-Q267 HydrophobicContact CH2-CB 4.29Å; W230-Q267 HydrophobicContact CH2-CG 4.24Å; W230-Q267 HydrophobicContact CZ2-CB 4.5Å; W230-Q267 HydrophobicContact CZ3-CG 4.47Å; W230-G269 PolarHBondContact NE1-O 3.38Å; W230-G273 WeakPolarHBondContact CB-O 3.11Å; W230-V275 HydrophobicContact CB-CG1 4.37Å; W230-A278 HydrophobicContact CE3-CB 3.69Å; W230-A278 HydrophobicContact CZ3-CB 3.76Å; W230-S400 VanDerWaalsContact CA-OG 3.29Å; W230-S400 WeakPolarHBondContact CA-OG 3.41Å; W230-S400 PolarHBondContact N-OG 3.1Å
231	A	98.3	Very high	97.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-83.8	-43	179.6	0	0	0	0	0	111.3	A228 S229 T234 A235 L259 I260	A228-A231 WeakPolarHBondContact O-CB 3.27Å; A228-A231 PolarHBondContact O-N 2.66Å; S229-A231 VanDerWaalsContact C-N 3.28Å; S229-A231 PolarHBondContact O-N 3.49Å; A231-T234 PolarHBondContact O-N 2.9Å; A231-A235 WeakPolarHBondContact O-CB 2.89Å; A231-A235 PolarHBondContact O-N 3.3Å; A231-L259 HydrophobicContact CB-CB 3.86Å; A231-L259 HydrophobicContact CB-CD1 4.21Å; A231-I260 HydrophobicContact CB-CD1 4.28Å; A231-I260 HydrophobicContact CB-CG1 3.66Å
232	F	98.6	Very high	97.2	Very high	8 Å²	8	8.9 Å²	8.9	4%	0.035	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-49.9	-180	-84.5	-96.5	0	0	0	112.3	L221 Q223 A228 S229 T234 A235 A236 P256 I260 Y295	L221-F232 HydrophobicContact CB-CD1 3.81Å; L221-F232 HydrophobicContact CB-CE1 3.7Å; L221-F232 HydrophobicContact CD1-CD1 4.37Å; L221-F232 HydrophobicContact CD1-CE1 4.2Å; Q223-F232 HydrophobicContact CB-CD2 3.74Å; Q223-F232 HydrophobicContact CB-CE1 4.44Å; Q223-F232 HydrophobicContact CB-CE2 3.56Å; Q223-F232 HydrophobicContact CB-CG 4.26Å; Q223-F232 HydrophobicContact CB-CZ 3.94Å; A228-F232 HydrophobicContact CB-CD2 3.93Å; A228-F232 HydrophobicContact CB-CE2 4.01Å; A228-F232 WeakPolarHBondContact O-CD2 3.45Å; A228-F232 PolarHBondContact O-N 2.98Å; A228-F232 VanDerWaalsContact O-N 3.07Å; S229-F232 PolarHBondContact O-N 2.85Å; F232-T234 PolarHBondContact O-N 2.94Å; F232-A235 PolarHBondContact O-N 3.44Å; F232-A236 VanDerWaalsContact O-CB 3.22Å; F232-A236 WeakPolarHBondContact O-CB 3.44Å; F232-A236 PolarHBondContact O-N 3.3Å; F232-P256 HydrophobicContact CD1-CB 4.04Å; F232-P256 HydrophobicContact CD1-CG 3.9Å; F232-P256 HydrophobicContact CD2-CB 3.87Å; F232-P256 HydrophobicContact CD2-CG 4.42Å; F232-P256 HydrophobicContact CE1-CB 4.12Å; F232-P256 HydrophobicContact CE1-CG 3.63Å; F232-P256 HydrophobicContact CE2-CB 3.96Å; F232-P256 HydrophobicContact CE2-CG 4.19Å; F232-P256 HydrophobicContact CG-CB 3.92Å; F232-P256 HydrophobicContact CG-CG 4.3Å; F232-P256 HydrophobicContact CZ-CB 4.08Å; F232-P256 HydrophobicContact CZ-CG 3.78Å; F232-I260 HydrophobicContact CD2-CD1 4.34Å; F232-I260 HydrophobicContact CE2-CD1 3.8Å; F232-Y295 HydrophobicContact CE1-CD1 4.44Å; F232-Y295 HydrophobicContact CE1-CG 4.46Å; F232-Y295 HydrophobicContact CE2-CD2 4.1Å; F232-Y295 HydrophobicContact CE2-CE1 4.44Å; F232-Y295 AromaticContact CE2-CE2 3.96Å; F232-Y295 HydrophobicContact CE2-CE2 3.96Å; F232-Y295 HydrophobicContact CE2-CG 4.46Å; F232-Y295 AromaticContact CZ-CD1 3.67Å; F232-Y295 HydrophobicContact CZ-CD1 3.67Å; F232-Y295 AromaticContact CZ-CD2 3.72Å; F232-Y295 HydrophobicContact CZ-CD2 3.72Å; F232-Y295 AromaticContact CZ-CE1 3.79Å; F232-Y295 HydrophobicContact CZ-CE1 3.79Å; F232-Y295 AromaticContact CZ-CE2 3.89Å; F232-Y295 HydrophobicContact CZ-CE2 3.89Å; F232-Y295 AromaticContact CZ-CG 3.63Å; F232-Y295 HydrophobicContact CZ-CG 3.63Å; F232-Y295 AromaticContact CZ-CZ 3.91Å
233	S	98.6	Very high	97.3	Very high	5 Å²	5	6.1 Å²	6.1	4%	0.035	4%	0.04	C	C	.	.	H	α-helix	trans	-66.8	-37	179.3	61.6	0	0	0	0	112	S229 V237 Q363 S400	S229-S233 WeakPolarHBondContact O-CB 3.44Å; S229-S233 PolarHBondContact O-N 3.18Å; S229-S233 PolarHBondContact O-OG 3.18Å; S233-V237 WeakPolarHBondContact O-CB 3.26Å; S233-V237 WeakPolarHBondContact O-CG2 3.07Å; S233-V237 PolarHBondContact O-N 2.04Å; S233-Q363 PolarHBondContact OG-NE2 3.01Å; S233-S400 WeakPolarHBondContact OG-CB 3.22Å; S233-S400 PolarHBondContact OG-OG 2.94Å
234	T	98.6	Very high	97.4	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.5	-50.8	174.8	-61	0	0	0	0	111.5	W230 A231 F232 A236 A238 L259 A278 W279 Q363	W230-T234 VanDerWaalsContact O-CB 3.3Å; W230-T234 WeakPolarHBondContact O-CB 3.4Å; W230-T234 PolarHBondContact O-OG1 3.01Å; A231-T234 PolarHBondContact O-N 2.9Å; F232-T234 PolarHBondContact O-N 2.94Å; T234-A236 PolarHBondContact O-N 2.91Å; T234-A238 WeakPolarHBondContact O-CB 3.44Å; T234-A238 PolarHBondContact O-N 2.83Å; T234-L259 HydrophobicContact CG2-CD1 4.09Å; T234-A278 HydrophobicContact CG2-CB 3.92Å; T234-W279 HydrophobicContact CG2-CD2 3.89Å; T234-W279 HydrophobicContact CG2-CE3 4.04Å; T234-W279 HydrophobicContact CG2-CG 4.43Å; T234-W279 HydrophobicContact CG2-CH2 4.1Å; T234-W279 HydrophobicContact CG2-CZ2 3.99Å; T234-W279 HydrophobicContact CG2-CZ3 4.13Å; T234-W279 WeakPolarHBondContact O-CH2 3.4Å; T234-Q363 PolarHBondContact OG1-NE2 3.41Å
235	A	98.7	Very high	97.5	Very high	3 Å²	3	8.3 Å²	8.3	3%	0.025	5%	0.048	C	C	.	.	H	α-helix	trans	-62.8	-42.7	179.3	0	0	0	0	0	111.4	A231 F232 A238 S239 L254 P256 L259	A231-A235 WeakPolarHBondContact O-CB 2.89Å; A231-A235 PolarHBondContact O-N 3.3Å; F232-A235 PolarHBondContact O-N 3.44Å; A235-A238 PolarHBondContact O-N 3.22Å; A235-S239 WeakPolarHBondContact O-CB 3.29Å; A235-S239 PolarHBondContact O-N 3.33Å; A235-S239 PolarHBondContact O-OG 2.81Å; A235-L254 HydrophobicContact CB-CB 4.2Å; A235-P256 HydrophobicContact CB-CB 4.37Å; A235-L259 HydrophobicContact CB-CD1 4.34Å
236	A	98.6	Very high	97.6	Very high	26 Å²	26	5.2 Å²	5.2	22%	0.215	3%	0.031	C	C	.	.	H	α-helix	trans	-62.1	-49.2	178.8	0	0	0	0	0	112.3	F232 T234 A238 S239 D240	F232-A236 VanDerWaalsContact O-CB 3.22Å; F232-A236 WeakPolarHBondContact O-CB 3.44Å; F232-A236 PolarHBondContact O-N 3.3Å; T234-A236 PolarHBondContact O-N 2.91Å; A236-A238 PolarHBondContact O-N 3.02Å; A236-S239 WeakPolarHBondContact O-CB 3.34Å; A236-S239 PolarHBondContact O-N 3.28Å; A236-D240 VanDerWaalsContact O-CG 3.31Å; A236-D240 PolarHBondContact O-N 3.37Å; A236-D240 VanDerWaalsContact O-N 3.13Å
237	V	98.8	Very high	97.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.3	-47.7	176.7	169.9	0	0	0	0	110.6	S233 S239 D240 R241 W279 Q363 R402 V454	S233-V237 WeakPolarHBondContact O-CB 3.26Å; S233-V237 WeakPolarHBondContact O-CG2 3.07Å; S233-V237 PolarHBondContact O-N 2.04Å; V237-S239 VanDerWaalsContact C-N 3.32Å; V237-S239 PolarHBondContact O-N 3.01Å; V237-D240 PolarHBondContact O-N 3.1Å; V237-R241 HydrophobicContact CG1-CG 4.06Å; V237-R241 WeakPolarHBondContact O-CB 3.49Å; V237-R241 WeakPolarHBondContact O-CG 3.48Å; V237-R241 PolarHBondContact O-N 3.37Å; V237-W279 HydrophobicContact CB-CH2 3.99Å; V237-W279 HydrophobicContact CB-CZ2 4.06Å; V237-W279 HydrophobicContact CG1-CH2 3.77Å; V237-W279 HydrophobicContact CG1-CZ2 3.9Å; V237-Q363 HydrophobicContact CG2-CB 4.03Å; V237-R402 HydrophobicContact CG2-CB 3.95Å; V237-R402 HydrophobicContact CG2-CG 3.6Å; V237-V454 HydrophobicContact CG1-CG1 4.21Å
238	A	98.6	Very high	97.5	Very high	3 Å²	3	12.2 Å²	12.2	3%	0.025	7%	0.069	C	C	.	.	H	α-helix	trans	-61	-40	179.4	0	0	0	0	0	113.1	T234 A235 A236 R241 I242 L254 W279 L282	T234-A238 WeakPolarHBondContact O-CB 3.44Å; T234-A238 PolarHBondContact O-N 2.83Å; A235-A238 PolarHBondContact O-N 3.22Å; A236-A238 PolarHBondContact O-N 3.02Å; A238-R241 PolarHBondContact O-N 3.25Å; A238-I242 WeakPolarHBondContact O-CB 3.47Å; A238-I242 WeakPolarHBondContact O-CD1 3.48Å; A238-I242 VanDerWaalsContact O-CG1 3.23Å; A238-I242 WeakPolarHBondContact O-CG1 3.49Å; A238-I242 PolarHBondContact O-N 3.02Å; A238-L254 HydrophobicContact CB-CD1 3.61Å; A238-W279 HydrophobicContact CB-CH2 4Å; A238-W279 HydrophobicContact CB-CZ3 3.9Å; A238-L282 HydrophobicContact CB-CD2 3.41Å; A238-L282 VanDerWaalsContact CB-CD2 3.41Å
239	S	98.6	Very high	97.3	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-57.9	-49.5	176.5	-57.5	0	0	0	0	111.1	H218 A235 A236 V237 S243 P252 L254	H218-S239 WeakPolarHBondContact ND1-CB 3.39Å; A235-S239 WeakPolarHBondContact O-CB 3.29Å; A235-S239 PolarHBondContact O-N 3.33Å; A235-S239 PolarHBondContact O-OG 2.81Å; A236-S239 WeakPolarHBondContact O-CB 3.34Å; A236-S239 PolarHBondContact O-N 3.28Å; V237-S239 VanDerWaalsContact C-N 3.32Å; V237-S239 PolarHBondContact O-N 3.01Å; S239-S243 WeakPolarHBondContact O-CB 3.32Å; S239-S243 PolarHBondContact O-N 2.99Å; S239-S243 PolarHBondContact O-OG 2.87Å; S239-P252 WeakPolarHBondContact CA-O 3.42Å; S239-P252 WeakPolarHBondContact CB-O 3.3Å; S239-P252 PolarHBondContact OG-O 3.08Å; S239-L254 WeakPolarHBondContact OG-CB 3.33Å; S239-L254 WeakPolarHBondContact OG-CG 3.15Å; S239-L254 PolarHBondContact OG-N 3.44Å
240	D	98.6	Very high	97.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67	-44.3	-179.2	-60.9	-12.6	0	0	0	111.6	K216 I217 H218 A236 V237 I242 S243 I244 P361 R402	K216-D240 WeakPolarHBondContact O-CA 3.29Å; I217-D240 WeakPolarHBondContact CA-OD1 3.47Å; I217-D240 HydrophobicContact CD1-CB 3.93Å; H218-D240 IonicContact CG-OD1 2.71Å; H218-D240 PolarHBondContact N-OD1 3.28Å; H218-D240 IonicContact ND1-OD1 3.97Å; H218-D240 PolarHBondContact ND1-OD1 3.28Å; A236-D240 VanDerWaalsContact O-CG 3.31Å; A236-D240 PolarHBondContact O-N 3.37Å; A236-D240 VanDerWaalsContact O-N 3.13Å; V237-D240 PolarHBondContact O-N 3.1Å; D240-I242 PolarHBondContact O-N 2.74Å; D240-S243 WeakPolarHBondContact O-CA 3.5Å; D240-S243 WeakPolarHBondContact O-CB 3.28Å; D240-S243 PolarHBondContact O-N 3.33Å; D240-I244 VanDerWaalsContact O-CG1 3.29Å; D240-I244 WeakPolarHBondContact O-CG1 3.22Å; D240-I244 PolarHBondContact O-N 3.26Å; D240-P361 HydrophobicContact CB-CG 4.24Å; D240-R402 IonicContact OD1-NH1 2.66Å; D240-R402 PolarHBondContact OD1-NH1 2.86Å; D240-R402 VanDerWaalsContact OD2-CD 3.31Å; D240-R402 WeakPolarHBondContact OD2-CD 3.22Å; D240-R402 IonicContact OD2-CZ 3.34Å; D240-R402 VanDerWaalsContact OD2-CZ 3.3Å; D240-R402 IonicContact OD2-NE 3.33Å; D240-R402 IonicContact OD2-NH1 3.79Å; D240-R402 PolarHBondContact OD2-NH1 2.8Å
241	R	98.1	Very high	97	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-44.5	179.5	-67.9	-63.7	-173.1	131.4	3.8	111.7	V237 A238 S243 I244 Q245 E355 N359 G360 P361 V362 V454	V237-R241 HydrophobicContact CG1-CG 4.06Å; V237-R241 WeakPolarHBondContact O-CB 3.49Å; V237-R241 WeakPolarHBondContact O-CG 3.48Å; V237-R241 PolarHBondContact O-N 3.37Å; A238-R241 PolarHBondContact O-N 3.25Å; R241-S243 VanDerWaalsContact C-N 3.25Å; R241-S243 PolarHBondContact O-N 2.81Å; R241-I244 PolarHBondContact O-N 2.91Å; R241-Q245 VanDerWaalsContact O-CB 3.22Å; R241-Q245 WeakPolarHBondContact O-CB 3.22Å; R241-Q245 WeakPolarHBondContact O-CG 3.22Å; R241-Q245 PolarHBondContact O-N 3.41Å; R241-E355 IonicContact CZ-OE1 3.18Å; R241-E355 IonicContact NH1-OE1 2.7Å; R241-E355 PolarHBondContact NH1-OE1 3.28Å; R241-E355 IonicContact NH2-OE1 2.61Å; R241-E355 PolarHBondContact NH2-OE1 3.2Å; R241-N359 WeakPolarHBondContact CD-O 3.31Å; R241-N359 PolarHBondContact NE-O 3.28Å; R241-N359 VanDerWaalsContact NH1-C 3.33Å; R241-N359 PolarHBondContact NH1-O 3.46Å; R241-G360 PolarHBondContact NE-O 2.65Å; R241-G360 PolarHBondContact NH2-O 3.08Å; R241-P361 VanDerWaalsContact CZ-O 3.25Å; R241-P361 PolarHBondContact NE-O 2.8Å; R241-P361 PolarHBondContact NH2-O 3.13Å; R241-V362 VanDerWaalsContact NH2-CG1 3.26Å; R241-V454 HydrophobicContact CB-CG1 4.43Å; R241-V454 HydrophobicContact CG-CG1 3.99Å; R241-V454 PolarHBondContact NH1-O 3.38Å
242	I	97.6	Very high	96.9	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-62.4	-38.6	175.2	-68.5	165.9	0	0	0	110.4	A238 D240 S246 P252 L254 Y337 I458	A238-I242 WeakPolarHBondContact O-CB 3.47Å; A238-I242 WeakPolarHBondContact O-CD1 3.48Å; A238-I242 VanDerWaalsContact O-CG1 3.23Å; A238-I242 WeakPolarHBondContact O-CG1 3.49Å; A238-I242 PolarHBondContact O-N 3.02Å; D240-I242 PolarHBondContact O-N 2.74Å; I242-S246 WeakPolarHBondContact O-CB 3.41Å; I242-S246 PolarHBondContact O-N 2.79Å; I242-S246 PolarHBondContact O-OG 2.97Å; I242-P252 HydrophobicContact CB-CG 4.24Å; I242-P252 HydrophobicContact CG2-CG 3.68Å; I242-L254 HydrophobicContact CD1-CD1 4.11Å; I242-Y337 HydrophobicContact CD1-CD1 4.28Å; I242-Y337 HydrophobicContact CG2-CD1 4.44Å; I242-I458 HydrophobicContact CG2-CD1 4.47Å; I242-I458 HydrophobicContact CG2-CG1 4.49Å
243	S	97.9	Very high	96.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.9	-44.5	-179.9	-55.9	0	0	0	0	113	K216 H218 S239 D240 R241 S246 G248 M250 T251	K216-S243 VanDerWaalsContact O-CB 3.31Å; K216-S243 WeakPolarHBondContact O-CB 3.25Å; H218-S243 PolarHBondContact CE1-OG 3.2Å; S239-S243 WeakPolarHBondContact O-CB 3.32Å; S239-S243 PolarHBondContact O-N 2.99Å; S239-S243 PolarHBondContact O-OG 2.87Å; D240-S243 WeakPolarHBondContact O-CA 3.5Å; D240-S243 WeakPolarHBondContact O-CB 3.28Å; D240-S243 PolarHBondContact O-N 3.33Å; R241-S243 VanDerWaalsContact C-N 3.25Å; R241-S243 PolarHBondContact O-N 2.81Å; S243-S246 PolarHBondContact O-OG 3.12Å; S243-G248 PolarHBondContact O-N 3.46Å; S243-M250 VanDerWaalsContact CA-O 3.28Å; S243-M250 WeakPolarHBondContact CA-O 3.38Å; S243-T251 WeakPolarHBondContact OG-CA 3.4Å
244	I	97.3	Very high	96.9	Very high	18 Å²	18	20.1 Å²	20.1	9%	0.092	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-51.3	177.1	-67.7	167.2	0	0	0	110.3	W213 K216 I217 D240 R241 S246 M247	W213-I244 HydrophobicContact CB-CG1 4.21Å; W213-I244 HydrophobicContact CD2-CD1 3.9Å; W213-I244 HydrophobicContact CD2-CG1 4.01Å; W213-I244 HydrophobicContact CD2-CG2 4.35Å; W213-I244 HydrophobicContact CE3-CD1 3.79Å; W213-I244 HydrophobicContact CE3-CG1 4.39Å; W213-I244 HydrophobicContact CG-CD1 4.33Å; W213-I244 HydrophobicContact CG-CG1 3.95Å; W213-I244 HydrophobicContact CZ2-CG2 4.18Å; W213-I244 HydrophobicContact CZ3-CD1 4.14Å; K216-I244 HydrophobicContact CB-CG1 4.24Å; I217-I244 HydrophobicContact CD1-CD1 3.85Å; I217-I244 HydrophobicContact CD1-CG1 4.42Å; D240-I244 VanDerWaalsContact O-CG1 3.29Å; D240-I244 WeakPolarHBondContact O-CG1 3.22Å; D240-I244 PolarHBondContact O-N 3.26Å; R241-I244 PolarHBondContact O-N 2.91Å; I244-S246 VanDerWaalsContact C-N 3.3Å; I244-S246 PolarHBondContact O-N 3.29Å; I244-M247 WeakPolarHBondContact O-CA 3.28Å; I244-M247 PolarHBondContact O-N 3.46Å
245	Q	96.1	Very high	96.8	Very high	38 Å²	38	20.1 Å²	20.1	18%	0.178	11%	0.11	C	C	.	.	H	α-helix	trans	-74.7	-21	-172.7	-65.8	173.5	-5.5	0	0	113	R241 M247 I458	R241-Q245 VanDerWaalsContact O-CB 3.22Å; R241-Q245 WeakPolarHBondContact O-CB 3.22Å; R241-Q245 WeakPolarHBondContact O-CG 3.22Å; R241-Q245 PolarHBondContact O-N 3.41Å; Q245-M247 PolarHBondContact O-N 3Å; Q245-I458 HydrophobicContact CB-CD1 3.53Å
246	S	95.3	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	5.9	168.2	69.1	0	0	0	0	113.1	I242 S243 I244 G248 H249 M250	I242-S246 WeakPolarHBondContact O-CB 3.41Å; I242-S246 PolarHBondContact O-N 2.79Å; I242-S246 PolarHBondContact O-OG 2.97Å; S243-S246 PolarHBondContact O-OG 3.12Å; I244-S246 VanDerWaalsContact C-N 3.3Å; I244-S246 PolarHBondContact O-N 3.29Å; S246-G248 PolarHBondContact O-N 3.44Å; S246-G248 VanDerWaalsContact O-N 3.09Å; S246-H249 VanDerWaalsContact O-CB 3.29Å; S246-H249 WeakPolarHBondContact O-CB 3.48Å; S246-H249 PolarHBondContact O-CD2 2.97Å; S246-H249 VanDerWaalsContact O-CG 3.29Å; S246-H249 PolarHBondContact O-N 3.11Å; S246-M250 PolarHBondContact OG-N 3.05Å; S246-M250 VanDerWaalsContact OG-N 3.16Å; S246-M250 PolarHBondContact OG-O 2.89Å
247	M	93.6	Very high	96.7	Very high	135 Å²	135	19.4 Å²	19.4	67%	0.665	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	26.1	-174.2	-57.7	-179.8	-72.1	0	0	113	I244 Q245	I244-M247 WeakPolarHBondContact O-CA 3.28Å; I244-M247 PolarHBondContact O-N 3.46Å; Q245-M247 PolarHBondContact O-N 3Å
248	G	93.7	Very high	96.6	Very high	14 Å²	14	19.5 Å²	19.5	14%	0.144	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	6.8	-176.8	0	0	0	0	0	115.7	K216 S243 S246 M250	K216-G248 VanDerWaalsContact CE-CA 3.48Å; S243-G248 PolarHBondContact O-N 3.46Å; S246-G248 PolarHBondContact O-N 3.44Å; S246-G248 VanDerWaalsContact O-N 3.09Å; G248-M250 PolarHBondContact O-N 2.8Å
249	H	91.9	Very high	96.6	Very high	50 Å²	50	19.4 Å²	19.4	23%	0.231	10%	0.101	C	C	.	.	S	Bend	trans	-62.6	-29.1	170	-66.8	-42.4	0	0	0	112	S246 M463 H467	S246-H249 VanDerWaalsContact O-CB 3.29Å; S246-H249 WeakPolarHBondContact O-CB 3.48Å; S246-H249 PolarHBondContact O-CD2 2.97Å; S246-H249 VanDerWaalsContact O-CG 3.29Å; S246-H249 PolarHBondContact O-N 3.11Å; H249-M463 HydrophobicContact CB-CB 4.28Å; H249-M463 HydrophobicContact CB-CG 4.42Å; H249-H467 AromaticContact CE1-CD2 3.94Å; H249-H467 AromaticContact CE1-CE1 3.72Å; H249-H467 AromaticContact CE1-NE2 2.98Å; H249-H467 PolarHBondContact CE1-NE2 2.81Å; H249-H467 AromaticContact CG-NE2 3.73Å; H249-H467 AromaticContact ND1-CD2 3.57Å; H249-H467 AromaticContact ND1-CE1 3.37Å; H249-H467 PolarHBondContact ND1-CE1 2.88Å; H249-H467 AromaticContact ND1-NE2 2.81Å; H249-H467 PolarHBondContact ND1-NE2 3.04Å; H249-H467 AromaticContact NE2-NE2 3.9Å
250	M	93.2	Very high	96.4	Very high	12 Å²	12	19.5 Å²	19.5	6%	0.059	10%	0.102	C	C	.	.			trans	-128.3	135.7	175.6	-57.5	169.8	65.8	0	0	107.2	S243 S246 G248 P252 Y337 D462 H466	S243-M250 VanDerWaalsContact CA-O 3.28Å; S243-M250 WeakPolarHBondContact CA-O 3.38Å; S246-M250 PolarHBondContact OG-N 3.05Å; S246-M250 VanDerWaalsContact OG-N 3.16Å; S246-M250 PolarHBondContact OG-O 2.89Å; G248-M250 PolarHBondContact O-N 2.8Å; M250-P252 VanDerWaalsContact C-CD 3.46Å; M250-Y337 HydrophobicContact CE-CD1 4.03Å; M250-Y337 HydrophobicContact CE-CE1 3.37Å; M250-D462 HydrophobicContact SD-CB 4.2Å; M250-H466 WeakPolarHBondContact CE-CD2 3.45Å; M250-H466 WeakPolarHBondContact CE-NE2 3.45Å; M250-H466 HydrophobicContact CG-CB 3.97Å
251	T	96.1	Very high	96.3	Very high	52 Å²	52	19.8 Å²	19.8	32%	0.319	10%	0.103	S	C	.	.			trans	-132.8	62	173.6	54.9	0	0	0	0	110	S243 R470	S243-T251 WeakPolarHBondContact OG-CA 3.4Å; T251-R470 PolarHBondContact OG1-NH2 3.27Å
252	P	96.7	Very high	96.1	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.039	11%	0.107	C	C	.	.			trans	-81.5	123.5	-173.5	33.7	-34.1	0	0	0	110.8	S239 I242 M250 L254 T289 Y337	S239-P252 WeakPolarHBondContact CA-O 3.42Å; S239-P252 WeakPolarHBondContact CB-O 3.3Å; S239-P252 PolarHBondContact OG-O 3.08Å; I242-P252 HydrophobicContact CB-CG 4.24Å; I242-P252 HydrophobicContact CG2-CG 3.68Å; M250-P252 VanDerWaalsContact C-CD 3.46Å; P252-L254 HydrophobicContact CB-CD2 4.05Å; P252-L254 HydrophobicContact CG-CD2 4.32Å; P252-L254 PolarHBondContact O-N 2.93Å; P252-T289 HydrophobicContact CB-CG2 3.91Å; P252-Y337 HydrophobicContact CB-CD1 3.99Å; P252-Y337 HydrophobicContact CB-CD2 4.49Å; P252-Y337 HydrophobicContact CB-CE1 3.5Å; P252-Y337 VanDerWaalsContact CB-CE1 3.5Å; P252-Y337 HydrophobicContact CB-CE2 4.11Å; P252-Y337 HydrophobicContact CB-CG 4.45Å; P252-Y337 HydrophobicContact CG-CD1 3.71Å; P252-Y337 HydrophobicContact CG-CE1 3.48Å; P252-Y337 VanDerWaalsContact CG-CE1 3.48Å; P252-Y337 HydrophobicContact CG-CG 4.46Å
253	Q	98	Very high	96	Very high	57 Å²	57	20.4 Å²	20.4	27%	0.266	11%	0.107	S	C	.	.			trans	-81.6	107.5	163.3	-169.4	164.5	6.8	0	0	108.4	H218 T289 D290	H218-Q253 PolarHBondContact NE2-N 3.01Å; Q253-T289 CarbonylContact O-C 3.54Å; Q253-T289 WeakPolarHBondContact O-CA 3.19Å; Q253-T289 VanDerWaalsContact O-CB 3.28Å; Q253-T289 WeakPolarHBondContact O-CB 3.26Å; Q253-D290 HydrophobicContact CG-CB 4.36Å; Q253-D290 PolarHBondContact O-N 3.32Å
254	L	98.4	Very high	95.7	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-75.6	145.7	-175.9	-60	-170.6	0	0	0	112.3	A235 A238 S239 I242 P252 P256 L282 V287 Y337	A235-L254 HydrophobicContact CB-CB 4.2Å; A238-L254 HydrophobicContact CB-CD1 3.61Å; S239-L254 WeakPolarHBondContact OG-CB 3.33Å; S239-L254 WeakPolarHBondContact OG-CG 3.15Å; S239-L254 PolarHBondContact OG-N 3.44Å; I242-L254 HydrophobicContact CD1-CD1 4.11Å; P252-L254 HydrophobicContact CB-CD2 4.05Å; P252-L254 HydrophobicContact CG-CD2 4.32Å; P252-L254 PolarHBondContact O-N 2.93Å; L254-P256 WeakPolarHBondContact O-CD 3.32Å; L254-L282 HydrophobicContact CD1-CD1 4.24Å; L254-V287 HydrophobicContact CB-CG2 3.91Å; L254-V287 HydrophobicContact CD1-CG2 3.93Å; L254-V287 HydrophobicContact CD2-CG2 4.29Å; L254-V287 HydrophobicContact CG-CG2 4.27Å; L254-Y337 HydrophobicContact CD2-CD1 4.34Å; L254-Y337 HydrophobicContact CD2-CD2 3.72Å; L254-Y337 HydrophobicContact CD2-CG 3.61Å
255	S	98.1	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.			trans	-76.3	113.7	-176.7	172.6	0	0	0	0	112.2	Q257 N258 V288 T289 Y293	S255-Q257 VanDerWaalsContact C-N 3.25Å; S255-Q257 PolarHBondContact O-N 3.27Å; S255-Q257 WeakPolarHBondContact OG-CB 3.42Å; S255-Q257 PolarHBondContact OG-N 2.9Å; S255-N258 PolarHBondContact O-N 3.08Å; S255-N258 PolarHBondContact OG-N 3.41Å; S255-V288 WeakPolarHBondContact CB-O 3.43Å; S255-V288 PolarHBondContact N-O 3.3Å; S255-T289 WeakPolarHBondContact CB-O 3.47Å; S255-Y293 WeakPolarHBondContact CB-O 3.04Å; S255-Y293 PolarHBondContact OG-O 2.72Å
256	P	97.8	Very high	94.9	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-31.5	166.9	28.2	-33.4	0	0	0	111.2	L221 F232 A235 L254 N258 L259 I260	L221-P256 HydrophobicContact CD1-CG 4.29Å; F232-P256 HydrophobicContact CD1-CB 4.04Å; F232-P256 HydrophobicContact CD1-CG 3.9Å; F232-P256 HydrophobicContact CD2-CB 3.87Å; F232-P256 HydrophobicContact CD2-CG 4.42Å; F232-P256 HydrophobicContact CE1-CB 4.12Å; F232-P256 HydrophobicContact CE1-CG 3.63Å; F232-P256 HydrophobicContact CE2-CB 3.96Å; F232-P256 HydrophobicContact CE2-CG 4.19Å; F232-P256 HydrophobicContact CG-CB 3.92Å; F232-P256 HydrophobicContact CG-CG 4.3Å; F232-P256 HydrophobicContact CZ-CB 4.08Å; F232-P256 HydrophobicContact CZ-CG 3.78Å; A235-P256 HydrophobicContact CB-CB 4.37Å; L254-P256 WeakPolarHBondContact O-CD 3.32Å; P256-N258 VanDerWaalsContact C-N 3.28Å; P256-N258 PolarHBondContact O-N 3.19Å; P256-L259 WeakPolarHBondContact O-CB 3.49Å; P256-L259 PolarHBondContact O-N 2.97Å; P256-L259 VanDerWaalsContact O-N 3.12Å; P256-I260 HydrophobicContact CB-CD1 4.4Å; P256-I260 WeakPolarHBondContact O-CD1 3.48Å; P256-I260 VanDerWaalsContact O-CG1 3.22Å; P256-I260 WeakPolarHBondContact O-CG1 3.38Å; P256-I260 PolarHBondContact O-N 2.97Å
257	Q	96.8	Very high	94.8	Very high	13 Å²	13	38 Å²	38	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-39.2	176.9	-171.5	62.7	57.6	0	0	112.3	S255 L259 I260 S261 Y293 Y295 Q296	S255-Q257 VanDerWaalsContact C-N 3.25Å; S255-Q257 PolarHBondContact O-N 3.27Å; S255-Q257 WeakPolarHBondContact OG-CB 3.42Å; S255-Q257 PolarHBondContact OG-N 2.9Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 2.91Å; Q257-I260 PolarHBondContact O-N 3.25Å; Q257-S261 PolarHBondContact NE2-OG 3.11Å; Q257-S261 WeakPolarHBondContact O-CB 3.39Å; Q257-S261 PolarHBondContact O-N 3.46Å; Q257-Y293 HydrophobicContact CB-CD2 4.05Å; Q257-Y293 HydrophobicContact CB-CE2 4.2Å; Q257-Y293 HydrophobicContact CB-CG 4.38Å; Q257-Y293 HydrophobicContact CG-CD2 3.55Å; Q257-Y293 HydrophobicContact CG-CE1 4.38Å; Q257-Y293 HydrophobicContact CG-CE2 3.23Å; Q257-Y293 HydrophobicContact CG-CG 4.25Å; Q257-Y295 HydrophobicContact CB-CD2 4.44Å; Q257-Q296 VanDerWaalsContact OE1-N 3.14Å
258	N	97.3	Very high	94.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.011	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-41.7	177.6	-163.9	168.3	0	0	0	110.9	S255 P256 C262 V287 V288 Y293 M310	S255-N258 PolarHBondContact O-N 3.08Å; S255-N258 PolarHBondContact OG-N 3.41Å; P256-N258 VanDerWaalsContact C-N 3.28Å; P256-N258 PolarHBondContact O-N 3.19Å; N258-C262 PolarHBondContact ND2-SG 2.91Å; N258-C262 WeakPolarHBondContact O-CB 3.47Å; N258-C262 PolarHBondContact O-N 2.81Å; N258-V287 HydrophobicContact CB-CB 4.07Å; N258-V287 HydrophobicContact CB-CG1 4.14Å; N258-V287 WeakPolarHBondContact OD1-CA 3.06Å; N258-V288 PolarHBondContact OD1-N 3.26Å; N258-Y293 HydrophobicContact CB-CD1 3.82Å; N258-Y293 HydrophobicContact CB-CE1 4.4Å; N258-M310 PolarHBondContact ND2-O 2.92Å; N258-M310 VanDerWaalsContact ND2-O 3.08Å
259	L	97.3	Very high	94.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-49.9	173.7	-69.8	173.6	0	0	0	110.9	W230 A231 T234 A235 P256 Q257 S261 C262 D263 Y281 V287	W230-L259 HydrophobicContact CH2-CB 4.36Å; W230-L259 HydrophobicContact CZ3-CB 4.29Å; A231-L259 HydrophobicContact CB-CB 3.86Å; A231-L259 HydrophobicContact CB-CD1 4.21Å; T234-L259 HydrophobicContact CG2-CD1 4.09Å; A235-L259 HydrophobicContact CB-CD1 4.34Å; P256-L259 WeakPolarHBondContact O-CB 3.49Å; P256-L259 PolarHBondContact O-N 2.97Å; P256-L259 VanDerWaalsContact O-N 3.12Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 2.91Å; L259-S261 VanDerWaalsContact C-N 3.33Å; L259-S261 PolarHBondContact O-N 2.91Å; L259-C262 PolarHBondContact O-N 2.83Å; L259-D263 VanDerWaalsContact O-CB 3.31Å; L259-D263 WeakPolarHBondContact O-CB 3.08Å; L259-D263 PolarHBondContact O-N 3.44Å; L259-Y281 HydrophobicContact CD2-CD1 3.68Å; L259-Y281 HydrophobicContact CD2-CE1 4.36Å; L259-Y281 HydrophobicContact CD2-CG 4.3Å; L259-V287 HydrophobicContact CD2-CG1 3.73Å; L259-V287 HydrophobicContact CG-CG1 3.97Å
260	I	95.9	Very high	94.7	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-56.9	-45.5	-177.2	-67.4	162.1	0	0	0	111.5	A228 A231 F232 P256 Q257 Y295 V305	A228-I260 HydrophobicContact CB-CD1 3.56Å; A228-I260 HydrophobicContact CB-CG1 3.84Å; A231-I260 HydrophobicContact CB-CD1 4.28Å; A231-I260 HydrophobicContact CB-CG1 3.66Å; F232-I260 HydrophobicContact CD2-CD1 4.34Å; F232-I260 HydrophobicContact CE2-CD1 3.8Å; P256-I260 HydrophobicContact CB-CD1 4.4Å; P256-I260 WeakPolarHBondContact O-CD1 3.48Å; P256-I260 VanDerWaalsContact O-CG1 3.22Å; P256-I260 WeakPolarHBondContact O-CG1 3.38Å; P256-I260 PolarHBondContact O-N 2.97Å; Q257-I260 PolarHBondContact O-N 3.25Å; I260-Y295 HydrophobicContact CD1-CD2 4.06Å; I260-Y295 HydrophobicContact CD1-CE2 3.8Å; I260-V305 HydrophobicContact CG2-CG1 4.09Å; I260-V305 WeakPolarHBondContact O-CG1 3.22Å
261	S	94.6	Very high	94.6	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-85	-28.3	-175.8	-73.1	0	0	0	0	114.3	Q257 L259 Y293 G306 C308	Q257-S261 PolarHBondContact NE2-OG 3.11Å; Q257-S261 WeakPolarHBondContact O-CB 3.39Å; Q257-S261 PolarHBondContact O-N 3.46Å; L259-S261 VanDerWaalsContact C-N 3.33Å; L259-S261 PolarHBondContact O-N 2.91Å; S261-Y293 WeakPolarHBondContact CB-OH 3.29Å; S261-Y293 PolarHBondContact OG-OH 3.21Å; S261-G306 WeakPolarHBondContact CB-O 3.36Å; S261-G306 PolarHBondContact OG-O 2.71Å; S261-C308 WeakPolarHBondContact O-CB 3.33Å
262	C	95.4	Very high	94.5	Very high	11 Å²	11	30.9 Å²	30.9	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-117.3	-20.5	-167.6	-57.1	0	0	0	0	115.5	N258 L259 T264 Y281 C308 M310	N258-C262 PolarHBondContact ND2-SG 2.91Å; N258-C262 WeakPolarHBondContact O-CB 3.47Å; N258-C262 PolarHBondContact O-N 2.81Å; L259-C262 PolarHBondContact O-N 2.83Å; C262-T264 PolarHBondContact O-N 3.09Å; C262-Y281 WeakPolarHBondContact CB-OH 3.22Å; C262-Y281 VanDerWaalsContact O-CE2 3.29Å; C262-Y281 WeakPolarHBondContact O-CE2 3.37Å; C262-C308 HydrophobicContact CB-CB 3.84Å; C262-C308 WeakPolarHBondContact CB-SG 3.08Å; C262-C308 WeakPolarHBondContact SG-CA 3.36Å; C262-C308 WeakPolarHBondContact SG-CB 3.22Å; C262-C308 CovalentContact SG-SG 2.03Å; C262-C308 PolarHBondContact SG-SG 3.23Å; C262-M310 PolarHBondContact SG-O 2.86Å
263	D	95.4	Very high	94.5	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	17%	0.172	C	C	.	.			trans	-84.5	90.1	167.9	-173.4	18.1	0	0	0	108.4	W230 L259 Q267 Y281	W230-D263 HydrophobicContact CH2-CB 4.38Å; L259-D263 VanDerWaalsContact O-CB 3.31Å; L259-D263 WeakPolarHBondContact O-CB 3.08Å; L259-D263 PolarHBondContact O-N 3.44Å; D263-Q267 HydrophobicContact CB-CG 4.3Å; D263-Q267 WeakPolarHBondContact O-CB 3.48Å; D263-Q267 WeakPolarHBondContact O-CG 3.49Å; D263-Q267 WeakPolarHBondContact OD2-CG 3.04Å; D263-Q267 PolarHBondContact OD2-NE2 2.89Å; D263-Y281 HydrophobicContact CB-CD1 4.39Å; D263-Y281 HydrophobicContact CB-CD2 3.49Å; D263-Y281 VanDerWaalsContact CB-CD2 3.49Å; D263-Y281 HydrophobicContact CB-CE2 3.95Å; D263-Y281 HydrophobicContact CB-CG 3.74Å; D263-Y281 WeakPolarHBondContact OD1-CD2 2.95Å
264	T	90.8	Very high	94.4	Very high	107 Å²	107	31 Å²	31	66%	0.656	17%	0.17	S	C	*	.			trans	-104.9	-3.9	-173.4	58.4	0	0	0	0	113.6	C262 N266	C262-T264 PolarHBondContact O-N 3.09Å; T264-N266 PolarHBondContact O-N 3.48Å
265	R	89.3	Confident	94.4	Very high	177 Å²	177	30.9 Å²	30.9	67%	0.668	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	103.7	-175.7	-174.3	180	178.6	171.6	1.2	110.2	Q267	R265-Q267 PolarHBondContact O-N 3.45Å
266	N	87	Confident	94.2	Very high	122 Å²	122	32.8 Å²	32.8	65%	0.652	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	25.8	-175.4	-57.8	-33.4	0	0	0	113.6	T264	T264-N266 PolarHBondContact O-N 3.48Å
267	Q	93	Very high	94.1	Very high	20 Å²	20	33.5 Å²	33.5	9%	0.093	19%	0.188	C	C	.	.			trans	-119.2	142.8	176.8	-58.4	-67.3	31.2	0	0	109.5	W230 D263 R265 R274	W230-Q267 HydrophobicContact CH2-CB 4.29Å; W230-Q267 HydrophobicContact CH2-CG 4.24Å; W230-Q267 HydrophobicContact CZ2-CB 4.5Å; W230-Q267 HydrophobicContact CZ3-CG 4.47Å; D263-Q267 HydrophobicContact CB-CG 4.3Å; D263-Q267 WeakPolarHBondContact O-CB 3.48Å; D263-Q267 WeakPolarHBondContact O-CG 3.49Å; D263-Q267 WeakPolarHBondContact OD2-CG 3.04Å; D263-Q267 PolarHBondContact OD2-NE2 2.89Å; R265-Q267 PolarHBondContact O-N 3.45Å; Q267-R274 PolarHBondContact NE2-O 2.86Å
268	G	91.3	Very high	94.1	Very high	28 Å²	28	32.9 Å²	32.9	29%	0.289	19%	0.185	S	C	.	.			trans	-103.3	8.8	-178.3	0	0	0	0	0	114.5	C270 A271 G272	G268-C270 PolarHBondContact O-N 3.38Å; G268-C270 VanDerWaalsContact O-N 3.07Å; G268-A271 WeakPolarHBondContact O-CB 3.23Å; G268-A271 PolarHBondContact O-N 3.42Å; G268-G272 VanDerWaalsContact CA-O 3.24Å; G268-G272 WeakPolarHBondContact CA-O 3.26Å; G268-G272 PolarHBondContact N-O 3.32Å
269	G	92.7	Very high	94.1	Very high	4 Å²	4	32.8 Å²	32.8	4%	0.041	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-114.9	-172.6	0	0	0	0	0	111.1	W230 A271 G272	W230-G269 PolarHBondContact NE1-O 3.38Å; G269-A271 PolarHBondContact O-N 3.05Å; G269-G272 PolarHBondContact O-N 2.97Å
270	C	92.8	Very high	94.1	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.047	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-2.9	175.6	-67.2	0	0	0	0	115.2	C226 A227 G268 P302 V305	C226-C270 HydrophobicContact CB-CB 3.86Å; C226-C270 WeakPolarHBondContact CB-SG 3.07Å; C226-C270 WeakPolarHBondContact SG-CA 3.4Å; C226-C270 WeakPolarHBondContact SG-CB 3.35Å; C226-C270 CovalentContact SG-SG 2.03Å; C226-C270 PolarHBondContact SG-SG 3.21Å; A227-C270 WeakPolarHBondContact CB-O 3.17Å; A227-C270 PolarHBondContact N-O 3.35Å; G268-C270 PolarHBondContact O-N 3.38Å; G268-C270 VanDerWaalsContact O-N 3.07Å; C270-P302 HydrophobicContact CB-CB 4.12Å; C270-V305 HydrophobicContact CB-CG2 4.12Å
271	A	92.3	Very high	94.2	Very high	71 Å²	71	37.9 Å²	37.9	59%	0.587	20%	0.203	S	C	*	.	B	Isolated β-bridge	trans	-97	13.6	171.1	0	0	0	0	0	112.8	G268 G269	G268-A271 WeakPolarHBondContact O-CB 3.23Å; G268-A271 PolarHBondContact O-N 3.42Å; G269-A271 PolarHBondContact O-N 3.05Å
272	G	94.4	Very high	94.3	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	20%	0.202	C	C	.	.			trans	96.6	154.9	177.1	0	0	0	0	0	114.6	G178 A227 G268 G269	G178-G272 CarbonylContact O-C 3.43Å; G178-G272 WeakPolarHBondContact O-CA 3.4Å; A227-G272 VanDerWaalsContact O-CA 3.26Å; A227-G272 WeakPolarHBondContact O-CA 3.14Å; A227-G272 PolarHBondContact O-N 3.39Å; G268-G272 VanDerWaalsContact CA-O 3.24Å; G268-G272 WeakPolarHBondContact CA-O 3.26Å; G268-G272 PolarHBondContact N-O 3.32Å; G269-G272 PolarHBondContact O-N 2.97Å
273	G	96.1	Very high	94.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-155.4	170.8	-173	0	0	0	0	0	112.7	G178 K180 W230	G178-G273 PolarHBondContact O-N 3.03Å; K180-G273 PolarHBondContact N-O 3.08Å; W230-G273 WeakPolarHBondContact CB-O 3.11Å
274	R	96.9	Very high	94.3	Very high	64 Å²	64	47.1 Å²	47.1	24%	0.242	24%	0.236	C	C	.	.			trans	-105.9	133.7	-175.3	-66.8	175.5	55.7	168.1	-0.3	110	K180 Q267 D276 G277 A278	K180-R274 HydrophobicContact CB-CG 3.88Å; K180-R274 HydrophobicContact CD-CG 4.39Å; Q267-R274 PolarHBondContact NE2-O 2.86Å; R274-D276 VanDerWaalsContact C-N 3.32Å; R274-D276 WeakPolarHBondContact CB-OD1 3.36Å; R274-D276 IonicContact CZ-OD1 3.13Å; R274-D276 IonicContact CZ-OD2 2.82Å; R274-D276 IonicContact NE-OD1 3.67Å; R274-D276 PolarHBondContact NE-OD1 3.45Å; R274-D276 IonicContact NE-OD2 3.99Å; R274-D276 IonicContact NH2-OD1 2.63Å; R274-D276 PolarHBondContact NH2-OD1 3.44Å; R274-D276 IonicContact NH2-OD2 3.65Å; R274-D276 PolarHBondContact NH2-OD2 2.97Å; R274-D276 PolarHBondContact O-N 2.87Å; R274-G277 PolarHBondContact O-N 2.83Å; R274-A278 PolarHBondContact O-N 3.44Å
275	V	96.8	Very high	94.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-34.8	178.1	-59.9	0	0	0	0	112.3	T179 W230 G277 A278 W279 I365 F450 I452	T179-V275 HydrophobicContact CG2-CG1 4.06Å; W230-V275 HydrophobicContact CB-CG1 4.37Å; V275-G277 VanDerWaalsContact C-N 3.35Å; V275-G277 PolarHBondContact O-N 3.17Å; V275-A278 PolarHBondContact O-N 3.35Å; V275-W279 PolarHBondContact O-N 3.1Å; V275-I365 HydrophobicContact CG1-CD1 4.44Å; V275-I365 HydrophobicContact CG2-CD1 3.85Å; V275-F450 HydrophobicContact CG2-CE1 3.83Å; V275-I452 HydrophobicContact CG2-CD1 3.92Å
276	D	94.3	Very high	94.9	Very high	40 Å²	40	39 Å²	39	21%	0.214	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-37.4	178.6	66.4	-74.4	0	0	0	112.3	I186 R274 W280	I186-D276 HydrophobicContact CG2-CB 4.32Å; R274-D276 VanDerWaalsContact C-N 3.32Å; R274-D276 WeakPolarHBondContact CB-OD1 3.36Å; R274-D276 IonicContact CZ-OD1 3.13Å; R274-D276 IonicContact CZ-OD2 2.82Å; R274-D276 IonicContact NE-OD1 3.67Å; R274-D276 PolarHBondContact NE-OD1 3.45Å; R274-D276 IonicContact NE-OD2 3.99Å; R274-D276 IonicContact NH2-OD1 2.63Å; R274-D276 PolarHBondContact NH2-OD1 3.44Å; R274-D276 IonicContact NH2-OD2 3.65Å; R274-D276 PolarHBondContact NH2-OD2 2.97Å; R274-D276 PolarHBondContact O-N 2.87Å; D276-W280 WeakPolarHBondContact O-CB 3.35Å; D276-W280 PolarHBondContact O-N 2.86Å; D276-W280 VanDerWaalsContact O-N 3.11Å
277	G	95.8	Very high	95.4	Very high	16 Å²	16	33.2 Å²	33.2	17%	0.165	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-44.7	172.5	0	0	0	0	0	111.9	R274 V275 W280 Y281	R274-G277 PolarHBondContact O-N 2.83Å; V275-G277 VanDerWaalsContact C-N 3.35Å; V275-G277 PolarHBondContact O-N 3.17Å; G277-W280 WeakPolarHBondContact O-CB 3.1Å; G277-W280 PolarHBondContact O-N 3.33Å; G277-Y281 PolarHBondContact O-N 2.75Å
278	A	97.8	Very high	95.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-46.5	-179	0	0	0	0	0	112.3	W230 T234 R274 V275 W280 Y281 L282	W230-A278 HydrophobicContact CE3-CB 3.69Å; W230-A278 HydrophobicContact CZ3-CB 3.76Å; T234-A278 HydrophobicContact CG2-CB 3.92Å; R274-A278 PolarHBondContact O-N 3.44Å; V275-A278 PolarHBondContact O-N 3.35Å; A278-W280 VanDerWaalsContact C-N 3.33Å; A278-W280 PolarHBondContact O-N 3.27Å; A278-Y281 WeakPolarHBondContact O-CB 3.36Å; A278-Y281 PolarHBondContact O-N 3.19Å; A278-L282 WeakPolarHBondContact O-CB 3.45Å; A278-L282 PolarHBondContact O-N 3.04Å
279	W	97.5	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-36.6	175.3	-75	116.1	0	0	0	112.7	T234 V237 A238 V275 Y281 L282 R283 P342 V454	T234-W279 HydrophobicContact CG2-CD2 3.89Å; T234-W279 HydrophobicContact CG2-CE3 4.04Å; T234-W279 HydrophobicContact CG2-CG 4.43Å; T234-W279 HydrophobicContact CG2-CH2 4.1Å; T234-W279 HydrophobicContact CG2-CZ2 3.99Å; T234-W279 HydrophobicContact CG2-CZ3 4.13Å; T234-W279 WeakPolarHBondContact O-CH2 3.4Å; V237-W279 HydrophobicContact CB-CH2 3.99Å; V237-W279 HydrophobicContact CB-CZ2 4.06Å; V237-W279 HydrophobicContact CG1-CH2 3.77Å; V237-W279 HydrophobicContact CG1-CZ2 3.9Å; A238-W279 HydrophobicContact CB-CH2 4Å; A238-W279 HydrophobicContact CB-CZ3 3.9Å; V275-W279 PolarHBondContact O-N 3.1Å; W279-Y281 VanDerWaalsContact C-N 3.34Å; W279-L282 HydrophobicContact CE3-CD2 3.85Å; W279-L282 HydrophobicContact CZ3-CD2 3.54Å; W279-L282 PolarHBondContact O-N 3.32Å; W279-R283 WeakPolarHBondContact O-CB 3.24Å; W279-R283 PolarHBondContact O-N 3.07Å; W279-P342 HydrophobicContact CB-CB 3.89Å; W279-P342 HydrophobicContact CB-CG 3.63Å; W279-P342 HydrophobicContact CD2-CB 4.35Å; W279-P342 HydrophobicContact CG-CB 3.9Å; W279-P342 HydrophobicContact CG-CG 4.19Å; W279-V454 HydrophobicContact CE3-CB 4.29Å; W279-V454 HydrophobicContact CE3-CG1 4.36Å; W279-V454 HydrophobicContact CE3-CG2 3.94Å; W279-V454 HydrophobicContact CH2-CB 4.2Å; W279-V454 HydrophobicContact CH2-CG1 3.53Å; W279-V454 HydrophobicContact CZ2-CG1 4.29Å; W279-V454 HydrophobicContact CZ3-CB 3.96Å; W279-V454 HydrophobicContact CZ3-CG1 3.55Å; W279-V454 HydrophobicContact CZ3-CG2 3.87Å
280	W	95.8	Very high	96.2	Very high	92 Å²	92	32.7 Å²	32.7	35%	0.348	15%	0.153	S	C	.	.	H	α-helix	trans	-65.5	-39.7	174.9	-171.4	101.2	0	0	0	111.8	D276 G277 A278 R284	D276-W280 WeakPolarHBondContact O-CB 3.35Å; D276-W280 PolarHBondContact O-N 2.86Å; D276-W280 VanDerWaalsContact O-N 3.11Å; G277-W280 WeakPolarHBondContact O-CB 3.1Å; G277-W280 PolarHBondContact O-N 3.33Å; A278-W280 VanDerWaalsContact C-N 3.33Å; A278-W280 PolarHBondContact O-N 3.27Å; W280-R284 HydrophobicContact CD2-CG 4.18Å; W280-R284 VanDerWaalsContact CE2-CD 3.46Å; W280-R284 HydrophobicContact CE3-CB 4.44Å; W280-R284 HydrophobicContact CE3-CG 4.33Å; W280-R284 VanDerWaalsContact CH2-CD 3.46Å; W280-R284 HydrophobicContact CZ2-CG 4.47Å; W280-R284 WeakPolarHBondContact O-CB 3.48Å; W280-R284 PolarHBondContact O-N 3.42Å
281	Y	97.5	Very high	96.4	Very high	19 Å²	19	37 Å²	37	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-50.5	173.3	-172.1	-82.2	0	0	0	110.6	L259 C262 D263 G277 A278 W279 R283 R284 R285 G286 V287	L259-Y281 HydrophobicContact CD2-CD1 3.68Å; L259-Y281 HydrophobicContact CD2-CE1 4.36Å; L259-Y281 HydrophobicContact CD2-CG 4.3Å; C262-Y281 WeakPolarHBondContact CB-OH 3.22Å; C262-Y281 VanDerWaalsContact O-CE2 3.29Å; C262-Y281 WeakPolarHBondContact O-CE2 3.37Å; D263-Y281 HydrophobicContact CB-CD1 4.39Å; D263-Y281 HydrophobicContact CB-CD2 3.49Å; D263-Y281 VanDerWaalsContact CB-CD2 3.49Å; D263-Y281 HydrophobicContact CB-CE2 3.95Å; D263-Y281 HydrophobicContact CB-CG 3.74Å; D263-Y281 WeakPolarHBondContact OD1-CD2 2.95Å; G277-Y281 PolarHBondContact O-N 2.75Å; A278-Y281 WeakPolarHBondContact O-CB 3.36Å; A278-Y281 PolarHBondContact O-N 3.19Å; W279-Y281 VanDerWaalsContact C-N 3.34Å; Y281-R283 VanDerWaalsContact C-N 3.33Å; Y281-R283 PolarHBondContact O-N 3.49Å; Y281-R284 PolarHBondContact O-N 3.39Å; Y281-R285 HydrophobicContact CD1-CB 4Å; Y281-R285 HydrophobicContact CD2-CB 4.34Å; Y281-R285 HydrophobicContact CD2-CG 4.09Å; Y281-R285 HydrophobicContact CE1-CB 3.69Å; Y281-R285 HydrophobicContact CE1-CG 4.41Å; Y281-R285 HydrophobicContact CE2-CB 4.08Å; Y281-R285 HydrophobicContact CE2-CG 3.88Å; Y281-R285 HydrophobicContact CG-CB 4.31Å; Y281-R285 HydrophobicContact CG-CG 4.46Å; Y281-R285 WeakPolarHBondContact O-CA 3.24Å; Y281-R285 WeakPolarHBondContact O-CB 3.3Å; Y281-R285 PolarHBondContact O-N 2.88Å; Y281-G286 WeakPolarHBondContact CE1-O 3.36Å; Y281-G286 PolarHBondContact O-N 3.36Å; Y281-V287 HydrophobicContact CD1-CG1 4.26Å; Y281-V287 HydrophobicContact CE1-CG1 4.04Å
282	L	97.3	Very high	96.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-41.6	-179.4	-167.6	70.5	0	0	0	112.2	A238 L254 A278 W279 G286 V287 Q338	A238-L282 HydrophobicContact CB-CD2 3.41Å; A238-L282 VanDerWaalsContact CB-CD2 3.41Å; L254-L282 HydrophobicContact CD1-CD1 4.24Å; A278-L282 WeakPolarHBondContact O-CB 3.45Å; A278-L282 PolarHBondContact O-N 3.04Å; W279-L282 HydrophobicContact CE3-CD2 3.85Å; W279-L282 HydrophobicContact CZ3-CD2 3.54Å; W279-L282 PolarHBondContact O-N 3.32Å; L282-G286 VanDerWaalsContact O-CA 3.24Å; L282-G286 WeakPolarHBondContact O-CA 3Å; L282-G286 PolarHBondContact O-N 3.47Å; L282-G286 VanDerWaalsContact O-N 3.08Å; L282-V287 HydrophobicContact CD1-CB 4.23Å; L282-V287 HydrophobicContact CD1-CG1 3.95Å; L282-V287 HydrophobicContact CD1-CG2 3.49Å; L282-V287 VanDerWaalsContact CD1-CG2 3.49Å; L282-Q338 WeakPolarHBondContact O-CA 3.02Å
283	R	95.8	Very high	96.8	Very high	99 Å²	99	33.6 Å²	33.6	37%	0.374	15%	0.146	S	C	.	.	H	α-helix	trans	-60.2	-50.6	173.5	179.3	-164.9	169.5	-146.4	1.3	111.6	W279 Y281 Q338 S339	W279-R283 WeakPolarHBondContact O-CB 3.24Å; W279-R283 PolarHBondContact O-N 3.07Å; Y281-R283 VanDerWaalsContact C-N 3.33Å; Y281-R283 PolarHBondContact O-N 3.49Å; R283-Q338 PolarHBondContact O-NE2 2.94Å; R283-S339 WeakPolarHBondContact CA-O 3.33Å; R283-S339 PolarHBondContact N-OG 2.64Å
284	R	94.7	Very high	96.8	Very high	118 Å²	118	35.5 Å²	35.5	45%	0.445	16%	0.159	S	C	.	.	H	α-helix	trans	-83.2	-45.7	-169.5	-74.3	-158.4	179	-165.3	0.9	113.2	W280 Y281 R320	W280-R284 HydrophobicContact CD2-CG 4.18Å; W280-R284 VanDerWaalsContact CE2-CD 3.46Å; W280-R284 HydrophobicContact CE3-CB 4.44Å; W280-R284 HydrophobicContact CE3-CG 4.33Å; W280-R284 VanDerWaalsContact CH2-CD 3.46Å; W280-R284 HydrophobicContact CZ2-CG 4.47Å; W280-R284 WeakPolarHBondContact O-CB 3.48Å; W280-R284 PolarHBondContact O-N 3.42Å; Y281-R284 PolarHBondContact O-N 3.39Å; R284-R320 PolarHBondContact O-NE 2.93Å; R284-R320 PolarHBondContact O-NH2 3.29Å
285	R	96.1	Very high	96.7	Very high	113 Å²	113	34 Å²	34	43%	0.426	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-35.8	-172.9	-61.4	-65.3	-179	168.7	-0.5	111.6	Y281 S312 R320 I336	Y281-R285 HydrophobicContact CD1-CB 4Å; Y281-R285 HydrophobicContact CD2-CB 4.34Å; Y281-R285 HydrophobicContact CD2-CG 4.09Å; Y281-R285 HydrophobicContact CE1-CB 3.69Å; Y281-R285 HydrophobicContact CE1-CG 4.41Å; Y281-R285 HydrophobicContact CE2-CB 4.08Å; Y281-R285 HydrophobicContact CE2-CG 3.88Å; Y281-R285 HydrophobicContact CG-CB 4.31Å; Y281-R285 HydrophobicContact CG-CG 4.46Å; Y281-R285 WeakPolarHBondContact O-CA 3.24Å; Y281-R285 WeakPolarHBondContact O-CB 3.3Å; Y281-R285 PolarHBondContact O-N 2.88Å; R285-S312 WeakPolarHBondContact CA-OG 3.48Å; R285-S312 VanDerWaalsContact O-CB 3.32Å; R285-S312 WeakPolarHBondContact O-CB 3.42Å; R285-S312 PolarHBondContact O-OG 3.33Å; R285-R320 VanDerWaalsContact NH1-NH1 3.16Å; R285-I336 WeakPolarHBondContact O-CG2 3.36Å
286	G	97.1	Very high	96.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	18%	0.184	C	C	.	.			trans	68.9	174.5	-171.2	0	0	0	0	0	112.5	Y281 L282 Y337	Y281-G286 WeakPolarHBondContact CE1-O 3.36Å; Y281-G286 PolarHBondContact O-N 3.36Å; L282-G286 VanDerWaalsContact O-CA 3.24Å; L282-G286 WeakPolarHBondContact O-CA 3Å; L282-G286 PolarHBondContact O-N 3.47Å; L282-G286 VanDerWaalsContact O-N 3.08Å; G286-Y337 CarbonylContact C-O 3.15Å; G286-Y337 WeakPolarHBondContact CA-O 3.49Å
287	V	98.2	Very high	95.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-137.5	160.8	178.8	-60.3	0	0	0	0	110.6	L254 N258 L259 Y281 L282 Y337	L254-V287 HydrophobicContact CB-CG2 3.91Å; L254-V287 HydrophobicContact CD1-CG2 3.93Å; L254-V287 HydrophobicContact CD2-CG2 4.29Å; L254-V287 HydrophobicContact CG-CG2 4.27Å; N258-V287 HydrophobicContact CB-CB 4.07Å; N258-V287 HydrophobicContact CB-CG1 4.14Å; N258-V287 WeakPolarHBondContact OD1-CA 3.06Å; L259-V287 HydrophobicContact CD2-CG1 3.73Å; L259-V287 HydrophobicContact CG-CG1 3.97Å; Y281-V287 HydrophobicContact CD1-CG1 4.26Å; Y281-V287 HydrophobicContact CE1-CG1 4.04Å; L282-V287 HydrophobicContact CD1-CB 4.23Å; L282-V287 HydrophobicContact CD1-CG1 3.95Å; L282-V287 HydrophobicContact CD1-CG2 3.49Å; L282-V287 VanDerWaalsContact CD1-CG2 3.49Å; V287-Y337 PolarHBondContact N-O 2.85Å; V287-Y337 PolarHBondContact O-N 3.26Å
288	V	98.1	Very high	94.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.			trans	-83.7	175.2	169.3	-62.1	0	0	0	0	111.6	S255 N258 C292 M310 I336	S255-V288 WeakPolarHBondContact CB-O 3.43Å; S255-V288 PolarHBondContact N-O 3.3Å; N258-V288 PolarHBondContact OD1-N 3.26Å; V288-C292 HydrophobicContact CB-CB 3.96Å; V288-C292 HydrophobicContact CG2-CB 3.94Å; V288-M310 HydrophobicContact CB-CG 4.44Å; V288-M310 HydrophobicContact CG1-CE 4.44Å; V288-M310 HydrophobicContact CG1-CG 3.63Å; V288-M310 HydrophobicContact CG1-SD 4.02Å; V288-M310 HydrophobicContact CG2-CG 3.92Å; V288-I336 HydrophobicContact CG1-CD1 3.55Å
289	T	98.2	Very high	93	Very high	15 Å²	15	51.2 Å²	51.2	9%	0.092	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-71.3	157.2	172.1	56.5	0	0	0	0	112.6	P252 Q253 S255 D291 C292 Y293 Y337	P252-T289 HydrophobicContact CB-CG2 3.91Å; Q253-T289 CarbonylContact O-C 3.54Å; Q253-T289 WeakPolarHBondContact O-CA 3.19Å; Q253-T289 VanDerWaalsContact O-CB 3.28Å; Q253-T289 WeakPolarHBondContact O-CB 3.26Å; S255-T289 WeakPolarHBondContact CB-O 3.47Å; T289-D291 VanDerWaalsContact C-N 3.26Å; T289-D291 PolarHBondContact O-N 3.22Å; T289-C292 WeakPolarHBondContact O-CB 3.21Å; T289-C292 PolarHBondContact O-N 3.07Å; T289-C292 PolarHBondContact OG1-N 3.02Å; T289-Y293 PolarHBondContact O-N 3.47Å; T289-Y337 HydrophobicContact CG2-CD2 4.37Å; T289-Y337 HydrophobicContact CG2-CE2 3.7Å
290	D	97.5	Very high	90.8	Very high	25 Å²	25	59.6 Å²	59.6	13%	0.134	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.1	173	-165.7	59.7	0	0	0	110.8	Q253 C292 Y293 P294 Y295	Q253-D290 HydrophobicContact CG-CB 4.36Å; Q253-D290 PolarHBondContact O-N 3.32Å; D290-C292 PolarHBondContact O-N 3.1Å; D290-C292 VanDerWaalsContact O-N 3.13Å; D290-Y293 CarbonylContact O-C 3.42Å; D290-Y293 PolarHBondContact O-N 3.41Å; D290-P294 WeakPolarHBondContact O-CA 3.36Å; D290-P294 VanDerWaalsContact O-CD 3.26Å; D290-P294 WeakPolarHBondContact O-CD 3.17Å; D290-P294 VanDerWaalsContact O-CG 3.27Å; D290-P294 WeakPolarHBondContact O-CG 3.33Å; D290-Y295 PolarHBondContact OD1-N 3.35Å
291	D	96.9	Very high	88.7	Confident	98 Å²	98	58.3 Å²	58.3	52%	0.524	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.8	173	-64.7	-26.6	0	0	0	113.4	T289 N328 N331	T289-D291 VanDerWaalsContact C-N 3.26Å; T289-D291 PolarHBondContact O-N 3.22Å; D291-N328 VanDerWaalsContact O-CB 3.22Å; D291-N328 WeakPolarHBondContact O-CB 3.37Å; D291-N328 PolarHBondContact O-ND2 3.15Å; D291-N331 WeakPolarHBondContact CB-ND2 3.29Å; D291-N331 PolarHBondContact O-ND2 3.28Å
292	C	97.4	Very high	86.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-43.7	178.2	-179.8	0	0	0	0	111.4	V288 T289 D290 C326 P327 N328 N331	V288-C292 HydrophobicContact CB-CB 3.96Å; V288-C292 HydrophobicContact CG2-CB 3.94Å; T289-C292 WeakPolarHBondContact O-CB 3.21Å; T289-C292 PolarHBondContact O-N 3.07Å; T289-C292 PolarHBondContact OG1-N 3.02Å; D290-C292 PolarHBondContact O-N 3.1Å; D290-C292 VanDerWaalsContact O-N 3.13Å; C292-C326 VanDerWaalsContact CA-SG 3.52Å; C292-C326 HydrophobicContact CB-CB 3.93Å; C292-C326 WeakPolarHBondContact CB-SG 3.42Å; C292-C326 VanDerWaalsContact O-CB 3.29Å; C292-C326 WeakPolarHBondContact O-CB 3.26Å; C292-C326 WeakPolarHBondContact SG-CA 3.2Å; C292-C326 WeakPolarHBondContact SG-CB 3.44Å; C292-C326 CovalentContact SG-SG 2.04Å; C292-C326 PolarHBondContact SG-SG 2.76Å; C292-P327 VanDerWaalsContact O-CD 3.24Å; C292-P327 WeakPolarHBondContact O-CD 3.4Å; C292-N328 PolarHBondContact O-N 3.48Å; C292-N331 PolarHBondContact N-ND2 2.92Å
293	Y	96.9	Very high	84.1	Confident	4 Å²	4	63 Å²	63	2%	0.016	32%	0.319	C	S	.	.	S	Bend	trans	-128.1	81	177.2	-166.3	174.2	0	0	0	110.3	S255 Q257 N258 S261 T289 D290 M309 M310 P327	S255-Y293 WeakPolarHBondContact CB-O 3.04Å; S255-Y293 PolarHBondContact OG-O 2.72Å; Q257-Y293 HydrophobicContact CB-CD2 4.05Å; Q257-Y293 HydrophobicContact CB-CE2 4.2Å; Q257-Y293 HydrophobicContact CB-CG 4.38Å; Q257-Y293 HydrophobicContact CG-CD2 3.55Å; Q257-Y293 HydrophobicContact CG-CE1 4.38Å; Q257-Y293 HydrophobicContact CG-CE2 3.23Å; Q257-Y293 HydrophobicContact CG-CG 4.25Å; N258-Y293 HydrophobicContact CB-CD1 3.82Å; N258-Y293 HydrophobicContact CB-CE1 4.4Å; S261-Y293 WeakPolarHBondContact CB-OH 3.29Å; S261-Y293 PolarHBondContact OG-OH 3.21Å; T289-Y293 PolarHBondContact O-N 3.47Å; D290-Y293 CarbonylContact O-C 3.42Å; D290-Y293 PolarHBondContact O-N 3.41Å; Y293-M309 HydrophobicContact CD2-CE 4.23Å; Y293-M309 HydrophobicContact CE1-CB 4.27Å; Y293-M309 HydrophobicContact CE2-CE 3.32Å; Y293-M309 PolarHBondContact OH-N 3.07Å; Y293-M310 HydrophobicContact CD1-CB 3.7Å; Y293-M310 HydrophobicContact CE1-CB 4.02Å; Y293-P327 HydrophobicContact CD1-CG 4.2Å; Y293-P327 HydrophobicContact CD2-CB 3.99Å; Y293-P327 HydrophobicContact CD2-CG 3.74Å; Y293-P327 HydrophobicContact CE1-CG 4.49Å; Y293-P327 HydrophobicContact CE2-CB 4.32Å; Y293-P327 HydrophobicContact CE2-CG 4.06Å; Y293-P327 HydrophobicContact CG-CB 4.46Å; Y293-P327 HydrophobicContact CG-CG 3.81Å
294	P	96	Very high	82	Confident	39 Å²	39	64.7 Å²	64.7	25%	0.253	33%	0.331	S	S	.	.			trans	-66.3	147.1	-173.7	-22.4	32.6	0	0	0	112.2	D290 Q296 N328	D290-P294 WeakPolarHBondContact O-CA 3.36Å; D290-P294 VanDerWaalsContact O-CD 3.26Å; D290-P294 WeakPolarHBondContact O-CD 3.17Å; D290-P294 VanDerWaalsContact O-CG 3.27Å; D290-P294 WeakPolarHBondContact O-CG 3.33Å; P294-Q296 PolarHBondContact O-N 3.48Å; P294-N328 HydrophobicContact CG-CB 3.91Å
295	Y	94.9	Very high	80.2	Confident	34 Å²	34	61.3 Å²	61.3	13%	0.133	32%	0.324	C	S	.	.			trans	-62.5	131.8	170.5	-177	-114.6	0	0	0	112.5	D222 Q223 C226 F232 Q257 I260 D290 P297	D222-Y295 WeakPolarHBondContact O-CE1 3.2Å; Q223-Y295 PolarHBondContact O-OH 3.34Å; C226-Y295 WeakPolarHBondContact CB-OH 3.3Å; F232-Y295 HydrophobicContact CE1-CD1 4.44Å; F232-Y295 HydrophobicContact CE1-CG 4.46Å; F232-Y295 HydrophobicContact CE2-CD2 4.1Å; F232-Y295 HydrophobicContact CE2-CE1 4.44Å; F232-Y295 AromaticContact CE2-CE2 3.96Å; F232-Y295 HydrophobicContact CE2-CE2 3.96Å; F232-Y295 HydrophobicContact CE2-CG 4.46Å; F232-Y295 AromaticContact CZ-CD1 3.67Å; F232-Y295 HydrophobicContact CZ-CD1 3.67Å; F232-Y295 AromaticContact CZ-CD2 3.72Å; F232-Y295 HydrophobicContact CZ-CD2 3.72Å; F232-Y295 AromaticContact CZ-CE1 3.79Å; F232-Y295 HydrophobicContact CZ-CE1 3.79Å; F232-Y295 AromaticContact CZ-CE2 3.89Å; F232-Y295 HydrophobicContact CZ-CE2 3.89Å; F232-Y295 AromaticContact CZ-CG 3.63Å; F232-Y295 HydrophobicContact CZ-CG 3.63Å; F232-Y295 AromaticContact CZ-CZ 3.91Å; Q257-Y295 HydrophobicContact CB-CD2 4.44Å; I260-Y295 HydrophobicContact CD1-CD2 4.06Å; I260-Y295 HydrophobicContact CD1-CE2 3.8Å; D290-Y295 PolarHBondContact OD1-N 3.35Å; Y295-P297 HydrophobicContact CE1-CB 3.93Å
296	Q	89.3	Confident	78.7	Confident	137 Å²	137	57.7 Å²	57.7	64%	0.64	32%	0.321	S	S	*	.			trans	-121.7	109.2	174.1	-67.9	-177.4	-7	0	0	108.6	Q257 P294	Q257-Q296 VanDerWaalsContact OE1-N 3.14Å; P294-Q296 PolarHBondContact O-N 3.48Å
297	P	80.1	Confident	78.1	Confident	77 Å²	77	68.2 Å²	68.2	50%	0.5	36%	0.361	S	S	.	.			trans	-63.2	138.8	178.8	24.7	-31.6	0	0	0	110.3	Y295 Q299	Y295-P297 HydrophobicContact CE1-CB 3.93Å; P297-Q299 PolarHBondContact O-N 2.92Å
298	P	74.9	Confident	77.8	Confident	27 Å²	27	69.7 Å²	69.7	18%	0.175	37%	0.371	C	S	.	.			trans	-62.4	131.7	178.6	23.1	-30.5	0	0	0	110.1	C226	C226-P298 HydrophobicContact CB-CG 3.94Å
299	Q	62.1	Low	77.5	Confident	176 Å²	176	73.8 Å²	73.8	82%	0.822	39%	0.391	S	S	*	.	S	Bend	trans	-76.6	-32.9	-173.6	-67.1	-178.5	6.1	0	0	112.6	P297	P297-Q299 PolarHBondContact O-N 2.92Å
300	Q	52.8	Low	77.3	Confident	177 Å²	177	73.1 Å²	73.1	83%	0.827	39%	0.387	S	S	*	.	S	Bend	trans	-146.4	-30	-173.9	-63.2	-179.1	10.8	0	0	115.5
301	T	51.8	Low	77.2	Confident	64 Å²	64	77.4 Å²	77.4	39%	0.393	41%	0.406	S	S	.	.			trans	-140.6	146.3	177.3	70.2	0	0	0	0	113.3	A303 E304	T301-A303 PolarHBondContact O-N 2.87Å; T301-A303 VanDerWaalsContact O-N 3.08Å; T301-E304 PolarHBondContact O-N 2.56Å
302	P	51.3	Low	77.1	Confident	28 Å²	28	73.2 Å²	73.2	18%	0.182	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-10.5	172.1	-22.1	32.8	0	0	0	114.6	F175 C270	F175-P302 HydrophobicContact CD1-CG 4.29Å; F175-P302 HydrophobicContact CE1-CG 3.79Å; C270-P302 HydrophobicContact CB-CB 4.12Å
303	A	46	Very low	77	Confident	92 Å²	92	80.1 Å²	80.1	76%	0.76	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.5	-175.5	0	0	0	0	0	113.2	T301 V305	T301-A303 PolarHBondContact O-N 2.87Å; T301-A303 VanDerWaalsContact O-N 3.08Å; A303-V305 PolarHBondContact O-N 3.02Å
304	E	50.9	Low	77	Confident	134 Å²	134	83.7 Å²	83.7	63%	0.626	44%	0.436	S	S	*	.			trans	-90.2	51.8	172.3	-65.1	-178.4	162	0	0	110.6	T301 G306	T301-E304 PolarHBondContact O-N 2.56Å; E304-G306 VanDerWaalsContact C-N 3.25Å; E304-G306 PolarHBondContact O-N 2.89Å
305	V	58	Low	76.8	Confident	46 Å²	46	85.4 Å²	85.4	28%	0.279	45%	0.445	S	S	.	.			trans	-62.8	100.8	160.6	177	0	0	0	0	105.4	I260 C270 A303 R307	I260-V305 HydrophobicContact CG2-CG1 4.09Å; I260-V305 WeakPolarHBondContact O-CG1 3.22Å; C270-V305 HydrophobicContact CB-CG2 4.12Å; A303-V305 PolarHBondContact O-N 3.02Å; V305-R307 PolarHBondContact O-N 3.44Å
306	G	65.1	Low	76.5	Confident	37 Å²	37	85.5 Å²	85.5	38%	0.381	46%	0.456	S	S	.	.			trans	-47.9	135.9	-176.6	0	0	0	0	0	110.2	S261 E304 C308	S261-G306 WeakPolarHBondContact CB-O 3.36Å; S261-G306 PolarHBondContact OG-O 2.71Å; E304-G306 VanDerWaalsContact C-N 3.25Å; E304-G306 PolarHBondContact O-N 2.89Å; G306-C308 PolarHBondContact O-N 3.18Å
307	R	83.2	Confident	76.4	Confident	223 Å²	223	89.8 Å²	89.8	84%	0.842	47%	0.467	S	S	*	.			trans	-45.4	135.9	177.9	179.9	-176.8	179.6	-154.8	1.1	109.3	V305 M309	V305-R307 PolarHBondContact O-N 3.44Å; R307-M309 VanDerWaalsContact O-CG 3.26Å; R307-M309 WeakPolarHBondContact O-CG 3.34Å; R307-M309 PolarHBondContact O-N 3.46Å
308	C	92.2	Very high	76.6	Confident	30 Å²	30	87.8 Å²	87.8	20%	0.203	46%	0.46	C	S	.	.			trans	-50.9	111.3	172.9	178.2	0	0	0	0	111.5	S261 C262 G306 Q311	S261-C308 WeakPolarHBondContact O-CB 3.33Å; C262-C308 HydrophobicContact CB-CB 3.84Å; C262-C308 WeakPolarHBondContact CB-SG 3.08Å; C262-C308 WeakPolarHBondContact SG-CA 3.36Å; C262-C308 WeakPolarHBondContact SG-CB 3.22Å; C262-C308 CovalentContact SG-SG 2.03Å; C262-C308 PolarHBondContact SG-SG 3.23Å; G306-C308 PolarHBondContact O-N 3.18Å; C308-Q311 VanDerWaalsContact SG-CG 3.55Å
309	M	92.8	Very high	77.2	Confident	87 Å²	87	89.3 Å²	89.3	43%	0.429	46%	0.464	S	S	.	.			trans	-94.7	-14.7	178.4	-60.8	-168.3	-77.4	0	0	112.9	Y293 R307 P327	Y293-M309 HydrophobicContact CD2-CE 4.23Å; Y293-M309 HydrophobicContact CE1-CB 4.27Å; Y293-M309 HydrophobicContact CE2-CE 3.32Å; Y293-M309 PolarHBondContact OH-N 3.07Å; R307-M309 VanDerWaalsContact O-CG 3.26Å; R307-M309 WeakPolarHBondContact O-CG 3.34Å; R307-M309 PolarHBondContact O-N 3.46Å; M309-P327 HydrophobicContact CB-CG 3.7Å; M309-P327 HydrophobicContact CE-CB 3.68Å; M309-P327 HydrophobicContact CE-CG 3.96Å; M309-P327 HydrophobicContact SD-CB 4.26Å; M309-P327 HydrophobicContact SD-CG 4.38Å
310	M	93.8	Very high	78.8	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	43%	0.434	C	S	.	.			trans	-132.2	101.2	-175.4	-172	56.9	66.1	0	0	112	N258 C262 V288 Y293 A322 Q324 R325	N258-M310 PolarHBondContact ND2-O 2.92Å; N258-M310 VanDerWaalsContact ND2-O 3.08Å; C262-M310 PolarHBondContact SG-O 2.86Å; V288-M310 HydrophobicContact CB-CG 4.44Å; V288-M310 HydrophobicContact CG1-CE 4.44Å; V288-M310 HydrophobicContact CG1-CG 3.63Å; V288-M310 HydrophobicContact CG1-SD 4.02Å; V288-M310 HydrophobicContact CG2-CG 3.92Å; Y293-M310 HydrophobicContact CD1-CB 3.7Å; Y293-M310 HydrophobicContact CE1-CB 4.02Å; M310-A322 HydrophobicContact SD-CB 3.55Å; M310-A322 VanDerWaalsContact SD-CB 3.55Å; M310-Q324 HydrophobicContact CE-CB 4.43Å; M310-Q324 WeakPolarHBondContact CE-O 3.33Å; M310-R325 WeakPolarHBondContact CE-O 3.32Å
311	Q	94.4	Very high	80.8	Confident	116 Å²	116	78.6 Å²	78.6	54%	0.542	41%	0.412	S	S	.	.			trans	-103.2	167.1	171.2	-63.6	-177	-12	0	0	110.7	C308 T323	C308-Q311 VanDerWaalsContact SG-CG 3.55Å; Q311-T323 HydrophobicContact CB-CG2 4.21Å; Q311-T323 PolarHBondContact O-N 3.49Å; Q311-T323 PolarHBondContact O-OG1 3.2Å; Q311-T323 VanDerWaalsContact O-OG1 3.08Å
312	S	95.8	Very high	82.9	Confident	9 Å²	9	76.1 Å²	76.1	6%	0.063	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.3	174.5	77.2	0	0	0	0	113	R285 R320 Q321	R285-S312 WeakPolarHBondContact CA-OG 3.48Å; R285-S312 VanDerWaalsContact O-CB 3.32Å; R285-S312 WeakPolarHBondContact O-CB 3.42Å; R285-S312 PolarHBondContact O-OG 3.33Å; S312-R320 PolarHBondContact O-NH1 2.88Å; S312-Q321 VanDerWaalsContact CA-O 3.3Å; S312-Q321 WeakPolarHBondContact CA-O 3.29Å
313	R	95.6	Very high	85	Confident	146 Å²	146	77.3 Å²	77.3	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.1	173.9	64.8	-178	178.2	165.6	7	111.2	R320 Q321 T323	R313-R320 WeakPolarHBondContact O-CA 3.49Å; R313-Q321 HydrophobicContact CG-CG 3.57Å; R313-Q321 PolarHBondContact N-O 3.28Å; R313-Q321 PolarHBondContact O-N 3.37Å; R313-T323 HydrophobicContact CB-CG2 4.07Å; R313-T323 HydrophobicContact CG-CG2 4.14Å
314	S	95.3	Very high	87.3	Confident	79 Å²	79	78.7 Å²	78.7	55%	0.552	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	139.1	176.3	-176	0	0	0	0	110.2	G316	S314-G316 PolarHBondContact OG-N 3.47Å
315	V	92.7	Very high	89.4	Confident	75 Å²	75	82.1 Å²	82.1	46%	0.455	40%	0.402	S	S	.	.			trans	-117	15.3	171.9	-64.4	0	0	0	0	112.6	K319 Q321	V315-K319 HydrophobicContact CG2-CB 3.63Å; V315-K319 PolarHBondContact N-O 2.91Å; V315-K319 VanDerWaalsContact N-O 3.16Å; V315-Q321 HydrophobicContact CG1-CB 4.01Å; V315-Q321 HydrophobicContact CG1-CG 3.46Å; V315-Q321 VanDerWaalsContact CG1-CG 3.46Å
316	G	89.2	Confident	91.2	Very high	35 Å²	35	80.4 Å²	80.4	36%	0.361	39%	0.392	S	S	.	.	S	Bend	trans	86.8	167.9	-175	0	0	0	0	0	113	S314 G318 K319	S314-G316 PolarHBondContact OG-N 3.47Å; G316-G318 PolarHBondContact O-N 3.35Å; G316-K319 PolarHBondContact O-N 3.39Å
317	R	85.6	Confident	92.6	Very high	227 Å²	227	80.6 Å²	80.6	86%	0.857	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	24.6	-178.1	-58.1	-177.8	179.4	178.9	-0.9	114.5	K319 R457	R317-K319 PolarHBondContact O-N 2.64Å; R317-R457 PolarHBondContact O-NH2 3.43Å
318	G	84.8	Confident	93.2	Very high	35 Å²	35	72 Å²	72	36%	0.361	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	8	-177.1	0	0	0	0	0	115.7	G316 Q338	G316-G318 PolarHBondContact O-N 3.35Å; G318-Q338 PolarHBondContact O-NE2 3.02Å; G318-Q338 PolarHBondContact O-OE1 2.74Å; G318-Q338 VanDerWaalsContact O-OE1 3.13Å
319	K	88.6	Confident	93.2	Very high	60 Å²	60	76.2 Å²	76.2	26%	0.261	38%	0.383	S	S	.	.			trans	-81.1	156.3	172.7	-66.9	-163.2	-176.4	-162.2	0	111.1	V315 G316 R317 E461 D462	V315-K319 HydrophobicContact CG2-CB 3.63Å; V315-K319 PolarHBondContact N-O 2.91Å; V315-K319 VanDerWaalsContact N-O 3.16Å; G316-K319 PolarHBondContact O-N 3.39Å; R317-K319 PolarHBondContact O-N 2.64Å; K319-E461 IonicContact NZ-OE2 3.28Å; K319-E461 PolarHBondContact NZ-OE2 3.43Å; K319-D462 IonicContact NZ-OD1 2.85Å; K319-D462 PolarHBondContact NZ-OD1 2.94Å
320	R	94.6	Very high	93.2	Very high	52 Å²	52	80 Å²	80	20%	0.196	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.2	-178.9	-68.7	-70.4	-167.7	157.8	-5.8	110.4	R284 R285 S312 R313 I336 Q338	R284-R320 PolarHBondContact O-NE 2.93Å; R284-R320 PolarHBondContact O-NH2 3.29Å; R285-R320 VanDerWaalsContact NH1-NH1 3.16Å; S312-R320 PolarHBondContact O-NH1 2.88Å; R313-R320 WeakPolarHBondContact O-CA 3.49Å; R320-I336 HydrophobicContact CB-CB 4.12Å; R320-I336 HydrophobicContact CB-CG2 3.61Å; R320-I336 HydrophobicContact CG-CG2 4.49Å; R320-Q338 HydrophobicContact CG-CG 4.38Å
321	Q	94.9	Very high	93.1	Very high	76 Å²	76	81.1 Å²	81.1	36%	0.355	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.6	169.5	70.4	-175.7	-21.7	0	0	110.3	S312 R313 V315	S312-Q321 VanDerWaalsContact CA-O 3.3Å; S312-Q321 WeakPolarHBondContact CA-O 3.29Å; R313-Q321 HydrophobicContact CG-CG 3.57Å; R313-Q321 PolarHBondContact N-O 3.28Å; R313-Q321 PolarHBondContact O-N 3.37Å; V315-Q321 HydrophobicContact CG1-CB 4.01Å; V315-Q321 HydrophobicContact CG1-CG 3.46Å; V315-Q321 VanDerWaalsContact CG1-CG 3.46Å
322	A	95.9	Very high	92.9	Very high	12 Å²	12	84.3 Å²	84.3	10%	0.099	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	145.4	173.3	0	0	0	0	0	110.9	M310 N334 I336	M310-A322 HydrophobicContact SD-CB 3.55Å; M310-A322 VanDerWaalsContact SD-CB 3.55Å; A322-N334 HydrophobicContact CB-CB 3.82Å; A322-N334 WeakPolarHBondContact CB-ND2 3.22Å; A322-N334 VanDerWaalsContact CB-O 3.28Å; A322-N334 WeakPolarHBondContact CB-O 3.41Å; A322-I336 HydrophobicContact CB-CD1 4.23Å; A322-I336 HydrophobicContact CB-CG1 4.23Å
323	T	95.4	Very high	92.8	Very high	52 Å²	52	87.9 Å²	87.9	32%	0.319	43%	0.429	S	S	.	.	S	Bend	trans	-90.2	-15.9	176.6	56.8	0	0	0	0	113.1	Q311 R313	Q311-T323 HydrophobicContact CB-CG2 4.21Å; Q311-T323 PolarHBondContact O-N 3.49Å; Q311-T323 PolarHBondContact O-OG1 3.2Å; Q311-T323 VanDerWaalsContact O-OG1 3.08Å; R313-T323 HydrophobicContact CB-CG2 4.07Å; R313-T323 HydrophobicContact CG-CG2 4.14Å
324	Q	94.3	Very high	92.8	Very high	121 Å²	121	83.3 Å²	83.3	57%	0.565	42%	0.415	S	S	*	.	S	Bend	trans	-137.6	167.7	-174.9	-63.9	-61.3	-20.8	0	0	110.7	M310 N334	M310-Q324 HydrophobicContact CE-CB 4.43Å; M310-Q324 WeakPolarHBondContact CE-O 3.33Å; Q324-N334 PolarHBondContact O-ND2 3.43Å
325	R	95.1	Very high	92.7	Very high	207 Å²	207	81.5 Å²	81.5	78%	0.781	40%	0.4	S	S	*	.			trans	-69.5	160.7	165.6	-66.1	-176.7	-179.1	178	0.3	110	M310	M310-R325 WeakPolarHBondContact CE-O 3.32Å
326	C	96.4	Very high	92.9	Very high	10 Å²	10	79.1 Å²	79.1	7%	0.068	38%	0.384	C	S	.	.			trans	-56	136.6	176.5	-67.5	0	0	0	0	111.6	C292 N328 N331 H333	C292-C326 VanDerWaalsContact CA-SG 3.52Å; C292-C326 HydrophobicContact CB-CB 3.93Å; C292-C326 WeakPolarHBondContact CB-SG 3.42Å; C292-C326 VanDerWaalsContact O-CB 3.29Å; C292-C326 WeakPolarHBondContact O-CB 3.26Å; C292-C326 WeakPolarHBondContact SG-CA 3.2Å; C292-C326 WeakPolarHBondContact SG-CB 3.44Å; C292-C326 CovalentContact SG-SG 2.04Å; C292-C326 PolarHBondContact SG-SG 2.76Å; C326-N328 WeakPolarHBondContact CB-O 3.47Å; C326-N328 PolarHBondContact O-N 3.49Å; C326-N331 WeakPolarHBondContact CB-O 3.4Å; C326-N331 PolarHBondContact SG-O 2.81Å; C326-H333 PolarHBondContact SG-O 2.78Å
327	P	94.6	Very high	93.3	Very high	40 Å²	40	78.6 Å²	78.6	26%	0.26	37%	0.371	S	S	.	.	S	Bend	trans	-56	-34.4	167.2	-30.9	38.3	0	0	0	113.2	C292 Y293 M309 T329	C292-P327 VanDerWaalsContact O-CD 3.24Å; C292-P327 WeakPolarHBondContact O-CD 3.4Å; Y293-P327 HydrophobicContact CD1-CG 4.2Å; Y293-P327 HydrophobicContact CD2-CB 3.99Å; Y293-P327 HydrophobicContact CD2-CG 3.74Å; Y293-P327 HydrophobicContact CE1-CG 4.49Å; Y293-P327 HydrophobicContact CE2-CB 4.32Å; Y293-P327 HydrophobicContact CE2-CG 4.06Å; Y293-P327 HydrophobicContact CG-CB 4.46Å; Y293-P327 HydrophobicContact CG-CG 3.81Å; M309-P327 HydrophobicContact CB-CG 3.7Å; M309-P327 HydrophobicContact CE-CB 3.68Å; M309-P327 HydrophobicContact CE-CG 3.96Å; M309-P327 HydrophobicContact SD-CB 4.26Å; M309-P327 HydrophobicContact SD-CG 4.38Å; P327-T329 PolarHBondContact O-N 2.79Å
328	N	95.2	Very high	93.8	Very high	43 Å²	43	68.5 Å²	68.5	23%	0.23	33%	0.334	C	S	.	.	S	Bend	trans	-73.8	108.2	165.2	-177.4	5	0	0	0	109.8	D291 C292 P294 C326 Q330 N331	D291-N328 VanDerWaalsContact O-CB 3.22Å; D291-N328 WeakPolarHBondContact O-CB 3.37Å; D291-N328 PolarHBondContact O-ND2 3.15Å; C292-N328 PolarHBondContact O-N 3.48Å; P294-N328 HydrophobicContact CG-CB 3.91Å; C326-N328 WeakPolarHBondContact CB-O 3.47Å; C326-N328 PolarHBondContact O-N 3.49Å; N328-Q330 PolarHBondContact O-N 2.91Å; N328-Q330 VanDerWaalsContact O-N 3.16Å; N328-Q330 WeakPolarHBondContact OD1-CB 3.3Å; N328-Q330 PolarHBondContact OD1-N 2.95Å; N328-N331 PolarHBondContact O-N 2.87Å; N328-N331 VanDerWaalsContact O-N 3.13Å
329	T	92.8	Very high	94.3	Very high	119 Å²	119	67 Å²	67	73%	0.73	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-15.8	-178.9	54.8	0	0	0	0	113.7	P327	P327-T329 PolarHBondContact O-N 2.79Å
330	Q	93.3	Very high	94.6	Very high	165 Å²	165	66.3 Å²	66.3	77%	0.771	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.3	177.2	-58.8	-176.3	-10.2	0	0	113	N328	N328-Q330 PolarHBondContact O-N 2.91Å; N328-Q330 VanDerWaalsContact O-N 3.16Å; N328-Q330 WeakPolarHBondContact OD1-CB 3.3Å; N328-Q330 PolarHBondContact OD1-N 2.95Å
331	N	91.4	Very high	94.6	Very high	25 Å²	25	67.4 Å²	67.4	13%	0.134	33%	0.332	C	S	.	.			trans	-112.1	128.8	-179.8	-166.9	-7.7	0	0	0	111.1	D291 C292 C326 N328 H333	D291-N331 WeakPolarHBondContact CB-ND2 3.29Å; D291-N331 PolarHBondContact O-ND2 3.28Å; C292-N331 PolarHBondContact N-ND2 2.92Å; C326-N331 WeakPolarHBondContact CB-O 3.4Å; C326-N331 PolarHBondContact SG-O 2.81Å; N328-N331 PolarHBondContact O-N 2.87Å; N328-N331 VanDerWaalsContact O-N 3.13Å; N331-H333 WeakPolarHBondContact OD1-CB 3.38Å; N331-H333 PolarHBondContact OD1-N 2.94Å
332	Y	90.6	Very high	94.6	Very high	182 Å²	182	65.6 Å²	65.6	71%	0.714	33%	0.328	S	S	*	.			trans	-101.3	-9.3	177.9	-57.3	-80.8	0	0	0	112.8	N334	Y332-N334 PolarHBondContact O-N 3.44Å
333	H	92.6	Very high	94.5	Very high	85 Å²	85	66.3 Å²	66.3	39%	0.394	33%	0.328	S	S	.	.			trans	-85.7	96.9	-178.9	-61.6	-72.1	0	0	0	111	C326 N331 R469	C326-H333 PolarHBondContact SG-O 2.78Å; N331-H333 WeakPolarHBondContact OD1-CB 3.38Å; N331-H333 PolarHBondContact OD1-N 2.94Å; H333-R469 PolarHBondContact ND1-NH1 3.47Å
334	N	95	Very high	94.5	Very high	49 Å²	49	64.9 Å²	64.9	26%	0.262	32%	0.317	S	S	.	.			trans	-105.5	33.3	178.2	64.8	-7.3	0	0	0	112.6	A322 Q324 Y332	A322-N334 HydrophobicContact CB-CB 3.82Å; A322-N334 WeakPolarHBondContact CB-ND2 3.22Å; A322-N334 VanDerWaalsContact CB-O 3.28Å; A322-N334 WeakPolarHBondContact CB-O 3.41Å; Q324-N334 PolarHBondContact O-ND2 3.43Å; Y332-N334 PolarHBondContact O-N 3.44Å
335	D	94.8	Very high	94.5	Very high	41 Å²	41	59.2 Å²	59.2	22%	0.219	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-60.3	137.9	178.6	-57.4	-58.7	0	0	0	110.2	Y337 H466 R469	D335-Y337 HydrophobicContact CB-CE2 3.95Å; D335-Y337 WeakPolarHBondContact O-CD2 3.03Å; D335-Y337 WeakPolarHBondContact O-CE2 3.46Å; D335-H466 IonicContact OD2-CE1 3.54Å; D335-R469 IonicContact OD1-NH1 3.33Å; D335-R469 PolarHBondContact OD1-NH1 3.31Å; D335-R469 IonicContact OD1-NH2 3.94Å; D335-R469 IonicContact OD2-NH1 2.78Å; D335-R469 PolarHBondContact OD2-NH1 3.38Å
336	I	96.1	Very high	94.3	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.128	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-98.4	123.6	-179.4	-64.3	-70.4	0	0	0	109.8	R285 V288 R320 A322 Q338	R285-I336 WeakPolarHBondContact O-CG2 3.36Å; V288-I336 HydrophobicContact CG1-CD1 3.55Å; R320-I336 HydrophobicContact CB-CB 4.12Å; R320-I336 HydrophobicContact CB-CG2 3.61Å; R320-I336 HydrophobicContact CG-CG2 4.49Å; A322-I336 HydrophobicContact CB-CD1 4.23Å; A322-I336 HydrophobicContact CB-CG1 4.23Å; I336-Q338 HydrophobicContact CG2-CG 4.38Å
337	Y	97.1	Very high	94.1	Very high	25 Å²	25	51.7 Å²	51.7	10%	0.098	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-102.4	134	179	-61.4	-97.1	0	0	0	110.2	I242 M250 P252 L254 G286 V287 T289 D335 H466	I242-Y337 HydrophobicContact CD1-CD1 4.28Å; I242-Y337 HydrophobicContact CG2-CD1 4.44Å; M250-Y337 HydrophobicContact CE-CD1 4.03Å; M250-Y337 HydrophobicContact CE-CE1 3.37Å; P252-Y337 HydrophobicContact CB-CD1 3.99Å; P252-Y337 HydrophobicContact CB-CD2 4.49Å; P252-Y337 HydrophobicContact CB-CE1 3.5Å; P252-Y337 VanDerWaalsContact CB-CE1 3.5Å; P252-Y337 HydrophobicContact CB-CE2 4.11Å; P252-Y337 HydrophobicContact CB-CG 4.45Å; P252-Y337 HydrophobicContact CG-CD1 3.71Å; P252-Y337 HydrophobicContact CG-CE1 3.48Å; P252-Y337 VanDerWaalsContact CG-CE1 3.48Å; P252-Y337 HydrophobicContact CG-CG 4.46Å; L254-Y337 HydrophobicContact CD2-CD1 4.34Å; L254-Y337 HydrophobicContact CD2-CD2 3.72Å; L254-Y337 HydrophobicContact CD2-CG 3.61Å; G286-Y337 CarbonylContact C-O 3.15Å; G286-Y337 WeakPolarHBondContact CA-O 3.49Å; V287-Y337 PolarHBondContact N-O 2.85Å; V287-Y337 PolarHBondContact O-N 3.26Å; T289-Y337 HydrophobicContact CG2-CD2 4.37Å; T289-Y337 HydrophobicContact CG2-CE2 3.7Å; D335-Y337 HydrophobicContact CB-CE2 3.95Å; D335-Y337 WeakPolarHBondContact O-CD2 3.03Å; D335-Y337 WeakPolarHBondContact O-CE2 3.46Å; Y337-H466 PolarHBondContact OH-CE1 3.37Å
338	Q	96.4	Very high	94	Very high	15 Å²	15	53.5 Å²	53.5	7%	0.07	28%	0.277	C	S	.	.			trans	-124.1	159.5	-178.6	-66.7	177.4	-97.8	0	0	110.9	L282 R283 G318 R320 I336 R457	L282-Q338 WeakPolarHBondContact O-CA 3.02Å; R283-Q338 PolarHBondContact O-NE2 2.94Å; G318-Q338 PolarHBondContact O-NE2 3.02Å; G318-Q338 PolarHBondContact O-OE1 2.74Å; G318-Q338 VanDerWaalsContact O-OE1 3.13Å; R320-Q338 HydrophobicContact CG-CG 4.38Å; I336-Q338 HydrophobicContact CG2-CG 4.38Å; Q338-R457 HydrophobicContact CB-CB 4.11Å; Q338-R457 VanDerWaalsContact O-CB 3.31Å; Q338-R457 WeakPolarHBondContact O-CB 3.41Å; Q338-R457 PolarHBondContact O-N 3.48Å
339	S	95.9	Very high	94	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.028	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-109.3	165.7	170.5	66.9	0	0	0	0	112.2	R283 W455	R283-S339 WeakPolarHBondContact CA-O 3.33Å; R283-S339 PolarHBondContact N-OG 2.64Å; S339-W455 WeakPolarHBondContact CA-O 3.41Å
340	T	94.8	Very high	94.1	Very high	44 Å²	44	53.5 Å²	53.5	27%	0.27	27%	0.265	S	S	.	.			trans	-71.9	174.8	161.2	67.9	0	0	0	0	109.9	W455	T340-W455 HydrophobicContact CG2-CB 3.83Å; T340-W455 PolarHBondContact N-O 3.34Å; T340-W455 WeakPolarHBondContact OG1-CB 3.36Å; T340-W455 PolarHBondContact OG1-N 2.99Å; T340-W455 PolarHBondContact OG1-O 3.24Å; T340-W455 VanDerWaalsContact OG1-O 3.11Å
341	P	93.8	Very high	94.1	Very high	75 Å²	75	46.5 Å²	46.5	49%	0.487	23%	0.233	S	C	.	.			trans	-52.4	134.1	166.1	-23.8	34.3	0	0	0	111.3
342	P	94.4	Very high	94.4	Very high	39 Å²	39	45.3 Å²	45.3	25%	0.253	23%	0.226	S	C	.	.			trans	-70.4	159.6	170.6	34.9	-39.4	0	0	0	110	W279 I452	W279-P342 HydrophobicContact CB-CB 3.89Å; W279-P342 HydrophobicContact CB-CG 3.63Å; W279-P342 HydrophobicContact CD2-CB 4.35Å; W279-P342 HydrophobicContact CG-CB 3.9Å; W279-P342 HydrophobicContact CG-CG 4.19Å; P342-I452 HydrophobicContact CB-CG2 3.76Å
343	Y	94.6	Very high	94.7	Very high	26 Å²	26	37.2 Å²	37.2	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.2	174.1	51.6	-85	0	0	0	110.5	I192 L345 E355 I452 G453 W455	I192-Y343 HydrophobicContact CB-CD2 4.11Å; I192-Y343 VanDerWaalsContact CD1-CB 3.48Å; I192-Y343 HydrophobicContact CD1-CD1 4.07Å; I192-Y343 HydrophobicContact CD1-CD2 3.55Å; I192-Y343 HydrophobicContact CD1-CE2 4.22Å; I192-Y343 HydrophobicContact CD1-CG 3.42Å; I192-Y343 VanDerWaalsContact CD1-CG 3.42Å; I192-Y343 HydrophobicContact CG1-CD2 4.06Å; I192-Y343 HydrophobicContact CG1-CG 4.15Å; Y343-L345 HydrophobicContact CD2-CD2 4Å; Y343-L345 HydrophobicContact CE2-CD2 3.76Å; Y343-E355 PolarHBondContact OH-OE1 3.46Å; Y343-E355 PolarHBondContact OH-OE2 2.78Å; Y343-I452 WeakPolarHBondContact O-CA 3.32Å; Y343-G453 WeakPolarHBondContact CD1-O 3.1Å; Y343-G453 VanDerWaalsContact CE1-C 3.43Å; Y343-G453 WeakPolarHBondContact CE1-O 3.48Å; Y343-G453 PolarHBondContact N-O 3.1Å; Y343-G453 PolarHBondContact O-N 3.49Å; Y343-W455 AromaticContact CE1-CD1 3.57Å; Y343-W455 AromaticContact CE1-NE1 3.68Å; Y343-W455 AromaticContact CZ-NE1 3.82Å; Y343-W455 PolarHBondContact OH-NE1 2.82Å
344	R	95.1	Very high	94.8	Very high	23 Å²	23	34.3 Å²	34.3	9%	0.087	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.5	175.5	-176.1	171.3	176.2	-108	-10.3	108.8	M187 M189 E191 I192 A449 F450 V451	M187-R344 PolarHBondContact O-NE 2.73Å; M187-R344 PolarHBondContact O-NH1 3.22Å; M189-R344 PolarHBondContact O-NH1 3.02Å; E191-R344 WeakPolarHBondContact CA-O 3.37Å; E191-R344 HydrophobicContact CG-CG 4.29Å; E191-R344 IonicContact OE1-CZ 2.74Å; E191-R344 VanDerWaalsContact OE1-CZ 3.28Å; E191-R344 IonicContact OE1-NH1 3.02Å; E191-R344 PolarHBondContact OE1-NH1 2.87Å; E191-R344 IonicContact OE1-NH2 3.13Å; E191-R344 PolarHBondContact OE1-NH2 3.49Å; I192-R344 PolarHBondContact N-O 2.91Å; R344-A449 PolarHBondContact NH2-O 3.02Å; R344-A449 VanDerWaalsContact NH2-O 3.07Å; R344-F450 HydrophobicContact CG-CE2 4.49Å; R344-V451 WeakPolarHBondContact CA-O 3.35Å
345	L	94.4	Very high	94.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	155.8	168.3	-59.5	176.5	0	0	0	109.5	M194 Y343 I352 E355 V362 V451	M194-L345 HydrophobicContact CE-CD2 3.88Å; Y343-L345 HydrophobicContact CD2-CD2 4Å; Y343-L345 HydrophobicContact CE2-CD2 3.76Å; L345-I352 HydrophobicContact CD1-CG1 4.42Å; L345-E355 HydrophobicContact CD1-CB 3.77Å; L345-E355 HydrophobicContact CD1-CG 3.65Å; L345-E355 HydrophobicContact CD2-CB 4.13Å; L345-E355 HydrophobicContact CD2-CG 3.99Å; L345-E355 HydrophobicContact CG-CG 4.41Å; L345-V362 HydrophobicContact CD1-CG1 3.87Å; L345-V451 HydrophobicContact CB-CB 4.3Å; L345-V451 HydrophobicContact CD1-CB 4.34Å; L345-V451 HydrophobicContact CD1-CG1 3.69Å; L345-V451 HydrophobicContact CG-CG1 4.44Å; L345-V451 PolarHBondContact N-O 3.29Å
346	S	92	Very high	95	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.035	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-64.5	158.5	167.9	71	0	0	0	0	111.1	E191 N348 E351	E191-S346 WeakPolarHBondContact OE2-CA 3.35Å; E191-S346 WeakPolarHBondContact OE2-CB 3.34Å; S346-N348 PolarHBondContact O-N 3.48Å; S346-N348 VanDerWaalsContact O-N 3.13Å; S346-N348 VanDerWaalsContact OG-CB 3.32Å; S346-N348 WeakPolarHBondContact OG-CB 3.34Å; S346-N348 PolarHBondContact OG-N 2.78Å; S346-E351 PolarHBondContact OG-OE1 2.59Å; S346-E351 PolarHBondContact OG-OE2 2.78Å
347	S	91.9	Very high	95	Very high	55 Å²	55	30.4 Å²	30.4	39%	0.385	16%	0.16	S	C	.	.	S	Bend	trans	-74.6	11.9	171.4	-62.7	0	0	0	0	112.9	E349 E448 A449	S347-E349 PolarHBondContact O-N 2.63Å; S347-E448 WeakPolarHBondContact CA-O 3.04Å; S347-E448 VanDerWaalsContact CB-O 3.28Å; S347-E448 WeakPolarHBondContact CB-O 3.31Å; S347-E448 PolarHBondContact OG-O 2.96Å; S347-A449 PolarHBondContact OG-O 3.45Å
348	N	92.9	Very high	94.9	Very high	77 Å²	77	32.4 Å²	32.4	41%	0.412	17%	0.173	S	C	.	.			trans	-75.8	118	175.6	-171.6	-51.8	0	0	0	110.1	S346 K350 E351 I352	S346-N348 PolarHBondContact O-N 3.48Å; S346-N348 VanDerWaalsContact O-N 3.13Å; S346-N348 VanDerWaalsContact OG-CB 3.32Å; S346-N348 WeakPolarHBondContact OG-CB 3.34Å; S346-N348 PolarHBondContact OG-N 2.78Å; N348-K350 PolarHBondContact O-N 3.3Å; N348-K350 VanDerWaalsContact O-N 3.13Å; N348-K350 WeakPolarHBondContact OD1-CB 3.05Å; N348-K350 PolarHBondContact OD1-N 3.05Å; N348-E351 HydrophobicContact CB-CB 4.18Å; N348-E351 HydrophobicContact CB-CG 3.99Å; N348-E351 PolarHBondContact O-N 3.4Å; N348-I352 PolarHBondContact O-N 2.91Å; N348-I352 VanDerWaalsContact O-N 3.1Å
349	E	94.7	Very high	94.9	Very high	36 Å²	36	33.1 Å²	33.1	17%	0.168	18%	0.177	C	C	.	.	H	α-helix	trans	-43.4	-47.7	176.4	-176.4	-167.1	166.1	0	0	112.6	S347 I352 M353 K418 W420 R440	S347-E349 PolarHBondContact O-N 2.63Å; E349-I352 PolarHBondContact O-N 3.36Å; E349-M353 HydrophobicContact CG-SD 4.07Å; E349-M353 VanDerWaalsContact O-CG 3.22Å; E349-M353 WeakPolarHBondContact O-CG 3.4Å; E349-M353 PolarHBondContact O-N 3.24Å; E349-K418 IonicContact OE1-NZ 3.4Å; E349-K418 PolarHBondContact OE1-NZ 3.47Å; E349-K418 IonicContact OE2-NZ 2.58Å; E349-W420 HydrophobicContact CG-CZ2 4.24Å; E349-R440 HydrophobicContact CG-CG 3.81Å; E349-R440 IonicContact OE1-CZ 3.48Å; E349-R440 IonicContact OE1-NH1 2.56Å; E349-R440 PolarHBondContact OE1-NH1 3.07Å
350	K	93.9	Very high	95	Very high	127 Å²	127	33 Å²	33	55%	0.552	18%	0.175	S	C	*	.	H	α-helix	trans	-71.6	-33.7	-175.4	-64.6	-177.9	178.9	178.3	0	112.9	M196 L203 N348 M353 K354	M196-K350 HydrophobicContact CE-CB 4.32Å; L203-K350 HydrophobicContact CD1-CB 3.84Å; L203-K350 HydrophobicContact CD1-CG 4.13Å; N348-K350 PolarHBondContact O-N 3.3Å; N348-K350 VanDerWaalsContact O-N 3.13Å; N348-K350 WeakPolarHBondContact OD1-CB 3.05Å; N348-K350 PolarHBondContact OD1-N 3.05Å; K350-M353 PolarHBondContact O-N 3.13Å; K350-K354 WeakPolarHBondContact O-CB 2.84Å; K350-K354 PolarHBondContact O-N 2.82Å
351	E	94	Very high	95.1	Very high	18 Å²	18	30.9 Å²	30.9	8%	0.084	16%	0.163	C	C	.	.	H	α-helix	trans	-70.9	-40.5	176.8	-65.9	-174.3	-147.4	0	0	110.7	M194 M196 S346 N348 M353 K354 E355	M194-E351 HydrophobicContact CB-CB 4.33Å; M194-E351 HydrophobicContact CB-CG 4.06Å; M194-E351 HydrophobicContact CG-CB 4.11Å; M194-E351 HydrophobicContact CG-CG 4.35Å; M194-E351 PolarHBondContact N-OE2 3.2Å; M194-E351 HydrophobicContact SD-CB 4.21Å; M196-E351 HydrophobicContact CG-CG 4.33Å; S346-E351 PolarHBondContact OG-OE1 2.59Å; S346-E351 PolarHBondContact OG-OE2 2.78Å; N348-E351 HydrophobicContact CB-CB 4.18Å; N348-E351 HydrophobicContact CB-CG 3.99Å; N348-E351 PolarHBondContact O-N 3.4Å; E351-M353 VanDerWaalsContact C-N 3.34Å; E351-M353 PolarHBondContact O-N 3.45Å; E351-K354 PolarHBondContact O-N 2.83Å; E351-E355 PolarHBondContact O-N 3.4Å
352	I	96.8	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-45.9	172.6	-61.2	164.5	0	0	0	110.2	L345 N348 E349 K354 E355 I356 V362 W420 E448 V451	L345-I352 HydrophobicContact CD1-CG1 4.42Å; N348-I352 PolarHBondContact O-N 2.91Å; N348-I352 VanDerWaalsContact O-N 3.1Å; E349-I352 PolarHBondContact O-N 3.36Å; I352-K354 PolarHBondContact O-N 3.18Å; I352-E355 PolarHBondContact O-N 2.94Å; I352-I356 HydrophobicContact CG2-CD1 3.85Å; I352-I356 WeakPolarHBondContact O-CD1 3.41Å; I352-I356 VanDerWaalsContact O-CG1 3.28Å; I352-I356 WeakPolarHBondContact O-CG1 3.49Å; I352-I356 PolarHBondContact O-N 3Å; I352-I356 VanDerWaalsContact O-N 3.08Å; I352-V362 HydrophobicContact CG2-CG2 4.34Å; I352-W420 HydrophobicContact CB-CH2 3.86Å; I352-W420 HydrophobicContact CB-CZ2 4.2Å; I352-W420 HydrophobicContact CG2-CH2 3.57Å; I352-W420 HydrophobicContact CG2-CZ2 3.98Å; I352-W420 HydrophobicContact CG2-CZ3 4.13Å; I352-E448 HydrophobicContact CD1-CB 4.15Å; I352-E448 HydrophobicContact CD1-CG 4.25Å; I352-V451 HydrophobicContact CD1-CG2 3.9Å; I352-V451 HydrophobicContact CG1-CG2 4.35Å; I352-V451 HydrophobicContact CG2-CG1 4.43Å
353	M	97.1	Very high	95.6	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.059	13%	0.128	C	C	.	.	H	α-helix	trans	-58.1	-46.3	175.1	-69.6	164.5	78.2	0	0	111.6	L203 E349 K350 E351 I356 M357 W406 W420	L203-M353 HydrophobicContact CB-CE 3.82Å; L203-M353 HydrophobicContact CD1-CB 3.78Å; L203-M353 HydrophobicContact CD1-CE 3.94Å; L203-M353 HydrophobicContact CD1-CG 4.49Å; L203-M353 HydrophobicContact CD1-SD 3.94Å; L203-M353 HydrophobicContact CD2-CB 4.28Å; L203-M353 HydrophobicContact CG-CE 4.46Å; E349-M353 HydrophobicContact CG-SD 4.07Å; E349-M353 VanDerWaalsContact O-CG 3.22Å; E349-M353 WeakPolarHBondContact O-CG 3.4Å; E349-M353 PolarHBondContact O-N 3.24Å; K350-M353 PolarHBondContact O-N 3.13Å; E351-M353 VanDerWaalsContact C-N 3.34Å; E351-M353 PolarHBondContact O-N 3.45Å; M353-I356 PolarHBondContact O-N 2.61Å; M353-M357 WeakPolarHBondContact O-CB 3.38Å; M353-M357 PolarHBondContact O-N 3.06Å; M353-W406 HydrophobicContact CB-CD2 4.34Å; M353-W406 HydrophobicContact CB-CE3 4.14Å; M353-W406 HydrophobicContact CB-CH2 3.94Å; M353-W406 HydrophobicContact CB-CZ2 4.12Å; M353-W406 HydrophobicContact CB-CZ3 3.95Å; M353-W406 HydrophobicContact CE-CD2 3.96Å; M353-W406 HydrophobicContact CE-CG 4.11Å; M353-W406 HydrophobicContact CE-CZ2 3.85Å; M353-W406 HydrophobicContact CG-CD2 3.89Å; M353-W406 HydrophobicContact CG-CE3 3.99Å; M353-W406 HydrophobicContact CG-CG 4.36Å; M353-W406 HydrophobicContact CG-CZ2 4.4Å; M353-W406 HydrophobicContact CG-CZ3 4.32Å; M353-W406 VanDerWaalsContact O-CH2 3.29Å; M353-W406 WeakPolarHBondContact O-CH2 3.41Å; M353-W406 VanDerWaalsContact O-CZ3 3.26Å; M353-W406 WeakPolarHBondContact O-CZ3 3.46Å; M353-W420 HydrophobicContact CB-CH2 4.47Å; M353-W420 HydrophobicContact CG-CH2 3.52Å; M353-W420 HydrophobicContact CG-CZ3 3.79Å
354	K	95	Very high	95.8	Very high	24 Å²	24	24.4 Å²	24.4	10%	0.104	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-45.4	-179.5	-173.2	65.2	157.2	84.7	0	111.8	M194 M196 D201 L203 K350 E351 I352 I356 M357 D358	M194-K354 HydrophobicContact SD-CB 4.02Å; M194-K354 HydrophobicContact SD-CG 4.26Å; M196-K354 HydrophobicContact CE-CB 4.14Å; M196-K354 HydrophobicContact CE-CD 4.35Å; M196-K354 HydrophobicContact CE-CG 4.39Å; M196-K354 HydrophobicContact SD-CB 3.52Å; M196-K354 VanDerWaalsContact SD-CB 3.52Å; M196-K354 HydrophobicContact SD-CD 3.95Å; M196-K354 HydrophobicContact SD-CG 3.49Å; M196-K354 WeakPolarHBondContact SD-CG 3.41Å; D201-K354 WeakPolarHBondContact OD1-CE 3.12Å; D201-K354 IonicContact OD1-NZ 3.54Å; D201-K354 PolarHBondContact OD1-NZ 2.82Å; L203-K354 HydrophobicContact CD2-CB 4.38Å; L203-K354 HydrophobicContact CD2-CD 4.14Å; K350-K354 WeakPolarHBondContact O-CB 2.84Å; K350-K354 PolarHBondContact O-N 2.82Å; E351-K354 PolarHBondContact O-N 2.83Å; I352-K354 PolarHBondContact O-N 3.18Å; K354-I356 VanDerWaalsContact C-N 3.33Å; K354-I356 PolarHBondContact O-N 2.03Å; K354-M357 HydrophobicContact CD-CE 3.83Å; K354-M357 WeakPolarHBondContact O-CB 3.17Å; K354-M357 PolarHBondContact O-N 3.2Å; K354-D358 IonicContact NZ-OD1 3.28Å; K354-D358 PolarHBondContact NZ-OD1 2.84Å; K354-D358 IonicContact NZ-OD2 3.28Å; K354-D358 PolarHBondContact NZ-OD2 2.89Å; K354-D358 PolarHBondContact O-N 3.11Å
355	E	96.4	Very high	95.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-46.7	177.4	176.4	50.4	-162.7	0	0	111.8	M194 R241 Y343 L345 E351 I352 M357 D358 N359 G360 V362	M194-E355 HydrophobicContact CE-CB 3.4Å; M194-E355 VanDerWaalsContact CE-CB 3.4Å; M194-E355 HydrophobicContact CE-CG 3.96Å; M194-E355 WeakPolarHBondContact CE-OE2 3.34Å; M194-E355 HydrophobicContact SD-CB 3.9Å; R241-E355 IonicContact CZ-OE1 3.18Å; R241-E355 IonicContact NH1-OE1 2.7Å; R241-E355 PolarHBondContact NH1-OE1 3.28Å; R241-E355 IonicContact NH2-OE1 2.61Å; R241-E355 PolarHBondContact NH2-OE1 3.2Å; Y343-E355 PolarHBondContact OH-OE1 3.46Å; Y343-E355 PolarHBondContact OH-OE2 2.78Å; L345-E355 HydrophobicContact CD1-CB 3.77Å; L345-E355 HydrophobicContact CD1-CG 3.65Å; L345-E355 HydrophobicContact CD2-CB 4.13Å; L345-E355 HydrophobicContact CD2-CG 3.99Å; L345-E355 HydrophobicContact CG-CG 4.41Å; E351-E355 PolarHBondContact O-N 3.4Å; I352-E355 PolarHBondContact O-N 2.94Å; E355-M357 VanDerWaalsContact C-N 3.3Å; E355-M357 PolarHBondContact O-N 3.08Å; E355-D358 PolarHBondContact O-N 2.62Å; E355-N359 PolarHBondContact O-N 3.45Å; E355-N359 PolarHBondContact OE2-ND2 3.35Å; E355-G360 PolarHBondContact O-N 3.08Å; E355-V362 HydrophobicContact CB-CG1 4.38Å; E355-V362 HydrophobicContact CG-CG1 3.55Å
356	I	97.9	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-42.5	177.6	-65.8	164.8	0	0	0	110.2	F207 W213 I352 M353 K354 G360 V362 I403 W406 W420	F207-I356 HydrophobicContact CD1-CG2 4.05Å; F207-I356 HydrophobicContact CE1-CG2 3.69Å; W213-I356 WeakPolarHBondContact CH2-O 3.14Å; I352-I356 HydrophobicContact CG2-CD1 3.85Å; I352-I356 WeakPolarHBondContact O-CD1 3.41Å; I352-I356 VanDerWaalsContact O-CG1 3.28Å; I352-I356 WeakPolarHBondContact O-CG1 3.49Å; I352-I356 PolarHBondContact O-N 3Å; I352-I356 VanDerWaalsContact O-N 3.08Å; M353-I356 PolarHBondContact O-N 2.61Å; K354-I356 VanDerWaalsContact C-N 3.33Å; K354-I356 PolarHBondContact O-N 2.03Å; I356-G360 WeakPolarHBondContact CA-O 3.37Å; I356-G360 WeakPolarHBondContact O-CA 3.35Å; I356-G360 PolarHBondContact O-N 3.28Å; I356-G360 VanDerWaalsContact O-N 3.08Å; I356-V362 HydrophobicContact CD1-CG2 3.82Å; I356-V362 HydrophobicContact CG1-CB 4.43Å; I356-V362 HydrophobicContact CG1-CG1 3.92Å; I356-V362 HydrophobicContact CG1-CG2 3.77Å; I356-I403 HydrophobicContact CD1-CB 4.17Å; I356-I403 HydrophobicContact CD1-CG2 3.64Å; I356-W406 HydrophobicContact CB-CZ3 4.03Å; I356-W406 HydrophobicContact CG2-CZ3 3.97Å; I356-W420 HydrophobicContact CD1-CE3 4.45Å; I356-W420 HydrophobicContact CD1-CZ3 3.96Å
357	M	96	Very high	96.4	Very high	31 Å²	31	24.5 Å²	24.5	15%	0.153	13%	0.125	C	C	.	.	H	α-helix	trans	-61.8	-47	179.8	-161	170.3	60.6	0	0	112	L203 P204 F207 K212 W213 M353 K354 E355 W406	L203-M357 HydrophobicContact CD2-CE 3.71Å; L203-M357 HydrophobicContact CD2-SD 4.1Å; P204-M357 HydrophobicContact CG-SD 4.44Å; F207-M357 HydrophobicContact CD2-CG 4.02Å; F207-M357 HydrophobicContact CE2-CB 4.28Å; F207-M357 HydrophobicContact CE2-CG 3.67Å; F207-M357 HydrophobicContact CZ-CG 4.34Å; K212-M357 PolarHBondContact NZ-O 3.23Å; W213-M357 WeakPolarHBondContact CH2-O 3.01Å; M353-M357 WeakPolarHBondContact O-CB 3.38Å; M353-M357 PolarHBondContact O-N 3.06Å; K354-M357 HydrophobicContact CD-CE 3.83Å; K354-M357 WeakPolarHBondContact O-CB 3.17Å; K354-M357 PolarHBondContact O-N 3.2Å; E355-M357 VanDerWaalsContact C-N 3.3Å; E355-M357 PolarHBondContact O-N 3.08Å; M357-W406 HydrophobicContact CB-CH2 3.98Å; M357-W406 HydrophobicContact CG-CH2 4.4Å
358	D	94.4	Very high	96.7	Very high	68 Å²	68	21.9 Å²	21.9	36%	0.364	11%	0.106	S	C	.	.	H	α-helix	trans	-82.1	-43.2	-171.9	-71	-7.2	0	0	0	111.6	K354 E355	K354-D358 IonicContact NZ-OD1 3.28Å; K354-D358 PolarHBondContact NZ-OD1 2.84Å; K354-D358 IonicContact NZ-OD2 3.28Å; K354-D358 PolarHBondContact NZ-OD2 2.89Å; K354-D358 PolarHBondContact O-N 3.11Å; E355-D358 PolarHBondContact O-N 2.62Å
359	N	96.1	Very high	96.9	Very high	30 Å²	30	20 Å²	20	16%	0.16	10%	0.095	C	C	.	.	H	α-helix	trans	-121.9	-6.6	-161.4	-58.5	-56.6	0	0	0	113.8	R241 E355	R241-N359 WeakPolarHBondContact CD-O 3.31Å; R241-N359 PolarHBondContact NE-O 3.28Å; R241-N359 VanDerWaalsContact NH1-C 3.33Å; R241-N359 PolarHBondContact NH1-O 3.46Å; E355-N359 PolarHBondContact O-N 3.45Å; E355-N359 PolarHBondContact OE2-ND2 3.35Å
360	G	97.9	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.			trans	99.6	-171.9	175.3	0	0	0	0	0	115	R241 E355 I356	R241-G360 PolarHBondContact NE-O 2.65Å; R241-G360 PolarHBondContact NH2-O 3.08Å; E355-G360 PolarHBondContact O-N 3.08Å; I356-G360 WeakPolarHBondContact CA-O 3.37Å; I356-G360 WeakPolarHBondContact O-CA 3.35Å; I356-G360 PolarHBondContact O-N 3.28Å; I356-G360 VanDerWaalsContact O-N 3.08Å
361	P	98.6	Very high	97.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.			trans	-55.6	148	-169.7	-29.2	37.1	0	0	0	114.9	I217 D240 R241 R402 I403 L404	I217-P361 HydrophobicContact CD1-CG 3.87Å; D240-P361 HydrophobicContact CB-CG 4.24Å; R241-P361 VanDerWaalsContact CZ-O 3.25Å; R241-P361 PolarHBondContact NE-O 2.8Å; R241-P361 PolarHBondContact NH2-O 3.13Å; P361-R402 HydrophobicContact CB-CG 3.58Å; P361-I403 CarbonylContact C-O 3.55Å; P361-I403 WeakPolarHBondContact CA-O 3.41Å; P361-I403 WeakPolarHBondContact CB-O 3.46Å; P361-L404 HydrophobicContact CB-CB 4.18Å; P361-L404 HydrophobicContact CG-CB 3.93Å
362	V	98.7	Very high	97.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	157.1	179.1	-64.5	0	0	0	0	110.5	R241 L345 I352 E355 I356 R402 I403 V451	R241-V362 VanDerWaalsContact NH2-CG1 3.26Å; L345-V362 HydrophobicContact CD1-CG1 3.87Å; I352-V362 HydrophobicContact CG2-CG2 4.34Å; E355-V362 HydrophobicContact CB-CG1 4.38Å; E355-V362 HydrophobicContact CG-CG1 3.55Å; I356-V362 HydrophobicContact CD1-CG2 3.82Å; I356-V362 HydrophobicContact CG1-CB 4.43Å; I356-V362 HydrophobicContact CG1-CG1 3.92Å; I356-V362 HydrophobicContact CG1-CG2 3.77Å; V362-R402 CarbonylContact O-C 3.54Å; V362-R402 WeakPolarHBondContact O-CA 3.42Å; V362-I403 HydrophobicContact CG2-CB 3.85Å; V362-I403 HydrophobicContact CG2-CD1 4.46Å; V362-I403 HydrophobicContact CG2-CG1 4.43Å; V362-I403 PolarHBondContact N-O 3.41Å; V362-I403 PolarHBondContact O-N 2.92Å; V362-V451 HydrophobicContact CB-CG1 3.69Å; V362-V451 HydrophobicContact CG1-CG1 4.4Å; V362-V451 HydrophobicContact CG2-CG1 3.48Å; V362-V451 VanDerWaalsContact CG2-CG1 3.48Å
363	Q	98.7	Very high	97.5	Very high	4 Å²	4	12 Å²	12	2%	0.019	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.8	172.4	-169.7	-176.5	36.6	0	0	109.4	S233 T234 V237 V401 V451 I452	S233-Q363 PolarHBondContact OG-NE2 3.01Å; T234-Q363 PolarHBondContact OG1-NE2 3.41Å; V237-Q363 HydrophobicContact CG2-CB 4.03Å; Q363-V401 WeakPolarHBondContact CA-O 3.48Å; Q363-V451 CarbonylContact O-C 3.37Å; Q363-V451 WeakPolarHBondContact O-CA 3.47Å; Q363-I452 HydrophobicContact CB-CB 4.49Å; Q363-I452 PolarHBondContact N-O 3.04Å; Q363-I452 PolarHBondContact O-N 3.23Å
364	A	98.4	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	153.6	173.9	0	0	0	0	0	110.9	S400 V401 I403 I447 V451	A364-S400 CarbonylContact O-C 3.53Å; A364-S400 WeakPolarHBondContact O-CA 3.17Å; A364-S400 WeakPolarHBondContact O-CB 3.44Å; A364-V401 HydrophobicContact CB-CG2 4.22Å; A364-V401 PolarHBondContact N-O 2.9Å; A364-V401 PolarHBondContact O-N 3.07Å; A364-I403 HydrophobicContact CB-CD1 3.56Å; A364-I403 HydrophobicContact CB-CG1 3.85Å; A364-I447 HydrophobicContact CB-CG1 3.99Å; A364-V451 HydrophobicContact CB-CG2 4.27Å
365	I	98	Very high	97.7	Very high	12 Å²	12	10.4 Å²	10.4	6%	0.062	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.3	167.7	-62.1	-177	0	0	0	107.9	T179 P182 V275 T398 H399 I447 F450	T179-I365 HydrophobicContact CG2-CD1 4.01Å; T179-I365 HydrophobicContact CG2-CG1 4.18Å; T179-I365 HydrophobicContact CG2-CG2 4.45Å; P182-I365 HydrophobicContact CG-CD1 3.5Å; P182-I365 VanDerWaalsContact CG-CD1 3.5Å; V275-I365 HydrophobicContact CG1-CD1 4.44Å; V275-I365 HydrophobicContact CG2-CD1 3.85Å; I365-T398 HydrophobicContact CG2-CG2 3.19Å; I365-H399 CarbonylContact C-O 3.44Å; I365-H399 WeakPolarHBondContact CA-O 3.49Å; I365-I447 WeakPolarHBondContact O-CA 3.29Å; I365-F450 HydrophobicContact CB-CB 4.49Å; I365-F450 HydrophobicContact CD1-CD1 3.54Å; I365-F450 HydrophobicContact CD1-CE1 4.04Å; I365-F450 HydrophobicContact CD1-CG 4.36Å; I365-F450 HydrophobicContact CG1-CD1 3.97Å; I365-F450 PolarHBondContact N-O 3.21Å
366	M	98.1	Very high	97.8	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.4	174.6	65.1	178	-65.8	0	0	111.3	V368 F372 H399 V401 F436 I438 C445 I447	M366-V368 HydrophobicContact CE-CG2 4.22Å; M366-V368 HydrophobicContact CG-CG2 4.22Å; M366-V368 HydrophobicContact SD-CG2 4.43Å; M366-F372 HydrophobicContact CE-CE2 4.27Å; M366-F372 HydrophobicContact CE-CZ 4.23Å; M366-F372 HydrophobicContact SD-CZ 4.5Å; M366-H399 HydrophobicContact CG-CB 4.49Å; M366-H399 PolarHBondContact N-O 3.01Å; M366-H399 PolarHBondContact O-N 3.29Å; M366-V401 HydrophobicContact SD-CG1 4.07Å; M366-V401 HydrophobicContact SD-CG2 4.23Å; M366-F436 HydrophobicContact CE-CE2 4.47Å; M366-F436 HydrophobicContact SD-CE2 4.09Å; M366-F436 HydrophobicContact SD-CZ 3.77Å; M366-I438 HydrophobicContact CE-CD1 3.7Å; M366-C445 CarbonylContact C-O 3.57Å; M366-C445 WeakPolarHBondContact CA-O 3.01Å; M366-C445 HydrophobicContact CB-CB 4.45Å; M366-C445 WeakPolarHBondContact CB-O 3.42Å; M366-C445 HydrophobicContact CE-CB 3.96Å; M366-I447 HydrophobicContact CB-CB 4.02Å; M366-I447 HydrophobicContact CB-CG1 4.12Å; M366-I447 HydrophobicContact SD-CD1 4.29Å
367	E	98	Very high	97.8	Very high	18 Å²	18	16.3 Å²	16.3	8%	0.084	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.7	167.6	-68.3	-64.3	155.7	0	0	109.7	K181 H396 T398 C445 E446	K181-E367 IonicContact NZ-OE1 3.47Å; K181-E367 PolarHBondContact NZ-OE1 2.72Å; E367-H396 IonicContact OE2-CD2 2.89Å; E367-T398 PolarHBondContact OE1-OG1 2.86Å; E367-C445 PolarHBondContact N-O 3.16Å; E367-C445 WeakPolarHBondContact O-CB 3.48Å; E367-C445 PolarHBondContact O-SG 2.92Å; E367-E446 HydrophobicContact CG-CG 4.24Å
368	V	98.3	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.5	179.4	168.7	0	0	0	0	108.7	L177 M366 F372 F373 H396 G397 H399 W426	L177-V368 HydrophobicContact CD1-CB 3.89Å; L177-V368 HydrophobicContact CD1-CG1 4.01Å; L177-V368 HydrophobicContact CD2-CB 3.79Å; L177-V368 HydrophobicContact CD2-CG1 3.74Å; L177-V368 HydrophobicContact CD2-CG2 4.04Å; M366-V368 HydrophobicContact CE-CG2 4.22Å; M366-V368 HydrophobicContact CG-CG2 4.22Å; M366-V368 HydrophobicContact SD-CG2 4.43Å; V368-F372 HydrophobicContact CB-CD1 4.41Å; V368-F372 HydrophobicContact CG1-CB 4.03Å; V368-F372 HydrophobicContact CG1-CD1 3.69Å; V368-F372 HydrophobicContact CG1-CG 4.25Å; V368-F372 HydrophobicContact CG2-CD1 3.97Å; V368-F372 HydrophobicContact CG2-CE1 4.23Å; V368-F373 HydrophobicContact CG1-CD2 4.37Å; V368-F373 HydrophobicContact CG1-CE2 3.89Å; V368-F373 HydrophobicContact CG1-CZ 4.06Å; V368-H396 CarbonylContact O-C 3.2Å; V368-H396 WeakPolarHBondContact O-CA 3.44Å; V368-H396 VanDerWaalsContact O-CB 3.26Å; V368-H396 WeakPolarHBondContact O-CB 3.31Å; V368-G397 PolarHBondContact N-O 2.61Å; V368-G397 PolarHBondContact O-N 3.01Å; V368-H399 HydrophobicContact CB-CB 4.46Å; V368-H399 HydrophobicContact CG2-CB 3.53Å; V368-W426 HydrophobicContact CG1-CH2 4.32Å
369	H	97.8	Very high	98	Very high	39 Å²	39	13 Å²	13	18%	0.181	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-90.1	168.9	175.6	-69.4	-111.1	0	0	0	111.7	D371 F372 H382	H369-D371 WeakPolarHBondContact CB-OD1 3.47Å; H369-D371 PolarHBondContact O-N 2.74Å; H369-F372 WeakPolarHBondContact O-CB 3.46Å; H369-F372 PolarHBondContact O-N 3.37Å; H369-H382 VanDerWaalsContact CB-ND1 3.31Å; H369-H382 WeakPolarHBondContact CB-ND1 3.43Å; H369-H382 AromaticContact CE1-CD2 3.62Å; H369-H382 AromaticContact CE1-NE2 3.68Å; H369-H382 AromaticContact CG-CD2 3.87Å; H369-H382 AromaticContact CG-CE1 3.57Å; H369-H382 AromaticContact CG-CG 3.69Å; H369-H382 AromaticContact CG-ND1 3.49Å; H369-H382 AromaticContact CG-NE2 3.78Å; H369-H382 AromaticContact ND1-CD2 3.4Å; H369-H382 PolarHBondContact ND1-CD2 2.63Å; H369-H382 AromaticContact ND1-CE1 3.3Å; H369-H382 PolarHBondContact ND1-CE1 3.45Å; H369-H382 VanDerWaalsContact ND1-CE1 3.3Å; H369-H382 AromaticContact ND1-CG 3.72Å; H369-H382 AromaticContact ND1-ND1 3.65Å; H369-H382 AromaticContact ND1-NE2 3.09Å; H369-H382 PolarHBondContact ND1-NE2 3.39Å
370	E	96.8	Very high	98.1	Very high	12 Å²	12	11.6 Å²	11.6	6%	0.056	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.1	-176.9	72.2	-76.1	173.8	0	0	113.4	L169 H382 S386 Y393 K395	L169-E370 HydrophobicContact CD1-CB 3.82Å; L169-E370 HydrophobicContact CD2-CB 4.09Å; E370-H382 IonicContact OE1-CE1 2.65Å; E370-S386 WeakPolarHBondContact OE1-CB 3.22Å; E370-S386 PolarHBondContact OE1-OG 3.38Å; E370-Y393 WeakPolarHBondContact CG-O 3.35Å; E370-K395 PolarHBondContact N-O 3.43Å
371	D	97.6	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-23.8	-177.8	66.2	-15.6	0	0	0	112.8	V145 W156 H369 F373 V374 Y380 H382 T383	V145-D371 HydrophobicContact CG1-CB 4.22Å; W156-D371 HydrophobicContact CH2-CB 4.09Å; W156-D371 WeakPolarHBondContact CH2-O 3.46Å; W156-D371 HydrophobicContact CZ2-CB 4.32Å; H369-D371 WeakPolarHBondContact CB-OD1 3.47Å; H369-D371 PolarHBondContact O-N 2.74Å; D371-F373 VanDerWaalsContact C-N 3.28Å; D371-F373 PolarHBondContact O-N 2.94Å; D371-V374 WeakPolarHBondContact O-CG2 3.41Å; D371-V374 PolarHBondContact O-N 3.28Å; D371-Y380 PolarHBondContact OD1-OH 3.02Å; D371-H382 VanDerWaalsContact CG-ND1 3.31Å; D371-H382 IonicContact OD1-CE1 3.89Å; D371-H382 IonicContact OD1-ND1 3.16Å; D371-H382 PolarHBondContact OD1-ND1 2.9Å; D371-H382 IonicContact OD2-CE1 3.93Å; D371-H382 IonicContact OD2-ND1 3.7Å; D371-H382 PolarHBondContact OD2-ND1 2.91Å; D371-H382 VanDerWaalsContact OD2-ND1 3.16Å; D371-T383 PolarHBondContact OD2-N 2.91Å; D371-T383 PolarHBondContact OD2-OG1 3.41Å
372	F	98.6	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-66.3	-30.2	177.9	-173.5	-106.4	0	0	0	112.6	M366 V368 H369 V374 Y375 Y380 W426 W430 F436	M366-F372 HydrophobicContact CE-CE2 4.27Å; M366-F372 HydrophobicContact CE-CZ 4.23Å; M366-F372 HydrophobicContact SD-CZ 4.5Å; V368-F372 HydrophobicContact CB-CD1 4.41Å; V368-F372 HydrophobicContact CG1-CB 4.03Å; V368-F372 HydrophobicContact CG1-CD1 3.69Å; V368-F372 HydrophobicContact CG1-CG 4.25Å; V368-F372 HydrophobicContact CG2-CD1 3.97Å; V368-F372 HydrophobicContact CG2-CE1 4.23Å; H369-F372 WeakPolarHBondContact O-CB 3.46Å; H369-F372 PolarHBondContact O-N 3.37Å; F372-V374 PolarHBondContact O-N 3.18Å; F372-V374 VanDerWaalsContact O-N 3.13Å; F372-Y375 VanDerWaalsContact O-CB 3.26Å; F372-Y375 WeakPolarHBondContact O-CB 3.32Å; F372-Y375 PolarHBondContact O-N 2.99Å; F372-Y380 HydrophobicContact CB-CE1 4.37Å; F372-Y380 HydrophobicContact CB-CE2 4.02Å; F372-Y380 AromaticContact CD2-CD1 3.63Å; F372-Y380 HydrophobicContact CD2-CD1 3.63Å; F372-Y380 AromaticContact CD2-CD2 3.86Å; F372-Y380 HydrophobicContact CD2-CD2 3.86Å; F372-Y380 AromaticContact CD2-CE1 3.55Å; F372-Y380 HydrophobicContact CD2-CE1 3.55Å; F372-Y380 AromaticContact CD2-CE2 3.79Å; F372-Y380 HydrophobicContact CD2-CE2 3.79Å; F372-Y380 AromaticContact CD2-CG 3.78Å; F372-Y380 HydrophobicContact CD2-CG 3.78Å; F372-Y380 AromaticContact CD2-CZ 3.64Å; F372-Y380 AromaticContact CE2-CD1 3.96Å; F372-Y380 HydrophobicContact CE2-CD1 3.96Å; F372-Y380 HydrophobicContact CE2-CE1 4.26Å; F372-Y380 HydrophobicContact CE2-CG 4.13Å; F372-Y380 HydrophobicContact CG-CE1 4.33Å; F372-Y380 HydrophobicContact CG-CE2 4.42Å; F372-W426 AromaticContact CD1-CH2 3.77Å; F372-W426 HydrophobicContact CD1-CH2 3.77Å; F372-W426 HydrophobicContact CD1-CZ3 4.07Å; F372-W426 AromaticContact CE1-CH2 3.88Å; F372-W426 HydrophobicContact CE1-CH2 3.88Å; F372-W426 HydrophobicContact CE1-CZ3 4.07Å; F372-W430 HydrophobicContact CD1-CZ2 4.24Å; F372-W430 AromaticContact CE1-CH2 3.74Å; F372-W430 HydrophobicContact CE1-CH2 3.74Å; F372-W430 AromaticContact CE1-CZ2 3.84Å; F372-W430 HydrophobicContact CE1-CZ2 3.84Å; F372-W430 HydrophobicContact CE2-CH2 4.16Å; F372-W430 AromaticContact CZ-CH2 3.52Å; F372-W430 HydrophobicContact CZ-CH2 3.52Å; F372-W430 HydrophobicContact CZ-CZ2 4.01Å; F372-F436 AromaticContact CE2-CD2 3.74Å; F372-F436 HydrophobicContact CE2-CD2 3.74Å; F372-F436 AromaticContact CE2-CE2 3.96Å; F372-F436 HydrophobicContact CE2-CE2 3.96Å; F372-F436 HydrophobicContact CE2-CG 4.21Å; F372-F436 HydrophobicContact CZ-CD1 4.15Å; F372-F436 AromaticContact CZ-CD2 3.74Å; F372-F436 HydrophobicContact CZ-CD2 3.74Å; F372-F436 HydrophobicContact CZ-CE1 4.17Å; F372-F436 AromaticContact CZ-CE2 3.76Å; F372-F436 HydrophobicContact CZ-CE2 3.76Å; F372-F436 AromaticContact CZ-CG 3.93Å; F372-F436 HydrophobicContact CZ-CG 3.93Å; F372-F436 AromaticContact CZ-CZ 3.97Å; F372-F436 HydrophobicContact CZ-CZ 3.97Å
373	F	98.2	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.9	178.6	-72.3	-81.5	0	0	0	112.9	L140 L164 L169 I173 R176 L177 V368 D371 W426 W430	L140-F373 HydrophobicContact CD1-CB 4.04Å; L140-F373 HydrophobicContact CD1-CD1 3.71Å; L140-F373 HydrophobicContact CD1-CD2 3.55Å; L140-F373 HydrophobicContact CD1-CE1 3.95Å; L140-F373 HydrophobicContact CD1-CE2 3.81Å; L140-F373 HydrophobicContact CD1-CG 3.48Å; L140-F373 VanDerWaalsContact CD1-CG 3.48Å; L140-F373 HydrophobicContact CD1-CZ 3.99Å; L140-F373 HydrophobicContact CD2-CD1 4.14Å; L140-F373 HydrophobicContact CD2-CE1 4.5Å; L140-F373 HydrophobicContact CG-CB 4.27Å; L140-F373 HydrophobicContact CG-CD1 4.22Å; L140-F373 HydrophobicContact CG-CG 4.14Å; L164-F373 HydrophobicContact CD1-CB 4.47Å; L164-F373 HydrophobicContact CD1-CD1 4.48Å; L169-F373 HydrophobicContact CD1-CE2 4.4Å; I173-F373 HydrophobicContact CG1-CE2 4.32Å; I173-F373 HydrophobicContact CG1-CZ 4.25Å; R176-F373 HydrophobicContact CB-CE1 3.96Å; R176-F373 HydrophobicContact CG-CE1 4.34Å; L177-F373 HydrophobicContact CD1-CE2 4.49Å; L177-F373 HydrophobicContact CD1-CZ 3.96Å; L177-F373 HydrophobicContact CD2-CE1 4.3Å; L177-F373 HydrophobicContact CD2-CZ 3.98Å; L177-F373 HydrophobicContact CG-CZ 4Å; V368-F373 HydrophobicContact CG1-CD2 4.37Å; V368-F373 HydrophobicContact CG1-CE2 3.89Å; V368-F373 HydrophobicContact CG1-CZ 4.06Å; D371-F373 VanDerWaalsContact C-N 3.28Å; D371-F373 PolarHBondContact O-N 2.94Å; F373-W426 AromaticContact CD1-CH2 3.81Å; F373-W426 HydrophobicContact CD1-CH2 3.81Å; F373-W426 HydrophobicContact CD1-CZ2 4.45Å; F373-W426 HydrophobicContact CD1-CZ3 4.1Å; F373-W426 AromaticContact CE1-CH2 3.91Å; F373-W426 HydrophobicContact CE1-CH2 3.91Å; F373-W426 HydrophobicContact CE1-CZ2 4.16Å; F373-W430 PolarHBondContact O-NE1 3.13Å; F373-W430 VanDerWaalsContact O-NE1 3.11Å
374	V	98.2	Very high	97.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-95.7	3.9	178.6	-63.1	0	0	0	0	113.4	I141 V145 I146 A158 A159 D371 F372 K376	I141-V374 HydrophobicContact CD1-CG1 3.62Å; I141-V374 HydrophobicContact CG2-CG1 4.32Å; V145-V374 HydrophobicContact CG1-CG2 4.21Å; I146-V374 HydrophobicContact CD1-CB 4.49Å; I146-V374 HydrophobicContact CD1-CG1 4.04Å; I146-V374 HydrophobicContact CG1-CB 3.95Å; I146-V374 HydrophobicContact CG1-CG1 3.82Å; I146-V374 HydrophobicContact CG1-CG2 4.22Å; A158-V374 CarbonylContact C-O 3.51Å; A158-V374 WeakPolarHBondContact CA-O 3.34Å; A158-V374 HydrophobicContact CB-CB 4.16Å; A158-V374 HydrophobicContact CB-CG2 3.79Å; A159-V374 PolarHBondContact N-O 3.31Å; A159-V374 WeakPolarHBondContact O-CB 3.1Å; D371-V374 WeakPolarHBondContact O-CG2 3.41Å; D371-V374 PolarHBondContact O-N 3.28Å; F372-V374 PolarHBondContact O-N 3.18Å; F372-V374 VanDerWaalsContact O-N 3.13Å; V374-K376 PolarHBondContact O-N 3.47Å
375	Y	98.7	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	129.1	177.3	170.1	-90.3	0	0	0	112.1	W156 Y161 F372 G378 Y380 W430 E432 F436 R437	W156-Y375 HydrophobicContact CB-CD2 4.48Å; W156-Y375 HydrophobicContact CB-CE2 4.36Å; W156-Y375 AromaticContact CE3-CD2 3.95Å; W156-Y375 HydrophobicContact CE3-CD2 3.95Å; Y161-Y375 PolarHBondContact OH-O 3.39Å; F372-Y375 VanDerWaalsContact O-CB 3.26Å; F372-Y375 WeakPolarHBondContact O-CB 3.32Å; F372-Y375 PolarHBondContact O-N 2.99Å; Y375-G378 WeakPolarHBondContact CE2-O 3.48Å; Y375-G378 PolarHBondContact OH-O 2.83Å; Y375-Y380 HydrophobicContact CD2-CD2 4.24Å; Y375-Y380 HydrophobicContact CD2-CG 4.41Å; Y375-W430 AromaticContact CD1-CH2 3.71Å; Y375-W430 HydrophobicContact CD1-CH2 3.71Å; Y375-W430 AromaticContact CD1-CZ2 3.95Å; Y375-W430 HydrophobicContact CD1-CZ2 3.95Å; Y375-W430 HydrophobicContact CD1-CZ3 4.26Å; Y375-W430 HydrophobicContact CG-CH2 4.37Å; Y375-W430 HydrophobicContact CG-CZ2 4.35Å; Y375-E432 HydrophobicContact CE1-CG 4.26Å; Y375-E432 PolarHBondContact OH-OE2 2.8Å; Y375-F436 HydrophobicContact CD1-CB 3.8Å; Y375-F436 HydrophobicContact CE1-CB 3.31Å; Y375-R437 PolarHBondContact OH-N 2.77Å; Y375-R437 VanDerWaalsContact OH-N 3.11Å
376	K	98.6	Very high	97.1	Very high	84 Å²	84	25.3 Å²	25.3	37%	0.365	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-48.6	177.1	-178.1	57.5	-173.8	162.6	0	114	K157 A159 Y161 V374 G431 E432	K157-K376 WeakPolarHBondContact O-CA 3.31Å; K157-K376 VanDerWaalsContact O-CB 3.3Å; K157-K376 WeakPolarHBondContact O-CB 3.46Å; K157-K376 PolarHBondContact O-N 2.9Å; A159-K376 HydrophobicContact CB-CB 3.69Å; A159-K376 HydrophobicContact CB-CD 3.92Å; A159-K376 HydrophobicContact CB-CG 3.83Å; Y161-K376 WeakPolarHBondContact OH-CA 3.39Å; Y161-K376 VanDerWaalsContact OH-CD 3.22Å; Y161-K376 WeakPolarHBondContact OH-CD 3.33Å; V374-K376 PolarHBondContact O-N 3.47Å; K376-G431 PolarHBondContact NZ-O 2.95Å; K376-G431 CarbonylContact O-C 3.49Å; K376-E432 WeakPolarHBondContact O-CG 3.26Å
377	S	98.3	Very high	96.8	Very high	41 Å²	41	32.2 Å²	32.2	29%	0.287	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	166.1	-177.2	59.1	0	0	0	0	112.1	W156 K157 E432	W156-S377 CarbonylContact C-O 3.48Å; W156-S377 WeakPolarHBondContact CA-O 3.49Å; W156-S377 VanDerWaalsContact CB-O 3.31Å; W156-S377 WeakPolarHBondContact CB-O 3.43Å; K157-S377 PolarHBondContact N-O 3.22Å; K157-S377 PolarHBondContact O-N 3.11Å; S377-E432 WeakPolarHBondContact CB-OE1 3.44Å
378	G	97.1	Very high	96.6	Very high	14 Å²	14	36.2 Å²	36.2	14%	0.144	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.7	-168.4	179.8	0	0	0	0	0	112.6	Y375 E432 R437	Y375-G378 WeakPolarHBondContact CE2-O 3.48Å; Y375-G378 PolarHBondContact OH-O 2.83Å; G378-E432 PolarHBondContact N-OE1 3.23Å; G378-R437 WeakPolarHBondContact O-CB 3.44Å
379	I	97.6	Very high	96.3	Very high	17 Å²	17	37.6 Å²	37.6	9%	0.087	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	105.4	-177.9	-57.9	170	0	0	0	108.1	G155 D409 R417 Y419 A439	G155-I379 PolarHBondContact O-N 3.42Å; I379-D409 HydrophobicContact CD1-CB 4.12Å; I379-R417 HydrophobicContact CD1-CB 3.69Å; I379-Y419 HydrophobicContact CD1-CD1 3.51Å; I379-Y419 HydrophobicContact CD1-CE1 4.23Å; I379-Y419 HydrophobicContact CD1-CG 4.23Å; I379-Y419 HydrophobicContact CG1-CD1 3.84Å; I379-Y419 HydrophobicContact CG1-CG 4.13Å; I379-A439 HydrophobicContact CG2-CB 4.34Å
380	Y	98.3	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	136	178.8	177.9	-102.1	0	0	0	111.4	W156 D371 F372 Y375 R437 I438 A439	W156-Y380 AromaticContact CD2-CD2 3.99Å; W156-Y380 HydrophobicContact CD2-CD2 3.99Å; W156-Y380 AromaticContact CE2-CD2 3.8Å; W156-Y380 HydrophobicContact CE3-CD2 4.31Å; W156-Y380 HydrophobicContact CG-CD2 4.45Å; W156-Y380 HydrophobicContact CH2-CD2 4.32Å; W156-Y380 HydrophobicContact CH2-CE2 4.17Å; W156-Y380 AromaticContact CZ2-CD2 3.99Å; W156-Y380 HydrophobicContact CZ2-CD2 3.99Å; W156-Y380 AromaticContact CZ2-CE2 3.85Å; W156-Y380 HydrophobicContact CZ2-CE2 3.85Å; W156-Y380 HydrophobicContact CZ3-CD2 4.47Å; D371-Y380 PolarHBondContact OD1-OH 3.02Å; F372-Y380 HydrophobicContact CB-CE1 4.37Å; F372-Y380 HydrophobicContact CB-CE2 4.02Å; F372-Y380 AromaticContact CD2-CD1 3.63Å; F372-Y380 HydrophobicContact CD2-CD1 3.63Å; F372-Y380 AromaticContact CD2-CD2 3.86Å; F372-Y380 HydrophobicContact CD2-CD2 3.86Å; F372-Y380 AromaticContact CD2-CE1 3.55Å; F372-Y380 HydrophobicContact CD2-CE1 3.55Å; F372-Y380 AromaticContact CD2-CE2 3.79Å; F372-Y380 HydrophobicContact CD2-CE2 3.79Å; F372-Y380 AromaticContact CD2-CG 3.78Å; F372-Y380 HydrophobicContact CD2-CG 3.78Å; F372-Y380 AromaticContact CD2-CZ 3.64Å; F372-Y380 AromaticContact CE2-CD1 3.96Å; F372-Y380 HydrophobicContact CE2-CD1 3.96Å; F372-Y380 HydrophobicContact CE2-CE1 4.26Å; F372-Y380 HydrophobicContact CE2-CG 4.13Å; F372-Y380 HydrophobicContact CG-CE1 4.33Å; F372-Y380 HydrophobicContact CG-CE2 4.42Å; Y375-Y380 HydrophobicContact CD2-CD2 4.24Å; Y375-Y380 HydrophobicContact CD2-CG 4.41Å; Y380-R437 VanDerWaalsContact CB-O 3.28Å; Y380-R437 WeakPolarHBondContact CB-O 3.4Å; Y380-R437 PolarHBondContact N-O 2.85Å; Y380-I438 HydrophobicContact CD1-CD1 3.92Å; Y380-I438 HydrophobicContact CD1-CG1 4.01Å; Y380-I438 HydrophobicContact CE1-CD1 4.43Å; Y380-I438 WeakPolarHBondContact O-CA 3.02Å; Y380-A439 PolarHBondContact O-N 3.48Å
381	K	97.2	Very high	96.1	Very high	89 Å²	89	43.1 Å²	43.1	39%	0.387	24%	0.244	S	C	.	.			trans	-144.5	135.3	165.5	-171.2	165	-171.1	165.1	0	106.2	W156 T383 E442 E444	W156-K381 PolarHBondContact NE1-O 3.49Å; K381-T383 WeakPolarHBondContact O-CG2 3.43Å; K381-T383 PolarHBondContact O-N 3.37Å; K381-E442 IonicContact NZ-OE2 3.46Å; K381-E442 PolarHBondContact NZ-OE2 3.33Å; K381-E444 WeakPolarHBondContact CE-OE2 3.39Å; K381-E444 HydrophobicContact CG-CG 4.36Å; K381-E444 WeakPolarHBondContact CG-OE2 3.18Å
382	H	97.6	Very high	95.9	Very high	54 Å²	54	47 Å²	47	25%	0.25	26%	0.261	C	S	.	.			trans	-58.8	137.5	179.5	178	50.7	0	0	0	110.1	H369 E370 D371 E444	H369-H382 VanDerWaalsContact CB-ND1 3.31Å; H369-H382 WeakPolarHBondContact CB-ND1 3.43Å; H369-H382 AromaticContact CE1-CD2 3.62Å; H369-H382 AromaticContact CE1-NE2 3.68Å; H369-H382 AromaticContact CG-CD2 3.87Å; H369-H382 AromaticContact CG-CE1 3.57Å; H369-H382 AromaticContact CG-CG 3.69Å; H369-H382 AromaticContact CG-ND1 3.49Å; H369-H382 AromaticContact CG-NE2 3.78Å; H369-H382 AromaticContact ND1-CD2 3.4Å; H369-H382 PolarHBondContact ND1-CD2 2.63Å; H369-H382 AromaticContact ND1-CE1 3.3Å; H369-H382 PolarHBondContact ND1-CE1 3.45Å; H369-H382 VanDerWaalsContact ND1-CE1 3.3Å; H369-H382 AromaticContact ND1-CG 3.72Å; H369-H382 AromaticContact ND1-ND1 3.65Å; H369-H382 AromaticContact ND1-NE2 3.09Å; H369-H382 PolarHBondContact ND1-NE2 3.39Å; E370-H382 IonicContact OE1-CE1 2.65Å; D371-H382 VanDerWaalsContact CG-ND1 3.31Å; D371-H382 IonicContact OD1-CE1 3.89Å; D371-H382 IonicContact OD1-ND1 3.16Å; D371-H382 PolarHBondContact OD1-ND1 2.9Å; D371-H382 IonicContact OD2-CE1 3.93Å; D371-H382 IonicContact OD2-ND1 3.7Å; D371-H382 PolarHBondContact OD2-ND1 2.91Å; D371-H382 VanDerWaalsContact OD2-ND1 3.16Å; H382-E444 PolarHBondContact N-OE1 2.92Å
383	T	95.1	Very high	95.7	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.037	27%	0.268	C	S	.	.			trans	-116.8	145.4	-172.4	62.6	0	0	0	0	112	Y154 W156 D371 K381 V385	Y154-T383 HydrophobicContact CD1-CG2 3.61Å; Y154-T383 HydrophobicContact CD2-CG2 4Å; Y154-T383 HydrophobicContact CE1-CG2 4.16Å; Y154-T383 HydrophobicContact CE2-CG2 4.49Å; Y154-T383 HydrophobicContact CG-CG2 3.51Å; W156-T383 HydrophobicContact CZ2-CG2 3.86Å; D371-T383 PolarHBondContact OD2-N 2.91Å; D371-T383 PolarHBondContact OD2-OG1 3.41Å; K381-T383 WeakPolarHBondContact O-CG2 3.43Å; K381-T383 PolarHBondContact O-N 3.37Å; T383-V385 PolarHBondContact O-N 3.45Å; T383-V385 WeakPolarHBondContact OG1-CG2 3.39Å
384	D	93	Very high	95.5	Very high	121 Å²	121	53.7 Å²	53.7	65%	0.647	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-77.5	17.6	178.4	-65.4	-37.8	0	0	0	113.5	S386 F387	D384-S386 PolarHBondContact O-N 2.88Å; D384-S386 VanDerWaalsContact O-N 3.14Å; D384-F387 HydrophobicContact CB-CB 4.08Å; D384-F387 WeakPolarHBondContact O-CB 3.42Å; D384-F387 PolarHBondContact O-N 3.25Å
385	V	94.1	Very high	95.4	Very high	32 Å²	32	56.5 Å²	56.5	19%	0.194	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-59.6	-28.5	-176.8	-65.1	0	0	0	0	113	V145 A148 V149 Y154 T383	V145-V385 HydrophobicContact CG1-CG2 4.02Å; A148-V385 HydrophobicContact CB-CB 4.06Å; A148-V385 HydrophobicContact CB-CG1 4.01Å; V149-V385 HydrophobicContact CG2-CG1 4.06Å; V149-V385 HydrophobicContact CG2-CG2 4.1Å; Y154-V385 HydrophobicContact CE2-CG1 3.66Å; T383-V385 PolarHBondContact O-N 3.45Å; T383-V385 WeakPolarHBondContact OG1-CG2 3.39Å
386	S	92.9	Very high	95.2	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-94.3	0.3	177.1	-53.4	0	0	0	0	113.2	E370 D384 A388 K389 R394	E370-S386 WeakPolarHBondContact OE1-CB 3.22Å; E370-S386 PolarHBondContact OE1-OG 3.38Å; D384-S386 PolarHBondContact O-N 2.88Å; D384-S386 VanDerWaalsContact O-N 3.14Å; S386-A388 VanDerWaalsContact C-N 3.29Å; S386-A388 PolarHBondContact O-N 3.5Å; S386-K389 WeakPolarHBondContact O-CA 3.38Å; S386-K389 VanDerWaalsContact O-CB 3.23Å; S386-K389 WeakPolarHBondContact O-CB 3.39Å; S386-K389 PolarHBondContact O-N 3.33Å; S386-R394 WeakPolarHBondContact O-CD 3.1Å; S386-R394 WeakPolarHBondContact O-CG 3.21Å
387	F	91.4	Very high	95.2	Very high	147 Å²	147	58.3 Å²	58.3	65%	0.645	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-41.8	-169.7	178.6	-98.8	0	0	0	113.5	D384 K389	D384-F387 HydrophobicContact CB-CB 4.08Å; D384-F387 WeakPolarHBondContact O-CB 3.42Å; D384-F387 PolarHBondContact O-N 3.25Å; F387-K389 VanDerWaalsContact C-N 3.27Å; F387-K389 PolarHBondContact O-N 3.27Å
388	A	92.7	Very high	95.1	Very high	102 Å²	102	57.3 Å²	57.3	84%	0.843	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.1	178.5	0	0	0	0	0	113.8	S386	S386-A388 VanDerWaalsContact C-N 3.29Å; S386-A388 PolarHBondContact O-N 3.5Å
389	K	93.4	Very high	95.2	Very high	29 Å²	29	56.6 Å²	56.6	13%	0.126	30%	0.296	C	S	.	.	S	Bend	trans	-75.3	151	178.6	-62.1	-169.6	175.2	-165.6	0	111.3	E142 D144 S386 F387 Y393 R394	E142-K389 IonicContact OE1-NZ 2.77Å; E142-K389 PolarHBondContact OE1-NZ 2.92Å; E142-K389 IonicContact OE2-NZ 2.92Å; E142-K389 PolarHBondContact OE2-NZ 3.12Å; D144-K389 IonicContact OD1-NZ 2.77Å; D144-K389 PolarHBondContact OD1-NZ 3.38Å; D144-K389 WeakPolarHBondContact OD2-CE 3.22Å; D144-K389 IonicContact OD2-NZ 2.93Å; D144-K389 PolarHBondContact OD2-NZ 2.98Å; S386-K389 WeakPolarHBondContact O-CA 3.38Å; S386-K389 VanDerWaalsContact O-CB 3.23Å; S386-K389 WeakPolarHBondContact O-CB 3.39Å; S386-K389 PolarHBondContact O-N 3.33Å; F387-K389 VanDerWaalsContact C-N 3.27Å; F387-K389 PolarHBondContact O-N 3.27Å; K389-Y393 HydrophobicContact CB-CD2 4.21Å; K389-Y393 HydrophobicContact CB-CG 4.19Å; K389-Y393 HydrophobicContact CD-CD1 4.27Å; K389-Y393 HydrophobicContact CD-CG 4.05Å; K389-R394 PolarHBondContact O-NE 3.29Å
390	P	94.7	Very high	95.2	Very high	72 Å²	72	55.8 Å²	55.8	47%	0.468	29%	0.292	S	S	.	.			trans	-55	153.4	173.4	-25	33.1	0	0	0	112.6	K392 Y393	P390-K392 HydrophobicContact CB-CG 4.38Å; P390-K392 PolarHBondContact O-N 3.17Å; P390-Y393 HydrophobicContact CB-CD2 4.05Å; P390-Y393 HydrophobicContact CB-CE2 4.31Å; P390-Y393 HydrophobicContact CG-CD2 4.13Å; P390-Y393 HydrophobicContact CG-CE2 4.09Å; P390-Y393 PolarHBondContact O-N 3.17Å
391	P	94	Very high	95.3	Very high	95 Å²	95	55.9 Å²	55.9	62%	0.617	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-53.5	-28.1	-176.4	-28.6	35.3	0	0	0	115.3	Y393 R394	P391-Y393 PolarHBondContact O-N 2.72Å; P391-Y393 VanDerWaalsContact O-N 3.14Å; P391-R394 PolarHBondContact O-N 2.88Å
392	K	94.5	Very high	95.3	Very high	82 Å²	82	51.9 Å²	51.9	36%	0.357	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62	-19.6	177.5	69.7	179.5	178.9	178.9	0	114.2	Q136 A138 P390	Q136-K392 WeakPolarHBondContact O-CE 2.97Å; Q136-K392 PolarHBondContact O-NZ 3.34Å; A138-K392 VanDerWaalsContact CB-O 3.29Å; A138-K392 WeakPolarHBondContact CB-O 3.29Å; P390-K392 HydrophobicContact CB-CG 4.38Å; P390-K392 PolarHBondContact O-N 3.17Å
393	Y	94.9	Very high	95.4	Very high	38 Å²	38	49.3 Å²	49.3	15%	0.149	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-96.9	-7.6	176.8	-61.7	-90.5	0	0	0	113.4	A138 E142 E370 K389 P390 P391	A138-Y393 VanDerWaalsContact CA-CE1 3.49Å; A138-Y393 HydrophobicContact CB-CD1 3.41Å; A138-Y393 VanDerWaalsContact CB-CD1 3.41Å; A138-Y393 HydrophobicContact CB-CE1 3.67Å; A138-Y393 HydrophobicContact CB-CG 3.92Å; E142-Y393 WeakPolarHBondContact OE1-CD1 3.44Å; E142-Y393 WeakPolarHBondContact OE1-CE1 3.46Å; E142-Y393 WeakPolarHBondContact OE2-CD1 3.46Å; E370-Y393 WeakPolarHBondContact CG-O 3.35Å; K389-Y393 HydrophobicContact CB-CD2 4.21Å; K389-Y393 HydrophobicContact CB-CG 4.19Å; K389-Y393 HydrophobicContact CD-CD1 4.27Å; K389-Y393 HydrophobicContact CD-CG 4.05Å; P390-Y393 HydrophobicContact CB-CD2 4.05Å; P390-Y393 HydrophobicContact CB-CE2 4.31Å; P390-Y393 HydrophobicContact CG-CD2 4.13Å; P390-Y393 HydrophobicContact CG-CE2 4.09Å; P390-Y393 PolarHBondContact O-N 3.17Å; P391-Y393 PolarHBondContact O-N 2.72Å; P391-Y393 VanDerWaalsContact O-N 3.14Å
394	R	93.8	Very high	95.5	Very high	102 Å²	102	49 Å²	49	39%	0.385	26%	0.261	S	S	.	.			trans	-115.9	67.7	-175.5	-69.2	-173.4	-75.3	133.1	-3	109.9	S386 K389 P391	S386-R394 WeakPolarHBondContact O-CD 3.1Å; S386-R394 WeakPolarHBondContact O-CG 3.21Å; K389-R394 PolarHBondContact O-NE 3.29Å; P391-R394 PolarHBondContact O-N 2.88Å
395	K	95.2	Very high	95.8	Very high	61 Å²	61	43.3 Å²	43.3	27%	0.265	23%	0.231	S	C	.	.			trans	-114.2	144.8	-177.3	-63.2	-174	173.4	-177	0	109.8	L169 D170 I173 E370	L169-K395 HydrophobicContact CD2-CB 3.86Å; L169-K395 HydrophobicContact CD2-CD 4.42Å; L169-K395 HydrophobicContact CD2-CG 4.14Å; L169-K395 HydrophobicContact CG-CB 4.2Å; D170-K395 VanDerWaalsContact OD1-CD 3.31Å; D170-K395 WeakPolarHBondContact OD1-CD 3.29Å; D170-K395 IonicContact OD1-NZ 3.38Å; D170-K395 PolarHBondContact OD1-NZ 2.93Å; D170-K395 IonicContact OD2-NZ 3.87Å; D170-K395 PolarHBondContact OD2-NZ 3.44Å; I173-K395 HydrophobicContact CD1-CB 3.27Å; I173-K395 HydrophobicContact CD1-CD 4.36Å; I173-K395 HydrophobicContact CD1-CG 4.44Å; E370-K395 PolarHBondContact N-O 3.43Å
396	H	95.8	Very high	96	Very high	108 Å²	108	41.8 Å²	41.8	50%	0.5	22%	0.221	S	C	.	.			trans	-134.5	166.8	177.7	56.6	-85.4	0	0	0	110.1	E367 V368	E367-H396 IonicContact OE2-CD2 2.89Å; V368-H396 CarbonylContact O-C 3.2Å; V368-H396 WeakPolarHBondContact O-CA 3.44Å; V368-H396 VanDerWaalsContact O-CB 3.26Å; V368-H396 WeakPolarHBondContact O-CB 3.31Å
397	G	97	Very high	96.3	Very high	13 Å²	13	41.7 Å²	41.7	13%	0.134	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	166.1	172.3	0	0	0	0	0	112.9	V368	V368-G397 PolarHBondContact N-O 2.61Å; V368-G397 PolarHBondContact O-N 3.01Å
398	T	97.6	Very high	96.4	Very high	20 Å²	20	37.4 Å²	37.4	12%	0.123	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.8	-174.2	-49.3	0	0	0	0	112.4	T179 I365 E367	T179-T398 HydrophobicContact CG2-CG2 4.15Å; T179-T398 PolarHBondContact N-O 3.01Å; T179-T398 VanDerWaalsContact O-CB 3.29Å; T179-T398 WeakPolarHBondContact O-CB 3.45Å; I365-T398 HydrophobicContact CG2-CG2 3.19Å; E367-T398 PolarHBondContact OE1-OG1 2.86Å
399	H	98.4	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.2	-179.7	-167.7	56.5	0	0	0	110.8	R176 L177 S229 I365 M366 V368 N424 W426	R176-H399 PolarHBondContact O-CE1 3.35Å; R176-H399 PolarHBondContact O-ND1 3.29Å; L177-H399 HydrophobicContact CD2-CB 4.02Å; S229-H399 WeakPolarHBondContact CB-CE1 3.23Å; S229-H399 WeakPolarHBondContact CB-ND1 3.43Å; S229-H399 PolarHBondContact OG-CE1 3.34Å; S229-H399 PolarHBondContact OG-ND1 2.79Å; I365-H399 CarbonylContact C-O 3.44Å; I365-H399 WeakPolarHBondContact CA-O 3.49Å; M366-H399 HydrophobicContact CG-CB 4.49Å; M366-H399 PolarHBondContact N-O 3.01Å; M366-H399 PolarHBondContact O-N 3.29Å; V368-H399 HydrophobicContact CB-CB 4.46Å; V368-H399 HydrophobicContact CG2-CB 3.53Å; H399-N424 PolarHBondContact NE2-OD1 2.84Å; H399-W426 AromaticContact CE1-NE1 3.55Å; H399-W426 AromaticContact NE2-CE2 3.97Å; H399-W426 AromaticContact NE2-CZ2 3.96Å; H399-W426 AromaticContact NE2-NE1 3.8Å
400	S	98.4	Very high	95.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.7	174.1	52.4	0	0	0	0	111	T179 S229 W230 S233 A364	T179-S400 WeakPolarHBondContact OG1-CB 3.2Å; T179-S400 PolarHBondContact OG1-N 3.48Å; T179-S400 VanDerWaalsContact OG1-N 3.09Å; T179-S400 PolarHBondContact OG1-OG 3.45Å; S229-S400 PolarHBondContact O-OG 3.37Å; S229-S400 VanDerWaalsContact O-OG 3.11Å; W230-S400 VanDerWaalsContact CA-OG 3.29Å; W230-S400 WeakPolarHBondContact CA-OG 3.41Å; W230-S400 PolarHBondContact N-OG 3.1Å; S233-S400 WeakPolarHBondContact OG-CB 3.22Å; S233-S400 PolarHBondContact OG-OG 2.94Å; A364-S400 CarbonylContact O-C 3.53Å; A364-S400 WeakPolarHBondContact O-CA 3.17Å; A364-S400 WeakPolarHBondContact O-CB 3.44Å
401	V	98.8	Very high	94.9	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	167.8	-173.6	-62.8	0	0	0	0	109.7	Q363 A364 M366 A422 F436 I447	Q363-V401 WeakPolarHBondContact CA-O 3.48Å; A364-V401 HydrophobicContact CB-CG2 4.22Å; A364-V401 PolarHBondContact N-O 2.9Å; A364-V401 PolarHBondContact O-N 3.07Å; M366-V401 HydrophobicContact SD-CG1 4.07Å; M366-V401 HydrophobicContact SD-CG2 4.23Å; V401-A422 HydrophobicContact CG2-CB 4.46Å; V401-F436 HydrophobicContact CB-CE1 4.3Å; V401-F436 HydrophobicContact CB-CZ 4.28Å; V401-F436 HydrophobicContact CG1-CE1 3.97Å; V401-F436 HydrophobicContact CG1-CZ 3.98Å; V401-F436 HydrophobicContact CG2-CZ 4.2Å; V401-I447 HydrophobicContact CG2-CD1 4.22Å
402	R	98.6	Very high	93.9	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.7	174.9	173	-179.8	67.9	177	-0.3	109.4	H218 V237 D240 P361 V362 A422 A423	H218-R402 PolarHBondContact O-NH1 3.07Å; H218-R402 PolarHBondContact O-NH2 2.7Å; V237-R402 HydrophobicContact CG2-CB 3.95Å; V237-R402 HydrophobicContact CG2-CG 3.6Å; D240-R402 IonicContact OD1-NH1 2.66Å; D240-R402 PolarHBondContact OD1-NH1 2.86Å; D240-R402 VanDerWaalsContact OD2-CD 3.31Å; D240-R402 WeakPolarHBondContact OD2-CD 3.22Å; D240-R402 IonicContact OD2-CZ 3.34Å; D240-R402 VanDerWaalsContact OD2-CZ 3.3Å; D240-R402 IonicContact OD2-NE 3.33Å; D240-R402 IonicContact OD2-NH1 3.79Å; D240-R402 PolarHBondContact OD2-NH1 2.8Å; P361-R402 HydrophobicContact CB-CG 3.58Å; V362-R402 CarbonylContact O-C 3.54Å; V362-R402 WeakPolarHBondContact O-CA 3.42Å; R402-A422 CarbonylContact O-C 3.49Å; R402-A422 VanDerWaalsContact O-CA 3.3Å; R402-A422 WeakPolarHBondContact O-CA 3.5Å; R402-A423 HydrophobicContact CB-CB 4.42Å; R402-A423 PolarHBondContact N-O 2.82Å; R402-A423 PolarHBondContact O-N 3.47Å
403	I	98.9	Very high	93.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.9	173.8	-50.4	178.4	0	0	0	108.5	I356 P361 V362 A364 W420 A422 I447	I356-I403 HydrophobicContact CD1-CB 4.17Å; I356-I403 HydrophobicContact CD1-CG2 3.64Å; P361-I403 CarbonylContact C-O 3.55Å; P361-I403 WeakPolarHBondContact CA-O 3.41Å; P361-I403 WeakPolarHBondContact CB-O 3.46Å; V362-I403 HydrophobicContact CG2-CB 3.85Å; V362-I403 HydrophobicContact CG2-CD1 4.46Å; V362-I403 HydrophobicContact CG2-CG1 4.43Å; V362-I403 PolarHBondContact N-O 3.41Å; V362-I403 PolarHBondContact O-N 2.92Å; A364-I403 HydrophobicContact CB-CD1 3.56Å; A364-I403 HydrophobicContact CB-CG1 3.85Å; I403-W420 HydrophobicContact CG2-CB 4.16Å; I403-W420 HydrophobicContact CG2-CD2 4.1Å; I403-W420 HydrophobicContact CG2-CE3 3.7Å; I403-W420 HydrophobicContact CG2-CG 4.32Å; I403-W420 HydrophobicContact CG2-CZ3 4.43Å; I403-A422 HydrophobicContact CG1-CB 4.49Å; I403-I447 HydrophobicContact CD1-CD1 4.27Å; I403-I447 HydrophobicContact CD1-CG1 4.15Å
404	L	98.3	Very high	92.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	-3.3	-173.2	65.3	101.6	0	0	0	113.9	N208 S209 L210 P361 I421 A423 Y435	N208-L404 WeakPolarHBondContact OD1-CD1 3.36Å; S209-L404 WeakPolarHBondContact CB-O 3.13Å; S209-L404 PolarHBondContact N-O 3.44Å; S209-L404 PolarHBondContact OG-O 2.96Å; L210-L404 HydrophobicContact CD1-CD1 4.07Å; L210-L404 HydrophobicContact CG-CD1 4.32Å; P361-L404 HydrophobicContact CB-CB 4.18Å; P361-L404 HydrophobicContact CG-CB 3.93Å; L404-I421 HydrophobicContact CD1-CB 4.43Å; L404-I421 HydrophobicContact CD1-CG2 3.83Å; L404-I421 HydrophobicContact CG-CG2 4.1Å; L404-I421 PolarHBondContact N-O 3.08Å; L404-A423 HydrophobicContact CD2-CB 3.87Å; L404-Y435 HydrophobicContact CD2-CD1 3.71Å; L404-Y435 HydrophobicContact CD2-CE1 3.54Å
405	G	98.6	Very high	92.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-173.8	179.5	0	0	0	0	0	113.1	F207 I421	F207-G405 CarbonylContact O-C 3.58Å; F207-G405 WeakPolarHBondContact O-CA 3.49Å; G405-I421 PolarHBondContact N-O 3.45Å; G405-I421 PolarHBondContact O-N 2.73Å
406	W	98.7	Very high	91.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	165.2	178.3	63.6	87.2	0	0	0	110.5	P204 Y206 F207 M353 I356 M357 Y419 W420	P204-W406 HydrophobicContact CG-CZ2 4Å; P204-W406 PolarHBondContact O-NE1 2.7Å; Y206-W406 WeakPolarHBondContact CA-O 3.47Å; Y206-W406 WeakPolarHBondContact CD2-O 3.36Å; F207-W406 HydrophobicContact CB-CD2 3.75Å; F207-W406 VanDerWaalsContact CB-CE2 3.42Å; F207-W406 HydrophobicContact CB-CE3 3.87Å; F207-W406 HydrophobicContact CB-CH2 3.41Å; F207-W406 VanDerWaalsContact CB-CH2 3.41Å; F207-W406 HydrophobicContact CB-CZ2 3.29Å; F207-W406 HydrophobicContact CB-CZ3 3.7Å; F207-W406 HydrophobicContact CD1-CE3 4.04Å; F207-W406 AromaticContact CD1-CH2 3.79Å; F207-W406 HydrophobicContact CD1-CH2 3.79Å; F207-W406 AromaticContact CD1-CZ3 3.49Å; F207-W406 HydrophobicContact CD1-CZ3 3.49Å; F207-W406 VanDerWaalsContact CD1-CZ3 3.49Å; F207-W406 HydrophobicContact CD2-CH2 4.03Å; F207-W406 HydrophobicContact CD2-CZ2 4.44Å; F207-W406 HydrophobicContact CE1-CZ3 4.28Å; F207-W406 HydrophobicContact CG-CE3 4.26Å; F207-W406 AromaticContact CG-CH2 3.47Å; F207-W406 HydrophobicContact CG-CH2 3.47Å; F207-W406 VanDerWaalsContact CG-CH2 3.47Å; F207-W406 AromaticContact CG-CZ2 3.89Å; F207-W406 HydrophobicContact CG-CZ2 3.89Å; F207-W406 AromaticContact CG-CZ3 3.68Å; F207-W406 HydrophobicContact CG-CZ3 3.68Å; F207-W406 PolarHBondContact N-O 3.07Å; F207-W406 PolarHBondContact O-N 2.81Å; F207-W406 VanDerWaalsContact O-O 3.11Å; M353-W406 HydrophobicContact CB-CD2 4.34Å; M353-W406 HydrophobicContact CB-CE3 4.14Å; M353-W406 HydrophobicContact CB-CH2 3.94Å; M353-W406 HydrophobicContact CB-CZ2 4.12Å; M353-W406 HydrophobicContact CB-CZ3 3.95Å; M353-W406 HydrophobicContact CE-CD2 3.96Å; M353-W406 HydrophobicContact CE-CG 4.11Å; M353-W406 HydrophobicContact CE-CZ2 3.85Å; M353-W406 HydrophobicContact CG-CD2 3.89Å; M353-W406 HydrophobicContact CG-CE3 3.99Å; M353-W406 HydrophobicContact CG-CG 4.36Å; M353-W406 HydrophobicContact CG-CZ2 4.4Å; M353-W406 HydrophobicContact CG-CZ3 4.32Å; M353-W406 VanDerWaalsContact O-CH2 3.29Å; M353-W406 WeakPolarHBondContact O-CH2 3.41Å; M353-W406 VanDerWaalsContact O-CZ3 3.26Å; M353-W406 WeakPolarHBondContact O-CZ3 3.46Å; I356-W406 HydrophobicContact CB-CZ3 4.03Å; I356-W406 HydrophobicContact CG2-CZ3 3.97Å; M357-W406 HydrophobicContact CB-CH2 3.98Å; M357-W406 HydrophobicContact CG-CH2 4.4Å; W406-Y419 VanDerWaalsContact CA-O 3.22Å; W406-Y419 WeakPolarHBondContact CA-O 3.38Å; W406-Y419 VanDerWaalsContact CB-O 3.28Å; W406-Y419 WeakPolarHBondContact CB-O 3.39Å; W406-W420 HydrophobicContact CB-CE3 3.82Å; W406-W420 HydrophobicContact CB-CZ3 4Å; W406-W420 HydrophobicContact CD2-CZ3 4.49Å; W406-W420 HydrophobicContact CE3-CZ3 4.07Å
407	G	97.8	Very high	91.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	179.2	171	0	0	0	0	0	112	L205 Y419 R440	L205-G407 CarbonylContact O-C 3.49Å; L205-G407 WeakPolarHBondContact O-CA 3.44Å; G407-Y419 VanDerWaalsContact C-CE1 3.41Å; G407-Y419 VanDerWaalsContact CA-CZ 3.45Å; G407-Y419 PolarHBondContact N-O 3.4Å; G407-Y419 WeakPolarHBondContact O-CD1 3.23Å; G407-Y419 PolarHBondContact O-N 2.97Å; G407-R440 PolarHBondContact O-NH2 3.42Å
408	E	94.7	Very high	91.6	Very high	56 Å²	56	54.9 Å²	54.9	26%	0.262	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	117.7	173.8	-173.5	177.7	128.4	0	0	107.7	P416 R417 K418	E408-P416 VanDerWaalsContact CD-CB 3.47Å; E408-P416 HydrophobicContact CG-CB 3.77Å; E408-P416 WeakPolarHBondContact OE1-CB 3.31Å; E408-R417 WeakPolarHBondContact CA-O 3.45Å; E408-K418 HydrophobicContact CG-CG 4.36Å
409	D	88.4	Confident	91.6	Very high	62 Å²	62	54.7 Å²	54.7	33%	0.332	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	153.7	171.3	-70.7	-9.1	0	0	0	108.2	I379 R417 Y419 R437	I379-D409 HydrophobicContact CD1-CB 4.12Å; D409-R417 PolarHBondContact N-O 2.93Å; D409-R417 PolarHBondContact O-N 2.61Å; D409-Y419 HydrophobicContact CB-CE1 4.17Å; D409-Y419 VanDerWaalsContact CG-CE1 3.45Å; D409-Y419 VanDerWaalsContact OD1-CE1 3.29Å; D409-Y419 WeakPolarHBondContact OD1-CE1 3.43Å; D409-Y419 PolarHBondContact OD1-OH 2.71Å; D409-R437 IonicContact OD2-NH1 2.64Å; D409-R437 PolarHBondContact OD2-NH1 3.05Å
410	R	84.4	Confident	91.6	Very high	171 Å²	171	54.7 Å²	54.7	65%	0.645	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.9	170.6	-69.3	-175.7	176.5	-125.7	-2.5	109.3
411	D	75.9	Confident	91.6	Very high	36 Å²	36	55.5 Å²	55.5	19%	0.193	26%	0.257	C	S	.	.			trans	-80	-179.3	170.4	74.2	11.6	0	0	0	112.4	N413 E414 T415 R417	D411-N413 PolarHBondContact O-N 3.04Å; D411-N413 VanDerWaalsContact O-N 3.16Å; D411-N413 WeakPolarHBondContact OD1-CA 3.44Å; D411-N413 PolarHBondContact OD1-N 3.4Å; D411-E414 WeakPolarHBondContact O-CA 3.42Å; D411-E414 PolarHBondContact O-N 3.42Å; D411-E414 PolarHBondContact OD1-N 3.34Å; D411-T415 PolarHBondContact N-O 2.99Å; D411-T415 VanDerWaalsContact N-O 3.09Å; D411-T415 WeakPolarHBondContact OD1-CB 3.2Å; D411-T415 PolarHBondContact OD1-N 3.22Å; D411-R417 IonicContact OD2-CZ 2.83Å; D411-R417 IonicContact OD2-NE 3.43Å; D411-R417 PolarHBondContact OD2-NE 2.96Å; D411-R417 VanDerWaalsContact OD2-NE 3.13Å; D411-R417 IonicContact OD2-NH2 2.99Å; D411-R417 PolarHBondContact OD2-NH2 3.24Å
412	Y	73.4	Confident	91.6	Very high	224 Å²	224	55.5 Å²	55.5	88%	0.878	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.5	-179.1	-174.7	-97.1	0	0	0	113.3	E414	Y412-E414 VanDerWaalsContact C-N 3.27Å
413	N	80	Confident	91.7	Very high	123 Å²	123	55.4 Å²	55.4	66%	0.658	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	18	177.9	-63.4	-19.5	0	0	0	111.8	D411 T415	D411-N413 PolarHBondContact O-N 3.04Å; D411-N413 VanDerWaalsContact O-N 3.16Å; D411-N413 WeakPolarHBondContact OD1-CA 3.44Å; D411-N413 PolarHBondContact OD1-N 3.4Å; N413-T415 PolarHBondContact O-N 2.85Å
414	E	80.8	Confident	91.6	Very high	140 Å²	140	55.8 Å²	55.8	65%	0.654	26%	0.259	S	S	*	.			trans	56.9	17.1	-175.2	-55.5	-172.2	-178.8	0	0	114.6	D411 Y412	D411-E414 WeakPolarHBondContact O-CA 3.42Å; D411-E414 PolarHBondContact O-N 3.42Å; D411-E414 PolarHBondContact OD1-N 3.34Å; Y412-E414 VanDerWaalsContact C-N 3.27Å
415	T	83.6	Confident	91.6	Very high	74 Å²	74	56 Å²	56	45%	0.454	26%	0.261	S	S	.	.			trans	-78.1	128	179.2	-56.1	0	0	0	0	108.7	D411 N413 R417	D411-T415 PolarHBondContact N-O 2.99Å; D411-T415 VanDerWaalsContact N-O 3.09Å; D411-T415 WeakPolarHBondContact OD1-CB 3.2Å; D411-T415 PolarHBondContact OD1-N 3.22Å; N413-T415 PolarHBondContact O-N 2.85Å; T415-R417 PolarHBondContact O-N 2.91Å
416	P	88.3	Confident	91.6	Very high	71 Å²	71	56 Å²	56	46%	0.461	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.3	-178.9	28.7	-34.6	0	0	0	110.8	E408	E408-P416 VanDerWaalsContact CD-CB 3.47Å; E408-P416 HydrophobicContact CG-CB 3.77Å; E408-P416 WeakPolarHBondContact OE1-CB 3.31Å
417	R	92.6	Very high	91.5	Very high	88 Å²	88	56.4 Å²	56.4	33%	0.332	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107	175.2	-64	-168.4	-176.9	-169.2	5.9	109.2	I379 E408 D409 D411 T415	I379-R417 HydrophobicContact CD1-CB 3.69Å; E408-R417 WeakPolarHBondContact CA-O 3.45Å; D409-R417 PolarHBondContact N-O 2.93Å; D409-R417 PolarHBondContact O-N 2.61Å; D411-R417 IonicContact OD2-CZ 2.83Å; D411-R417 IonicContact OD2-NE 3.43Å; D411-R417 PolarHBondContact OD2-NE 2.96Å; D411-R417 VanDerWaalsContact OD2-NE 3.13Å; D411-R417 IonicContact OD2-NH2 2.99Å; D411-R417 PolarHBondContact OD2-NH2 3.24Å; T415-R417 PolarHBondContact O-N 2.91Å
418	K	96.8	Very high	91.4	Very high	81 Å²	81	61.1 Å²	61.1	35%	0.352	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141.8	179.6	-65.2	177.8	177.4	-173.8	0	110.5	E349 E408 R440	E349-K418 IonicContact OE1-NZ 3.4Å; E349-K418 PolarHBondContact OE1-NZ 3.47Å; E349-K418 IonicContact OE2-NZ 2.58Å; E408-K418 HydrophobicContact CG-CG 4.36Å; K418-R440 HydrophobicContact CB-CB 4.09Å; K418-R440 HydrophobicContact CB-CG 4.42Å; K418-R440 PolarHBondContact O-N 3.44Å
419	Y	98.5	Very high	91.5	Very high	15 Å²	15	64.5 Å²	64.5	6%	0.059	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.3	174.5	57.2	-89	0	0	0	112.6	I379 W406 G407 D409 I421 R437 I438 R440	I379-Y419 HydrophobicContact CD1-CD1 3.51Å; I379-Y419 HydrophobicContact CD1-CE1 4.23Å; I379-Y419 HydrophobicContact CD1-CG 4.23Å; I379-Y419 HydrophobicContact CG1-CD1 3.84Å; I379-Y419 HydrophobicContact CG1-CG 4.13Å; W406-Y419 VanDerWaalsContact CA-O 3.22Å; W406-Y419 WeakPolarHBondContact CA-O 3.38Å; W406-Y419 VanDerWaalsContact CB-O 3.28Å; W406-Y419 WeakPolarHBondContact CB-O 3.39Å; G407-Y419 VanDerWaalsContact C-CE1 3.41Å; G407-Y419 VanDerWaalsContact CA-CZ 3.45Å; G407-Y419 PolarHBondContact N-O 3.4Å; G407-Y419 WeakPolarHBondContact O-CD1 3.23Å; G407-Y419 PolarHBondContact O-N 2.97Å; D409-Y419 HydrophobicContact CB-CE1 4.17Å; D409-Y419 VanDerWaalsContact CG-CE1 3.45Å; D409-Y419 VanDerWaalsContact OD1-CE1 3.29Å; D409-Y419 WeakPolarHBondContact OD1-CE1 3.43Å; D409-Y419 PolarHBondContact OD1-OH 2.71Å; Y419-I421 HydrophobicContact CD2-CG1 4.02Å; Y419-I421 HydrophobicContact CE2-CD1 4.26Å; Y419-I421 HydrophobicContact CE2-CG1 3.82Å; Y419-R437 HydrophobicContact CD2-CB 3.92Å; Y419-R437 HydrophobicContact CD2-CG 3.64Å; Y419-R437 HydrophobicContact CE2-CG 3.95Å; Y419-R437 HydrophobicContact CG-CB 4.2Å; Y419-R437 HydrophobicContact CG-CG 4.38Å; Y419-I438 CarbonylContact C-O 3.54Å; Y419-I438 WeakPolarHBondContact CA-O 3.44Å; Y419-I438 WeakPolarHBondContact CB-O 2.94Å; Y419-R440 PolarHBondContact O-NE 2.84Å; Y419-R440 VanDerWaalsContact O-NE 3.13Å
420	W	98.8	Very high	92	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.5	160.4	-67	115.6	0	0	0	109.9	E349 I352 M353 I356 I403 W406 R437 I438 R440 E448	E349-W420 HydrophobicContact CG-CZ2 4.24Å; I352-W420 HydrophobicContact CB-CH2 3.86Å; I352-W420 HydrophobicContact CB-CZ2 4.2Å; I352-W420 HydrophobicContact CG2-CH2 3.57Å; I352-W420 HydrophobicContact CG2-CZ2 3.98Å; I352-W420 HydrophobicContact CG2-CZ3 4.13Å; M353-W420 HydrophobicContact CB-CH2 4.47Å; M353-W420 HydrophobicContact CG-CH2 3.52Å; M353-W420 HydrophobicContact CG-CZ3 3.79Å; I356-W420 HydrophobicContact CD1-CE3 4.45Å; I356-W420 HydrophobicContact CD1-CZ3 3.96Å; I403-W420 HydrophobicContact CG2-CB 4.16Å; I403-W420 HydrophobicContact CG2-CD2 4.1Å; I403-W420 HydrophobicContact CG2-CE3 3.7Å; I403-W420 HydrophobicContact CG2-CG 4.32Å; I403-W420 HydrophobicContact CG2-CZ3 4.43Å; W406-W420 HydrophobicContact CB-CE3 3.82Å; W406-W420 HydrophobicContact CB-CZ3 4Å; W406-W420 HydrophobicContact CD2-CZ3 4.49Å; W406-W420 HydrophobicContact CE3-CZ3 4.07Å; W420-R437 VanDerWaalsContact O-CA 3.22Å; W420-R437 WeakPolarHBondContact O-CA 3.47Å; W420-I438 HydrophobicContact CB-CG2 3.97Å; W420-I438 PolarHBondContact N-O 3.04Å; W420-I438 PolarHBondContact O-N 3.44Å; W420-R440 HydrophobicContact CD2-CB 4.18Å; W420-R440 HydrophobicContact CD2-CG 3.97Å; W420-R440 VanDerWaalsContact CE2-CD 3.44Å; W420-R440 VanDerWaalsContact CE2-CG 3.44Å; W420-R440 HydrophobicContact CG-CB 4Å; W420-R440 HydrophobicContact CG-CG 4.32Å; W420-R440 HydrophobicContact CH2-CG 4.45Å; W420-R440 HydrophobicContact CZ2-CG 3.71Å; W420-E448 PolarHBondContact NE1-OE1 3.37Å
421	I	98.8	Very high	92.7	Very high	18 Å²	18	53.5 Å²	53.5	9%	0.092	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.9	166.8	-54.4	170.1	0	0	0	106.6	Y206 N208 L404 G405 Y419 R437	Y206-I421 HydrophobicContact CE2-CD1 3.89Å; N208-I421 HydrophobicContact CB-CD1 4.43Å; L404-I421 HydrophobicContact CD1-CB 4.43Å; L404-I421 HydrophobicContact CD1-CG2 3.83Å; L404-I421 HydrophobicContact CG-CG2 4.1Å; L404-I421 PolarHBondContact N-O 3.08Å; G405-I421 PolarHBondContact N-O 3.45Å; G405-I421 PolarHBondContact O-N 2.73Å; Y419-I421 HydrophobicContact CD2-CG1 4.02Å; Y419-I421 HydrophobicContact CE2-CD1 4.26Å; Y419-I421 HydrophobicContact CE2-CG1 3.82Å; I421-R437 HydrophobicContact CG1-CG 4.46Å
422	A	98.8	Very high	93.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.4	-177.5	0	0	0	0	0	111.7	V401 R402 I403 Y435 F436	V401-A422 HydrophobicContact CG2-CB 4.46Å; R402-A422 CarbonylContact O-C 3.49Å; R402-A422 VanDerWaalsContact O-CA 3.3Å; R402-A422 WeakPolarHBondContact O-CA 3.5Å; I403-A422 HydrophobicContact CG1-CB 4.49Å; A422-Y435 CarbonylContact O-C 3.53Å; A422-Y435 VanDerWaalsContact O-CA 3.26Å; A422-Y435 WeakPolarHBondContact O-CA 3.2Å; A422-F436 HydrophobicContact CB-CD1 4.05Å; A422-F436 HydrophobicContact CB-CD2 4.48Å; A422-F436 HydrophobicContact CB-CE1 3.45Å; A422-F436 VanDerWaalsContact CB-CE1 3.45Å; A422-F436 HydrophobicContact CB-CE2 3.95Å; A422-F436 HydrophobicContact CB-CZ 3.4Å; A422-F436 VanDerWaalsContact CB-CZ 3.4Å; A422-F436 PolarHBondContact N-O 3.43Å; A422-F436 WeakPolarHBondContact O-CD1 3.35Å; A422-F436 PolarHBondContact O-N 2.92Å
423	A	98.8	Very high	94.9	Very high	4 Å²	4	49 Å²	49	3%	0.033	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.7	172.9	0	0	0	0	0	109.6	P220 R402 L404 Y435	P220-A423 HydrophobicContact CG-CB 4.12Å; R402-A423 HydrophobicContact CB-CB 4.42Å; R402-A423 PolarHBondContact N-O 2.82Å; R402-A423 PolarHBondContact O-N 3.47Å; L404-A423 HydrophobicContact CD2-CB 3.87Å; A423-Y435 HydrophobicContact CB-CD1 3.79Å; A423-Y435 HydrophobicContact CB-CE1 3.81Å
424	N	98.4	Very high	95.8	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.043	22%	0.218	C	C	.	.			trans	-88.7	-180	173.4	-157.1	-9.9	0	0	0	110.5	H399 W426 W430 G434 F436	H399-N424 PolarHBondContact NE2-OD1 2.84Å; N424-W426 WeakPolarHBondContact ND2-CZ3 3.32Å; N424-W430 HydrophobicContact CB-CE3 3.95Å; N424-W430 HydrophobicContact CB-CH2 4.49Å; N424-W430 HydrophobicContact CB-CZ3 3.68Å; N424-W430 VanDerWaalsContact ND2-CH2 3.33Å; N424-W430 WeakPolarHBondContact ND2-CH2 3.46Å; N424-W430 WeakPolarHBondContact ND2-CZ3 3.02Å; N424-G434 PolarHBondContact N-O 2.61Å; N424-F436 HydrophobicContact CB-CD1 4.2Å; N424-F436 HydrophobicContact CB-CE1 4.26Å
425	S	98.1	Very high	96.6	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.035	19%	0.191	C	C	.	.	S	Bend	trans	-119.9	30.7	177.1	49.6	0	0	0	0	112.3	L221 Q223	L221-S425 CarbonylContact O-C 3.46Å; L221-S425 VanDerWaalsContact O-CA 3.29Å; L221-S425 WeakPolarHBondContact O-CA 3.07Å; Q223-S425 WeakPolarHBondContact CB-O 3.24Å; Q223-S425 VanDerWaalsContact CG-O 3.32Å; Q223-S425 WeakPolarHBondContact CG-O 3.38Å; Q223-S425 PolarHBondContact N-O 3.08Å; Q223-S425 PolarHBondContact OE1-O 3.32Å; Q223-S425 PolarHBondContact OE1-OG 3.48Å
426	W	97.8	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-113	22.9	-179.2	-54.3	-18.7	0	0	0	112.8	Q163 R176 L177 V368 F372 F373 H399 N424 W430	Q163-W426 PolarHBondContact NE2-O 3.26Å; R176-W426 HydrophobicContact CB-CZ2 4.1Å; L177-W426 HydrophobicContact CD2-CZ2 3.88Å; V368-W426 HydrophobicContact CG1-CH2 4.32Å; F372-W426 AromaticContact CD1-CH2 3.77Å; F372-W426 HydrophobicContact CD1-CH2 3.77Å; F372-W426 HydrophobicContact CD1-CZ3 4.07Å; F372-W426 AromaticContact CE1-CH2 3.88Å; F372-W426 HydrophobicContact CE1-CH2 3.88Å; F372-W426 HydrophobicContact CE1-CZ3 4.07Å; F373-W426 AromaticContact CD1-CH2 3.81Å; F373-W426 HydrophobicContact CD1-CH2 3.81Å; F373-W426 HydrophobicContact CD1-CZ2 4.45Å; F373-W426 HydrophobicContact CD1-CZ3 4.1Å; F373-W426 AromaticContact CE1-CH2 3.91Å; F373-W426 HydrophobicContact CE1-CH2 3.91Å; F373-W426 HydrophobicContact CE1-CZ2 4.16Å; H399-W426 AromaticContact CE1-NE1 3.55Å; H399-W426 AromaticContact NE2-CE2 3.97Å; H399-W426 AromaticContact NE2-CZ2 3.96Å; H399-W426 AromaticContact NE2-NE1 3.8Å; N424-W426 WeakPolarHBondContact ND2-CZ3 3.32Å; W426-W430 HydrophobicContact CB-CB 4.24Å; W426-W430 HydrophobicContact CB-CG 4.35Å; W426-W430 AromaticContact CE3-CD1 3.8Å; W426-W430 AromaticContact CE3-CD2 3.67Å; W426-W430 HydrophobicContact CE3-CD2 3.67Å; W426-W430 AromaticContact CE3-CE2 3.41Å; W426-W430 VanDerWaalsContact CE3-CE2 3.41Å; W426-W430 HydrophobicContact CE3-CE3 4.35Å; W426-W430 AromaticContact CE3-CG 3.9Å; W426-W430 HydrophobicContact CE3-CG 3.9Å; W426-W430 AromaticContact CE3-CZ2 3.87Å; W426-W430 HydrophobicContact CE3-CZ2 3.87Å; W426-W430 AromaticContact CE3-NE1 3.49Å; W426-W430 HydrophobicContact CZ3-CD2 4.23Å; W426-W430 AromaticContact CZ3-CE2 3.5Å; W426-W430 VanDerWaalsContact CZ3-CE2 3.5Å; W426-W430 HydrophobicContact CZ3-CH2 4.36Å; W426-W430 AromaticContact CZ3-CZ2 3.55Å; W426-W430 HydrophobicContact CZ3-CZ2 3.55Å; W426-W430 AromaticContact CZ3-NE1 3.6Å
427	G	96.6	Very high	97.9	Very high	8 Å²	8	33.1 Å²	33.1	8%	0.082	16%	0.157	C	C	.	.			trans	73.9	171.3	178.5	0	0	0	0	0	114.8	L221 N429 W430 G434	L221-G427 PolarHBondContact O-N 3.17Å; L221-G427 VanDerWaalsContact O-N 3.1Å; G427-N429 VanDerWaalsContact C-N 3.26Å; G427-N429 PolarHBondContact O-N 2.94Å; G427-W430 PolarHBondContact O-N 2.03Å; G427-G434 WeakPolarHBondContact O-CA 3.28Å
428	K	97	Very high	98.1	Very high	100 Å²	100	28.9 Å²	28.9	44%	0.435	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.5	-174.8	-59.1	-171	-174.4	-156.6	0	114.2	E219 W430 N433 G434	E219-K428 VanDerWaalsContact OE2-CE 3.23Å; E219-K428 WeakPolarHBondContact OE2-CE 3.48Å; E219-K428 IonicContact OE2-NZ 2.98Å; E219-K428 PolarHBondContact OE2-NZ 3.3Å; K428-W430 PolarHBondContact O-N 3.09Å; K428-N433 CarbonylContact O-C 3.07Å; K428-N433 WeakPolarHBondContact O-CA 3.17Å; K428-G434 PolarHBondContact O-N 3.02Å
429	N	96.3	Very high	98.2	Very high	127 Å²	127	25.4 Å²	25.4	68%	0.679	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.5	-178.5	-65.3	-29.2	0	0	0	112.7	Y161 G427	Y161-N429 WeakPolarHBondContact CD1-O 3.39Å; Y161-N429 WeakPolarHBondContact CE1-O 2.86Å; G427-N429 VanDerWaalsContact C-N 3.26Å; G427-N429 PolarHBondContact O-N 2.94Å
430	W	98.4	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-93.5	147.4	179.3	-178.1	86.1	0	0	0	112	Y161 F372 F373 Y375 N424 W426 G427 K428 E432 G434 F436	Y161-W430 AromaticContact CD2-CD1 3.83Å; Y161-W430 HydrophobicContact CE1-CB 4.42Å; Y161-W430 AromaticContact CE2-CD1 3.71Å; Y161-W430 AromaticContact CE2-NE1 3.96Å; Y161-W430 AromaticContact CZ-CD1 3.9Å; F372-W430 HydrophobicContact CD1-CZ2 4.24Å; F372-W430 AromaticContact CE1-CH2 3.74Å; F372-W430 HydrophobicContact CE1-CH2 3.74Å; F372-W430 AromaticContact CE1-CZ2 3.84Å; F372-W430 HydrophobicContact CE1-CZ2 3.84Å; F372-W430 HydrophobicContact CE2-CH2 4.16Å; F372-W430 AromaticContact CZ-CH2 3.52Å; F372-W430 HydrophobicContact CZ-CH2 3.52Å; F372-W430 HydrophobicContact CZ-CZ2 4.01Å; F373-W430 PolarHBondContact O-NE1 3.13Å; F373-W430 VanDerWaalsContact O-NE1 3.11Å; Y375-W430 AromaticContact CD1-CH2 3.71Å; Y375-W430 HydrophobicContact CD1-CH2 3.71Å; Y375-W430 AromaticContact CD1-CZ2 3.95Å; Y375-W430 HydrophobicContact CD1-CZ2 3.95Å; Y375-W430 HydrophobicContact CD1-CZ3 4.26Å; Y375-W430 HydrophobicContact CG-CH2 4.37Å; Y375-W430 HydrophobicContact CG-CZ2 4.35Å; N424-W430 HydrophobicContact CB-CE3 3.95Å; N424-W430 HydrophobicContact CB-CH2 4.49Å; N424-W430 HydrophobicContact CB-CZ3 3.68Å; N424-W430 VanDerWaalsContact ND2-CH2 3.33Å; N424-W430 WeakPolarHBondContact ND2-CH2 3.46Å; N424-W430 WeakPolarHBondContact ND2-CZ3 3.02Å; W426-W430 HydrophobicContact CB-CB 4.24Å; W426-W430 HydrophobicContact CB-CG 4.35Å; W426-W430 AromaticContact CE3-CD1 3.8Å; W426-W430 AromaticContact CE3-CD2 3.67Å; W426-W430 HydrophobicContact CE3-CD2 3.67Å; W426-W430 AromaticContact CE3-CE2 3.41Å; W426-W430 VanDerWaalsContact CE3-CE2 3.41Å; W426-W430 HydrophobicContact CE3-CE3 4.35Å; W426-W430 AromaticContact CE3-CG 3.9Å; W426-W430 HydrophobicContact CE3-CG 3.9Å; W426-W430 AromaticContact CE3-CZ2 3.87Å; W426-W430 HydrophobicContact CE3-CZ2 3.87Å; W426-W430 AromaticContact CE3-NE1 3.49Å; W426-W430 HydrophobicContact CZ3-CD2 4.23Å; W426-W430 AromaticContact CZ3-CE2 3.5Å; W426-W430 VanDerWaalsContact CZ3-CE2 3.5Å; W426-W430 HydrophobicContact CZ3-CH2 4.36Å; W426-W430 AromaticContact CZ3-CZ2 3.55Å; W426-W430 HydrophobicContact CZ3-CZ2 3.55Å; W426-W430 AromaticContact CZ3-NE1 3.6Å; G427-W430 PolarHBondContact O-N 2.03Å; K428-W430 PolarHBondContact O-N 3.09Å; W430-E432 PolarHBondContact O-N 3.46Å; W430-G434 WeakPolarHBondContact O-CA 3.39Å; W430-G434 PolarHBondContact O-N 2.98Å; W430-F436 HydrophobicContact CH2-CB 3.91Å; W430-F436 HydrophobicContact CH2-CD1 4.16Å; W430-F436 HydrophobicContact CH2-CG 4.17Å; W430-F436 HydrophobicContact CZ3-CB 3.93Å; W430-F436 AromaticContact CZ3-CD1 3.98Å; W430-F436 HydrophobicContact CZ3-CD1 3.98Å; W430-F436 HydrophobicContact CZ3-CG 4.28Å
431	G	98.5	Very high	98	Very high	1 Å²	1	27 Å²	27	1%	0.01	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-135.1	176.7	0	0	0	0	0	114.7	Y161 K376 N433	Y161-G431 PolarHBondContact OH-N 2.94Å; K376-G431 PolarHBondContact NZ-O 2.95Å; K376-G431 CarbonylContact O-C 3.49Å; G431-N433 PolarHBondContact O-N 3.16Å
432	E	98.3	Very high	97.9	Very high	49 Å²	49	32 Å²	32	23%	0.229	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-94	66.9	179.1	-61.6	178.4	137.3	0	0	109.6	Y375 K376 S377 G378 W430 Y435 R437	Y375-E432 HydrophobicContact CE1-CG 4.26Å; Y375-E432 PolarHBondContact OH-OE2 2.8Å; K376-E432 WeakPolarHBondContact O-CG 3.26Å; S377-E432 WeakPolarHBondContact CB-OE1 3.44Å; G378-E432 PolarHBondContact N-OE1 3.23Å; W430-E432 PolarHBondContact O-N 3.46Å; E432-Y435 PolarHBondContact N-O 3.48Å; E432-Y435 WeakPolarHBondContact O-CB 3.28Å; E432-Y435 WeakPolarHBondContact O-CD2 3.45Å; E432-Y435 PolarHBondContact O-N 3.38Å; E432-R437 IonicContact OE1-CZ 3.22Å; E432-R437 IonicContact OE1-NE 2.73Å; E432-R437 PolarHBondContact OE1-NE 3.17Å; E432-R437 IonicContact OE1-NH2 3.55Å; E432-R437 PolarHBondContact OE1-NH2 3.22Å; E432-R437 IonicContact OE2-NE 2.57Å; E432-R437 PolarHBondContact OE2-NE 2.99Å; E432-R437 VanDerWaalsContact OE2-NE 3.12Å
433	N	97.9	Very high	97.8	Very high	117 Å²	117	34.9 Å²	34.9	63%	0.626	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	38.8	-176.3	-59.1	-40.4	0	0	0	114.5	K428 G431 Y435	K428-N433 CarbonylContact O-C 3.07Å; K428-N433 WeakPolarHBondContact O-CA 3.17Å; G431-N433 PolarHBondContact O-N 3.16Å; N433-Y435 VanDerWaalsContact C-N 3.29Å; N433-Y435 WeakPolarHBondContact O-CD2 3.14Å
434	G	98.4	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-4	-175.4	0	0	0	0	0	113.8	N424 G427 K428 W430	N424-G434 PolarHBondContact N-O 2.61Å; G427-G434 WeakPolarHBondContact O-CA 3.28Å; K428-G434 PolarHBondContact O-N 3.02Å; W430-G434 WeakPolarHBondContact O-CA 3.39Å; W430-G434 PolarHBondContact O-N 2.98Å
435	Y	98.8	Very high	97.7	Very high	24 Å²	24	36 Å²	36	9%	0.094	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	163.7	174	-55.1	-87.1	0	0	0	111.2	L210 E219 P220 L404 A422 A423 E432 N433	L210-Y435 HydrophobicContact CD1-CE1 4.18Å; E219-Y435 PolarHBondContact OE1-OH 2.86Å; E219-Y435 VanDerWaalsContact OE1-OH 3.07Å; P220-Y435 WeakPolarHBondContact CD-OH 3.38Å; P220-Y435 HydrophobicContact CG-CD1 4.26Å; P220-Y435 HydrophobicContact CG-CD2 4.26Å; P220-Y435 HydrophobicContact CG-CE1 3.87Å; P220-Y435 HydrophobicContact CG-CE2 3.87Å; P220-Y435 HydrophobicContact CG-CG 4.46Å; L404-Y435 HydrophobicContact CD2-CD1 3.71Å; L404-Y435 HydrophobicContact CD2-CE1 3.54Å; A422-Y435 CarbonylContact O-C 3.53Å; A422-Y435 VanDerWaalsContact O-CA 3.26Å; A422-Y435 WeakPolarHBondContact O-CA 3.2Å; A423-Y435 HydrophobicContact CB-CD1 3.79Å; A423-Y435 HydrophobicContact CB-CE1 3.81Å; E432-Y435 PolarHBondContact N-O 3.48Å; E432-Y435 WeakPolarHBondContact O-CB 3.28Å; E432-Y435 WeakPolarHBondContact O-CD2 3.45Å; E432-Y435 PolarHBondContact O-N 3.38Å; N433-Y435 VanDerWaalsContact C-N 3.29Å; N433-Y435 WeakPolarHBondContact O-CD2 3.14Å
436	F	98.8	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.6	171.7	67.3	-79.5	0	0	0	110.9	M366 F372 Y375 V401 A422 N424 W430 I438	M366-F436 HydrophobicContact CE-CE2 4.47Å; M366-F436 HydrophobicContact SD-CE2 4.09Å; M366-F436 HydrophobicContact SD-CZ 3.77Å; F372-F436 AromaticContact CE2-CD2 3.74Å; F372-F436 HydrophobicContact CE2-CD2 3.74Å; F372-F436 AromaticContact CE2-CE2 3.96Å; F372-F436 HydrophobicContact CE2-CE2 3.96Å; F372-F436 HydrophobicContact CE2-CG 4.21Å; F372-F436 HydrophobicContact CZ-CD1 4.15Å; F372-F436 AromaticContact CZ-CD2 3.74Å; F372-F436 HydrophobicContact CZ-CD2 3.74Å; F372-F436 HydrophobicContact CZ-CE1 4.17Å; F372-F436 AromaticContact CZ-CE2 3.76Å; F372-F436 HydrophobicContact CZ-CE2 3.76Å; F372-F436 AromaticContact CZ-CG 3.93Å; F372-F436 HydrophobicContact CZ-CG 3.93Å; F372-F436 AromaticContact CZ-CZ 3.97Å; F372-F436 HydrophobicContact CZ-CZ 3.97Å; Y375-F436 HydrophobicContact CD1-CB 3.8Å; Y375-F436 HydrophobicContact CE1-CB 3.31Å; V401-F436 HydrophobicContact CB-CE1 4.3Å; V401-F436 HydrophobicContact CB-CZ 4.28Å; V401-F436 HydrophobicContact CG1-CE1 3.97Å; V401-F436 HydrophobicContact CG1-CZ 3.98Å; V401-F436 HydrophobicContact CG2-CZ 4.2Å; A422-F436 HydrophobicContact CB-CD1 4.05Å; A422-F436 HydrophobicContact CB-CD2 4.48Å; A422-F436 HydrophobicContact CB-CE1 3.45Å; A422-F436 VanDerWaalsContact CB-CE1 3.45Å; A422-F436 HydrophobicContact CB-CE2 3.95Å; A422-F436 HydrophobicContact CB-CZ 3.4Å; A422-F436 VanDerWaalsContact CB-CZ 3.4Å; A422-F436 PolarHBondContact N-O 3.43Å; A422-F436 WeakPolarHBondContact O-CD1 3.35Å; A422-F436 PolarHBondContact O-N 2.92Å; N424-F436 HydrophobicContact CB-CD1 4.2Å; N424-F436 HydrophobicContact CB-CE1 4.26Å; W430-F436 HydrophobicContact CH2-CB 3.91Å; W430-F436 HydrophobicContact CH2-CD1 4.16Å; W430-F436 HydrophobicContact CH2-CG 4.17Å; W430-F436 HydrophobicContact CZ3-CB 3.93Å; W430-F436 AromaticContact CZ3-CD1 3.98Å; W430-F436 HydrophobicContact CZ3-CD1 3.98Å; W430-F436 HydrophobicContact CZ3-CG 4.28Å; F436-I438 HydrophobicContact CD2-CB 4.13Å; F436-I438 HydrophobicContact CD2-CG2 4.28Å; F436-I438 HydrophobicContact CE2-CB 3.98Å; F436-I438 HydrophobicContact CE2-CG2 3.81Å
437	R	98.6	Very high	97.7	Very high	50 Å²	50	39.5 Å²	39.5	19%	0.189	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.3	171.3	-65.4	175.9	-73.5	158.8	-1.8	109.4	Y375 G378 Y380 D409 Y419 W420 I421 E432	Y375-R437 PolarHBondContact OH-N 2.77Å; Y375-R437 VanDerWaalsContact OH-N 3.11Å; G378-R437 WeakPolarHBondContact O-CB 3.44Å; Y380-R437 VanDerWaalsContact CB-O 3.28Å; Y380-R437 WeakPolarHBondContact CB-O 3.4Å; Y380-R437 PolarHBondContact N-O 2.85Å; D409-R437 IonicContact OD2-NH1 2.64Å; D409-R437 PolarHBondContact OD2-NH1 3.05Å; Y419-R437 HydrophobicContact CD2-CB 3.92Å; Y419-R437 HydrophobicContact CD2-CG 3.64Å; Y419-R437 HydrophobicContact CE2-CG 3.95Å; Y419-R437 HydrophobicContact CG-CB 4.2Å; Y419-R437 HydrophobicContact CG-CG 4.38Å; W420-R437 VanDerWaalsContact O-CA 3.22Å; W420-R437 WeakPolarHBondContact O-CA 3.47Å; I421-R437 HydrophobicContact CG1-CG 4.46Å; E432-R437 IonicContact OE1-CZ 3.22Å; E432-R437 IonicContact OE1-NE 2.73Å; E432-R437 PolarHBondContact OE1-NE 3.17Å; E432-R437 IonicContact OE1-NH2 3.55Å; E432-R437 PolarHBondContact OE1-NH2 3.22Å; E432-R437 IonicContact OE2-NE 2.57Å; E432-R437 PolarHBondContact OE2-NE 2.99Å; E432-R437 VanDerWaalsContact OE2-NE 3.12Å
438	I	98.6	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.6	-177.7	-177.2	167.1	0	0	0	109.5	M366 Y380 Y419 W420 F436 R440 E444 C445 I447	M366-I438 HydrophobicContact CE-CD1 3.7Å; Y380-I438 HydrophobicContact CD1-CD1 3.92Å; Y380-I438 HydrophobicContact CD1-CG1 4.01Å; Y380-I438 HydrophobicContact CE1-CD1 4.43Å; Y380-I438 WeakPolarHBondContact O-CA 3.02Å; Y419-I438 CarbonylContact C-O 3.54Å; Y419-I438 WeakPolarHBondContact CA-O 3.44Å; Y419-I438 WeakPolarHBondContact CB-O 2.94Å; W420-I438 HydrophobicContact CB-CG2 3.97Å; W420-I438 PolarHBondContact N-O 3.04Å; W420-I438 PolarHBondContact O-N 3.44Å; F436-I438 HydrophobicContact CD2-CB 4.13Å; F436-I438 HydrophobicContact CD2-CG2 4.28Å; F436-I438 HydrophobicContact CE2-CB 3.98Å; F436-I438 HydrophobicContact CE2-CG2 3.81Å; I438-R440 PolarHBondContact O-N 3.13Å; I438-E444 HydrophobicContact CD1-CB 4.37Å; I438-E444 HydrophobicContact CD1-CG 4.04Å; I438-E444 HydrophobicContact CG1-CB 4.12Å; I438-E444 HydrophobicContact CG1-CG 3.86Å; I438-C445 HydrophobicContact CD1-CB 4.14Å; I438-I447 HydrophobicContact CD1-CD1 4.31Å; I438-I447 HydrophobicContact CD1-CG2 4.47Å; I438-I447 HydrophobicContact CG2-CD1 3.6Å
439	A	98	Very high	97.7	Very high	8 Å²	8	35.5 Å²	35.5	7%	0.066	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	133.9	-179.2	0	0	0	0	0	111.9	I379 Y380 E444	I379-A439 HydrophobicContact CG2-CB 4.34Å; Y380-A439 PolarHBondContact O-N 3.48Å; A439-E444 HydrophobicContact CB-CB 3.98Å; A439-E444 HydrophobicContact CB-CG 4.2Å
440	R	97.8	Very high	97.7	Very high	11 Å²	11	29.9 Å²	29.9	4%	0.042	16%	0.158	C	C	.	.			trans	-114	142.2	-177	165.6	174.5	60.6	97.3	-3.2	111	E349 G407 K418 Y419 W420 I438	E349-R440 HydrophobicContact CG-CG 3.81Å; E349-R440 IonicContact OE1-CZ 3.48Å; E349-R440 IonicContact OE1-NH1 2.56Å; E349-R440 PolarHBondContact OE1-NH1 3.07Å; G407-R440 PolarHBondContact O-NH2 3.42Å; K418-R440 HydrophobicContact CB-CB 4.09Å; K418-R440 HydrophobicContact CB-CG 4.42Å; K418-R440 PolarHBondContact O-N 3.44Å; Y419-R440 PolarHBondContact O-NE 2.84Å; Y419-R440 VanDerWaalsContact O-NE 3.13Å; W420-R440 HydrophobicContact CD2-CB 4.18Å; W420-R440 HydrophobicContact CD2-CG 3.97Å; W420-R440 VanDerWaalsContact CE2-CD 3.44Å; W420-R440 VanDerWaalsContact CE2-CG 3.44Å; W420-R440 HydrophobicContact CG-CB 4Å; W420-R440 HydrophobicContact CG-CG 4.32Å; W420-R440 HydrophobicContact CH2-CG 4.45Å; W420-R440 HydrophobicContact CZ2-CG 3.71Å; I438-R440 PolarHBondContact O-N 3.13Å
441	G	96.2	Very high	97.7	Very high	38 Å²	38	30 Å²	30	39%	0.392	16%	0.158	S	C	.	.	S	Bend	trans	89.2	1	177.6	0	0	0	0	0	114	E448	G441-E448 PolarHBondContact N-OE1 2.81Å
442	E	95.4	Very high	97.6	Very high	122 Å²	122	30.4 Å²	30.4	57%	0.57	16%	0.16	S	C	*	.	S	Bend	trans	-117.3	3.6	179.1	-63.2	-180	-145	0	0	112.1	K381 E444	K381-E442 IonicContact NZ-OE2 3.46Å; K381-E442 PolarHBondContact NZ-OE2 3.33Å; E442-E444 PolarHBondContact O-N 2.93Å
443	N	97.3	Very high	97.5	Very high	60 Å²	60	28 Å²	28	32%	0.321	15%	0.149	S	C	.	.			trans	49.8	40.5	-171.3	-169.2	35.5	0	0	0	112.8	C445 E446 I447 E448 A449	N443-C445 PolarHBondContact O-N 2.96Å; N443-E446 PolarHBondContact O-N 2.95Å; N443-E446 VanDerWaalsContact OD1-CA 3.28Å; N443-E446 WeakPolarHBondContact OD1-CA 3.26Å; N443-E446 PolarHBondContact OD1-O 3.13Å; N443-I447 PolarHBondContact OD1-N 2.04Å; N443-E448 VanDerWaalsContact CA-OE2 3.29Å; N443-E448 WeakPolarHBondContact CA-OE2 3.3Å; N443-E448 HydrophobicContact CB-CB 4.27Å; N443-E448 PolarHBondContact N-OE2 2.97Å; N443-E448 WeakPolarHBondContact OD1-CA 3.27Å; N443-E448 WeakPolarHBondContact OD1-CB 3.22Å; N443-E448 PolarHBondContact OD1-N 3Å; N443-A449 PolarHBondContact OD1-N 3.36Å; N443-A449 VanDerWaalsContact OD1-N 3.1Å
444	E	98.1	Very high	97.4	Very high	24 Å²	24	22.5 Å²	22.5	11%	0.112	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-54.6	129.3	-179.7	-178.1	59.8	-157	0	0	110	K381 H382 I438 A439 E442 E446 I447	K381-E444 WeakPolarHBondContact CE-OE2 3.39Å; K381-E444 HydrophobicContact CG-CG 4.36Å; K381-E444 WeakPolarHBondContact CG-OE2 3.18Å; H382-E444 PolarHBondContact N-OE1 2.92Å; I438-E444 HydrophobicContact CD1-CB 4.37Å; I438-E444 HydrophobicContact CD1-CG 4.04Å; I438-E444 HydrophobicContact CG1-CB 4.12Å; I438-E444 HydrophobicContact CG1-CG 3.86Å; A439-E444 HydrophobicContact CB-CB 3.98Å; A439-E444 HydrophobicContact CB-CG 4.2Å; E442-E444 PolarHBondContact O-N 2.93Å; E444-E446 PolarHBondContact O-N 3.26Å; E444-E446 VanDerWaalsContact O-N 3.15Å; E444-I447 WeakPolarHBondContact O-CB 3.39Å; E444-I447 VanDerWaalsContact O-CG2 3.24Å; E444-I447 WeakPolarHBondContact O-CG2 3.24Å; E444-I447 PolarHBondContact O-N 3.42Å; E444-I447 VanDerWaalsContact O-N 3.1Å
445	C	97.8	Very high	97.1	Very high	13 Å²	13	28.3 Å²	28.3	9%	0.088	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	53.1	32.4	-176.3	-68.8	0	0	0	0	114	M366 E367 I438 N443 I447	M366-C445 CarbonylContact C-O 3.57Å; M366-C445 WeakPolarHBondContact CA-O 3.01Å; M366-C445 HydrophobicContact CB-CB 4.45Å; M366-C445 WeakPolarHBondContact CB-O 3.42Å; M366-C445 HydrophobicContact CE-CB 3.96Å; E367-C445 PolarHBondContact N-O 3.16Å; E367-C445 WeakPolarHBondContact O-CB 3.48Å; E367-C445 PolarHBondContact O-SG 2.92Å; I438-C445 HydrophobicContact CD1-CB 4.14Å; N443-C445 PolarHBondContact O-N 2.96Å; C445-I447 PolarHBondContact O-N 2.94Å; C445-I447 VanDerWaalsContact O-N 3.11Å
446	E	97.5	Very high	96.7	Very high	78 Å²	78	27.6 Å²	27.6	36%	0.364	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	59.7	15.3	-177.4	-56.1	-173.3	-177	0	0	115	K181 E367 N443 E444 E448 A449	K181-E446 IonicContact NZ-OE1 3.37Å; K181-E446 PolarHBondContact NZ-OE1 3.01Å; K181-E446 IonicContact NZ-OE2 2.76Å; K181-E446 PolarHBondContact NZ-OE2 3.08Å; E367-E446 HydrophobicContact CG-CG 4.24Å; N443-E446 PolarHBondContact O-N 2.95Å; N443-E446 VanDerWaalsContact OD1-CA 3.28Å; N443-E446 WeakPolarHBondContact OD1-CA 3.26Å; N443-E446 PolarHBondContact OD1-O 3.13Å; E444-E446 PolarHBondContact O-N 3.26Å; E444-E446 VanDerWaalsContact O-N 3.15Å; E446-E448 PolarHBondContact O-N 2.98Å; E446-E448 VanDerWaalsContact O-N 3.1Å; E446-A449 HydrophobicContact CB-CB 4.14Å; E446-A449 VanDerWaalsContact O-CB 3.26Å; E446-A449 WeakPolarHBondContact O-CB 3.29Å; E446-A449 PolarHBondContact O-N 3.37Å
447	I	98.4	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.7	-171.2	-163	171.7	0	0	0	114.3	A364 I365 M366 V401 I403 I438 N443 E444 C445	A364-I447 HydrophobicContact CB-CG1 3.99Å; I365-I447 WeakPolarHBondContact O-CA 3.29Å; M366-I447 HydrophobicContact CB-CB 4.02Å; M366-I447 HydrophobicContact CB-CG1 4.12Å; M366-I447 HydrophobicContact SD-CD1 4.29Å; V401-I447 HydrophobicContact CG2-CD1 4.22Å; I403-I447 HydrophobicContact CD1-CD1 4.27Å; I403-I447 HydrophobicContact CD1-CG1 4.15Å; I438-I447 HydrophobicContact CD1-CD1 4.31Å; I438-I447 HydrophobicContact CD1-CG2 4.47Å; I438-I447 HydrophobicContact CG2-CD1 3.6Å; N443-I447 PolarHBondContact OD1-N 2.04Å; E444-I447 WeakPolarHBondContact O-CB 3.39Å; E444-I447 VanDerWaalsContact O-CG2 3.24Å; E444-I447 WeakPolarHBondContact O-CG2 3.24Å; E444-I447 PolarHBondContact O-N 3.42Å; E444-I447 VanDerWaalsContact O-N 3.1Å; C445-I447 PolarHBondContact O-N 2.94Å; C445-I447 VanDerWaalsContact O-N 3.11Å
448	E	98	Very high	95.7	Very high	8 Å²	8	32 Å²	32	4%	0.037	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.6	179.7	-63.3	163.3	176.5	0	0	112.1	S347 I352 W420 G441 N443 E446	S347-E448 WeakPolarHBondContact CA-O 3.04Å; S347-E448 VanDerWaalsContact CB-O 3.28Å; S347-E448 WeakPolarHBondContact CB-O 3.31Å; S347-E448 PolarHBondContact OG-O 2.96Å; I352-E448 HydrophobicContact CD1-CB 4.15Å; I352-E448 HydrophobicContact CD1-CG 4.25Å; W420-E448 PolarHBondContact NE1-OE1 3.37Å; G441-E448 PolarHBondContact N-OE1 2.81Å; N443-E448 VanDerWaalsContact CA-OE2 3.29Å; N443-E448 WeakPolarHBondContact CA-OE2 3.3Å; N443-E448 HydrophobicContact CB-CB 4.27Å; N443-E448 PolarHBondContact N-OE2 2.97Å; N443-E448 WeakPolarHBondContact OD1-CA 3.27Å; N443-E448 WeakPolarHBondContact OD1-CB 3.22Å; N443-E448 PolarHBondContact OD1-N 3Å; E446-E448 PolarHBondContact O-N 2.98Å; E446-E448 VanDerWaalsContact O-N 3.1Å
449	A	95.3	Very high	94.9	Very high	16 Å²	16	34.2 Å²	34.2	13%	0.132	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-34.8	-173.4	0	0	0	0	0	113.1	R344 S347 N443 E446	R344-A449 PolarHBondContact NH2-O 3.02Å; R344-A449 VanDerWaalsContact NH2-O 3.07Å; S347-A449 PolarHBondContact OG-O 3.45Å; N443-A449 PolarHBondContact OD1-N 3.36Å; N443-A449 VanDerWaalsContact OD1-N 3.1Å; E446-A449 HydrophobicContact CB-CB 4.14Å; E446-A449 VanDerWaalsContact O-CB 3.26Å; E446-A449 WeakPolarHBondContact O-CB 3.29Å; E446-A449 PolarHBondContact O-N 3.37Å
450	F	96.2	Very high	93.8	Very high	9 Å²	9	40.1 Å²	40.1	4%	0.039	20%	0.202	C	C	.	.	S	Bend	trans	-141.1	93.5	-177.7	-165.8	-94.2	0	0	0	111.6	P182 I186 M187 V275 R344 I365 I452	P182-F450 HydrophobicContact CB-CE2 4.36Å; P182-F450 HydrophobicContact CB-CZ 4.31Å; P182-F450 HydrophobicContact CG-CD1 3.94Å; P182-F450 HydrophobicContact CG-CD2 4.29Å; P182-F450 HydrophobicContact CG-CE1 3.85Å; P182-F450 HydrophobicContact CG-CE2 4.24Å; P182-F450 HydrophobicContact CG-CG 4.15Å; P182-F450 HydrophobicContact CG-CZ 4.02Å; I186-F450 HydrophobicContact CG2-CE2 3.81Å; I186-F450 HydrophobicContact CG2-CZ 3.6Å; M187-F450 HydrophobicContact CE-CB 4.19Å; M187-F450 HydrophobicContact CE-CD2 4.24Å; M187-F450 HydrophobicContact SD-CB 4.02Å; M187-F450 HydrophobicContact SD-CD2 3.39Å; M187-F450 WeakPolarHBondContact SD-CD2 3.46Å; M187-F450 HydrophobicContact SD-CE2 4.1Å; M187-F450 HydrophobicContact SD-CG 3.89Å; V275-F450 HydrophobicContact CG2-CE1 3.83Å; R344-F450 HydrophobicContact CG-CE2 4.49Å; I365-F450 HydrophobicContact CB-CB 4.49Å; I365-F450 HydrophobicContact CD1-CD1 3.54Å; I365-F450 HydrophobicContact CD1-CE1 4.04Å; I365-F450 HydrophobicContact CD1-CG 4.36Å; I365-F450 HydrophobicContact CG1-CD1 3.97Å; I365-F450 PolarHBondContact N-O 3.21Å; F450-I452 HydrophobicContact CD1-CD1 4.41Å; F450-I452 HydrophobicContact CD1-CG1 4.38Å; F450-I452 HydrophobicContact CE1-CD1 3.44Å; F450-I452 VanDerWaalsContact CE1-CD1 3.44Å; F450-I452 HydrophobicContact CE1-CG1 3.74Å; F450-I452 HydrophobicContact CZ-CD1 3.88Å; F450-I452 HydrophobicContact CZ-CG1 4.16Å
451	V	97.5	Very high	92.6	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.8	-179.7	-172.2	0	0	0	0	110	R344 L345 I352 V362 Q363 A364	R344-V451 WeakPolarHBondContact CA-O 3.35Å; L345-V451 HydrophobicContact CB-CB 4.3Å; L345-V451 HydrophobicContact CD1-CB 4.34Å; L345-V451 HydrophobicContact CD1-CG1 3.69Å; L345-V451 HydrophobicContact CG-CG1 4.44Å; L345-V451 PolarHBondContact N-O 3.29Å; I352-V451 HydrophobicContact CD1-CG2 3.9Å; I352-V451 HydrophobicContact CG1-CG2 4.35Å; I352-V451 HydrophobicContact CG2-CG1 4.43Å; V362-V451 HydrophobicContact CB-CG1 3.69Å; V362-V451 HydrophobicContact CG1-CG1 4.4Å; V362-V451 HydrophobicContact CG2-CG1 3.48Å; V362-V451 VanDerWaalsContact CG2-CG1 3.48Å; Q363-V451 CarbonylContact O-C 3.37Å; Q363-V451 WeakPolarHBondContact O-CA 3.47Å; A364-V451 HydrophobicContact CB-CG2 4.27Å
452	I	96.8	Very high	91.6	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.6	179.6	-66.8	178.2	0	0	0	110.3	V275 P342 Y343 Q363 F450	V275-I452 HydrophobicContact CG2-CD1 3.92Å; P342-I452 HydrophobicContact CB-CG2 3.76Å; Y343-I452 WeakPolarHBondContact O-CA 3.32Å; Q363-I452 HydrophobicContact CB-CB 4.49Å; Q363-I452 PolarHBondContact N-O 3.04Å; Q363-I452 PolarHBondContact O-N 3.23Å; F450-I452 HydrophobicContact CD1-CD1 4.41Å; F450-I452 HydrophobicContact CD1-CG1 4.38Å; F450-I452 HydrophobicContact CE1-CD1 3.44Å; F450-I452 VanDerWaalsContact CE1-CD1 3.44Å; F450-I452 HydrophobicContact CE1-CG1 3.74Å; F450-I452 HydrophobicContact CZ-CD1 3.88Å; F450-I452 HydrophobicContact CZ-CG1 4.16Å
453	G	95.6	Very high	90.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	160.4	164.2	0	0	0	0	0	111.8	Y343	Y343-G453 WeakPolarHBondContact CD1-O 3.1Å; Y343-G453 VanDerWaalsContact CE1-C 3.43Å; Y343-G453 WeakPolarHBondContact CE1-O 3.48Å; Y343-G453 PolarHBondContact N-O 3.1Å; Y343-G453 PolarHBondContact O-N 3.49Å
454	V	95.6	Very high	89.3	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	21%	0.207	C	C	.	.			trans	-156.1	158.8	179.2	75.4	0	0	0	0	111	V237 R241 W279	V237-V454 HydrophobicContact CG1-CG1 4.21Å; R241-V454 HydrophobicContact CB-CG1 4.43Å; R241-V454 HydrophobicContact CG-CG1 3.99Å; R241-V454 PolarHBondContact NH1-O 3.38Å; W279-V454 HydrophobicContact CE3-CB 4.29Å; W279-V454 HydrophobicContact CE3-CG1 4.36Å; W279-V454 HydrophobicContact CE3-CG2 3.94Å; W279-V454 HydrophobicContact CH2-CB 4.2Å; W279-V454 HydrophobicContact CH2-CG1 3.53Å; W279-V454 HydrophobicContact CZ2-CG1 4.29Å; W279-V454 HydrophobicContact CZ3-CB 3.96Å; W279-V454 HydrophobicContact CZ3-CG1 3.55Å; W279-V454 HydrophobicContact CZ3-CG2 3.87Å
455	W	93.4	Very high	87.8	Confident	121 Å²	121	46.8 Å²	46.8	46%	0.458	22%	0.223	S	C	.	.			trans	-111.2	143.2	165.1	-58.1	63.6	0	0	0	110.2	S339 T340 Y343	S339-W455 WeakPolarHBondContact CA-O 3.41Å; T340-W455 HydrophobicContact CG2-CB 3.83Å; T340-W455 PolarHBondContact N-O 3.34Å; T340-W455 WeakPolarHBondContact OG1-CB 3.36Å; T340-W455 PolarHBondContact OG1-N 2.99Å; T340-W455 PolarHBondContact OG1-O 3.24Å; T340-W455 VanDerWaalsContact OG1-O 3.11Å; Y343-W455 AromaticContact CE1-CD1 3.57Å; Y343-W455 AromaticContact CE1-NE1 3.68Å; Y343-W455 AromaticContact CZ-NE1 3.82Å; Y343-W455 PolarHBondContact OH-NE1 2.82Å
456	G	90.5	Very high	86.2	Confident	9 Å²	9	47.8 Å²	47.8	9%	0.093	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-64.1	140.9	165.4	0	0	0	0	0	110.3	I458	G456-I458 PolarHBondContact O-N 3.3Å
457	R	90.1	Very high	84.3	Confident	102 Å²	102	48 Å²	48	39%	0.385	23%	0.227	S	C	.	.			trans	-83.8	96.2	170.2	-176.3	-174	177.5	121.4	3.5	108.1	R317 Q338	R317-R457 PolarHBondContact O-NH2 3.43Å; Q338-R457 HydrophobicContact CB-CB 4.11Å; Q338-R457 VanDerWaalsContact O-CB 3.31Å; Q338-R457 WeakPolarHBondContact O-CB 3.41Å; Q338-R457 PolarHBondContact O-N 3.48Å
458	I	85.6	Confident	82.3	Confident	41 Å²	41	53.6 Å²	53.6	21%	0.21	25%	0.253	C	S	.	.			trans	-120.4	132.7	-177	-50.5	163.2	0	0	0	109.3	I242 Q245 G456 M463	I242-I458 HydrophobicContact CG2-CD1 4.47Å; I242-I458 HydrophobicContact CG2-CG1 4.49Å; Q245-I458 HydrophobicContact CB-CD1 3.53Å; G456-I458 PolarHBondContact O-N 3.3Å; I458-M463 HydrophobicContact CB-CE 4.43Å; I458-M463 HydrophobicContact CG2-CE 3.47Å; I458-M463 VanDerWaalsContact CG2-CE 3.47Å; I458-M463 HydrophobicContact CG2-CG 3.88Å
459	T	81.1	Confident	80.3	Confident	46 Å²	46	57 Å²	57	28%	0.282	27%	0.266	S	S	.	.			trans	-114.5	159.1	170.7	71.8	0	0	0	0	111.2	E461 D462 M463	T459-E461 PolarHBondContact O-N 2.78Å; T459-D462 WeakPolarHBondContact CB-OD2 3.48Å; T459-D462 PolarHBondContact N-OD2 3.36Å; T459-D462 WeakPolarHBondContact O-CB 3.28Å; T459-D462 PolarHBondContact O-N 2.71Å; T459-D462 PolarHBondContact OG1-N 2.86Å; T459-D462 PolarHBondContact OG1-OD1 3.24Å; T459-D462 PolarHBondContact OG1-OD2 3.28Å; T459-M463 PolarHBondContact O-N 2.63Å
460	M	74.8	Confident	78.4	Confident	133 Å²	133	63 Å²	63	66%	0.655	29%	0.285	S	S	*	.	H	α-helix	trans	-57.9	-35.7	176.2	-68.4	-63.2	-71.2	0	0	112.4	D462 M463 Q464	M460-D462 VanDerWaalsContact C-N 3.32Å; M460-D462 PolarHBondContact O-N 3.13Å; M460-M463 PolarHBondContact O-N 2.88Å; M460-M463 HydrophobicContact SD-SD 4.45Å; M460-Q464 WeakPolarHBondContact O-CG 3.37Å; M460-Q464 PolarHBondContact O-N 3.33Å; M460-Q464 VanDerWaalsContact O-N 3.13Å
461	E	73.2	Confident	76	Confident	113 Å²	113	72.2 Å²	72.2	53%	0.528	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-41.7	174.6	-65.3	173.9	176.7	0	0	111.5	K319 T459 M463 Q464 H465	K319-E461 IonicContact NZ-OE2 3.28Å; K319-E461 PolarHBondContact NZ-OE2 3.43Å; T459-E461 PolarHBondContact O-N 2.78Å; E461-M463 PolarHBondContact O-N 3.3Å; E461-Q464 PolarHBondContact O-N 3.25Å; E461-H465 WeakPolarHBondContact O-CB 3.21Å; E461-H465 PolarHBondContact O-N 3.13Å
462	D	75.6	Confident	73.4	Confident	44 Å²	44	80.3 Å²	80.3	24%	0.235	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-39.9	-178.4	-51.2	-36.1	0	0	0	110.4	M250 K319 T459 M460 H466	M250-D462 HydrophobicContact SD-CB 4.2Å; K319-D462 IonicContact NZ-OD1 2.85Å; K319-D462 PolarHBondContact NZ-OD1 2.94Å; T459-D462 WeakPolarHBondContact CB-OD2 3.48Å; T459-D462 PolarHBondContact N-OD2 3.36Å; T459-D462 WeakPolarHBondContact O-CB 3.28Å; T459-D462 PolarHBondContact O-N 2.71Å; T459-D462 PolarHBondContact OG1-N 2.86Å; T459-D462 PolarHBondContact OG1-OD1 3.24Å; T459-D462 PolarHBondContact OG1-OD2 3.28Å; M460-D462 VanDerWaalsContact C-N 3.32Å; M460-D462 PolarHBondContact O-N 3.13Å; D462-H466 PolarHBondContact O-CD2 3.16Å; D462-H466 VanDerWaalsContact O-CD2 3.3Å; D462-H466 PolarHBondContact O-N 3.07Å
463	M	75.5	Confident	70.6	Confident	27 Å²	27	89 Å²	89	13%	0.133	40%	0.402	C	S	.	.	H	α-helix	trans	-64.6	-41.9	176.1	-61.2	-174.9	-169.5	0	0	112.6	H249 I458 T459 M460 E461 H467	H249-M463 HydrophobicContact CB-CB 4.28Å; H249-M463 HydrophobicContact CB-CG 4.42Å; I458-M463 HydrophobicContact CB-CE 4.43Å; I458-M463 HydrophobicContact CG2-CE 3.47Å; I458-M463 VanDerWaalsContact CG2-CE 3.47Å; I458-M463 HydrophobicContact CG2-CG 3.88Å; T459-M463 PolarHBondContact O-N 2.63Å; M460-M463 PolarHBondContact O-N 2.88Å; M460-M463 HydrophobicContact SD-SD 4.45Å; E461-M463 PolarHBondContact O-N 3.3Å; M463-H467 PolarHBondContact O-N 3.47Å
464	Q	68.6	Low	69.4	Low	115 Å²	115	93.5 Å²	93.5	54%	0.537	42%	0.422	S	S	.	.	H	α-helix	trans	-67.9	-42.4	-180	-72.7	176.5	-8.8	0	0	112	M460 E461 H466 H467 H468	M460-Q464 WeakPolarHBondContact O-CG 3.37Å; M460-Q464 PolarHBondContact O-N 3.33Å; M460-Q464 VanDerWaalsContact O-N 3.13Å; E461-Q464 PolarHBondContact O-N 3.25Å; Q464-H466 VanDerWaalsContact C-N 3.31Å; Q464-H466 PolarHBondContact O-N 3.21Å; Q464-H467 WeakPolarHBondContact O-CB 3.47Å; Q464-H467 PolarHBondContact O-N 3.37Å; Q464-H468 PolarHBondContact O-CD2 3.14Å; Q464-H468 PolarHBondContact O-N 3.38Å; Q464-H468 VanDerWaalsContact O-N 3.14Å
465	H	66.6	Low	68	Low	96 Å²	96	98.4 Å²	98.4	44%	0.444	44%	0.443	S	S	.	.	H	α-helix	trans	-60.9	-39.2	179.8	-167	63	0	0	0	112.6	E461 R469	E461-H465 WeakPolarHBondContact O-CB 3.21Å; E461-H465 PolarHBondContact O-N 3.13Å; H465-R469 VanDerWaalsContact NE2-CZ 3.33Å; H465-R469 PolarHBondContact NE2-NE 3.27Å; H465-R469 PolarHBondContact NE2-NH2 3.41Å; H465-R469 VanDerWaalsContact NE2-NH2 3.14Å; H465-R469 PolarHBondContact O-N 3.03Å
466	H	64.1	Low	66.6	Low	33 Å²	33	97.1 Å²	97.1	15%	0.153	44%	0.443	C	S	.	.	H	α-helix	trans	-71.9	-34.3	176.7	-83.4	-77	0	0	0	113.5	M250 D335 Y337 D462 Q464 R469 R470	M250-H466 WeakPolarHBondContact CE-CD2 3.45Å; M250-H466 WeakPolarHBondContact CE-NE2 3.45Å; M250-H466 HydrophobicContact CG-CB 3.97Å; D335-H466 IonicContact OD2-CE1 3.54Å; Y337-H466 PolarHBondContact OH-CE1 3.37Å; D462-H466 PolarHBondContact O-CD2 3.16Å; D462-H466 VanDerWaalsContact O-CD2 3.3Å; D462-H466 PolarHBondContact O-N 3.07Å; Q464-H466 VanDerWaalsContact C-N 3.31Å; Q464-H466 PolarHBondContact O-N 3.21Å; H466-R469 PolarHBondContact O-N 3.1Å; H466-R470 PolarHBondContact O-N 3.14Å; H466-R470 VanDerWaalsContact O-N 3.14Å
467	H	58.8	Low	65.2	Low	84 Å²	84	102.3 Å²	102.3	39%	0.389	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-44.3	173.1	-100.9	-52.9	0	0	0	113	H249 M463 Q464 R469 R470	H249-H467 AromaticContact CE1-CD2 3.94Å; H249-H467 AromaticContact CE1-CE1 3.72Å; H249-H467 AromaticContact CE1-NE2 2.98Å; H249-H467 PolarHBondContact CE1-NE2 2.81Å; H249-H467 AromaticContact CG-NE2 3.73Å; H249-H467 AromaticContact ND1-CD2 3.57Å; H249-H467 AromaticContact ND1-CE1 3.37Å; H249-H467 PolarHBondContact ND1-CE1 2.88Å; H249-H467 AromaticContact ND1-NE2 2.81Å; H249-H467 PolarHBondContact ND1-NE2 3.04Å; H249-H467 AromaticContact NE2-NE2 3.9Å; M463-H467 PolarHBondContact O-N 3.47Å; Q464-H467 WeakPolarHBondContact O-CB 3.47Å; Q464-H467 PolarHBondContact O-N 3.37Å; H467-R469 VanDerWaalsContact C-N 3.33Å; H467-R469 PolarHBondContact O-N 3.31Å; H467-R470 PolarHBondContact O-N 3.14Å
468	H	54.8	Low	63.6	Low	116 Å²	116	102.3 Å²	102.3	54%	0.537	47%	0.468	S	S	.	.	H	α-helix	trans	-66.1	-35.8	178.9	-72.1	-64.5	0	0	0	112.1	Q464 R471 H472	Q464-H468 PolarHBondContact O-CD2 3.14Å; Q464-H468 PolarHBondContact O-N 3.38Å; Q464-H468 VanDerWaalsContact O-N 3.14Å; H468-R471 PolarHBondContact O-N 3.3Å; H468-H472 PolarHBondContact O-CD2 3.41Å; H468-H472 VanDerWaalsContact O-CD2 3.22Å
469	R	57.2	Low	62.2	Low	80 Å²	80	106.4 Å²	106.4	30%	0.302	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-37.7	176.2	-74.6	-178.3	174.1	179.9	1.7	113.4	H333 D335 H465 H466 H467 R471 H472	H333-R469 PolarHBondContact ND1-NH1 3.47Å; D335-R469 IonicContact OD1-NH1 3.33Å; D335-R469 PolarHBondContact OD1-NH1 3.31Å; D335-R469 IonicContact OD1-NH2 3.94Å; D335-R469 IonicContact OD2-NH1 2.78Å; D335-R469 PolarHBondContact OD2-NH1 3.38Å; H465-R469 VanDerWaalsContact NE2-CZ 3.33Å; H465-R469 PolarHBondContact NE2-NE 3.27Å; H465-R469 PolarHBondContact NE2-NH2 3.41Å; H465-R469 VanDerWaalsContact NE2-NH2 3.14Å; H465-R469 PolarHBondContact O-N 3.03Å; H466-R469 PolarHBondContact O-N 3.1Å; H467-R469 VanDerWaalsContact C-N 3.33Å; H467-R469 PolarHBondContact O-N 3.31Å; R469-R471 PolarHBondContact O-N 3.38Å; R469-H472 PolarHBondContact O-N 3.22Å
470	R	55.3	Low	60.8	Low	141 Å²	141	110.7 Å²	110.7	53%	0.532	50%	0.5	S	S	.	.	H	α-helix	trans	-66.1	-19.9	176.3	-84	-170.9	173.6	172.5	2.2	114.2	T251 H466 H467	T251-R470 PolarHBondContact OG1-NH2 3.27Å; H466-R470 PolarHBondContact O-N 3.14Å; H466-R470 VanDerWaalsContact O-N 3.14Å; H467-R470 PolarHBondContact O-N 3.14Å
471	R	45.8	Very low	59.7	Low	204 Å²	204	109 Å²	109	77%	0.77	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.9	177.2	-71.9	-173.6	177.1	-170.6	-0.5	114.1	H468 R469	H468-R471 PolarHBondContact O-N 3.3Å; R469-R471 PolarHBondContact O-N 3.38Å
472	H	42.7	Very low	58.6	Low	170 Å²	170	108.7 Å²	108.7	79%	0.787	49%	0.485	S	S	*	.			trans	-109.5	9.9	-177.2	-73.4	-59.3	0	0	0	113.6	H468 R469	H468-H472 PolarHBondContact O-CD2 3.41Å; H468-H472 VanDerWaalsContact O-CD2 3.22Å; R469-H472 PolarHBondContact O-N 3.22Å
473	I	38.5	Very low	57.1	Low	194 Å²	194	114.5 Å²	114.5	100%	0.995	51%	0.507	S	S	*	.			trans	-112.2	0	165.3	-55.4	170.6	0	0	0	105.6

Retrieved 473 of 473 residues in 273.2 ms (Link to these results)

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