A0A087X861_POEFO Loading...

Kelch-like protein 20

AlphaFold DB , UniProt , Accession A0A087X861, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 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	32.8	Very low	30.1	Very low	231 Å²	231	158.8 Å²	158.8	100%	1.138	82%	0.819	S	S	*	*				0	110.1	0	-60.7	174	-173	0	0	105.9
2	D	33.5	Very low	30.1	Very low	138 Å²	138	153.6 Å²	153.6	74%	0.738	82%	0.816	S	S	*	*			cis	-157.1	116.8	0.7	-77.9	-39.5	0	0	0	104.4
3	T	28.5	Very low	30	Very low	119 Å²	119	159.2 Å²	159.2	73%	0.73	82%	0.819	S	S	*	*				34.9	117.5	99.4	59.1	0	0	0	0	113.6
4	K	30.4	Very low	29.7	Very low	194 Å²	194	160.8 Å²	160.8	84%	0.843	82%	0.821	S	S	*	*				156.9	-168.5	55.8	-119.4	-176.7	-178.8	174.6	0	105.2
5	P	49.6	Very low	29.5	Very low	103 Å²	103	161.6 Å²	161.6	67%	0.669	83%	0.828	S	S	*	*			cis	-139.7	175.8	-35.3	34.5	-15.2	0	0	0	114.3
6	M	27.2	Very low	29.5	Very low	173 Å²	173	157 Å²	157	85%	0.852	82%	0.822	S	S	*	*			trans	149	110.7	135.5	-84.6	-167	167.1	0	0	111.1
7	R	25.8	Very low	29.4	Very low	230 Å²	230	155.8 Å²	155.8	87%	0.868	82%	0.823	S	S	*	*				52.9	123.1	100	-80.9	-174.7	173.7	-174.5	-0.9	112.7
8	R	26	Very low	29.4	Very low	225 Å²	225	151.5 Å²	151.5	85%	0.849	82%	0.822	S	S	*	*			cis	-169.1	140.6	46.5	-114.6	172.6	172.8	175.2	-3.6	108.3
9	A	23.2	Very low	29.3	Very low	80 Å²	80	152.1 Å²	152.1	66%	0.661	82%	0.821	S	S	*	*				56.8	103.8	101.9	0	0	0	0	0	117
10	T	29.4	Very low	29.2	Very low	141 Å²	141	152.1 Å²	152.1	87%	0.865	82%	0.821	S	S	*	*			trans	27.9	114.2	132.1	54.5	0	0	0	0	119.4
11	S	24.1	Very low	29.3	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	81%	0.809	S	S	*	*			trans	-169.7	122.4	130.4	64	0	0	0	0	111.4
12	A	31.1	Very low	29.3	Very low	96 Å²	96	145.4 Å²	145.4	79%	0.793	79%	0.793	S	S	*	*			trans	1.8	125.4	145	0	0	0	0	0	117.8
13	R	27.9	Very low	29.2	Very low	226 Å²	226	143.2 Å²	143.2	85%	0.853	79%	0.788	S	S	*	*			trans	-168.4	101.2	149.9	-103.4	163.5	-169.2	-158.1	2.1	107.3
14	Q	26.5	Very low	29.3	Very low	182 Å²	182	149.1 Å²	149.1	85%	0.85	80%	0.797	S	S	*	*				82.6	78.6	101	-84	-177.2	-24.4	0	0	112
15	D	26.4	Very low	29.3	Very low	173 Å²	173	144.9 Å²	144.9	93%	0.925	79%	0.791	S	S	*	*			trans	-73.5	116.9	150.8	-75.1	-43.4	0	0	0	109
16	A	29.2	Very low	28.7	Very low	88 Å²	88	146.8 Å²	146.8	73%	0.727	80%	0.801	S	S	*	*			trans	179.8	128.2	157.8	0	0	0	0	0	105.2
17	T	28.4	Very low	29.2	Very low	136 Å²	136	146 Å²	146	83%	0.834	80%	0.799	S	S	*	*			cis	-158.6	125.6	47.1	45.1	0	0	0	0	110.7
18	G	28.8	Very low	29.7	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	79%	0.791	S	S	*	*			trans	-160.1	66.1	164.9	0	0	0	0	0	106.9	D20	G18-D20 PolarHBondContact O-N 3.27Å
19	M	27.7	Very low	30.4	Very low	163 Å²	163	132.5 Å²	132.5	80%	0.803	78%	0.777	S	S	*	*			trans	-64.4	107.3	-177.3	-87.8	173.4	168.9	0	0	110	I21	M19-I21 HydrophobicContact CB-CD1 4.3Å; M19-I21 HydrophobicContact CB-CG1 4.09Å; M19-I21 HydrophobicContact CE-CD1 4.13Å; M19-I21 HydrophobicContact CG-CD1 4Å; M19-I21 HydrophobicContact CG-CG1 4.05Å; M19-I21 HydrophobicContact SD-CD1 3.76Å; M19-I21 HydrophobicContact SD-CG1 4.47Å
20	D	27.7	Very low	31.5	Very low	151 Å²	151	134.8 Å²	134.8	81%	0.807	79%	0.785	S	S	*	*			trans	-108.2	88.9	150.3	-149.9	-6.1	0	0	0	107	G18 T22	G18-D20 PolarHBondContact O-N 3.27Å; D20-T22 PolarHBondContact O-N 2.84Å; D20-T22 VanDerWaalsContact O-N 3.1Å
21	I	30.5	Very low	32.4	Very low	112 Å²	112	134 Å²	134	57%	0.574	78%	0.776	S	S	*	*			trans	-80.3	89.8	-179.9	-60.9	170.1	0	0	0	107.2	M19	M19-I21 HydrophobicContact CB-CD1 4.3Å; M19-I21 HydrophobicContact CB-CG1 4.09Å; M19-I21 HydrophobicContact CE-CD1 4.13Å; M19-I21 HydrophobicContact CG-CD1 4Å; M19-I21 HydrophobicContact CG-CG1 4.05Å; M19-I21 HydrophobicContact SD-CD1 3.76Å; M19-I21 HydrophobicContact SD-CG1 4.47Å
22	T	32.8	Very low	33.4	Very low	131 Å²	131	138 Å²	138	80%	0.804	78%	0.779	S	S	*	*			trans	-125.4	41.4	147.7	52.9	0	0	0	0	110.6	D20 R24	D20-T22 PolarHBondContact O-N 2.84Å; D20-T22 VanDerWaalsContact O-N 3.1Å; T22-R24 PolarHBondContact O-N 3.12Å
23	S	31.3	Very low	34.6	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	78%	0.775	S	S	*	*			trans	-77.9	96.1	154.9	63.6	0	0	0	0	108.9
24	R	32.2	Very low	35.6	Very low	243 Å²	243	134 Å²	134	92%	0.917	77%	0.766	S	S	*	*			trans	-93.5	106.2	145.7	-99.1	-174.2	179.1	-178.4	1.2	107.5	T22 T26	T22-R24 PolarHBondContact O-N 3.12Å; R24-T26 PolarHBondContact O-N 3.33Å
25	C	30.3	Very low	36.8	Very low	106 Å²	106	135.3 Å²	135.3	72%	0.716	77%	0.772	S	S	*	*			trans	-32.9	122.1	160.8	-65.1	0	0	0	0	110.5	L27	C25-L27 PolarHBondContact O-N 3.19Å
26	T	35.7	Very low	38.3	Very low	142 Å²	142	130.9 Å²	130.9	87%	0.871	77%	0.768	S	S	*	*			trans	-64.3	77	154.8	40.4	0	0	0	0	107.8	R24 G28	R24-T26 PolarHBondContact O-N 3.33Å; T26-G28 VanDerWaalsContact C-N 3.32Å; T26-G28 PolarHBondContact O-N 2.92Å
27	L	37.4	Very low	39.6	Very low	156 Å²	156	131.3 Å²	131.3	82%	0.817	76%	0.761	S	S	*	*			trans	-57.1	109.7	147.9	-85.2	156.4	0	0	0	104.4	C25 D29	C25-L27 PolarHBondContact O-N 3.19Å; L27-D29 PolarHBondContact O-N 2.94Å
28	G	36.6	Very low	41	Very low	68 Å²	68	130.3 Å²	130.3	70%	0.701	76%	0.757	S	S	*	*			trans	-48.1	120.1	176	0	0	0	0	0	108.5	T26 P30	T26-G28 VanDerWaalsContact C-N 3.32Å; T26-G28 PolarHBondContact O-N 2.92Å; G28-P30 WeakPolarHBondContact O-CD 3.35Å
29	D	42.3	Very low	42.5	Very low	104 Å²	104	134.9 Å²	134.9	56%	0.556	76%	0.757	S	S	*	*			trans	-55.9	119.4	178.4	-170.5	-9.6	0	0	0	108.1	L27 N31 K32	L27-D29 PolarHBondContact O-N 2.94Å; D29-N31 PolarHBondContact O-N 3.38Å; D29-N31 WeakPolarHBondContact OD1-CB 3.46Å; D29-N31 PolarHBondContact OD1-N 3.07Å; D29-K32 PolarHBondContact O-N 3.06Å
30	P	45	Very low	44.4	Very low	128 Å²	128	131.5 Å²	131.5	83%	0.831	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-3.5	178.3	10.9	-10.9	0	0	0	113	G28	G28-P30 WeakPolarHBondContact O-CD 3.35Å
31	N	47.9	Very low	46.4	Very low	124 Å²	124	129.6 Å²	129.6	66%	0.663	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	17.6	180	-69.4	-40.2	0	0	0	115.8	D29 L33	D29-N31 PolarHBondContact O-N 3.38Å; D29-N31 WeakPolarHBondContact OD1-CB 3.46Å; D29-N31 PolarHBondContact OD1-N 3.07Å; N31-L33 VanDerWaalsContact C-N 3.27Å; N31-L33 PolarHBondContact O-N 2.81Å
32	K	45.7	Very low	48.7	Very low	197 Å²	197	134.6 Å²	134.6	86%	0.857	76%	0.764	S	S	*	*			trans	-71.1	85.7	169.8	-105.4	-172.7	176.9	-174	0	110.9	D29	D29-K32 PolarHBondContact O-N 3.06Å
33	L	56.1	Low	51	Low	137 Å²	137	136.7 Å²	136.7	72%	0.717	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.1	147.4	167.7	-75.6	159.2	0	0	0	110.2	N31	N31-L33 VanDerWaalsContact C-N 3.27Å; N31-L33 PolarHBondContact O-N 2.81Å
34	P	48.5	Very low	53.4	Low	102 Å²	102	138 Å²	138	66%	0.662	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-61.9	144.9	-176.9	25.4	-32.9	0	0	0	111.7	G36	P34-G36 PolarHBondContact O-N 3.34Å
35	E	53.1	Low	56.1	Low	209 Å²	209	135.2 Å²	135.2	98%	0.977	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	122	179.7	-74.2	179.8	159.8	0	0	110.9
36	G	56.4	Low	58.9	Low	80 Å²	80	137 Å²	137	83%	0.825	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.8	-7.7	178.6	0	0	0	0	0	115.7	P34	P34-G36 PolarHBondContact O-N 3.34Å
37	V	56.4	Low	61.6	Low	98 Å²	98	131.9 Å²	131.9	59%	0.594	74%	0.735	S	S	*	*	S	Bend	trans	-94.6	130.1	173.8	-168.7	0	0	0	0	109.6	Q39	V37-Q39 PolarHBondContact O-N 3.35Å; V37-Q39 VanDerWaalsContact O-N 3.12Å
38	P	57.8	Low	64.1	Low	115 Å²	115	131.5 Å²	131.5	75%	0.747	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-57.8	120	175.9	-16.4	27.5	0	0	0	109.2
39	Q	62	Low	66.7	Low	174 Å²	174	135.4 Å²	135.4	81%	0.813	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-62.2	128.3	169.8	-75.6	-173.7	6.1	0	0	107.6	V37 A41	V37-Q39 PolarHBondContact O-N 3.35Å; V37-Q39 VanDerWaalsContact O-N 3.12Å; Q39-A41 PolarHBondContact O-N 3.47Å
40	P	67	Low	69.1	Low	93 Å²	93	136 Å²	136	60%	0.604	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-57.5	138.7	178.8	22.4	-31	0	0	0	108.7	R42	P40-R42 WeakPolarHBondContact O-CG 3.5Å; P40-R42 PolarHBondContact O-N 3.26Å
41	A	70	Confident	71.2	Confident	110 Å²	110	133.5 Å²	133.5	91%	0.909	71%	0.714	S	S	*	*			trans	-54.7	110.6	178.7	0	0	0	0	0	109.5	Q39	Q39-A41 PolarHBondContact O-N 3.47Å
42	R	78.2	Confident	73.2	Confident	217 Å²	217	135.3 Å²	135.3	82%	0.819	71%	0.712	S	S	*	*			trans	-102.2	117.6	176.4	-71.5	-179	-177.9	-174.9	1.1	108.3	P40	P40-R42 WeakPolarHBondContact O-CG 3.5Å; P40-R42 PolarHBondContact O-N 3.26Å
43	M	81.6	Confident	75.5	Confident	175 Å²	175	131.1 Å²	131.1	86%	0.862	70%	0.695	S	S	*	*			trans	-116.6	101.8	171.8	-174.4	177.6	-178.1	0	0	108.5	Y45	M43-Y45 PolarHBondContact O-N 2.74Å
44	P	82.2	Confident	77.3	Confident	119 Å²	119	127.2 Å²	127.2	77%	0.773	68%	0.677	S	S	*	*			trans	-66.7	124.9	173.1	26.9	-31.1	0	0	0	109.3
45	Y	88.9	Confident	79.4	Confident	186 Å²	186	124.6 Å²	124.6	73%	0.729	66%	0.657	S	S	*	*			trans	-109.7	126.4	175.2	172.7	-105.1	0	0	0	109.6	M43 S47	M43-Y45 PolarHBondContact O-N 2.74Å; Y45-S47 PolarHBondContact OH-OG 3.45Å
46	I	89	Confident	81.3	Confident	144 Å²	144	119.4 Å²	119.4	74%	0.738	63%	0.633	S	S	*	*			trans	-116.7	121.8	174.3	-59.3	173.6	0	0	0	106.6
47	S	90.6	Very high	83.2	Confident	33 Å²	33	119.8 Å²	119.8	23%	0.231	62%	0.619	C	S	.	*			trans	-94.3	113.3	-178.5	-176.2	0	0	0	0	110.7	Y45 K49 H50 P51	Y45-S47 PolarHBondContact OH-OG 3.45Å; S47-K49 PolarHBondContact O-N 3.35Å; S47-H50 PolarHBondContact OG-N 3.14Å; S47-P51 VanDerWaalsContact O-CD 3.31Å; S47-P51 WeakPolarHBondContact O-CD 3.21Å
48	D	89.9	Confident	85	Confident	148 Å²	148	117 Å²	117	79%	0.791	60%	0.6	S	S	*	*	S	Bend	trans	-70.1	-20	173.8	-58.3	-37.8	0	0	0	112.6
49	K	91.7	Very high	86.8	Confident	150 Å²	150	112.3 Å²	112.3	65%	0.652	57%	0.569	S	S	*	*	H	α-helix	trans	-85.9	-30.7	-177.2	-62.4	-178.2	-177.2	178.3	0	113.1	S47 R52 Q53	S47-K49 PolarHBondContact O-N 3.35Å; K49-R52 PolarHBondContact O-N 3.24Å; K49-Q53 WeakPolarHBondContact O-CG 3.49Å; K49-Q53 PolarHBondContact O-N 3.47Å
50	H	92.9	Very high	88.4	Confident	116 Å²	116	108.5 Å²	108.5	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-61.6	-45	-171.5	179.7	64.3	0	0	0	113.5	S47 R52 Q53 T54	S47-H50 PolarHBondContact OG-N 3.14Å; H50-R52 PolarHBondContact O-N 3.27Å; H50-Q53 PolarHBondContact O-N 3.04Å; H50-T54 PolarHBondContact CE1-OG1 3.01Å; H50-T54 VanDerWaalsContact O-CB 3.28Å; H50-T54 WeakPolarHBondContact O-CB 3.38Å; H50-T54 PolarHBondContact O-N 3.28Å; H50-T54 PolarHBondContact O-OG1 3.29Å
51	P	90.1	Very high	89.7	Confident	77 Å²	77	106 Å²	106	50%	0.5	54%	0.535	S	S	.	.	H	α-helix	trans	-60	-45	178.2	-24.4	34.4	0	0	0	112.8	S47 T54 L55	S47-P51 VanDerWaalsContact O-CD 3.31Å; S47-P51 WeakPolarHBondContact O-CD 3.21Å; P51-T54 PolarHBondContact O-N 3.43Å; P51-L55 PolarHBondContact O-N 3Å
52	R	89.7	Confident	91	Very high	162 Å²	162	102 Å²	102	61%	0.611	50%	0.496	S	S	*	.	H	α-helix	trans	-63.2	-50.5	179.4	-177.9	178.1	173.4	145.4	0.9	111.9	K49 H50 T54 L55 E56	K49-R52 PolarHBondContact O-N 3.24Å; H50-R52 PolarHBondContact O-N 3.27Å; R52-T54 VanDerWaalsContact C-N 3.26Å; R52-T54 PolarHBondContact O-N 2.71Å; R52-L55 PolarHBondContact O-N 3.47Å; R52-E56 WeakPolarHBondContact CG-OE1 3.31Å; R52-E56 IonicContact CZ-OE1 3.26Å; R52-E56 IonicContact NE-OE1 2.76Å; R52-E56 PolarHBondContact NE-OE1 3.28Å; R52-E56 IonicContact NH2-OE1 3.23Å; R52-E56 WeakPolarHBondContact O-CB 3.43Å; R52-E56 WeakPolarHBondContact O-CG 3.22Å; R52-E56 PolarHBondContact O-N 2.96Å
53	Q	92.9	Very high	91.7	Very high	109 Å²	109	98.4 Å²	98.4	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-37	179.3	-72.4	178.2	-26	0	0	111.9	K49 H50 E56 V57	K49-Q53 WeakPolarHBondContact O-CG 3.49Å; K49-Q53 PolarHBondContact O-N 3.47Å; H50-Q53 PolarHBondContact O-N 3.04Å; Q53-E56 PolarHBondContact O-N 3.35Å; Q53-V57 WeakPolarHBondContact O-CG2 3.42Å; Q53-V57 PolarHBondContact O-N 3.39Å; Q53-V57 VanDerWaalsContact O-N 3.07Å
54	T	93.8	Very high	92.3	Very high	54 Å²	54	95.5 Å²	95.5	33%	0.331	47%	0.471	S	S	.	.	H	α-helix	trans	-66.2	-47.2	178.3	-57.9	0	0	0	0	110.9	H50 P51 R52 E56 V57 I58	H50-T54 PolarHBondContact CE1-OG1 3.01Å; H50-T54 VanDerWaalsContact O-CB 3.28Å; H50-T54 WeakPolarHBondContact O-CB 3.38Å; H50-T54 PolarHBondContact O-N 3.28Å; H50-T54 PolarHBondContact O-OG1 3.29Å; P51-T54 PolarHBondContact O-N 3.43Å; R52-T54 VanDerWaalsContact C-N 3.26Å; R52-T54 PolarHBondContact O-N 2.71Å; T54-E56 VanDerWaalsContact C-N 3.35Å; T54-E56 PolarHBondContact O-N 2.97Å; T54-V57 PolarHBondContact O-N 3.39Å; T54-I58 HydrophobicContact CG2-CD1 3.8Å; T54-I58 VanDerWaalsContact O-CG1 3.25Å; T54-I58 WeakPolarHBondContact O-CG1 3.45Å; T54-I58 PolarHBondContact O-N 3.31Å
55	L	93.3	Very high	92.9	Very high	47 Å²	47	97.4 Å²	97.4	25%	0.246	46%	0.463	C	S	.	.	H	α-helix	trans	-62.9	-38.8	175.3	-81.5	169.5	0	0	0	112.6	P51 R52 V57 I58 N59 I85	P51-L55 PolarHBondContact O-N 3Å; R52-L55 PolarHBondContact O-N 3.47Å; L55-V57 PolarHBondContact O-N 3.3Å; L55-I58 PolarHBondContact O-N 3.37Å; L55-N59 WeakPolarHBondContact O-CB 3.28Å; L55-N59 PolarHBondContact O-N 3.3Å; L55-I85 HydrophobicContact CD2-CD1 4.47Å
56	E	93.5	Very high	93.1	Very high	101 Å²	101	93.1 Å²	93.1	47%	0.472	45%	0.449	S	S	.	.	H	α-helix	trans	-58.8	-45.3	174.8	-77.6	172.5	-175.4	0	0	111.8	R52 Q53 T54 N59 L60	R52-E56 WeakPolarHBondContact CG-OE1 3.31Å; R52-E56 IonicContact CZ-OE1 3.26Å; R52-E56 IonicContact NE-OE1 2.76Å; R52-E56 PolarHBondContact NE-OE1 3.28Å; R52-E56 IonicContact NH2-OE1 3.23Å; R52-E56 WeakPolarHBondContact O-CB 3.43Å; R52-E56 WeakPolarHBondContact O-CG 3.22Å; R52-E56 PolarHBondContact O-N 2.96Å; Q53-E56 PolarHBondContact O-N 3.35Å; T54-E56 VanDerWaalsContact C-N 3.35Å; T54-E56 PolarHBondContact O-N 2.97Å; E56-N59 PolarHBondContact O-N 3.18Å; E56-L60 PolarHBondContact O-N 3.4Å; E56-L60 VanDerWaalsContact O-N 3.15Å
57	V	95.1	Very high	93.3	Very high	87 Å²	87	92.9 Å²	92.9	53%	0.527	45%	0.449	S	S	.	.	H	α-helix	trans	-66.4	-43.8	176.1	173.5	0	0	0	0	111.4	Q53 T54 L55 N59 L60 L61	Q53-V57 WeakPolarHBondContact O-CG2 3.42Å; Q53-V57 PolarHBondContact O-N 3.39Å; Q53-V57 VanDerWaalsContact O-N 3.07Å; T54-V57 PolarHBondContact O-N 3.39Å; L55-V57 PolarHBondContact O-N 3.3Å; V57-N59 VanDerWaalsContact C-N 3.28Å; V57-N59 PolarHBondContact O-N 2.99Å; V57-L60 WeakPolarHBondContact O-CB 3.25Å; V57-L60 PolarHBondContact O-N 3.37Å; V57-L61 WeakPolarHBondContact O-CG 3.33Å; V57-L61 PolarHBondContact O-N 2.85Å
58	I	95.6	Very high	93.4	Very high	39 Å²	39	93 Å²	93	20%	0.2	45%	0.449	C	S	.	.	H	α-helix	trans	-63.6	-36	178.9	-67.3	169	0	0	0	111.2	T54 L55 L60 L61 R62 I85 Y127	T54-I58 HydrophobicContact CG2-CD1 3.8Å; T54-I58 VanDerWaalsContact O-CG1 3.25Å; T54-I58 WeakPolarHBondContact O-CG1 3.45Å; T54-I58 PolarHBondContact O-N 3.31Å; L55-I58 PolarHBondContact O-N 3.37Å; I58-L60 VanDerWaalsContact C-N 3.33Å; I58-L61 PolarHBondContact O-N 3.44Å; I58-R62 PolarHBondContact O-N 3.07Å; I58-I85 HydrophobicContact CD1-CD1 4.11Å; I58-I85 HydrophobicContact CG2-CD1 4.05Å; I58-I85 HydrophobicContact CG2-CG1 3.89Å; I58-Y127 HydrophobicContact CG2-CD1 3.87Å; I58-Y127 HydrophobicContact CG2-CE1 3.66Å
59	N	95.3	Very high	93.5	Very high	17 Å²	17	89.5 Å²	89.5	9%	0.091	43%	0.431	C	S	.	.	H	α-helix	trans	-64.7	-37.2	173.3	-166.1	24.1	0	0	0	111.9	L55 E56 V57 R62 K63 Y127	L55-N59 WeakPolarHBondContact O-CB 3.28Å; L55-N59 PolarHBondContact O-N 3.3Å; E56-N59 PolarHBondContact O-N 3.18Å; V57-N59 VanDerWaalsContact C-N 3.28Å; V57-N59 PolarHBondContact O-N 2.99Å; N59-R62 WeakPolarHBondContact O-CB 3.27Å; N59-R62 PolarHBondContact O-N 3.15Å; N59-R62 PolarHBondContact OD1-NE 3.42Å; N59-R62 PolarHBondContact OD1-NH2 3.38Å; N59-K63 WeakPolarHBondContact O-CG 3.47Å; N59-K63 PolarHBondContact O-N 3Å; N59-Y127 HydrophobicContact CB-CD1 4.31Å; N59-Y127 HydrophobicContact CB-CG 4.48Å
60	L	95.2	Very high	93.6	Very high	94 Å²	94	82.5 Å²	82.5	49%	0.492	40%	0.4	S	S	.	.	H	α-helix	trans	-63.3	-45.9	174.8	-174	68.1	0	0	0	111	E56 V57 I58 R62 K63 H64	E56-L60 PolarHBondContact O-N 3.4Å; E56-L60 VanDerWaalsContact O-N 3.15Å; V57-L60 WeakPolarHBondContact O-CB 3.25Å; V57-L60 PolarHBondContact O-N 3.37Å; I58-L60 VanDerWaalsContact C-N 3.33Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-R62 PolarHBondContact O-N 3.02Å; L60-K63 PolarHBondContact O-N 2.96Å; L60-K63 VanDerWaalsContact O-N 3.15Å; L60-H64 PolarHBondContact O-N 3.41Å
61	L	95.4	Very high	93.7	Very high	42 Å²	42	77.8 Å²	77.8	22%	0.22	38%	0.379	C	S	.	.	H	α-helix	trans	-57.2	-45.2	174.9	-63.6	174.5	0	0	0	111.1	V57 I58 K63 H64 R65 E66 L67	V57-L61 WeakPolarHBondContact O-CG 3.33Å; V57-L61 PolarHBondContact O-N 2.85Å; I58-L61 PolarHBondContact O-N 3.44Å; L61-K63 PolarHBondContact O-N 3.19Å; L61-H64 CarbonylContact O-C 3.5Å; L61-H64 PolarHBondContact O-N 2.92Å; L61-R65 PolarHBondContact O-N 3.07Å; L61-E66 HydrophobicContact CB-CB 4.34Å; L61-E66 HydrophobicContact CD2-CB 4.05Å; L61-E66 WeakPolarHBondContact CD2-OE2 3.45Å; L61-E66 PolarHBondContact O-N 3.37Å; L61-L67 HydrophobicContact CD1-CD1 4.4Å
62	R	95.4	Very high	93.9	Very high	24 Å²	24	74.1 Å²	74.1	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-47.8	175.2	-175.6	-170.4	64.8	121.8	-5.1	111.8	I58 N59 L60 H64 R65 Y80 D124 Y127	I58-R62 PolarHBondContact O-N 3.07Å; N59-R62 WeakPolarHBondContact O-CB 3.27Å; N59-R62 PolarHBondContact O-N 3.15Å; N59-R62 PolarHBondContact OD1-NE 3.42Å; N59-R62 PolarHBondContact OD1-NH2 3.38Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-R62 PolarHBondContact O-N 3.02Å; R62-H64 VanDerWaalsContact C-N 3.27Å; R62-H64 PolarHBondContact O-N 3Å; R62-R65 PolarHBondContact O-N 3Å; R62-Y80 WeakPolarHBondContact CD-O 3.42Å; R62-Y80 WeakPolarHBondContact CG-O 3.25Å; R62-D124 IonicContact CZ-OD1 3.67Å; R62-D124 VanDerWaalsContact CZ-OD1 3.24Å; R62-D124 IonicContact NH1-OD1 3.24Å; R62-D124 PolarHBondContact NH1-OD1 3.15Å; R62-D124 IonicContact NH2-OD1 2.77Å; R62-D124 PolarHBondContact NH2-OD1 3.29Å; R62-Y127 HydrophobicContact CB-CD1 4.43Å; R62-Y127 HydrophobicContact CB-CE1 4.09Å; R62-Y127 HydrophobicContact CG-CE1 4.42Å
63	K	93.6	Very high	94.1	Very high	143 Å²	143	67.4 Å²	67.4	62%	0.622	33%	0.333	S	S	*	.	H	α-helix	trans	-62.9	-33.6	-180	-74.6	-178.5	178.5	-175.1	0	112.4	N59 L60 L61 R65	N59-K63 WeakPolarHBondContact O-CG 3.47Å; N59-K63 PolarHBondContact O-N 3Å; L60-K63 PolarHBondContact O-N 2.96Å; L60-K63 VanDerWaalsContact O-N 3.15Å; L61-K63 PolarHBondContact O-N 3.19Å; K63-R65 VanDerWaalsContact C-N 3.3Å
64	H	94.8	Very high	94.2	Very high	114 Å²	114	62.3 Å²	62.3	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-83.7	-4.3	174.4	-68.6	-170.8	0	0	0	113.6	L60 L61 R62 E66	L60-H64 PolarHBondContact O-N 3.41Å; L61-H64 CarbonylContact O-C 3.5Å; L61-H64 PolarHBondContact O-N 2.92Å; R62-H64 VanDerWaalsContact C-N 3.27Å; R62-H64 PolarHBondContact O-N 3Å; H64-E66 HydrophobicContact CB-CG 3.97Å; H64-E66 IonicContact ND1-OE1 2.77Å; H64-E66 PolarHBondContact O-N 3.27Å
65	R	94.3	Very high	93.9	Very high	159 Å²	159	62.8 Å²	62.8	60%	0.6	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	29.3	-175.5	-47.6	179.1	-174.3	-177.7	1.3	113	L61 R62 K63 Y80	L61-R65 PolarHBondContact O-N 3.07Å; R62-R65 PolarHBondContact O-N 3Å; K63-R65 VanDerWaalsContact C-N 3.3Å; R65-Y80 HydrophobicContact CG-CD1 4.38Å; R65-Y80 HydrophobicContact CG-CD2 4.3Å; R65-Y80 HydrophobicContact CG-CG 4.13Å
66	E	92.4	Very high	93.7	Very high	95 Å²	95	65 Å²	65	44%	0.444	35%	0.35	S	S	.	.			trans	-87.3	133.9	175.5	-67.7	175.3	-160	0	0	109.3	L61 H64 C68 H82	L61-E66 HydrophobicContact CB-CB 4.34Å; L61-E66 HydrophobicContact CD2-CB 4.05Å; L61-E66 WeakPolarHBondContact CD2-OE2 3.45Å; L61-E66 PolarHBondContact O-N 3.37Å; H64-E66 HydrophobicContact CB-CG 3.97Å; H64-E66 IonicContact ND1-OE1 2.77Å; H64-E66 PolarHBondContact O-N 3.27Å; E66-C68 PolarHBondContact O-N 2.83Å; E66-H82 PolarHBondContact O-NE2 3.13Å
67	L	92.9	Very high	93.7	Very high	140 Å²	140	63.3 Å²	63.3	73%	0.733	34%	0.341	S	S	*	.	S	Bend	trans	60	8.4	178.4	-53	178	0	0	0	116	L61 D69 H82	L61-L67 HydrophobicContact CD1-CD1 4.4Å; L67-D69 PolarHBondContact O-N 3.38Å; L67-H82 PolarHBondContact O-CD2 2.8Å
68	C	92.8	Very high	93.6	Very high	34 Å²	34	64.1 Å²	64.1	23%	0.23	34%	0.337	C	S	.	.			trans	-64.4	120.7	172.6	-65.5	0	0	0	0	110.8	E66 A81	E66-C68 PolarHBondContact O-N 2.83Å; C68-A81 WeakPolarHBondContact CA-O 3.35Å
69	D	93.3	Very high	93.6	Very high	76 Å²	76	62.8 Å²	62.8	41%	0.406	33%	0.33	S	S	.	.			trans	-108.6	4.2	-176.6	62.2	-7.2	0	0	0	112.9	L67 A81 H82 R83	L67-D69 PolarHBondContact O-N 3.38Å; D69-A81 PolarHBondContact N-O 3.28Å; D69-H82 WeakPolarHBondContact OD1-CA 3.37Å; D69-R83 PolarHBondContact O-NE 3.05Å; D69-R83 WeakPolarHBondContact OD1-CG 3.43Å; D69-R83 PolarHBondContact OD1-N 2.59Å
70	V	94.1	Very high	93.6	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	146.4	172.6	65.6	0	0	0	0	112.1	L72 A81 R83 L86 F97 V109	V70-L72 HydrophobicContact CG2-CD2 4.24Å; V70-A81 HydrophobicContact CG1-CB 4.13Å; V70-A81 WeakPolarHBondContact CG1-O 3.42Å; V70-A81 PolarHBondContact N-O 3.09Å; V70-A81 PolarHBondContact O-N 2.93Å; V70-A81 VanDerWaalsContact O-O 3.11Å; V70-R83 HydrophobicContact CB-CG 3.81Å; V70-R83 HydrophobicContact CG1-CG 3.74Å; V70-L86 HydrophobicContact CG1-CD1 4.4Å; V70-F97 HydrophobicContact CG1-CZ 4.35Å; V70-F97 HydrophobicContact CG2-CE1 4.16Å; V70-F97 HydrophobicContact CG2-CZ 4.05Å; V70-V109 HydrophobicContact CG2-CG2 4.1Å
71	V	94.9	Very high	93.6	Very high	17 Å²	17	60.8 Å²	60.8	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.9	169.7	-173.9	0	0	0	0	108.7	K78 I79 Y80 T107 E108 V109	V71-K78 HydrophobicContact CG1-CB 3.95Å; V71-K78 HydrophobicContact CG1-CD 4.39Å; V71-K78 HydrophobicContact CG1-CG 4.41Å; V71-I79 CarbonylContact C-O 3.57Å; V71-I79 WeakPolarHBondContact CA-O 3.26Å; V71-Y80 HydrophobicContact CG2-CD1 3.62Å; V71-Y80 HydrophobicContact CG2-CE1 3.65Å; V71-Y80 HydrophobicContact CG2-CG 4.39Å; V71-T107 PolarHBondContact N-O 2.81Å; V71-E108 HydrophobicContact CB-CG 4.2Å; V71-E108 CarbonylContact O-C 3.56Å; V71-E108 WeakPolarHBondContact O-CA 3.25Å; V71-V109 PolarHBondContact O-N 2.85Å
72	L	94.2	Very high	93.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.6	172.6	-56.7	179.6	0	0	0	109.2	V70 I79 L86 F93 F97 V109 I111 M119 I123	V70-L72 HydrophobicContact CG2-CD2 4.24Å; L72-I79 HydrophobicContact CB-CB 4.37Å; L72-I79 PolarHBondContact N-O 3.28Å; L72-I79 PolarHBondContact O-N 2.89Å; L72-L86 HydrophobicContact CD1-CD1 3.89Å; L72-L86 HydrophobicContact CG-CD1 4.47Å; L72-F93 HydrophobicContact CD1-CE1 4.12Å; L72-F93 HydrophobicContact CD1-CZ 3.87Å; L72-F93 HydrophobicContact CD2-CE1 4.22Å; L72-F97 HydrophobicContact CD2-CZ 4.45Å; L72-V109 CarbonylContact C-O 3.56Å; L72-V109 WeakPolarHBondContact CA-O 3.42Å; L72-V109 HydrophobicContact CD2-CB 4.21Å; L72-I111 HydrophobicContact CD2-CG1 4.35Å; L72-M119 HydrophobicContact CD1-CE 4.38Å; L72-I123 HydrophobicContact CD1-CD1 3.64Å; L72-I123 HydrophobicContact CD1-CG1 4.26Å
73	V	94.1	Very high	93.5	Very high	22 Å²	22	60 Å²	60	13%	0.133	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112.5	176.3	-173.3	0	0	0	0	108	K77 K78 E108 V109 V110 I111	V73-K77 WeakPolarHBondContact CA-O 3.44Å; V73-K78 HydrophobicContact CG2-CG 4.34Å; V73-E108 HydrophobicContact CG2-CB 4.41Å; V73-V109 PolarHBondContact N-O 3.09Å; V73-V110 HydrophobicContact CB-CG2 4.23Å; V73-V110 WeakPolarHBondContact O-CA 3.47Å; V73-I111 PolarHBondContact O-N 2.98Å
74	V	93.3	Very high	93.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.3	178.5	-171.8	0	0	0	0	107.7	A76 K77 I111 I114 E116 M119	V74-A76 PolarHBondContact O-N 3.06Å; V74-K77 PolarHBondContact N-O 3.39Å; V74-K77 PolarHBondContact O-N 3.3Å; V74-I111 HydrophobicContact CG2-CB 4.03Å; V74-I114 VanDerWaalsContact CG1-O 3.29Å; V74-I114 WeakPolarHBondContact CG1-O 3.33Å; V74-E116 HydrophobicContact CG1-CG 4.37Å; V74-M119 HydrophobicContact CG1-CB 4.45Å; V74-M119 HydrophobicContact CG2-CB 4.23Å; V74-M119 HydrophobicContact CG2-CE 3.79Å; V74-M119 HydrophobicContact CG2-CG 3.79Å
75	G	89.3	Confident	93.5	Very high	64 Å²	64	53.8 Å²	53.8	66%	0.66	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	-119.6	-171.2	0	0	0	0	0	111.6	E116	G75-E116 WeakPolarHBondContact CA-OE1 3.27Å
76	A	89.3	Confident	93.5	Very high	94 Å²	94	46.2 Å²	46.2	78%	0.777	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.8	176.8	0	0	0	0	0	113.6	V74 E116	V74-A76 PolarHBondContact O-N 3.06Å; A76-E116 PolarHBondContact N-OE1 3.04Å
77	K	92	Very high	93.6	Very high	65 Å²	65	42.5 Å²	42.5	28%	0.283	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.3	-170.4	-159.3	165.9	-178.1	170.3	0	111.8	V73 V74 I79 E120	V73-K77 WeakPolarHBondContact CA-O 3.44Å; V74-K77 PolarHBondContact N-O 3.39Å; V74-K77 PolarHBondContact O-N 3.3Å; K77-I79 HydrophobicContact CG-CG1 4.39Å; K77-E120 VanDerWaalsContact CE-OE1 3.27Å; K77-E120 WeakPolarHBondContact CE-OE1 3.36Å; K77-E120 IonicContact NZ-OE1 2.84Å; K77-E120 PolarHBondContact NZ-OE1 3.17Å; K77-E120 IonicContact NZ-OE2 3.19Å; K77-E120 PolarHBondContact NZ-OE2 3.27Å
78	K	93.8	Very high	93.6	Very high	104 Å²	104	39.7 Å²	39.7	45%	0.452	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.8	172.8	-66.6	-164.5	171.2	-159.4	0	110.3	V71 V73 E108	V71-K78 HydrophobicContact CG1-CB 3.95Å; V71-K78 HydrophobicContact CG1-CD 4.39Å; V71-K78 HydrophobicContact CG1-CG 4.41Å; V73-K78 HydrophobicContact CG2-CG 4.34Å; K78-E108 IonicContact NZ-OE1 3.17Å; K78-E108 PolarHBondContact NZ-OE1 3.26Å; K78-E108 IonicContact NZ-OE2 3.41Å; K78-E108 PolarHBondContact NZ-OE2 3.33Å
79	I	94.8	Very high	93.7	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.4	-178.1	-54.1	175	0	0	0	108.8	V71 L72 K77 M119 E120 I123	V71-I79 CarbonylContact C-O 3.57Å; V71-I79 WeakPolarHBondContact CA-O 3.26Å; L72-I79 HydrophobicContact CB-CB 4.37Å; L72-I79 PolarHBondContact N-O 3.28Å; L72-I79 PolarHBondContact O-N 2.89Å; K77-I79 HydrophobicContact CG-CG1 4.39Å; I79-M119 HydrophobicContact CD1-CB 4.38Å; I79-M119 HydrophobicContact CD1-CG 3.79Å; I79-E120 HydrophobicContact CD1-CB 4.48Å; I79-I123 HydrophobicContact CG2-CB 4.45Å; I79-I123 HydrophobicContact CG2-CG1 4.46Å; I79-I123 HydrophobicContact CG2-CG2 4Å
80	Y	95.6	Very high	93.8	Very high	69 Å²	69	36.7 Å²	36.7	27%	0.271	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.5	177.6	-64	-99.2	0	0	0	109.9	R62 R65 V71	R62-Y80 WeakPolarHBondContact CD-O 3.42Å; R62-Y80 WeakPolarHBondContact CG-O 3.25Å; R65-Y80 HydrophobicContact CG-CD1 4.38Å; R65-Y80 HydrophobicContact CG-CD2 4.3Å; R65-Y80 HydrophobicContact CG-CG 4.13Å; V71-Y80 HydrophobicContact CG2-CD1 3.62Å; V71-Y80 HydrophobicContact CG2-CE1 3.65Å; V71-Y80 HydrophobicContact CG2-CG 4.39Å
81	A	96	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	172.4	-177.9	0	0	0	0	0	112.5	C68 D69 V70 L86	C68-A81 WeakPolarHBondContact CA-O 3.35Å; D69-A81 PolarHBondContact N-O 3.28Å; V70-A81 HydrophobicContact CG1-CB 4.13Å; V70-A81 WeakPolarHBondContact CG1-O 3.42Å; V70-A81 PolarHBondContact N-O 3.09Å; V70-A81 PolarHBondContact O-N 2.93Å; V70-A81 VanDerWaalsContact O-O 3.11Å; A81-L86 HydrophobicContact CB-CD1 3.73Å; A81-L86 HydrophobicContact CB-CD2 4.46Å; A81-L86 HydrophobicContact CB-CG 4.16Å
82	H	95.2	Very high	93.7	Very high	15 Å²	15	40.7 Å²	40.7	7%	0.069	25%	0.247	C	C	.	.			trans	-105.4	124.3	172.8	-53.5	89.2	0	0	0	109.9	E66 L67 D69 V84 I85 L86 Y127	E66-H82 PolarHBondContact O-NE2 3.13Å; L67-H82 PolarHBondContact O-CD2 2.8Å; D69-H82 WeakPolarHBondContact OD1-CA 3.37Å; H82-V84 VanDerWaalsContact C-N 3.25Å; H82-V84 HydrophobicContact CB-CG1 4.34Å; H82-V84 PolarHBondContact O-N 3.24Å; H82-I85 HydrophobicContact CB-CB 4.42Å; H82-I85 HydrophobicContact CB-CG1 4.06Å; H82-I85 PolarHBondContact O-N 3.27Å; H82-I85 VanDerWaalsContact O-N 3.16Å; H82-L86 PolarHBondContact O-N 2.97Å; H82-Y127 PolarHBondContact N-OH 2.91Å; H82-Y127 AromaticContact ND1-CE1 3.6Å; H82-Y127 AromaticContact ND1-CZ 3.85Å; H82-Y127 PolarHBondContact ND1-OH 3.23Å
83	R	93.3	Very high	93.7	Very high	35 Å²	35	40.9 Å²	40.9	13%	0.132	25%	0.248	C	C	.	.	H	α-helix	trans	-53.5	-43.6	179.4	-71.8	168.8	164.1	-102.7	-5.4	111.6	D69 V70 I85 L86 S87 F97 E103 S104 Q106	D69-R83 PolarHBondContact O-NE 3.05Å; D69-R83 WeakPolarHBondContact OD1-CG 3.43Å; D69-R83 PolarHBondContact OD1-N 2.59Å; V70-R83 HydrophobicContact CB-CG 3.81Å; V70-R83 HydrophobicContact CG1-CG 3.74Å; R83-I85 VanDerWaalsContact C-N 3.33Å; R83-I85 PolarHBondContact O-N 3.06Å; R83-L86 PolarHBondContact O-N 3.47Å; R83-S87 WeakPolarHBondContact O-CB 3.48Å; R83-S87 PolarHBondContact O-N 3.03Å; R83-S87 PolarHBondContact O-OG 2.83Å; R83-S87 VanDerWaalsContact O-OG 3.06Å; R83-F97 HydrophobicContact CB-CD2 3.88Å; R83-F97 HydrophobicContact CB-CE2 4.32Å; R83-F97 HydrophobicContact CB-CG 4.28Å; R83-F97 HydrophobicContact CG-CD1 4.33Å; R83-F97 HydrophobicContact CG-CD2 3.91Å; R83-F97 HydrophobicContact CG-CE1 4.47Å; R83-F97 HydrophobicContact CG-CE2 4.09Å; R83-F97 HydrophobicContact CG-CG 4.06Å; R83-F97 HydrophobicContact CG-CZ 4.37Å; R83-F97 VanDerWaalsContact NH1-CD1 3.32Å; R83-E103 PolarHBondContact NH2-O 2.97Å; R83-S104 PolarHBondContact NH1-O 3.07Å; R83-S104 PolarHBondContact NH2-O 3.48Å; R83-Q106 PolarHBondContact NH2-O 2.82Å
84	V	93.5	Very high	93.6	Very high	104 Å²	104	46 Å²	46	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-60.2	-40.2	-178.5	69	0	0	0	0	112.9	H82 A88	H82-V84 VanDerWaalsContact C-N 3.25Å; H82-V84 HydrophobicContact CB-CG1 4.34Å; H82-V84 PolarHBondContact O-N 3.24Å; V84-A88 VanDerWaalsContact O-CB 3.26Å; V84-A88 WeakPolarHBondContact O-CB 3.41Å; V84-A88 PolarHBondContact O-N 3.22Å
85	I	95.1	Very high	93.4	Very high	22 Å²	22	49 Å²	49	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-71.2	-44.3	-179.9	-60.9	-60.5	0	0	0	110.2	L55 I58 H82 R83 A88 C89 A126 Y127	L55-I85 HydrophobicContact CD2-CD1 4.47Å; I58-I85 HydrophobicContact CD1-CD1 4.11Å; I58-I85 HydrophobicContact CG2-CD1 4.05Å; I58-I85 HydrophobicContact CG2-CG1 3.89Å; H82-I85 HydrophobicContact CB-CB 4.42Å; H82-I85 HydrophobicContact CB-CG1 4.06Å; H82-I85 PolarHBondContact O-N 3.27Å; H82-I85 VanDerWaalsContact O-N 3.16Å; R83-I85 VanDerWaalsContact C-N 3.33Å; R83-I85 PolarHBondContact O-N 3.06Å; I85-A88 PolarHBondContact O-N 3.36Å; I85-C89 WeakPolarHBondContact O-CB 3.42Å; I85-C89 PolarHBondContact O-N 3.28Å; I85-A126 HydrophobicContact CG2-CB 4.29Å; I85-A126 WeakPolarHBondContact CG2-O 3.43Å; I85-Y127 HydrophobicContact CB-CE1 4.07Å; I85-Y127 HydrophobicContact CB-CE2 4.45Å; I85-Y127 HydrophobicContact CG1-CE1 3.92Å; I85-Y127 HydrophobicContact CG2-CD1 4.15Å; I85-Y127 HydrophobicContact CG2-CD2 4.2Å; I85-Y127 HydrophobicContact CG2-CE1 3.83Å; I85-Y127 HydrophobicContact CG2-CE2 3.85Å; I85-Y127 HydrophobicContact CG2-CG 4.32Å
86	L	94.4	Very high	93.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-43.4	178	-62.1	-172.1	0	0	0	112	V70 L72 A81 H82 R83 A88 C89 S90 F93 F97 I123 A126 Y127	V70-L86 HydrophobicContact CG1-CD1 4.4Å; L72-L86 HydrophobicContact CD1-CD1 3.89Å; L72-L86 HydrophobicContact CG-CD1 4.47Å; A81-L86 HydrophobicContact CB-CD1 3.73Å; A81-L86 HydrophobicContact CB-CD2 4.46Å; A81-L86 HydrophobicContact CB-CG 4.16Å; H82-L86 PolarHBondContact O-N 2.97Å; R83-L86 PolarHBondContact O-N 3.47Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 3.16Å; L86-C89 PolarHBondContact O-N 3.26Å; L86-S90 WeakPolarHBondContact O-CB 3.35Å; L86-S90 PolarHBondContact O-N 2.69Å; L86-F93 HydrophobicContact CB-CB 3.89Å; L86-F93 HydrophobicContact CB-CD2 3.86Å; L86-F93 HydrophobicContact CB-CG 3.95Å; L86-F93 HydrophobicContact CD1-CD2 4.41Å; L86-F93 HydrophobicContact CD1-CE2 4.5Å; L86-F93 HydrophobicContact CG-CD2 4.48Å; L86-F97 HydrophobicContact CB-CE2 4.04Å; L86-F97 HydrophobicContact CD1-CE2 4.09Å; L86-F97 HydrophobicContact CD1-CZ 4.47Å; L86-I123 HydrophobicContact CD1-CD1 4.17Å; L86-I123 HydrophobicContact CD2-CD1 3.45Å; L86-I123 VanDerWaalsContact CD2-CD1 3.45Å; L86-I123 HydrophobicContact CD2-CG2 4.4Å; L86-I123 HydrophobicContact CG-CD1 4.47Å; L86-A126 HydrophobicContact CD2-CB 4.34Å; L86-Y127 HydrophobicContact CD2-CE2 4.38Å
87	S	93.8	Very high	93.4	Very high	16 Å²	16	43.3 Å²	43.3	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-29.1	175.8	-62.7	0	0	0	0	113.5	R83 F93 R94 F97	R83-S87 WeakPolarHBondContact O-CB 3.48Å; R83-S87 PolarHBondContact O-N 3.03Å; R83-S87 PolarHBondContact O-OG 2.83Å; R83-S87 VanDerWaalsContact O-OG 3.06Å; S87-F93 PolarHBondContact OG-O 3.3Å; S87-R94 WeakPolarHBondContact O-CB 3.39Å; S87-F97 WeakPolarHBondContact OG-CD2 3.26Å
88	A	93.5	Very high	93.1	Very high	82 Å²	82	45.3 Å²	45.3	68%	0.678	25%	0.247	S	C	*	.	H	α-helix	trans	-71.9	-40.4	175	0	0	0	0	0	111.6	V84 I85 L86	V84-A88 VanDerWaalsContact O-CB 3.26Å; V84-A88 WeakPolarHBondContact O-CB 3.41Å; V84-A88 PolarHBondContact O-N 3.22Å; I85-A88 PolarHBondContact O-N 3.36Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 3.16Å
89	C	94	Very high	92.4	Very high	43 Å²	43	41.6 Å²	41.6	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-82.2	-38.3	-176.6	-172	0	0	0	0	113.1	I85 L86 A126 L150	I85-C89 WeakPolarHBondContact O-CB 3.42Å; I85-C89 PolarHBondContact O-N 3.28Å; L86-C89 PolarHBondContact O-N 3.26Å; C89-A126 HydrophobicContact CB-CB 3.91Å; C89-L150 WeakPolarHBondContact O-CD2 3.42Å
90	S	95.6	Very high	91.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.021	28%	0.281	C	S	.	.			trans	-121.3	122	-171.6	168.6	0	0	0	0	112.1	L86 Y92 F93 R94 L148	L86-S90 WeakPolarHBondContact O-CB 3.35Å; L86-S90 PolarHBondContact O-N 2.69Å; S90-Y92 PolarHBondContact O-N 2.86Å; S90-Y92 WeakPolarHBondContact OG-CB 3.48Å; S90-Y92 PolarHBondContact OG-N 2.98Å; S90-F93 PolarHBondContact O-N 3.26Å; S90-F93 PolarHBondContact OG-N 2.76Å; S90-R94 WeakPolarHBondContact O-CB 3.49Å; S90-R94 PolarHBondContact O-N 3.45Å; S90-L148 PolarHBondContact OG-O 3.32Å
91	P	94.2	Very high	90.4	Very high	39 Å²	39	52 Å²	52	25%	0.253	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-33.3	170.9	-24.7	34	0	0	0	113.7	R94 A95 Q149	P91-R94 WeakPolarHBondContact O-CB 3.41Å; P91-R94 PolarHBondContact O-N 3.46Å; P91-A95 WeakPolarHBondContact O-CB 3.44Å; P91-A95 PolarHBondContact O-N 2.91Å; P91-Q149 HydrophobicContact CB-CB 4.19Å; P91-Q149 WeakPolarHBondContact CD-O 3.2Å; P91-Q149 HydrophobicContact CG-CB 4.11Å
92	Y	92.8	Very high	89	Confident	65 Å²	65	55.1 Å²	55.1	26%	0.255	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-52.4	176.3	173.4	-91.7	0	0	0	111.2	S90 R94 A95 M96 I111 L148	S90-Y92 PolarHBondContact O-N 2.86Å; S90-Y92 WeakPolarHBondContact OG-CB 3.48Å; S90-Y92 PolarHBondContact OG-N 2.98Å; Y92-R94 VanDerWaalsContact C-N 3.3Å; Y92-R94 PolarHBondContact O-N 3.25Å; Y92-A95 PolarHBondContact O-N 3.1Å; Y92-M96 HydrophobicContact CD1-CE 4.33Å; Y92-M96 HydrophobicContact CE1-CE 3.35Å; Y92-M96 VanDerWaalsContact CZ-CE 3.47Å; Y92-M96 WeakPolarHBondContact O-CB 3.48Å; Y92-M96 PolarHBondContact O-N 2.86Å; Y92-M96 VanDerWaalsContact OH-CE 3.23Å; Y92-M96 WeakPolarHBondContact OH-CE 3.48Å; Y92-I111 HydrophobicContact CE1-CD1 4.48Å; Y92-L148 HydrophobicContact CD1-CD2 3.46Å; Y92-L148 VanDerWaalsContact CD1-CD2 3.46Å; Y92-L148 HydrophobicContact CE1-CD2 3.75Å; Y92-L148 HydrophobicContact CG-CD2 4.11Å
93	F	93.3	Very high	87.9	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-67.7	-31.6	177.7	-71.4	-53.4	0	0	0	112.6	L72 L86 S87 S90 M96 F97 I111 M119 I123 L148	L72-F93 HydrophobicContact CD1-CE1 4.12Å; L72-F93 HydrophobicContact CD1-CZ 3.87Å; L72-F93 HydrophobicContact CD2-CE1 4.22Å; L86-F93 HydrophobicContact CB-CB 3.89Å; L86-F93 HydrophobicContact CB-CD2 3.86Å; L86-F93 HydrophobicContact CB-CG 3.95Å; L86-F93 HydrophobicContact CD1-CD2 4.41Å; L86-F93 HydrophobicContact CD1-CE2 4.5Å; L86-F93 HydrophobicContact CG-CD2 4.48Å; S87-F93 PolarHBondContact OG-O 3.3Å; S90-F93 PolarHBondContact O-N 3.26Å; S90-F93 PolarHBondContact OG-N 2.76Å; F93-M96 HydrophobicContact CD1-SD 4.19Å; F93-M96 PolarHBondContact O-N 2.92Å; F93-F97 HydrophobicContact CB-CD2 4.18Å; F93-F97 HydrophobicContact CB-CE2 3.92Å; F93-F97 HydrophobicContact CD1-CE2 4.01Å; F93-F97 HydrophobicContact CD1-CZ 4.04Å; F93-F97 HydrophobicContact CG-CE2 4.22Å; F93-F97 WeakPolarHBondContact O-CB 3.49Å; F93-F97 VanDerWaalsContact O-CD2 3.24Å; F93-F97 WeakPolarHBondContact O-CD2 3.41Å; F93-F97 WeakPolarHBondContact O-CG 3.24Å; F93-F97 PolarHBondContact O-N 3.28Å; F93-I111 HydrophobicContact CE1-CD1 4.38Å; F93-M119 HydrophobicContact CZ-CE 4.15Å; F93-M119 HydrophobicContact CZ-SD 4.37Å; F93-I123 HydrophobicContact CE2-CD1 3.98Å; F93-I123 HydrophobicContact CZ-CD1 4.26Å; F93-L148 HydrophobicContact CE1-CD2 4.39Å; F93-L148 HydrophobicContact CE2-CD1 3.99Å; F93-L148 HydrophobicContact CE2-CD2 3.95Å; F93-L148 HydrophobicContact CZ-CD1 4.23Å; F93-L148 HydrophobicContact CZ-CD2 3.77Å
94	R	92.5	Very high	86.9	Confident	130 Å²	130	57.2 Å²	57.2	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-54.2	171	-173.6	168.2	50.9	-165.6	-8	110.8	S87 S90 P91 Y92 M96 F97 T98	S87-R94 WeakPolarHBondContact O-CB 3.39Å; S90-R94 WeakPolarHBondContact O-CB 3.49Å; S90-R94 PolarHBondContact O-N 3.45Å; P91-R94 WeakPolarHBondContact O-CB 3.41Å; P91-R94 PolarHBondContact O-N 3.46Å; Y92-R94 VanDerWaalsContact C-N 3.3Å; Y92-R94 PolarHBondContact O-N 3.25Å; R94-M96 VanDerWaalsContact C-N 3.28Å; R94-M96 PolarHBondContact O-N 2.95Å; R94-F97 PolarHBondContact O-N 2.96Å; R94-T98 HydrophobicContact CG-CG2 4.4Å; R94-T98 WeakPolarHBondContact O-CB 3.47Å; R94-T98 PolarHBondContact O-N 3.34Å; R94-T98 PolarHBondContact O-OG1 3.42Å
95	A	90	Very high	86.1	Confident	62 Å²	62	62.6 Å²	62.6	51%	0.512	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-40.5	178.6	0	0	0	0	0	112.2	P91 Y92 G99	P91-A95 WeakPolarHBondContact O-CB 3.44Å; P91-A95 PolarHBondContact O-N 2.91Å; Y92-A95 PolarHBondContact O-N 3.1Å; A95-G99 WeakPolarHBondContact O-CA 3.23Å; A95-G99 PolarHBondContact O-N 2.95Å
96	M	89.1	Confident	85.6	Confident	19 Å²	19	65.6 Å²	65.6	9%	0.094	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-45.3	177.9	-177.7	-177.1	-75.3	0	0	113.1	Y92 F93 R94 E103 V109 I111	Y92-M96 HydrophobicContact CD1-CE 4.33Å; Y92-M96 HydrophobicContact CE1-CE 3.35Å; Y92-M96 VanDerWaalsContact CZ-CE 3.47Å; Y92-M96 WeakPolarHBondContact O-CB 3.48Å; Y92-M96 PolarHBondContact O-N 2.86Å; Y92-M96 VanDerWaalsContact OH-CE 3.23Å; Y92-M96 WeakPolarHBondContact OH-CE 3.48Å; F93-M96 HydrophobicContact CD1-SD 4.19Å; F93-M96 PolarHBondContact O-N 2.92Å; R94-M96 VanDerWaalsContact C-N 3.28Å; R94-M96 PolarHBondContact O-N 2.95Å; M96-E103 HydrophobicContact CG-CB 3.93Å; M96-E103 HydrophobicContact SD-CB 4.5Å; M96-V109 HydrophobicContact CE-CG1 4.48Å; M96-V109 HydrophobicContact SD-CG1 3.85Å; M96-I111 HydrophobicContact CE-CD1 3.82Å; M96-I111 HydrophobicContact SD-CD1 4.38Å
97	F	89.6	Confident	85.1	Confident	20 Å²	20	70.6 Å²	70.6	9%	0.088	39%	0.385	C	S	.	.	H	α-helix	trans	-89.9	-25	-173.1	-60.7	-35.7	0	0	0	114.2	V70 L72 R83 L86 S87 F93 R94 V109	V70-F97 HydrophobicContact CG1-CZ 4.35Å; V70-F97 HydrophobicContact CG2-CE1 4.16Å; V70-F97 HydrophobicContact CG2-CZ 4.05Å; L72-F97 HydrophobicContact CD2-CZ 4.45Å; R83-F97 HydrophobicContact CB-CD2 3.88Å; R83-F97 HydrophobicContact CB-CE2 4.32Å; R83-F97 HydrophobicContact CB-CG 4.28Å; R83-F97 HydrophobicContact CG-CD1 4.33Å; R83-F97 HydrophobicContact CG-CD2 3.91Å; R83-F97 HydrophobicContact CG-CE1 4.47Å; R83-F97 HydrophobicContact CG-CE2 4.09Å; R83-F97 HydrophobicContact CG-CG 4.06Å; R83-F97 HydrophobicContact CG-CZ 4.37Å; R83-F97 VanDerWaalsContact NH1-CD1 3.32Å; L86-F97 HydrophobicContact CB-CE2 4.04Å; L86-F97 HydrophobicContact CD1-CE2 4.09Å; L86-F97 HydrophobicContact CD1-CZ 4.47Å; S87-F97 WeakPolarHBondContact OG-CD2 3.26Å; F93-F97 HydrophobicContact CB-CD2 4.18Å; F93-F97 HydrophobicContact CB-CE2 3.92Å; F93-F97 HydrophobicContact CD1-CE2 4.01Å; F93-F97 HydrophobicContact CD1-CZ 4.04Å; F93-F97 HydrophobicContact CG-CE2 4.22Å; F93-F97 WeakPolarHBondContact O-CB 3.49Å; F93-F97 VanDerWaalsContact O-CD2 3.24Å; F93-F97 WeakPolarHBondContact O-CD2 3.41Å; F93-F97 WeakPolarHBondContact O-CG 3.24Å; F93-F97 PolarHBondContact O-N 3.28Å; R94-F97 PolarHBondContact O-N 2.96Å; F97-V109 HydrophobicContact CE1-CG2 4.38Å
98	T	86	Confident	85	Confident	107 Å²	107	74 Å²	74	66%	0.656	40%	0.4	S	S	*	.	H	α-helix	trans	-98.9	-8	177	70.6	0	0	0	0	113.4	R94	R94-T98 HydrophobicContact CG-CG2 4.4Å; R94-T98 WeakPolarHBondContact O-CB 3.47Å; R94-T98 PolarHBondContact O-N 3.34Å; R94-T98 PolarHBondContact O-OG1 3.42Å
99	G	78.4	Confident	84.9	Confident	27 Å²	27	70.2 Å²	70.2	28%	0.278	37%	0.368	S	S	.	.	S	Bend	trans	-78.1	170.9	175.8	0	0	0	0	0	113.1	A95 L101 S104	A95-G99 WeakPolarHBondContact O-CA 3.23Å; A95-G99 PolarHBondContact O-N 2.95Å; G99-L101 PolarHBondContact O-N 3.43Å; G99-S104 VanDerWaalsContact O-CB 3.27Å; G99-S104 WeakPolarHBondContact O-CB 3.4Å; G99-S104 PolarHBondContact O-OG 3.43Å
100	E	73.9	Confident	84.7	Confident	198 Å²	198	72.5 Å²	72.5	93%	0.925	38%	0.38	S	S	*	.	S	Bend	trans	-82.5	14.2	174.5	-62.1	-170.3	165	0	0	113.5
101	L	73.3	Confident	84.5	Confident	101 Å²	101	72.6 Å²	72.6	53%	0.529	38%	0.381	S	S	.	.	S	Bend	trans	-71.4	156.9	-179.2	-66.4	170.1	0	0	0	111.5	G99 E103 S104	G99-L101 PolarHBondContact O-N 3.43Å; L101-E103 WeakPolarHBondContact CB-OE2 3.43Å; L101-E103 PolarHBondContact O-N 3.31Å; L101-S104 VanDerWaalsContact O-CB 3.25Å; L101-S104 WeakPolarHBondContact O-CB 3.34Å; L101-S104 PolarHBondContact O-N 3.28Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 2.85Å
102	A	68.4	Low	84.2	Confident	64 Å²	64	79.9 Å²	79.9	53%	0.529	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-62.5	-33.8	-175.8	0	0	0	0	0	112.5	S104 R105	A102-S104 PolarHBondContact O-N 3.3Å; A102-R105 PolarHBondContact O-N 3.39Å; A102-R105 VanDerWaalsContact O-N 3.07Å
103	E	72.1	Confident	83.9	Confident	70 Å²	70	84.6 Å²	84.6	33%	0.327	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-61.2	-27.2	177.5	-63.1	82.9	172.4	0	0	112	R83 M96 L101 R105 Q106 V109	R83-E103 PolarHBondContact NH2-O 2.97Å; M96-E103 HydrophobicContact CG-CB 3.93Å; M96-E103 HydrophobicContact SD-CB 4.5Å; L101-E103 WeakPolarHBondContact CB-OE2 3.43Å; L101-E103 PolarHBondContact O-N 3.31Å; E103-R105 PolarHBondContact O-N 2.87Å; E103-R105 VanDerWaalsContact O-N 3.13Å; E103-Q106 PolarHBondContact O-N 2.83Å; E103-V109 HydrophobicContact CB-CG1 4.49Å; E103-V109 HydrophobicContact CG-CG1 4.35Å
104	S	71.9	Confident	83.8	Confident	24 Å²	24	85.4 Å²	85.4	17%	0.168	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-59.8	-25.1	175	71.4	0	0	0	0	112.3	R83 G99 L101 A102	R83-S104 PolarHBondContact NH1-O 3.07Å; R83-S104 PolarHBondContact NH2-O 3.48Å; G99-S104 VanDerWaalsContact O-CB 3.27Å; G99-S104 WeakPolarHBondContact O-CB 3.4Å; G99-S104 PolarHBondContact O-OG 3.43Å; L101-S104 VanDerWaalsContact O-CB 3.25Å; L101-S104 WeakPolarHBondContact O-CB 3.34Å; L101-S104 PolarHBondContact O-N 3.28Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 2.85Å; A102-S104 PolarHBondContact O-N 3.3Å
105	R	76.8	Confident	83.8	Confident	218 Å²	218	82.7 Å²	82.7	82%	0.823	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-106.6	-2.8	-177.5	-56.2	-176.4	-173.8	-172.6	1.6	113.9	A102 E103	A102-R105 PolarHBondContact O-N 3.39Å; A102-R105 VanDerWaalsContact O-N 3.07Å; E103-R105 PolarHBondContact O-N 2.87Å; E103-R105 VanDerWaalsContact O-N 3.13Å
106	Q	83.3	Confident	84	Confident	84 Å²	84	83.2 Å²	83.2	39%	0.393	42%	0.424	S	S	.	.			trans	-89.6	137.5	-177	-70.8	176.4	-0.1	0	0	112.1	R83 E103 E108 V109	R83-Q106 PolarHBondContact NH2-O 2.82Å; E103-Q106 PolarHBondContact O-N 2.83Å; Q106-E108 PolarHBondContact OE1-O 2.82Å; Q106-V109 HydrophobicContact CB-CG2 4.25Å
107	T	84.4	Confident	84.3	Confident	106 Å²	106	90.1 Å²	90.1	65%	0.65	45%	0.449	S	S	*	.	S	Bend	trans	-80.1	-29.9	173.7	50.4	0	0	0	0	112.3	V71	V71-T107 PolarHBondContact N-O 2.81Å
108	E	91.6	Very high	84.6	Confident	89 Å²	89	89.3 Å²	89.3	42%	0.416	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.7	171.9	-58.2	-160.2	153.5	0	0	109.6	V71 V73 K78 Q106	V71-E108 HydrophobicContact CB-CG 4.2Å; V71-E108 CarbonylContact O-C 3.56Å; V71-E108 WeakPolarHBondContact O-CA 3.25Å; V73-E108 HydrophobicContact CG2-CB 4.41Å; K78-E108 IonicContact NZ-OE1 3.17Å; K78-E108 PolarHBondContact NZ-OE1 3.26Å; K78-E108 IonicContact NZ-OE2 3.41Å; K78-E108 PolarHBondContact NZ-OE2 3.33Å; Q106-E108 PolarHBondContact OE1-O 2.82Å
109	V	91.2	Very high	85	Confident	2 Å²	2	84.2 Å²	84.2	1%	0.012	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.3	-179.4	179.8	0	0	0	0	109.2	V70 V71 L72 V73 M96 F97 E103 Q106 I111	V70-V109 HydrophobicContact CG2-CG2 4.1Å; V71-V109 PolarHBondContact O-N 2.85Å; L72-V109 CarbonylContact C-O 3.56Å; L72-V109 WeakPolarHBondContact CA-O 3.42Å; L72-V109 HydrophobicContact CD2-CB 4.21Å; V73-V109 PolarHBondContact N-O 3.09Å; M96-V109 HydrophobicContact CE-CG1 4.48Å; M96-V109 HydrophobicContact SD-CG1 3.85Å; F97-V109 HydrophobicContact CE1-CG2 4.38Å; E103-V109 HydrophobicContact CB-CG1 4.49Å; E103-V109 HydrophobicContact CG-CG1 4.35Å; Q106-V109 HydrophobicContact CB-CG2 4.25Å; V109-I111 HydrophobicContact CG1-CD1 3.93Å
110	V	91.1	Very high	85.8	Confident	90 Å²	90	86 Å²	86	55%	0.545	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.7	179.4	-177.2	0	0	0	0	109.5	V73 R112	V73-V110 HydrophobicContact CB-CG2 4.23Å; V73-V110 WeakPolarHBondContact O-CA 3.47Å; V110-R112 HydrophobicContact CG1-CG 4.33Å
111	I	90	Very high	86.8	Confident	6 Å²	6	78.7 Å²	78.7	3%	0.031	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.4	173.4	-50.6	-63.9	0	0	0	108.4	L72 V73 V74 Y92 F93 M96 V109 I114 M119	L72-I111 HydrophobicContact CD2-CG1 4.35Å; V73-I111 PolarHBondContact O-N 2.98Å; V74-I111 HydrophobicContact CG2-CB 4.03Å; Y92-I111 HydrophobicContact CE1-CD1 4.48Å; F93-I111 HydrophobicContact CE1-CD1 4.38Å; M96-I111 HydrophobicContact CE-CD1 3.82Å; M96-I111 HydrophobicContact SD-CD1 4.38Å; V109-I111 HydrophobicContact CG1-CD1 3.93Å; I111-I114 HydrophobicContact CG2-CD1 3.61Å; I111-I114 HydrophobicContact CG2-CG1 4.1Å; I111-M119 HydrophobicContact CB-CE 3.77Å; I111-M119 HydrophobicContact CG1-CE 3.7Å; I111-M119 HydrophobicContact CG2-CE 3.63Å
112	R	88.7	Confident	87.9	Confident	191 Å²	191	74 Å²	74	72%	0.721	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-101.6	162.2	179.3	-62.3	-177.5	178.9	172.4	0	110.1	V110 I114	V110-R112 HydrophobicContact CG1-CG 4.33Å; R112-I114 PolarHBondContact O-N 3.29Å
113	D	85.7	Confident	89.2	Confident	165 Å²	165	71 Å²	71	88%	0.882	33%	0.333	S	S	*	.	S	Bend	trans	62.5	26.5	170.6	-46.6	-45.7	0	0	0	114.9
114	I	91.8	Very high	90.3	Very high	20 Å²	20	70 Å²	70	10%	0.103	33%	0.33	C	S	.	.	S	Bend	trans	-128.5	137.4	172.4	-56.5	-176.4	0	0	0	109.2	V74 I111 R112 M119 A144 L147 L148	V74-I114 VanDerWaalsContact CG1-O 3.29Å; V74-I114 WeakPolarHBondContact CG1-O 3.33Å; I111-I114 HydrophobicContact CG2-CD1 3.61Å; I111-I114 HydrophobicContact CG2-CG1 4.1Å; R112-I114 PolarHBondContact O-N 3.29Å; I114-M119 HydrophobicContact CD1-CE 3.98Å; I114-M119 HydrophobicContact CG2-CB 3.99Å; I114-A144 HydrophobicContact CG2-CB 3.75Å; I114-L147 HydrophobicContact CD1-CD2 3.67Å; I114-L147 HydrophobicContact CD1-CG 4.49Å; I114-L147 HydrophobicContact CG1-CD2 3.65Å; I114-L148 HydrophobicContact CD1-CD1 4.47Å; I114-L148 HydrophobicContact CD1-CD2 4.07Å; I114-L148 HydrophobicContact CD1-CG 4.19Å
115	D	93.6	Very high	91.5	Very high	73 Å²	73	70.1 Å²	70.1	39%	0.39	33%	0.327	S	S	.	.			trans	-63.8	138.1	172.5	175.2	-99.5	0	0	0	111.9	R117 A118 M119 T140	D115-R117 VanDerWaalsContact C-N 3.29Å; D115-R117 PolarHBondContact O-N 2.94Å; D115-R117 WeakPolarHBondContact OD1-CA 3.32Å; D115-R117 WeakPolarHBondContact OD1-CB 3.43Å; D115-R117 PolarHBondContact OD1-N 3.45Å; D115-A118 HydrophobicContact CB-CB 3.97Å; D115-A118 PolarHBondContact O-N 2.8Å; D115-A118 PolarHBondContact OD1-N 3.38Å; D115-M119 PolarHBondContact O-N 2.95Å; D115-T140 HydrophobicContact CB-CG2 4.16Å
116	E	94.1	Very high	92.3	Very high	73 Å²	73	60.3 Å²	60.3	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-37.3	-174.5	-59.6	-173.3	174.9	0	0	112.5	V74 G75 A76 E120	V74-E116 HydrophobicContact CG1-CG 4.37Å; G75-E116 WeakPolarHBondContact CA-OE1 3.27Å; A76-E116 PolarHBondContact N-OE1 3.04Å; E116-E120 PolarHBondContact O-N 3.25Å
117	R	94.1	Very high	92.9	Very high	165 Å²	165	56.4 Å²	56.4	62%	0.623	28%	0.275	S	S	*	.	H	α-helix	trans	-78.6	-39.5	-179	-173.1	171.2	179.6	-178.2	-4.2	111	D115 E120 L121	D115-R117 VanDerWaalsContact C-N 3.29Å; D115-R117 PolarHBondContact O-N 2.94Å; D115-R117 WeakPolarHBondContact OD1-CA 3.32Å; D115-R117 WeakPolarHBondContact OD1-CB 3.43Å; D115-R117 PolarHBondContact OD1-N 3.45Å; R117-E120 PolarHBondContact O-N 2.69Å; R117-L121 WeakPolarHBondContact O-CG 3.38Å; R117-L121 PolarHBondContact O-N 3.36Å
118	A	95.3	Very high	93.3	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-47	172.9	0	0	0	0	0	111.1	D115 E120 L121 L122 A144	D115-A118 HydrophobicContact CB-CB 3.97Å; D115-A118 PolarHBondContact O-N 2.8Å; D115-A118 PolarHBondContact OD1-N 3.38Å; A118-E120 VanDerWaalsContact C-N 3.35Å; A118-E120 PolarHBondContact O-N 2.75Å; A118-L121 PolarHBondContact O-N 2.64Å; A118-L122 VanDerWaalsContact O-CG 3.26Å; A118-L122 WeakPolarHBondContact O-CG 3.34Å; A118-L122 PolarHBondContact O-N 2.91Å; A118-A144 HydrophobicContact CB-CB 4.04Å
119	M	95.4	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-46.4	176.2	-178.2	67.3	103	0	0	111.4	L72 V74 I79 F93 I111 I114 D115 L121 L122 I123 L148	L72-M119 HydrophobicContact CD1-CE 4.38Å; V74-M119 HydrophobicContact CG1-CB 4.45Å; V74-M119 HydrophobicContact CG2-CB 4.23Å; V74-M119 HydrophobicContact CG2-CE 3.79Å; V74-M119 HydrophobicContact CG2-CG 3.79Å; I79-M119 HydrophobicContact CD1-CB 4.38Å; I79-M119 HydrophobicContact CD1-CG 3.79Å; F93-M119 HydrophobicContact CZ-CE 4.15Å; F93-M119 HydrophobicContact CZ-SD 4.37Å; I111-M119 HydrophobicContact CB-CE 3.77Å; I111-M119 HydrophobicContact CG1-CE 3.7Å; I111-M119 HydrophobicContact CG2-CE 3.63Å; I114-M119 HydrophobicContact CD1-CE 3.98Å; I114-M119 HydrophobicContact CG2-CB 3.99Å; D115-M119 PolarHBondContact O-N 2.95Å; M119-L121 VanDerWaalsContact C-N 3.34Å; M119-L121 PolarHBondContact O-N 3.36Å; M119-L122 PolarHBondContact O-N 3.2Å; M119-I123 HydrophobicContact CG-CG1 4.1Å; M119-I123 VanDerWaalsContact O-CG1 3.25Å; M119-I123 WeakPolarHBondContact O-CG1 3.4Å; M119-I123 PolarHBondContact O-N 2.89Å; M119-I123 HydrophobicContact SD-CD1 4.15Å; M119-I123 HydrophobicContact SD-CG1 3.97Å; M119-L148 HydrophobicContact SD-CD1 3.83Å
120	E	94.6	Very high	93.5	Very high	66 Å²	66	59.6 Å²	59.6	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-44.4	179	-177.3	173.4	-125.4	0	0	112.3	K77 I79 E116 R117 A118 L122 I123 D124	K77-E120 VanDerWaalsContact CE-OE1 3.27Å; K77-E120 WeakPolarHBondContact CE-OE1 3.36Å; K77-E120 IonicContact NZ-OE1 2.84Å; K77-E120 PolarHBondContact NZ-OE1 3.17Å; K77-E120 IonicContact NZ-OE2 3.19Å; K77-E120 PolarHBondContact NZ-OE2 3.27Å; I79-E120 HydrophobicContact CD1-CB 4.48Å; E116-E120 PolarHBondContact O-N 3.25Å; R117-E120 PolarHBondContact O-N 2.69Å; A118-E120 VanDerWaalsContact C-N 3.35Å; A118-E120 PolarHBondContact O-N 2.75Å; E120-L122 PolarHBondContact O-N 2.97Å; E120-I123 PolarHBondContact O-N 3.36Å; E120-D124 WeakPolarHBondContact O-CB 3.49Å; E120-D124 PolarHBondContact O-N 3.46Å
121	L	96.1	Very high	93.7	Very high	44 Å²	44	57.1 Å²	57.1	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-41.3	177	-70.6	172.3	0	0	0	112.4	R117 A118 M119 D124 F125 L141	R117-L121 WeakPolarHBondContact O-CG 3.38Å; R117-L121 PolarHBondContact O-N 3.36Å; A118-L121 PolarHBondContact O-N 2.64Å; M119-L121 VanDerWaalsContact C-N 3.34Å; M119-L121 PolarHBondContact O-N 3.36Å; L121-D124 PolarHBondContact O-N 3.04Å; L121-F125 WeakPolarHBondContact O-CB 3.4Å; L121-F125 PolarHBondContact O-N 3.04Å; L121-L141 HydrophobicContact CB-CD1 4.29Å
122	L	96.6	Very high	93.9	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-69.2	-38.4	179	-64.3	177.2	0	0	0	112	A118 M119 E120 A126 L141 A144 A145 L148 L150 I153	A118-L122 VanDerWaalsContact O-CG 3.26Å; A118-L122 WeakPolarHBondContact O-CG 3.34Å; A118-L122 PolarHBondContact O-N 2.91Å; M119-L122 PolarHBondContact O-N 3.2Å; E120-L122 PolarHBondContact O-N 2.97Å; L122-A126 PolarHBondContact O-N 3.16Å; L122-L141 HydrophobicContact CD2-CD1 3.57Å; L122-L141 HydrophobicContact CG-CD1 3.87Å; L122-A144 HydrophobicContact CD1-CB 3.5Å; L122-A144 VanDerWaalsContact CD1-CB 3.5Å; L122-A145 HydrophobicContact CD2-CB 4.27Å; L122-L148 HydrophobicContact CB-CD1 4.34Å; L122-L148 HydrophobicContact CD1-CD1 3.73Å; L122-L150 HydrophobicContact CB-CD1 4.03Å; L122-L150 HydrophobicContact CD1-CD1 4.34Å; L122-L150 HydrophobicContact CD2-CD1 3.87Å; L122-L150 HydrophobicContact CG-CD1 4.3Å; L122-I153 HydrophobicContact CD2-CD1 3.37Å; L122-I153 HydrophobicContact CD2-CG2 3.99Å
123	I	95.3	Very high	94.2	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-68.7	-44.8	174.1	-61.1	-64.3	0	0	0	109.6	L72 I79 L86 F93 M119 E120 F125 A126 Y127	L72-I123 HydrophobicContact CD1-CD1 3.64Å; L72-I123 HydrophobicContact CD1-CG1 4.26Å; I79-I123 HydrophobicContact CG2-CB 4.45Å; I79-I123 HydrophobicContact CG2-CG1 4.46Å; I79-I123 HydrophobicContact CG2-CG2 4Å; L86-I123 HydrophobicContact CD1-CD1 4.17Å; L86-I123 HydrophobicContact CD2-CD1 3.45Å; L86-I123 VanDerWaalsContact CD2-CD1 3.45Å; L86-I123 HydrophobicContact CD2-CG2 4.4Å; L86-I123 HydrophobicContact CG-CD1 4.47Å; F93-I123 HydrophobicContact CE2-CD1 3.98Å; F93-I123 HydrophobicContact CZ-CD1 4.26Å; M119-I123 HydrophobicContact CG-CG1 4.1Å; M119-I123 VanDerWaalsContact O-CG1 3.25Å; M119-I123 WeakPolarHBondContact O-CG1 3.4Å; M119-I123 PolarHBondContact O-N 2.89Å; M119-I123 HydrophobicContact SD-CD1 4.15Å; M119-I123 HydrophobicContact SD-CG1 3.97Å; E120-I123 PolarHBondContact O-N 3.36Å; I123-F125 VanDerWaalsContact C-N 3.3Å; I123-F125 PolarHBondContact O-N 2.9Å; I123-A126 WeakPolarHBondContact O-CB 3.33Å; I123-A126 PolarHBondContact O-N 3.4Å; I123-Y127 HydrophobicContact CG2-CD2 4.4Å; I123-Y127 HydrophobicContact CG2-CE2 4.11Å; I123-Y127 VanDerWaalsContact O-CD2 3.26Å; I123-Y127 WeakPolarHBondContact O-CD2 3.38Å
124	D	94.9	Very high	94.6	Very high	49 Å²	49	50.5 Å²	50.5	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-58.5	-43	176.3	-79.2	-10.2	0	0	0	111.4	R62 E120 L121 A126 Y127 T128	R62-D124 IonicContact CZ-OD1 3.67Å; R62-D124 VanDerWaalsContact CZ-OD1 3.24Å; R62-D124 IonicContact NH1-OD1 3.24Å; R62-D124 PolarHBondContact NH1-OD1 3.15Å; R62-D124 IonicContact NH2-OD1 2.77Å; R62-D124 PolarHBondContact NH2-OD1 3.29Å; E120-D124 WeakPolarHBondContact O-CB 3.49Å; E120-D124 PolarHBondContact O-N 3.46Å; L121-D124 PolarHBondContact O-N 3.04Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 3.19Å; D124-Y127 CarbonylContact O-C 3.54Å; D124-Y127 PolarHBondContact O-N 3.31Å; D124-T128 WeakPolarHBondContact O-CG2 3.29Å; D124-T128 PolarHBondContact O-N 3.18Å; D124-T128 PolarHBondContact O-OG1 3.23Å
125	F	96.1	Very high	94.5	Very high	25 Å²	25	56.1 Å²	56.1	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-54.5	-41.3	172.9	172	-91.8	0	0	0	112.5	L121 I123 Y127 T128 S129 V131 I153	L121-F125 WeakPolarHBondContact O-CB 3.4Å; L121-F125 PolarHBondContact O-N 3.04Å; I123-F125 VanDerWaalsContact C-N 3.3Å; I123-F125 PolarHBondContact O-N 2.9Å; F125-Y127 PolarHBondContact O-N 3.41Å; F125-Y127 VanDerWaalsContact O-N 3.09Å; F125-T128 PolarHBondContact O-N 2.84Å; F125-S129 VanDerWaalsContact O-CA 3.32Å; F125-S129 WeakPolarHBondContact O-CA 3.49Å; F125-S129 PolarHBondContact O-N 2.91Å; F125-V131 HydrophobicContact CB-CB 4.38Å; F125-V131 HydrophobicContact CD2-CB 4Å; F125-V131 HydrophobicContact CD2-CG1 3.94Å; F125-V131 HydrophobicContact CE2-CG1 4.38Å; F125-I153 HydrophobicContact CB-CD1 4.2Å; F125-I153 HydrophobicContact CD1-CD1 3.55Å; F125-I153 HydrophobicContact CD1-CG1 4.26Å; F125-I153 HydrophobicContact CD2-CD1 4.18Å; F125-I153 HydrophobicContact CD2-CG1 4.43Å; F125-I153 HydrophobicContact CE1-CD1 3.88Å; F125-I153 HydrophobicContact CE1-CG1 4.13Å; F125-I153 HydrophobicContact CE2-CD1 4.48Å; F125-I153 HydrophobicContact CE2-CG1 4.32Å; F125-I153 HydrophobicContact CG-CD1 3.7Å; F125-I153 HydrophobicContact CG-CG1 4.39Å; F125-I153 HydrophobicContact CZ-CD1 4.33Å; F125-I153 HydrophobicContact CZ-CG1 4.16Å
126	A	95.2	Very high	94.3	Very high	12 Å²	12	56.3 Å²	56.3	10%	0.099	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-20.8	178.6	0	0	0	0	0	113.5	I85 L86 C89 L122 I123 D124	I85-A126 HydrophobicContact CG2-CB 4.29Å; I85-A126 WeakPolarHBondContact CG2-O 3.43Å; L86-A126 HydrophobicContact CD2-CB 4.34Å; C89-A126 HydrophobicContact CB-CB 3.91Å; L122-A126 PolarHBondContact O-N 3.16Å; I123-A126 WeakPolarHBondContact O-CB 3.33Å; I123-A126 PolarHBondContact O-N 3.4Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 3.19Å
127	Y	94.9	Very high	94.3	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-107	-25.1	177.8	-69.3	-95.7	0	0	0	114	I58 N59 R62 H82 I85 L86 I123 D124 F125	I58-Y127 HydrophobicContact CG2-CD1 3.87Å; I58-Y127 HydrophobicContact CG2-CE1 3.66Å; N59-Y127 HydrophobicContact CB-CD1 4.31Å; N59-Y127 HydrophobicContact CB-CG 4.48Å; R62-Y127 HydrophobicContact CB-CD1 4.43Å; R62-Y127 HydrophobicContact CB-CE1 4.09Å; R62-Y127 HydrophobicContact CG-CE1 4.42Å; H82-Y127 PolarHBondContact N-OH 2.91Å; H82-Y127 AromaticContact ND1-CE1 3.6Å; H82-Y127 AromaticContact ND1-CZ 3.85Å; H82-Y127 PolarHBondContact ND1-OH 3.23Å; I85-Y127 HydrophobicContact CB-CE1 4.07Å; I85-Y127 HydrophobicContact CB-CE2 4.45Å; I85-Y127 HydrophobicContact CG1-CE1 3.92Å; I85-Y127 HydrophobicContact CG2-CD1 4.15Å; I85-Y127 HydrophobicContact CG2-CD2 4.2Å; I85-Y127 HydrophobicContact CG2-CE1 3.83Å; I85-Y127 HydrophobicContact CG2-CE2 3.85Å; I85-Y127 HydrophobicContact CG2-CG 4.32Å; L86-Y127 HydrophobicContact CD2-CE2 4.38Å; I123-Y127 HydrophobicContact CG2-CD2 4.4Å; I123-Y127 HydrophobicContact CG2-CE2 4.11Å; I123-Y127 VanDerWaalsContact O-CD2 3.26Å; I123-Y127 WeakPolarHBondContact O-CD2 3.38Å; D124-Y127 CarbonylContact O-C 3.54Å; D124-Y127 PolarHBondContact O-N 3.31Å; F125-Y127 PolarHBondContact O-N 3.41Å; F125-Y127 VanDerWaalsContact O-N 3.09Å
128	T	93.8	Very high	94.3	Very high	54 Å²	54	45.9 Å²	45.9	33%	0.331	26%	0.264	S	S	.	.	H	α-helix	trans	-107.5	-17.7	-174.9	64	0	0	0	0	113.6	D124 F125 Q130	D124-T128 WeakPolarHBondContact O-CG2 3.29Å; D124-T128 PolarHBondContact O-N 3.18Å; D124-T128 PolarHBondContact O-OG1 3.23Å; F125-T128 PolarHBondContact O-N 2.84Å; T128-Q130 PolarHBondContact O-N 2.63Å; T128-Q130 PolarHBondContact OG1-N 3.28Å; T128-Q130 VanDerWaalsContact OG1-N 3.16Å; T128-Q130 PolarHBondContact OG1-O 3.4Å
129	S	92.1	Very high	94.1	Very high	77 Å²	77	52.7 Å²	52.7	54%	0.538	30%	0.295	S	S	.	.	S	Bend	trans	55.6	27	-167.8	-51.3	0	0	0	0	113.2	F125	F125-S129 VanDerWaalsContact O-CA 3.32Å; F125-S129 WeakPolarHBondContact O-CA 3.49Å; F125-S129 PolarHBondContact O-N 2.91Å
130	Q	93	Very high	94	Very high	133 Å²	133	55.4 Å²	55.4	62%	0.621	31%	0.312	S	S	*	.			trans	-133.1	134.1	-178.5	-67.5	179.5	13.1	0	0	110.7	T128	T128-Q130 PolarHBondContact O-N 2.63Å; T128-Q130 PolarHBondContact OG1-N 3.28Å; T128-Q130 VanDerWaalsContact OG1-N 3.16Å; T128-Q130 PolarHBondContact OG1-O 3.4Å
131	V	95.4	Very high	94.1	Very high	39 Å²	39	52.2 Å²	52.2	24%	0.236	30%	0.297	C	S	.	.			trans	-144.7	138.7	173.2	64.6	0	0	0	0	108.9	F125 L141 I153	F125-V131 HydrophobicContact CB-CB 4.38Å; F125-V131 HydrophobicContact CD2-CB 4Å; F125-V131 HydrophobicContact CD2-CG1 3.94Å; F125-V131 HydrophobicContact CE2-CG1 4.38Å; V131-L141 HydrophobicContact CG2-CD2 4.06Å; V131-I153 HydrophobicContact CG1-CG1 4.35Å
132	T	94.9	Very high	94	Very high	92 Å²	92	50.1 Å²	50.1	56%	0.564	29%	0.286	S	S	*	.			trans	-104.9	117.3	176.3	-51.6	0	0	0	0	108.7	E134 N137	T132-E134 HydrophobicContact CG2-CG 3.91Å; T132-N137 PolarHBondContact O-ND2 3.15Å
133	V	95.3	Very high	93.8	Very high	29 Å²	29	51.7 Å²	51.7	18%	0.176	30%	0.296	C	S	.	.			trans	-94	126	176.3	-174.9	0	0	0	0	109	V138 L141 A156 F160	V133-V138 HydrophobicContact CG1-CB 4.08Å; V133-V138 HydrophobicContact CG1-CG2 3.99Å; V133-L141 HydrophobicContact CG2-CD2 4.09Å; V133-A156 HydrophobicContact CG2-CB 4.48Å; V133-F160 HydrophobicContact CG1-CB 3.86Å; V133-F160 HydrophobicContact CG1-CD1 4.03Å; V133-F160 HydrophobicContact CG1-CD2 4.29Å; V133-F160 HydrophobicContact CG1-CG 3.79Å
134	E	93.7	Very high	93.7	Very high	101 Å²	101	51.8 Å²	51.8	47%	0.472	30%	0.298	S	S	.	.			trans	-137.2	160.9	-175.7	-58.4	177.2	167.6	0	0	109.9	T132 G136 N137 V138	T132-E134 HydrophobicContact CG2-CG 3.91Å; E134-G136 PolarHBondContact O-N 3.1Å; E134-N137 PolarHBondContact N-OD1 2.93Å; E134-N137 PolarHBondContact O-N 3.25Å; E134-N137 VanDerWaalsContact O-N 3.08Å; E134-N137 PolarHBondContact O-OD1 2.87Å; E134-V138 WeakPolarHBondContact O-CB 3.42Å; E134-V138 PolarHBondContact O-N 2.93Å
135	E	89.1	Confident	93.7	Very high	138 Å²	138	49.5 Å²	49.5	65%	0.645	29%	0.285	S	S	*	.	H	α-helix	trans	-56	-39.1	178.9	-63.6	176.9	-174.7	0	0	112.5	N137 F160	E135-N137 VanDerWaalsContact C-N 3.29Å; E135-N137 PolarHBondContact O-N 3.34Å; E135-F160 HydrophobicContact CG-CE1 4.16Å; E135-F160 HydrophobicContact CG-CZ 3.88Å
136	G	91.3	Very high	93.4	Very high	78 Å²	78	49.7 Å²	49.7	80%	0.804	29%	0.29	S	S	*	.	H	α-helix	trans	-75.4	-11.6	-178.8	0	0	0	0	0	115.1	E134	E134-G136 PolarHBondContact O-N 3.1Å
137	N	93.9	Very high	93.3	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-119.5	-22	-177.6	75.7	22.2	0	0	0	114.1	T132 E134 E135 Q139 T140 L141	T132-N137 PolarHBondContact O-ND2 3.15Å; E134-N137 PolarHBondContact N-OD1 2.93Å; E134-N137 PolarHBondContact O-N 3.25Å; E134-N137 VanDerWaalsContact O-N 3.08Å; E134-N137 PolarHBondContact O-OD1 2.87Å; E135-N137 VanDerWaalsContact C-N 3.29Å; E135-N137 PolarHBondContact O-N 3.34Å; N137-Q139 PolarHBondContact O-N 3.11Å; N137-Q139 VanDerWaalsContact O-N 3.16Å; N137-T140 PolarHBondContact O-N 3.04Å; N137-T140 VanDerWaalsContact O-N 3.09Å; N137-T140 PolarHBondContact O-OG1 3.49Å; N137-L141 WeakPolarHBondContact O-CB 3.4Å; N137-L141 PolarHBondContact O-N 2.92Å
138	V	93.3	Very high	93.2	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.03	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-33.9	-172.3	67.5	0	0	0	0	113.1	V133 E134 T140 L142 C157 F160 L161	V133-V138 HydrophobicContact CG1-CB 4.08Å; V133-V138 HydrophobicContact CG1-CG2 3.99Å; E134-V138 WeakPolarHBondContact O-CB 3.42Å; E134-V138 PolarHBondContact O-N 2.93Å; V138-T140 VanDerWaalsContact C-N 3.35Å; V138-T140 PolarHBondContact O-N 3.38Å; V138-L142 WeakPolarHBondContact O-CB 3.47Å; V138-L142 PolarHBondContact O-N 3.3Å; V138-C157 HydrophobicContact CG2-CB 4.1Å; V138-F160 HydrophobicContact CB-CD1 4.38Å; V138-F160 HydrophobicContact CG1-CD1 4.47Å; V138-F160 HydrophobicContact CG1-CE1 4.39Å; V138-F160 HydrophobicContact CG2-CD1 4.24Å; V138-L161 HydrophobicContact CG1-CD2 4.07Å; V138-L161 HydrophobicContact CG2-CD1 4.14Å; V138-L161 HydrophobicContact CG2-CD2 4.09Å; V138-L161 HydrophobicContact CG2-CG 3.94Å
139	Q	91.3	Very high	93.2	Very high	145 Å²	145	55.2 Å²	55.2	68%	0.678	31%	0.312	S	S	*	.	H	α-helix	trans	-66.8	-31.5	179.4	-69.1	-174.9	-10.5	0	0	113.3	N137 P143	N137-Q139 PolarHBondContact O-N 3.11Å; N137-Q139 VanDerWaalsContact O-N 3.16Å; Q139-P143 WeakPolarHBondContact O-CD 3.26Å; Q139-P143 WeakPolarHBondContact O-CG 3.45Å
140	T	94.1	Very high	93.3	Very high	57 Å²	57	52.1 Å²	52.1	35%	0.35	29%	0.289	S	S	.	.	H	α-helix	trans	-97.3	-27.2	177	57.6	0	0	0	0	112.3	D115 N137 V138 A144	D115-T140 HydrophobicContact CB-CG2 4.16Å; N137-T140 PolarHBondContact O-N 3.04Å; N137-T140 VanDerWaalsContact O-N 3.09Å; N137-T140 PolarHBondContact O-OG1 3.49Å; V138-T140 VanDerWaalsContact C-N 3.35Å; V138-T140 PolarHBondContact O-N 3.38Å; T140-A144 WeakPolarHBondContact O-CB 3.39Å
141	L	95.4	Very high	93.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-74.6	-45.2	-178.8	-173.2	65.6	0	0	0	112.7	L121 L122 V131 V133 N137 A144 A145 I153	L121-L141 HydrophobicContact CB-CD1 4.29Å; L122-L141 HydrophobicContact CD2-CD1 3.57Å; L122-L141 HydrophobicContact CG-CD1 3.87Å; V131-L141 HydrophobicContact CG2-CD2 4.06Å; V133-L141 HydrophobicContact CG2-CD2 4.09Å; N137-L141 WeakPolarHBondContact O-CB 3.4Å; N137-L141 PolarHBondContact O-N 2.92Å; L141-A144 PolarHBondContact O-N 2.87Å; L141-A145 WeakPolarHBondContact O-CB 3.38Å; L141-A145 PolarHBondContact O-N 3.02Å; L141-I153 HydrophobicContact CD2-CG2 4.36Å; L141-I153 HydrophobicContact CG-CG2 4.28Å
142	L	93.6	Very high	93.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-48.1	-179.7	179.4	65.2	0	0	0	112.5	V138 A144 A145 C146 Q154 C157 L161 F176	V138-L142 WeakPolarHBondContact O-CB 3.47Å; V138-L142 PolarHBondContact O-N 3.3Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.23Å; L142-A145 PolarHBondContact O-N 3.19Å; L142-C146 PolarHBondContact O-N 2.88Å; L142-C146 PolarHBondContact O-SG 2.94Å; L142-Q154 HydrophobicContact CD1-CB 4.09Å; L142-Q154 HydrophobicContact CD1-CG 4.2Å; L142-C157 HydrophobicContact CB-CB 4.02Å; L142-C157 HydrophobicContact CD1-CB 3.75Å; L142-C157 HydrophobicContact CG-CB 4.35Å; L142-L161 HydrophobicContact CD2-CD1 4.25Å; L142-F176 HydrophobicContact CB-CE1 4.04Å; L142-F176 HydrophobicContact CB-CZ 4.08Å; L142-F176 HydrophobicContact CD2-CD1 4.04Å; L142-F176 HydrophobicContact CD2-CE1 3.36Å; L142-F176 HydrophobicContact CD2-CZ 4.1Å; L142-F176 HydrophobicContact CG-CE1 4.2Å
143	P	92.3	Very high	93.1	Very high	34 Å²	34	49 Å²	49	22%	0.221	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-39.8	179	-22.1	34.6	0	0	0	112.1	Q139 C146 L147 F176 H180	Q139-P143 WeakPolarHBondContact O-CD 3.26Å; Q139-P143 WeakPolarHBondContact O-CG 3.45Å; P143-C146 WeakPolarHBondContact O-CB 3.35Å; P143-C146 PolarHBondContact O-N 2.95Å; P143-L147 WeakPolarHBondContact O-CB 3.45Å; P143-L147 PolarHBondContact O-N 3.32Å; P143-F176 HydrophobicContact CG-CE2 4.04Å; P143-F176 HydrophobicContact CG-CZ 3.98Å; P143-H180 VanDerWaalsContact CB-CE1 3.5Å; P143-H180 WeakPolarHBondContact CB-CE1 3.42Å; P143-H180 VanDerWaalsContact CG-CE1 3.49Å; P143-H180 WeakPolarHBondContact CG-CE1 3.45Å; P143-H180 WeakPolarHBondContact CG-NE2 3.38Å
144	A	94	Very high	93	Very high	5 Å²	5	50 Å²	50	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-42.1	176.4	0	0	0	0	0	111.6	I114 A118 L122 T140 L141 L142 L147 L148	I114-A144 HydrophobicContact CG2-CB 3.75Å; A118-A144 HydrophobicContact CB-CB 4.04Å; L122-A144 HydrophobicContact CD1-CB 3.5Å; L122-A144 VanDerWaalsContact CD1-CB 3.5Å; T140-A144 WeakPolarHBondContact O-CB 3.39Å; L141-A144 PolarHBondContact O-N 2.87Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.23Å; A144-L147 PolarHBondContact O-N 2.98Å; A144-L148 WeakPolarHBondContact O-CB 3.46Å; A144-L148 WeakPolarHBondContact O-CG 3.46Å; A144-L148 PolarHBondContact O-N 3.3Å
145	A	94.2	Very high	92.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-36	174.5	0	0	0	0	0	112.5	L122 L141 L142 Q149 L150 I153 Q154	L122-A145 HydrophobicContact CD2-CB 4.27Å; L141-A145 WeakPolarHBondContact O-CB 3.38Å; L141-A145 PolarHBondContact O-N 3.02Å; L142-A145 PolarHBondContact O-N 3.19Å; A145-Q149 PolarHBondContact O-N 2.86Å; A145-L150 HydrophobicContact CB-CB 4.38Å; A145-L150 PolarHBondContact O-N 3.48Å; A145-I153 HydrophobicContact CB-CB 4.07Å; A145-I153 HydrophobicContact CB-CG2 3.93Å; A145-Q154 HydrophobicContact CB-CG 3.91Å; A145-Q154 PolarHBondContact O-NE2 2.96Å
146	C	91.3	Very high	93.1	Very high	29 Å²	29	47.1 Å²	47.1	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-51.1	171.8	-71.2	0	0	0	0	111.6	L142 P143 L148 Q149 Q154	L142-C146 PolarHBondContact O-N 2.88Å; L142-C146 PolarHBondContact O-SG 2.94Å; P143-C146 WeakPolarHBondContact O-CB 3.35Å; P143-C146 PolarHBondContact O-N 2.95Å; C146-L148 PolarHBondContact O-N 2.89Å; C146-Q149 PolarHBondContact O-N 3.5Å; C146-Q149 VanDerWaalsContact O-N 3.11Å; C146-Q154 VanDerWaalsContact CA-NE2 3.33Å
147	L	92.1	Very high	93.3	Very high	76 Å²	76	43.4 Å²	43.4	40%	0.398	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-43.9	-179.1	-176.9	62	0	0	0	112.2	I114 P143 A144 Q149	I114-L147 HydrophobicContact CD1-CD2 3.67Å; I114-L147 HydrophobicContact CD1-CG 4.49Å; I114-L147 HydrophobicContact CG1-CD2 3.65Å; P143-L147 WeakPolarHBondContact O-CB 3.45Å; P143-L147 PolarHBondContact O-N 3.32Å; A144-L147 PolarHBondContact O-N 2.98Å; L147-Q149 PolarHBondContact O-N 3.35Å
148	L	93	Very high	93.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.9	177.4	-60.2	-176.1	0	0	0	113.4	S90 Y92 F93 I114 M119 L122 A144 C146 L150	S90-L148 PolarHBondContact OG-O 3.32Å; Y92-L148 HydrophobicContact CD1-CD2 3.46Å; Y92-L148 VanDerWaalsContact CD1-CD2 3.46Å; Y92-L148 HydrophobicContact CE1-CD2 3.75Å; Y92-L148 HydrophobicContact CG-CD2 4.11Å; F93-L148 HydrophobicContact CE1-CD2 4.39Å; F93-L148 HydrophobicContact CE2-CD1 3.99Å; F93-L148 HydrophobicContact CE2-CD2 3.95Å; F93-L148 HydrophobicContact CZ-CD1 4.23Å; F93-L148 HydrophobicContact CZ-CD2 3.77Å; I114-L148 HydrophobicContact CD1-CD1 4.47Å; I114-L148 HydrophobicContact CD1-CD2 4.07Å; I114-L148 HydrophobicContact CD1-CG 4.19Å; M119-L148 HydrophobicContact SD-CD1 3.83Å; L122-L148 HydrophobicContact CB-CD1 4.34Å; L122-L148 HydrophobicContact CD1-CD1 3.73Å; A144-L148 WeakPolarHBondContact O-CB 3.46Å; A144-L148 WeakPolarHBondContact O-CG 3.46Å; A144-L148 PolarHBondContact O-N 3.3Å; C146-L148 PolarHBondContact O-N 2.89Å; L148-L150 VanDerWaalsContact C-N 3.31Å; L148-L150 HydrophobicContact CB-CD1 4.09Å; L148-L150 HydrophobicContact CB-CG 4.17Å; L148-L150 HydrophobicContact CD1-CD1 4.46Å; L148-L150 PolarHBondContact O-N 3.28Å
149	Q	93.5	Very high	93.1	Very high	107 Å²	107	47.2 Å²	47.2	50%	0.5	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	39.1	178.7	-55.8	-179.4	16.8	0	0	113.8	P91 A145 C146 L147 A151	P91-Q149 HydrophobicContact CB-CB 4.19Å; P91-Q149 WeakPolarHBondContact CD-O 3.2Å; P91-Q149 HydrophobicContact CG-CB 4.11Å; A145-Q149 PolarHBondContact O-N 2.86Å; C146-Q149 PolarHBondContact O-N 3.5Å; C146-Q149 VanDerWaalsContact O-N 3.11Å; L147-Q149 PolarHBondContact O-N 3.35Å; Q149-A151 PolarHBondContact O-N 2.85Å
150	L	94.4	Very high	93.3	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.063	23%	0.23	C	C	.	.			trans	-90.8	83.7	177.2	-67.1	170.9	0	0	0	110.5	C89 L122 A145 L148 E152 I153 Q154	C89-L150 WeakPolarHBondContact O-CD2 3.42Å; L122-L150 HydrophobicContact CB-CD1 4.03Å; L122-L150 HydrophobicContact CD1-CD1 4.34Å; L122-L150 HydrophobicContact CD2-CD1 3.87Å; L122-L150 HydrophobicContact CG-CD1 4.3Å; A145-L150 HydrophobicContact CB-CB 4.38Å; A145-L150 PolarHBondContact O-N 3.48Å; L148-L150 VanDerWaalsContact C-N 3.31Å; L148-L150 HydrophobicContact CB-CD1 4.09Å; L148-L150 HydrophobicContact CB-CG 4.17Å; L148-L150 HydrophobicContact CD1-CD1 4.46Å; L148-L150 PolarHBondContact O-N 3.28Å; L150-E152 PolarHBondContact O-N 3.37Å; L150-I153 HydrophobicContact CB-CB 4.42Å; L150-I153 HydrophobicContact CB-CD1 4.14Å; L150-I153 HydrophobicContact CB-CG1 4.41Å; L150-I153 HydrophobicContact CD1-CD1 3.96Å; L150-I153 PolarHBondContact O-N 3.5Å; L150-Q154 WeakPolarHBondContact O-CG 3.47Å; L150-Q154 PolarHBondContact O-N 3.31Å; L150-Q154 VanDerWaalsContact O-N 3.1Å
151	A	91.8	Very high	93.2	Very high	55 Å²	55	40.6 Å²	40.6	46%	0.455	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-43.1	-172.1	0	0	0	0	0	114.1	Q149 I153 Q154 E155	Q149-A151 PolarHBondContact O-N 2.85Å; A151-I153 VanDerWaalsContact C-N 3.27Å; A151-I153 PolarHBondContact O-N 3.35Å; A151-Q154 WeakPolarHBondContact O-CB 3.38Å; A151-Q154 PolarHBondContact O-N 3.34Å; A151-Q154 VanDerWaalsContact O-N 3.15Å; A151-E155 WeakPolarHBondContact O-CG 3.13Å; A151-E155 PolarHBondContact O-N 2.9Å
152	E	93.6	Very high	92.9	Very high	142 Å²	142	43 Å²	43	66%	0.664	23%	0.227	S	C	*	.	H	α-helix	trans	-59.7	-37.8	179.7	-74.2	-178.1	177.2	0	0	112.5	L150 A156	L150-E152 PolarHBondContact O-N 3.37Å; E152-A156 WeakPolarHBondContact O-CB 3.44Å; E152-A156 PolarHBondContact O-N 3.39Å
153	I	94.3	Very high	92.8	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-76.3	-36.3	179.5	-55.2	176.9	0	0	0	110.3	L122 F125 V131 L141 A145 L150 A151 E155 A156 C157	L122-I153 HydrophobicContact CD2-CD1 3.37Å; L122-I153 HydrophobicContact CD2-CG2 3.99Å; F125-I153 HydrophobicContact CB-CD1 4.2Å; F125-I153 HydrophobicContact CD1-CD1 3.55Å; F125-I153 HydrophobicContact CD1-CG1 4.26Å; F125-I153 HydrophobicContact CD2-CD1 4.18Å; F125-I153 HydrophobicContact CD2-CG1 4.43Å; F125-I153 HydrophobicContact CE1-CD1 3.88Å; F125-I153 HydrophobicContact CE1-CG1 4.13Å; F125-I153 HydrophobicContact CE2-CD1 4.48Å; F125-I153 HydrophobicContact CE2-CG1 4.32Å; F125-I153 HydrophobicContact CG-CD1 3.7Å; F125-I153 HydrophobicContact CG-CG1 4.39Å; F125-I153 HydrophobicContact CZ-CD1 4.33Å; F125-I153 HydrophobicContact CZ-CG1 4.16Å; V131-I153 HydrophobicContact CG1-CG1 4.35Å; L141-I153 HydrophobicContact CD2-CG2 4.36Å; L141-I153 HydrophobicContact CG-CG2 4.28Å; A145-I153 HydrophobicContact CB-CB 4.07Å; A145-I153 HydrophobicContact CB-CG2 3.93Å; L150-I153 HydrophobicContact CB-CB 4.42Å; L150-I153 HydrophobicContact CB-CD1 4.14Å; L150-I153 HydrophobicContact CB-CG1 4.41Å; L150-I153 HydrophobicContact CD1-CD1 3.96Å; L150-I153 PolarHBondContact O-N 3.5Å; A151-I153 VanDerWaalsContact C-N 3.27Å; A151-I153 PolarHBondContact O-N 3.35Å; I153-E155 VanDerWaalsContact C-N 3.33Å; I153-E155 PolarHBondContact O-N 3.16Å; I153-A156 PolarHBondContact O-N 3.23Å; I153-C157 WeakPolarHBondContact O-CB 3.17Å; I153-C157 PolarHBondContact O-N 3.05Å; I153-C157 PolarHBondContact O-SG 2.97Å; I153-C157 VanDerWaalsContact O-SG 3.34Å
154	Q	92.6	Very high	92.7	Very high	50 Å²	50	54.8 Å²	54.8	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-47.6	172.3	-66.6	169.8	31.2	0	0	110.8	L142 A145 C146 L150 A151 A156 C157 C158	L142-Q154 HydrophobicContact CD1-CB 4.09Å; L142-Q154 HydrophobicContact CD1-CG 4.2Å; A145-Q154 HydrophobicContact CB-CG 3.91Å; A145-Q154 PolarHBondContact O-NE2 2.96Å; C146-Q154 VanDerWaalsContact CA-NE2 3.33Å; L150-Q154 WeakPolarHBondContact O-CG 3.47Å; L150-Q154 PolarHBondContact O-N 3.31Å; L150-Q154 VanDerWaalsContact O-N 3.1Å; A151-Q154 WeakPolarHBondContact O-CB 3.38Å; A151-Q154 PolarHBondContact O-N 3.34Å; A151-Q154 VanDerWaalsContact O-N 3.15Å; Q154-A156 PolarHBondContact O-N 3.02Å; Q154-C157 PolarHBondContact O-N 2.84Å; Q154-C158 WeakPolarHBondContact O-CB 3.16Å; Q154-C158 PolarHBondContact O-N 2.92Å; Q154-C158 PolarHBondContact O-SG 3.45Å
155	E	91.6	Very high	92.6	Very high	136 Å²	136	55.8 Å²	55.8	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-60.7	-45.4	177.1	-72.8	178.6	-170.4	0	0	111.8	A151 I153 C157 C158 E159	A151-E155 WeakPolarHBondContact O-CG 3.13Å; A151-E155 PolarHBondContact O-N 2.9Å; I153-E155 VanDerWaalsContact C-N 3.33Å; I153-E155 PolarHBondContact O-N 3.16Å; E155-C157 PolarHBondContact O-N 3.16Å; E155-C158 PolarHBondContact O-N 3.37Å; E155-E159 WeakPolarHBondContact O-CB 3.44Å; E155-E159 WeakPolarHBondContact O-CG 3.45Å; E155-E159 PolarHBondContact O-N 3.09Å
156	A	94.1	Very high	92.4	Very high	42 Å²	42	59.3 Å²	59.3	35%	0.347	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-44.3	176.8	0	0	0	0	0	112.7	V133 E152 I153 Q154 E159 F160	V133-A156 HydrophobicContact CG2-CB 4.48Å; E152-A156 WeakPolarHBondContact O-CB 3.44Å; E152-A156 PolarHBondContact O-N 3.39Å; I153-A156 PolarHBondContact O-N 3.23Å; Q154-A156 PolarHBondContact O-N 3.02Å; A156-E159 PolarHBondContact O-N 3.09Å; A156-F160 WeakPolarHBondContact O-CB 3.5Å; A156-F160 PolarHBondContact O-N 3.08Å
157	C	94.4	Very high	92.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-42.5	175	-74.1	0	0	0	0	112	V138 L142 I153 Q154 E155 F160 L161	V138-C157 HydrophobicContact CG2-CB 4.1Å; L142-C157 HydrophobicContact CB-CB 4.02Å; L142-C157 HydrophobicContact CD1-CB 3.75Å; L142-C157 HydrophobicContact CG-CB 4.35Å; I153-C157 WeakPolarHBondContact O-CB 3.17Å; I153-C157 PolarHBondContact O-N 3.05Å; I153-C157 PolarHBondContact O-SG 2.97Å; I153-C157 VanDerWaalsContact O-SG 3.34Å; Q154-C157 PolarHBondContact O-N 2.84Å; E155-C157 PolarHBondContact O-N 3.16Å; C157-F160 PolarHBondContact O-N 3.15Å; C157-L161 WeakPolarHBondContact O-CG 3.39Å; C157-L161 PolarHBondContact O-N 3.17Å
158	C	92.1	Very high	92.2	Very high	17 Å²	17	58.5 Å²	58.5	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-42.6	175.6	-73.1	0	0	0	0	112	Q154 E155 F160 L161 K162 L185	Q154-C158 WeakPolarHBondContact O-CB 3.16Å; Q154-C158 PolarHBondContact O-N 2.92Å; Q154-C158 PolarHBondContact O-SG 3.45Å; E155-C158 PolarHBondContact O-N 3.37Å; C158-F160 VanDerWaalsContact C-N 3.34Å; C158-L161 PolarHBondContact O-N 2.94Å; C158-K162 VanDerWaalsContact O-CG 3.25Å; C158-K162 WeakPolarHBondContact O-CG 3.49Å; C158-K162 PolarHBondContact O-N 3.02Å; C158-L185 HydrophobicContact CB-CB 4.47Å
159	E	92.1	Very high	92.1	Very high	82 Å²	82	60.7 Å²	60.7	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-38.3	175.7	-78.1	-59.4	129.6	0	0	112.5	E155 A156 K162 R163	E155-E159 WeakPolarHBondContact O-CB 3.44Å; E155-E159 WeakPolarHBondContact O-CG 3.45Å; E155-E159 PolarHBondContact O-N 3.09Å; A156-E159 PolarHBondContact O-N 3.09Å; E159-K162 PolarHBondContact O-N 3.18Å; E159-K162 WeakPolarHBondContact OE1-CD 3.43Å; E159-K162 WeakPolarHBondContact OE1-CE 3.5Å; E159-K162 IonicContact OE1-NZ 3.8Å; E159-K162 PolarHBondContact OE1-NZ 3.42Å; E159-R163 WeakPolarHBondContact O-CG 3.25Å; E159-R163 PolarHBondContact O-N 2.91Å
160	F	94.3	Very high	92	Very high	47 Å²	47	55.6 Å²	55.6	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-49.8	172.7	-178.1	-94	0	0	0	111.3	V133 E135 V138 A156 C157 C158 K162 R163 Q164	V133-F160 HydrophobicContact CG1-CB 3.86Å; V133-F160 HydrophobicContact CG1-CD1 4.03Å; V133-F160 HydrophobicContact CG1-CD2 4.29Å; V133-F160 HydrophobicContact CG1-CG 3.79Å; E135-F160 HydrophobicContact CG-CE1 4.16Å; E135-F160 HydrophobicContact CG-CZ 3.88Å; V138-F160 HydrophobicContact CB-CD1 4.38Å; V138-F160 HydrophobicContact CG1-CD1 4.47Å; V138-F160 HydrophobicContact CG1-CE1 4.39Å; V138-F160 HydrophobicContact CG2-CD1 4.24Å; A156-F160 WeakPolarHBondContact O-CB 3.5Å; A156-F160 PolarHBondContact O-N 3.08Å; C157-F160 PolarHBondContact O-N 3.15Å; C158-F160 VanDerWaalsContact C-N 3.34Å; F160-K162 PolarHBondContact O-N 2.85Å; F160-R163 PolarHBondContact O-N 3.1Å; F160-Q164 HydrophobicContact CE1-CG 4.1Å; F160-Q164 HydrophobicContact CZ-CG 4.18Å; F160-Q164 WeakPolarHBondContact O-CG 3.49Å; F160-Q164 PolarHBondContact O-N 3.16Å
161	L	93.4	Very high	92	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-38	179.1	-69.9	171.8	0	0	0	112.7	V138 L142 C157 C158 R163 Q164 L165 I173 F176 L185	V138-L161 HydrophobicContact CG1-CD2 4.07Å; V138-L161 HydrophobicContact CG2-CD1 4.14Å; V138-L161 HydrophobicContact CG2-CD2 4.09Å; V138-L161 HydrophobicContact CG2-CG 3.94Å; L142-L161 HydrophobicContact CD2-CD1 4.25Å; C157-L161 WeakPolarHBondContact O-CG 3.39Å; C157-L161 PolarHBondContact O-N 3.17Å; C158-L161 PolarHBondContact O-N 2.94Å; L161-R163 VanDerWaalsContact C-N 3.26Å; L161-R163 PolarHBondContact O-N 3.48Å; L161-Q164 PolarHBondContact O-N 2.71Å; L161-Q164 VanDerWaalsContact O-N 3.14Å; L161-L165 PolarHBondContact O-N 2.92Å; L161-I173 HydrophobicContact CB-CG2 4.35Å; L161-I173 HydrophobicContact CD2-CD1 4.4Å; L161-I173 HydrophobicContact CD2-CG1 4.38Å; L161-F176 HydrophobicContact CD1-CD1 3.98Å; L161-F176 HydrophobicContact CD1-CE1 3.95Å; L161-L185 HydrophobicContact CB-CD1 4.04Å; L161-L185 HydrophobicContact CB-CD2 4.1Å; L161-L185 HydrophobicContact CD1-CD2 3.63Å
162	K	89.4	Confident	91.9	Very high	50 Å²	50	54.2 Å²	54.2	22%	0.217	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-37.7	175.3	-73.6	172.1	-160.5	-177.6	0	112.5	C158 E159 F160 Q164 L185 I188	C158-K162 VanDerWaalsContact O-CG 3.25Å; C158-K162 WeakPolarHBondContact O-CG 3.49Å; C158-K162 PolarHBondContact O-N 3.02Å; E159-K162 PolarHBondContact O-N 3.18Å; E159-K162 WeakPolarHBondContact OE1-CD 3.43Å; E159-K162 WeakPolarHBondContact OE1-CE 3.5Å; E159-K162 IonicContact OE1-NZ 3.8Å; E159-K162 PolarHBondContact OE1-NZ 3.42Å; F160-K162 PolarHBondContact O-N 2.85Å; K162-Q164 VanDerWaalsContact C-N 3.29Å; K162-L185 HydrophobicContact CG-CD1 3.82Å; K162-I188 HydrophobicContact CD-CD1 3.64Å; K162-I188 VanDerWaalsContact CE-CD1 3.46Å; K162-I188 HydrophobicContact CG-CD1 4.08Å; K162-I188 HydrophobicContact CG-CG2 4.45Å
163	R	90.5	Very high	91.8	Very high	201 Å²	201	48.1 Å²	48.1	76%	0.758	25%	0.247	S	C	*	.	H	α-helix	trans	-75.6	-18.6	-180	-68.3	176.2	-173.1	-172.5	2.1	113.3	E159 F160 L161	E159-R163 WeakPolarHBondContact O-CG 3.25Å; E159-R163 PolarHBondContact O-N 2.91Å; F160-R163 PolarHBondContact O-N 3.1Å; L161-R163 VanDerWaalsContact C-N 3.26Å; L161-R163 PolarHBondContact O-N 3.48Å
164	Q	91.2	Very high	91.8	Very high	82 Å²	82	48.9 Å²	48.9	38%	0.383	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	11.7	-178.8	-62.2	-61.3	-20	0	0	113	F160 L161 K162 D166 N169	F160-Q164 HydrophobicContact CE1-CG 4.1Å; F160-Q164 HydrophobicContact CZ-CG 4.18Å; F160-Q164 WeakPolarHBondContact O-CG 3.49Å; F160-Q164 PolarHBondContact O-N 3.16Å; L161-Q164 PolarHBondContact O-N 2.71Å; L161-Q164 VanDerWaalsContact O-N 3.14Å; K162-Q164 VanDerWaalsContact C-N 3.29Å; Q164-D166 PolarHBondContact O-N 3.33Å; Q164-N169 PolarHBondContact O-ND2 3.42Å; Q164-N169 PolarHBondContact O-OD1 3.28Å
165	L	90.3	Very high	91.6	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.136	25%	0.248	C	C	.	.			trans	-65.5	120.7	177	-81.8	167.9	0	0	0	110.8	L161 C170 I173 I188 A189 F192	L161-L165 PolarHBondContact O-N 2.92Å; L165-C170 HydrophobicContact CD2-CB 4.19Å; L165-I173 HydrophobicContact CD2-CB 4.22Å; L165-I173 HydrophobicContact CD2-CD1 3.92Å; L165-I173 HydrophobicContact CD2-CG2 4.02Å; L165-I173 HydrophobicContact CG-CD1 4.47Å; L165-I188 HydrophobicContact CD1-CG2 3.7Å; L165-A189 HydrophobicContact CD2-CB 4.3Å; L165-F192 HydrophobicContact CB-CD2 4.27Å; L165-F192 HydrophobicContact CB-CE2 4.24Å; L165-F192 HydrophobicContact CB-CG 4.44Å; L165-F192 HydrophobicContact CB-CZ 4.4Å
166	D	90.8	Very high	91.5	Very high	73 Å²	73	43 Å²	43	39%	0.39	23%	0.226	S	C	.	.			trans	-134.5	150.6	178.7	-175.6	-91.9	0	0	0	109.5	Q164 S168 N169 C170	Q164-D166 PolarHBondContact O-N 3.33Å; D166-S168 PolarHBondContact O-N 3.35Å; D166-S168 VanDerWaalsContact O-N 3.08Å; D166-S168 VanDerWaalsContact OD1-CB 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.31Å; D166-S168 PolarHBondContact OD1-N 3.19Å; D166-S168 PolarHBondContact OD1-OG 3.43Å; D166-N169 PolarHBondContact N-OD1 3.01Å; D166-N169 PolarHBondContact O-N 3.37Å; D166-N169 VanDerWaalsContact O-N 3.08Å; D166-N169 PolarHBondContact O-OD1 3.48Å; D166-C170 VanDerWaalsContact O-CB 3.31Å; D166-C170 WeakPolarHBondContact O-CB 3.5Å; D166-C170 PolarHBondContact O-N 2.89Å
167	P	89.2	Confident	91.4	Very high	18 Å²	18	41 Å²	41	12%	0.117	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.8	177.4	-28.3	37.8	0	0	0	114	F192 N196 E199 V200	P167-F192 HydrophobicContact CG-CE1 4.27Å; P167-F192 HydrophobicContact CG-CZ 4.4Å; P167-N196 HydrophobicContact CG-CB 4.32Å; P167-E199 HydrophobicContact CB-CB 3.74Å; P167-E199 HydrophobicContact CG-CB 4.18Å; P167-V200 HydrophobicContact CB-CG2 4.3Å
168	S	89.8	Confident	91.2	Very high	70 Å²	70	45.3 Å²	45.3	49%	0.49	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.6	179.4	64.7	0	0	0	0	115.4	D166 E205	D166-S168 PolarHBondContact O-N 3.35Å; D166-S168 VanDerWaalsContact O-N 3.08Å; D166-S168 VanDerWaalsContact OD1-CB 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.31Å; D166-S168 PolarHBondContact OD1-N 3.19Å; D166-S168 PolarHBondContact OD1-OG 3.43Å; S168-E205 WeakPolarHBondContact O-CG 3.5Å
169	N	90.6	Very high	91	Very high	47 Å²	47	49.4 Å²	49.4	25%	0.251	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-5.4	-174.3	72.1	17.8	0	0	0	114.2	Q164 D166 L171 G172 I173 E205	Q164-N169 PolarHBondContact O-ND2 3.42Å; Q164-N169 PolarHBondContact O-OD1 3.28Å; D166-N169 PolarHBondContact N-OD1 3.01Å; D166-N169 PolarHBondContact O-N 3.37Å; D166-N169 VanDerWaalsContact O-N 3.08Å; D166-N169 PolarHBondContact O-OD1 3.48Å; N169-L171 PolarHBondContact O-N 2.97Å; N169-G172 PolarHBondContact O-N 3.16Å; N169-I173 WeakPolarHBondContact O-CG1 3.49Å; N169-I173 PolarHBondContact O-N 3.36Å; N169-I173 WeakPolarHBondContact OD1-CD1 3.33Å; N169-E205 WeakPolarHBondContact CA-OE2 3.42Å
170	C	92.8	Very high	90.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-29.9	-171.4	67	0	0	0	0	112.9	L165 D166 R174 F192 T193 V200	L165-C170 HydrophobicContact CD2-CB 4.19Å; D166-C170 VanDerWaalsContact O-CB 3.31Å; D166-C170 WeakPolarHBondContact O-CB 3.5Å; D166-C170 PolarHBondContact O-N 2.89Å; C170-R174 WeakPolarHBondContact O-CB 3.32Å; C170-R174 PolarHBondContact O-N 3.22Å; C170-F192 HydrophobicContact CB-CD1 3.7Å; C170-F192 HydrophobicContact CB-CE1 4.05Å; C170-T193 PolarHBondContact SG-OG1 3.37Å; C170-T193 VanDerWaalsContact SG-OG1 3.41Å; C170-V200 VanDerWaalsContact SG-CG2 3.54Å
171	L	92.6	Very high	90.3	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-73.2	-41.5	178	-62.4	174.7	0	0	0	110.6	N169 R174 A175 T193 V200 E205 F206 L209 I217	N169-L171 PolarHBondContact O-N 2.97Å; L171-R174 WeakPolarHBondContact O-CB 3.28Å; L171-R174 PolarHBondContact O-N 3.09Å; L171-A175 WeakPolarHBondContact O-CB 3.47Å; L171-A175 PolarHBondContact O-N 3.47Å; L171-T193 HydrophobicContact CD2-CG2 3.65Å; L171-V200 HydrophobicContact CD1-CG1 3.6Å; L171-V200 HydrophobicContact CD2-CG1 4.01Å; L171-V200 HydrophobicContact CG-CG1 3.79Å; L171-E205 HydrophobicContact CB-CB 4.21Å; L171-E205 WeakPolarHBondContact CB-OE2 3.4Å; L171-E205 HydrophobicContact CD1-CB 4Å; L171-E205 PolarHBondContact N-OE2 3.19Å; L171-F206 HydrophobicContact CD1-CB 3.87Å; L171-F206 HydrophobicContact CD1-CD2 4.27Å; L171-L209 HydrophobicContact CB-CD2 4.39Å; L171-L209 HydrophobicContact CD1-CD1 3.88Å; L171-L209 HydrophobicContact CD1-CD2 4.3Å; L171-L209 HydrophobicContact CD1-CG 4.15Å; L171-L209 HydrophobicContact CD2-CD1 4.32Å; L171-I217 HydrophobicContact CD2-CD1 3.66Å
172	G	90.9	Very high	90	Very high	33 Å²	33	50.1 Å²	50.1	34%	0.34	27%	0.273	S	S	.	.	H	α-helix	trans	-58.6	-49.4	171.1	0	0	0	0	0	112.2	N169 R174 A175 F176 E205	N169-G172 PolarHBondContact O-N 3.16Å; G172-R174 VanDerWaalsContact C-N 3.33Å; G172-R174 PolarHBondContact O-N 3.27Å; G172-A175 PolarHBondContact O-N 2.91Å; G172-F176 VanDerWaalsContact O-CB 3.25Å; G172-F176 WeakPolarHBondContact O-CB 3.48Å; G172-F176 PolarHBondContact O-N 2.85Å; G172-E205 PolarHBondContact N-OE2 3.36Å
173	I	91.9	Very high	89.9	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-40.4	177.8	-66.7	173.6	0	0	0	111.2	L161 L165 N169 F176 A177 L185	L161-I173 HydrophobicContact CB-CG2 4.35Å; L161-I173 HydrophobicContact CD2-CD1 4.4Å; L161-I173 HydrophobicContact CD2-CG1 4.38Å; L165-I173 HydrophobicContact CD2-CB 4.22Å; L165-I173 HydrophobicContact CD2-CD1 3.92Å; L165-I173 HydrophobicContact CD2-CG2 4.02Å; L165-I173 HydrophobicContact CG-CD1 4.47Å; N169-I173 WeakPolarHBondContact O-CG1 3.49Å; N169-I173 PolarHBondContact O-N 3.36Å; N169-I173 WeakPolarHBondContact OD1-CD1 3.33Å; I173-F176 PolarHBondContact O-N 2.69Å; I173-A177 WeakPolarHBondContact O-CB 3.45Å; I173-A177 PolarHBondContact O-N 3Å; I173-L185 HydrophobicContact CG2-CD1 4.04Å; I173-L185 HydrophobicContact CG2-CD2 4.2Å; I173-L185 HydrophobicContact CG2-CG 4.2Å
174	R	92.8	Very high	89.7	Confident	19 Å²	19	52.8 Å²	52.8	7%	0.072	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-51.7	175.6	-178.4	-168.9	172.6	-87.7	-9.4	111.5	C170 L171 G172 F176 A177 D178 L186 A189 D190	C170-R174 WeakPolarHBondContact O-CB 3.32Å; C170-R174 PolarHBondContact O-N 3.22Å; L171-R174 WeakPolarHBondContact O-CB 3.28Å; L171-R174 PolarHBondContact O-N 3.09Å; G172-R174 VanDerWaalsContact C-N 3.33Å; G172-R174 PolarHBondContact O-N 3.27Å; R174-F176 VanDerWaalsContact C-N 3.29Å; R174-F176 PolarHBondContact O-N 3.3Å; R174-A177 PolarHBondContact O-N 3.22Å; R174-D178 PolarHBondContact O-N 2.87Å; R174-L186 HydrophobicContact CG-CD1 3.67Å; R174-L186 WeakPolarHBondContact O-CD1 3.37Å; R174-A189 HydrophobicContact CB-CB 3.82Å; R174-A189 HydrophobicContact CG-CB 4.36Å; R174-D190 WeakPolarHBondContact CD-OD1 3.41Å; R174-D190 IonicContact CZ-OD1 2.65Å; R174-D190 IonicContact NE-OD1 3.47Å; R174-D190 PolarHBondContact NE-OD1 2.82Å; R174-D190 IonicContact NH2-OD1 2.88Å; R174-D190 PolarHBondContact NH2-OD1 2.98Å
175	A	89.6	Confident	89.7	Confident	23 Å²	23	48.9 Å²	48.9	19%	0.19	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-38.1	178.8	0	0	0	0	0	111.9	L171 G172 D178 T179	L171-A175 WeakPolarHBondContact O-CB 3.47Å; L171-A175 PolarHBondContact O-N 3.47Å; G172-A175 PolarHBondContact O-N 2.91Å; A175-D178 PolarHBondContact O-N 2.81Å; A175-T179 WeakPolarHBondContact O-CB 3.34Å; A175-T179 PolarHBondContact O-N 2.61Å; A175-T179 PolarHBondContact O-OG1 3.48Å
176	F	89.8	Confident	89.7	Confident	39 Å²	39	49.2 Å²	49.2	17%	0.171	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-43.8	174.9	-173.5	-112.4	0	0	0	111.9	L142 P143 L161 G172 I173 R174 D178 T179 H180	L142-F176 HydrophobicContact CB-CE1 4.04Å; L142-F176 HydrophobicContact CB-CZ 4.08Å; L142-F176 HydrophobicContact CD2-CD1 4.04Å; L142-F176 HydrophobicContact CD2-CE1 3.36Å; L142-F176 HydrophobicContact CD2-CZ 4.1Å; L142-F176 HydrophobicContact CG-CE1 4.2Å; P143-F176 HydrophobicContact CG-CE2 4.04Å; P143-F176 HydrophobicContact CG-CZ 3.98Å; L161-F176 HydrophobicContact CD1-CD1 3.98Å; L161-F176 HydrophobicContact CD1-CE1 3.95Å; G172-F176 VanDerWaalsContact O-CB 3.25Å; G172-F176 WeakPolarHBondContact O-CB 3.48Å; G172-F176 PolarHBondContact O-N 2.85Å; I173-F176 PolarHBondContact O-N 2.69Å; R174-F176 VanDerWaalsContact C-N 3.29Å; R174-F176 PolarHBondContact O-N 3.3Å; F176-D178 PolarHBondContact O-N 3.03Å; F176-T179 PolarHBondContact O-N 3.45Å; F176-H180 AromaticContact CD2-CD2 3.62Å; F176-H180 AromaticContact CD2-NE2 3.64Å; F176-H180 AromaticContact CE2-CD2 3.45Å; F176-H180 VanDerWaalsContact CE2-CD2 3.45Å; F176-H180 WeakPolarHBondContact CE2-CD2 3.17Å; F176-H180 AromaticContact CE2-NE2 3.31Å; F176-H180 VanDerWaalsContact CE2-NE2 3.31Å; F176-H180 WeakPolarHBondContact CE2-NE2 3.25Å; F176-H180 AromaticContact CZ-CD2 3.78Å; F176-H180 AromaticContact CZ-NE2 3.99Å; F176-H180 PolarHBondContact O-CD2 3.46Å; F176-H180 PolarHBondContact O-N 3.42Å; F176-H180 VanDerWaalsContact O-N 3.17Å
177	A	91.3	Very high	89.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-39.3	177.3	0	0	0	0	0	112.6	I173 R174 S181 C182 L185 L186	I173-A177 WeakPolarHBondContact O-CB 3.45Å; I173-A177 PolarHBondContact O-N 3Å; R174-A177 PolarHBondContact O-N 3.22Å; A177-S181 PolarHBondContact O-N 2.89Å; A177-S181 VanDerWaalsContact O-N 3.09Å; A177-C182 HydrophobicContact CB-CB 4.22Å; A177-C182 PolarHBondContact O-N 2.89Å; A177-L185 HydrophobicContact CB-CB 4.01Å; A177-L185 HydrophobicContact CB-CD2 3.85Å; A177-L185 HydrophobicContact CB-CG 3.79Å; A177-L186 HydrophobicContact CB-CB 3.89Å
178	D	89.3	Confident	89.4	Confident	90 Å²	90	51.8 Å²	51.8	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-48.6	176	-169.6	37.7	0	0	0	111.4	R174 A175 F176 H180 S181 L186	R174-D178 PolarHBondContact O-N 2.87Å; A175-D178 PolarHBondContact O-N 2.81Å; F176-D178 PolarHBondContact O-N 3.03Å; D178-H180 PolarHBondContact O-N 3.41Å; D178-S181 PolarHBondContact O-N 3.43Å; D178-L186 HydrophobicContact CB-CD1 4.03Å; D178-L186 HydrophobicContact CB-CD2 4.23Å
179	T	88.3	Confident	89.5	Confident	103 Å²	103	48.5 Å²	48.5	63%	0.632	25%	0.25	S	S	*	.	H	α-helix	trans	-56.3	-38.1	178.8	-56.7	0	0	0	0	112.4	A175 F176	A175-T179 WeakPolarHBondContact O-CB 3.34Å; A175-T179 PolarHBondContact O-N 2.61Å; A175-T179 PolarHBondContact O-OG1 3.48Å; F176-T179 PolarHBondContact O-N 3.45Å
180	H	86.3	Confident	89.4	Confident	48 Å²	48	48.3 Å²	48.3	22%	0.222	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	13.3	-179.3	-59.6	-55.9	0	0	0	113.9	P143 F176 D178 C182	P143-H180 VanDerWaalsContact CB-CE1 3.5Å; P143-H180 WeakPolarHBondContact CB-CE1 3.42Å; P143-H180 VanDerWaalsContact CG-CE1 3.49Å; P143-H180 WeakPolarHBondContact CG-CE1 3.45Å; P143-H180 WeakPolarHBondContact CG-NE2 3.38Å; F176-H180 AromaticContact CD2-CD2 3.62Å; F176-H180 AromaticContact CD2-NE2 3.64Å; F176-H180 AromaticContact CE2-CD2 3.45Å; F176-H180 VanDerWaalsContact CE2-CD2 3.45Å; F176-H180 WeakPolarHBondContact CE2-CD2 3.17Å; F176-H180 AromaticContact CE2-NE2 3.31Å; F176-H180 VanDerWaalsContact CE2-NE2 3.31Å; F176-H180 WeakPolarHBondContact CE2-NE2 3.25Å; F176-H180 AromaticContact CZ-CD2 3.78Å; F176-H180 AromaticContact CZ-NE2 3.99Å; F176-H180 PolarHBondContact O-CD2 3.46Å; F176-H180 PolarHBondContact O-N 3.42Å; F176-H180 VanDerWaalsContact O-N 3.17Å; D178-H180 PolarHBondContact O-N 3.41Å; H180-C182 PolarHBondContact O-N 3.34Å; H180-C182 VanDerWaalsContact O-N 3.1Å
181	S	85.5	Confident	89.1	Confident	98 Å²	98	53.2 Å²	53.2	69%	0.685	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	28.3	178.5	-63.9	0	0	0	0	114.3	A177 D178 R183	A177-S181 PolarHBondContact O-N 2.89Å; A177-S181 VanDerWaalsContact O-N 3.09Å; D178-S181 PolarHBondContact O-N 3.43Å; S181-R183 VanDerWaalsContact C-N 3.27Å; S181-R183 PolarHBondContact O-N 3.45Å
182	C	87.7	Confident	88.9	Confident	14 Å²	14	55.4 Å²	55.4	10%	0.095	28%	0.28	C	S	.	.			trans	-78.9	74.5	177.3	-67.7	0	0	0	0	109.9	A177 H180 E184 L185 L186	A177-C182 HydrophobicContact CB-CB 4.22Å; A177-C182 PolarHBondContact O-N 2.89Å; H180-C182 PolarHBondContact O-N 3.34Å; H180-C182 VanDerWaalsContact O-N 3.1Å; C182-E184 VanDerWaalsContact C-N 3.3Å; C182-E184 PolarHBondContact O-N 3.14Å; C182-L185 HydrophobicContact CB-CB 4.12Å; C182-L185 PolarHBondContact O-N 3.42Å; C182-L185 VanDerWaalsContact O-N 3.15Å; C182-L186 WeakPolarHBondContact O-CB 3.16Å; C182-L186 PolarHBondContact O-N 3.23Å
183	R	87.6	Confident	88.8	Confident	217 Å²	217	53.9 Å²	53.9	82%	0.819	26%	0.264	S	S	*	.	H	α-helix	trans	-53.4	-41.2	-170.2	-65.5	-176.2	178.9	-178.9	1.6	114.5	S181 R187	S181-R183 VanDerWaalsContact C-N 3.27Å; S181-R183 PolarHBondContact O-N 3.45Å; R183-R187 WeakPolarHBondContact O-CB 3.48Å; R183-R187 PolarHBondContact O-N 3.31Å
184	E	85.2	Confident	88.6	Confident	89 Å²	89	54.4 Å²	54.4	42%	0.416	27%	0.266	S	S	.	.	H	α-helix	trans	-73.3	-39.3	-177.6	-177.6	58.7	-170.4	0	0	112.1	C182 R187 I188	C182-E184 VanDerWaalsContact C-N 3.3Å; C182-E184 PolarHBondContact O-N 3.14Å; E184-R187 PolarHBondContact O-N 3Å; E184-R187 IonicContact OE1-CZ 2.69Å; E184-R187 IonicContact OE1-NE 3.74Å; E184-R187 IonicContact OE1-NH2 2.63Å; E184-R187 PolarHBondContact OE1-NH2 2.92Å; E184-R187 IonicContact OE2-CZ 2.95Å; E184-R187 IonicContact OE2-NE 2.95Å; E184-R187 PolarHBondContact OE2-NE 3.44Å; E184-R187 IonicContact OE2-NH2 2.75Å; E184-R187 PolarHBondContact OE2-NH2 3.29Å; E184-I188 HydrophobicContact CG-CD1 4.1Å; E184-I188 WeakPolarHBondContact O-CD1 3.48Å; E184-I188 VanDerWaalsContact O-CG1 3.28Å; E184-I188 WeakPolarHBondContact O-CG1 3.41Å; E184-I188 PolarHBondContact O-N 3.26Å; E184-I188 VanDerWaalsContact O-N 3.09Å
185	L	90.6	Very high	88	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-43.7	174	179.7	63.6	0	0	0	110.7	C158 L161 K162 I173 A177 C182 R187 I188 A189	C158-L185 HydrophobicContact CB-CB 4.47Å; L161-L185 HydrophobicContact CB-CD1 4.04Å; L161-L185 HydrophobicContact CB-CD2 4.1Å; L161-L185 HydrophobicContact CD1-CD2 3.63Å; K162-L185 HydrophobicContact CG-CD1 3.82Å; I173-L185 HydrophobicContact CG2-CD1 4.04Å; I173-L185 HydrophobicContact CG2-CD2 4.2Å; I173-L185 HydrophobicContact CG2-CG 4.2Å; A177-L185 HydrophobicContact CB-CB 4.01Å; A177-L185 HydrophobicContact CB-CD2 3.85Å; A177-L185 HydrophobicContact CB-CG 3.79Å; C182-L185 HydrophobicContact CB-CB 4.12Å; C182-L185 PolarHBondContact O-N 3.42Å; C182-L185 VanDerWaalsContact O-N 3.15Å; L185-R187 PolarHBondContact O-N 2.9Å; L185-I188 PolarHBondContact O-N 3.41Å; L185-A189 WeakPolarHBondContact O-CB 3.49Å; L185-A189 PolarHBondContact O-N 3.33Å
186	L	90.7	Very high	87.8	Confident	32 Å²	32	58.8 Å²	58.8	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-50	175.9	178.7	61.7	0	0	0	111	R174 A177 D178 C182 I188 A189 D190	R174-L186 HydrophobicContact CG-CD1 3.67Å; R174-L186 WeakPolarHBondContact O-CD1 3.37Å; A177-L186 HydrophobicContact CB-CB 3.89Å; D178-L186 HydrophobicContact CB-CD1 4.03Å; D178-L186 HydrophobicContact CB-CD2 4.23Å; C182-L186 WeakPolarHBondContact O-CB 3.16Å; C182-L186 PolarHBondContact O-N 3.23Å; L186-I188 VanDerWaalsContact C-N 3.28Å; L186-I188 PolarHBondContact O-N 3.33Å; L186-A189 PolarHBondContact O-N 3.49Å; L186-D190 WeakPolarHBondContact O-CB 3.45Å; L186-D190 PolarHBondContact O-N 3.41Å
187	R	87.4	Confident	87.8	Confident	103 Å²	103	56.9 Å²	56.9	39%	0.389	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-37.2	178.6	-170.2	-171.3	69.7	72.9	-7.2	112.8	R183 E184 L185 K191	R183-R187 WeakPolarHBondContact O-CB 3.48Å; R183-R187 PolarHBondContact O-N 3.31Å; E184-R187 PolarHBondContact O-N 3Å; E184-R187 IonicContact OE1-CZ 2.69Å; E184-R187 IonicContact OE1-NE 3.74Å; E184-R187 IonicContact OE1-NH2 2.63Å; E184-R187 PolarHBondContact OE1-NH2 2.92Å; E184-R187 IonicContact OE2-CZ 2.95Å; E184-R187 IonicContact OE2-NE 2.95Å; E184-R187 PolarHBondContact OE2-NE 3.44Å; E184-R187 IonicContact OE2-NH2 2.75Å; E184-R187 PolarHBondContact OE2-NH2 3.29Å; L185-R187 PolarHBondContact O-N 2.9Å; R187-K191 WeakPolarHBondContact O-CG 3.47Å; R187-K191 PolarHBondContact O-N 3.1Å
188	I	87	Confident	87.5	Confident	43 Å²	43	59.4 Å²	59.4	22%	0.221	29%	0.288	C	S	.	.	H	α-helix	trans	-73.6	-45	178.4	-69.8	166.1	0	0	0	110.3	K162 L165 E184 L185 L186 K191 F192	K162-I188 HydrophobicContact CD-CD1 3.64Å; K162-I188 VanDerWaalsContact CE-CD1 3.46Å; K162-I188 HydrophobicContact CG-CD1 4.08Å; K162-I188 HydrophobicContact CG-CG2 4.45Å; L165-I188 HydrophobicContact CD1-CG2 3.7Å; E184-I188 HydrophobicContact CG-CD1 4.1Å; E184-I188 WeakPolarHBondContact O-CD1 3.48Å; E184-I188 VanDerWaalsContact O-CG1 3.28Å; E184-I188 WeakPolarHBondContact O-CG1 3.41Å; E184-I188 PolarHBondContact O-N 3.26Å; E184-I188 VanDerWaalsContact O-N 3.09Å; L185-I188 PolarHBondContact O-N 3.41Å; L186-I188 VanDerWaalsContact C-N 3.28Å; L186-I188 PolarHBondContact O-N 3.33Å; I188-K191 PolarHBondContact O-N 2.79Å; I188-F192 WeakPolarHBondContact O-CB 3.45Å; I188-F192 PolarHBondContact O-N 3.16Å
189	A	91.8	Very high	87.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-44.1	176.5	0	0	0	0	0	111.3	L165 R174 L185 L186 K191 F192 T193	L165-A189 HydrophobicContact CD2-CB 4.3Å; R174-A189 HydrophobicContact CB-CB 3.82Å; R174-A189 HydrophobicContact CG-CB 4.36Å; L185-A189 WeakPolarHBondContact O-CB 3.49Å; L185-A189 PolarHBondContact O-N 3.33Å; L186-A189 PolarHBondContact O-N 3.49Å; A189-K191 PolarHBondContact O-N 3.13Å; A189-F192 WeakPolarHBondContact O-CB 3.42Å; A189-F192 PolarHBondContact O-N 2.94Å; A189-F192 VanDerWaalsContact O-N 3.16Å; A189-T193 WeakPolarHBondContact O-CB 3.38Å; A189-T193 PolarHBondContact O-N 2.8Å; A189-T193 PolarHBondContact O-OG1 3.24Å; A189-T193 VanDerWaalsContact O-OG1 3.07Å
190	D	89.1	Confident	87.5	Confident	43 Å²	43	55.7 Å²	55.7	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-54.2	-50.8	173.9	-86	-34.7	0	0	0	111.9	R174 L186 F192 T193 Q194	R174-D190 WeakPolarHBondContact CD-OD1 3.41Å; R174-D190 IonicContact CZ-OD1 2.65Å; R174-D190 IonicContact NE-OD1 3.47Å; R174-D190 PolarHBondContact NE-OD1 2.82Å; R174-D190 IonicContact NH2-OD1 2.88Å; R174-D190 PolarHBondContact NH2-OD1 2.98Å; L186-D190 WeakPolarHBondContact O-CB 3.45Å; L186-D190 PolarHBondContact O-N 3.41Å; D190-F192 VanDerWaalsContact C-N 3.3Å; D190-F192 PolarHBondContact O-N 2.65Å; D190-T193 PolarHBondContact O-N 3.15Å; D190-Q194 WeakPolarHBondContact O-CB 3.42Å; D190-Q194 WeakPolarHBondContact O-CG 3.48Å; D190-Q194 PolarHBondContact O-N 3.01Å
191	K	85.8	Confident	87.7	Confident	103 Å²	103	54.7 Å²	54.7	45%	0.448	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-38.4	178.9	-77.7	-176.1	174.1	-173	0	112	R187 I188 A189 H195	R187-K191 WeakPolarHBondContact O-CG 3.47Å; R187-K191 PolarHBondContact O-N 3.1Å; I188-K191 PolarHBondContact O-N 2.79Å; A189-K191 PolarHBondContact O-N 3.13Å; K191-H195 WeakPolarHBondContact O-CB 3.16Å; K191-H195 PolarHBondContact O-N 3.02Å
192	F	87.8	Confident	87.8	Confident	51 Å²	51	57.9 Å²	57.9	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-47.7	177.4	-172.9	-84.2	0	0	0	111.3	L165 P167 C170 I188 A189 D190 Q194 H195 N196	L165-F192 HydrophobicContact CB-CD2 4.27Å; L165-F192 HydrophobicContact CB-CE2 4.24Å; L165-F192 HydrophobicContact CB-CG 4.44Å; L165-F192 HydrophobicContact CB-CZ 4.4Å; P167-F192 HydrophobicContact CG-CE1 4.27Å; P167-F192 HydrophobicContact CG-CZ 4.4Å; C170-F192 HydrophobicContact CB-CD1 3.7Å; C170-F192 HydrophobicContact CB-CE1 4.05Å; I188-F192 WeakPolarHBondContact O-CB 3.45Å; I188-F192 PolarHBondContact O-N 3.16Å; A189-F192 WeakPolarHBondContact O-CB 3.42Å; A189-F192 PolarHBondContact O-N 2.94Å; A189-F192 VanDerWaalsContact O-N 3.16Å; D190-F192 VanDerWaalsContact C-N 3.3Å; D190-F192 PolarHBondContact O-N 2.65Å; F192-Q194 VanDerWaalsContact C-N 3.32Å; F192-Q194 PolarHBondContact O-N 3.27Å; F192-H195 PolarHBondContact O-N 3.38Å; F192-N196 HydrophobicContact CE1-CB 4.4Å; F192-N196 WeakPolarHBondContact CE1-ND2 3.48Å; F192-N196 VanDerWaalsContact CE2-ND2 3.34Å; F192-N196 WeakPolarHBondContact CE2-ND2 3.41Å; F192-N196 WeakPolarHBondContact CZ-ND2 3.45Å; F192-N196 PolarHBondContact O-N 2.82Å; F192-N196 PolarHBondContact O-ND2 3.07Å
193	T	90.3	Very high	87.9	Confident	2 Å²	2	58 Å²	58	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-44.2	175	-61.7	0	0	0	0	111.2	C170 L171 A189 D190 H195 F197 V200 I217	C170-T193 PolarHBondContact SG-OG1 3.37Å; C170-T193 VanDerWaalsContact SG-OG1 3.41Å; L171-T193 HydrophobicContact CD2-CG2 3.65Å; A189-T193 WeakPolarHBondContact O-CB 3.38Å; A189-T193 PolarHBondContact O-N 2.8Å; A189-T193 PolarHBondContact O-OG1 3.24Å; A189-T193 VanDerWaalsContact O-OG1 3.07Å; D190-T193 PolarHBondContact O-N 3.15Å; T193-H195 VanDerWaalsContact C-N 3.33Å; T193-H195 PolarHBondContact O-N 2.91Å; T193-F197 WeakPolarHBondContact O-CA 3.34Å; T193-F197 WeakPolarHBondContact O-CB 3.48Å; T193-F197 PolarHBondContact O-N 2.91Å; T193-F197 VanDerWaalsContact O-N 3.11Å; T193-V200 HydrophobicContact CG2-CG1 4.35Å; T193-I217 HydrophobicContact CG2-CD1 4.39Å; T193-I217 HydrophobicContact CG2-CG2 4.31Å
194	Q	86.6	Confident	87.9	Confident	24 Å²	24	54.3 Å²	54.3	11%	0.112	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-37.9	177.8	-72.7	167.8	0.3	0	0	112.4	D190 F192 S220 L223 N224 I314	D190-Q194 WeakPolarHBondContact O-CB 3.42Å; D190-Q194 WeakPolarHBondContact O-CG 3.48Å; D190-Q194 PolarHBondContact O-N 3.01Å; F192-Q194 VanDerWaalsContact C-N 3.32Å; F192-Q194 PolarHBondContact O-N 3.27Å; Q194-S220 PolarHBondContact NE2-OG 2.84Å; Q194-L223 HydrophobicContact CG-CD1 4.33Å; Q194-N224 WeakPolarHBondContact O-CB 3.3Å; Q194-N224 PolarHBondContact O-N 2.95Å; Q194-I314 HydrophobicContact CB-CD1 4.35Å
195	H	81.2	Confident	88.1	Confident	101 Å²	101	53 Å²	53	47%	0.468	25%	0.247	S	C	.	.	H	α-helix	trans	-72.3	-42.9	-179.3	-171.3	63.4	0	0	0	113	K191 F192 T193 N224	K191-H195 WeakPolarHBondContact O-CB 3.16Å; K191-H195 PolarHBondContact O-N 3.02Å; F192-H195 PolarHBondContact O-N 3.38Å; T193-H195 VanDerWaalsContact C-N 3.33Å; T193-H195 PolarHBondContact O-N 2.91Å; H195-N224 WeakPolarHBondContact O-CB 3.09Å; H195-N224 PolarHBondContact O-ND2 3.27Å
196	N	84.9	Confident	88.2	Confident	33 Å²	33	53 Å²	53	18%	0.176	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	21.8	-175	-60	-56	0	0	0	112.7	P167 F192 Q198 E199 V200	P167-N196 HydrophobicContact CG-CB 4.32Å; F192-N196 HydrophobicContact CE1-CB 4.4Å; F192-N196 WeakPolarHBondContact CE1-ND2 3.48Å; F192-N196 VanDerWaalsContact CE2-ND2 3.34Å; F192-N196 WeakPolarHBondContact CE2-ND2 3.41Å; F192-N196 WeakPolarHBondContact CZ-ND2 3.45Å; F192-N196 PolarHBondContact O-N 2.82Å; F192-N196 PolarHBondContact O-ND2 3.07Å; N196-Q198 PolarHBondContact O-N 2.84Å; N196-E199 PolarHBondContact O-N 3.27Å; N196-V200 WeakPolarHBondContact O-CG2 3.31Å; N196-V200 PolarHBondContact O-N 2.97Å; N196-V200 VanDerWaalsContact O-N 3.11Å
197	F	89.3	Confident	88.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55	-30.6	-171.7	-171.5	-107.1	0	0	0	113.8	T193 E199 V200 M201 F206 I217 I218 L223 V225	T193-F197 WeakPolarHBondContact O-CA 3.34Å; T193-F197 WeakPolarHBondContact O-CB 3.48Å; T193-F197 PolarHBondContact O-N 2.91Å; T193-F197 VanDerWaalsContact O-N 3.11Å; F197-E199 VanDerWaalsContact C-N 3.33Å; F197-E199 PolarHBondContact O-N 2.93Å; F197-V200 PolarHBondContact O-N 3.23Å; F197-M201 HydrophobicContact CD1-CE 3.37Å; F197-M201 HydrophobicContact CE1-CE 3.51Å; F197-M201 HydrophobicContact CG-CE 4.37Å; F197-M201 PolarHBondContact O-N 2.85Å; F197-F206 HydrophobicContact CE2-CD2 4.49Å; F197-F206 AromaticContact CE2-CE2 3.75Å; F197-F206 HydrophobicContact CE2-CE2 3.75Å; F197-F206 HydrophobicContact CE2-CZ 4.45Å; F197-F206 AromaticContact CZ-CE2 3.96Å; F197-F206 HydrophobicContact CZ-CE2 3.96Å; F197-F206 HydrophobicContact CZ-CZ 4.2Å; F197-I217 HydrophobicContact CD2-CG2 3.97Å; F197-I217 HydrophobicContact CE2-CG2 3.58Å; F197-I218 HydrophobicContact CZ-CG2 4.37Å; F197-L223 HydrophobicContact CB-CD1 4.06Å; F197-L223 HydrophobicContact CB-CG 4.27Å; F197-L223 HydrophobicContact CD1-CD1 4.2Å; F197-L223 HydrophobicContact CD1-CD2 3.76Å; F197-L223 HydrophobicContact CD1-CG 3.94Å; F197-L223 HydrophobicContact CD2-CD1 3.6Å; F197-L223 HydrophobicContact CD2-CD2 4.4Å; F197-L223 HydrophobicContact CD2-CG 4.26Å; F197-L223 HydrophobicContact CE1-CD2 3.65Å; F197-L223 HydrophobicContact CE1-CG 4.32Å; F197-L223 HydrophobicContact CE2-CD1 4.03Å; F197-L223 HydrophobicContact CE2-CD2 4.3Å; F197-L223 HydrophobicContact CG-CD1 3.67Å; F197-L223 HydrophobicContact CG-CD2 4.13Å; F197-L223 HydrophobicContact CG-CG 3.89Å; F197-L223 HydrophobicContact CZ-CD1 4.5Å; F197-L223 HydrophobicContact CZ-CD2 3.93Å; F197-V225 HydrophobicContact CD1-CG1 3.47Å; F197-V225 VanDerWaalsContact CD1-CG1 3.47Å; F197-V225 HydrophobicContact CE1-CG1 4.02Å; F197-V225 HydrophobicContact CG-CG1 4.46Å
198	Q	85.5	Confident	88.4	Confident	52 Å²	52	53 Å²	53	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-38.9	175.8	-72.7	175.1	47.9	0	0	113.3	N196 M201	N196-Q198 PolarHBondContact O-N 2.84Å; Q198-M201 VanDerWaalsContact O-CG 3.29Å; Q198-M201 WeakPolarHBondContact O-CG 3.41Å
199	E	86.4	Confident	88.6	Confident	115 Å²	115	51.3 Å²	51.3	54%	0.537	25%	0.245	S	C	.	.	H	α-helix	trans	-83.6	-36.2	177.3	-66.9	174	-127.6	0	0	110.4	P167 N196 F197 M201 E202	P167-E199 HydrophobicContact CB-CB 3.74Å; P167-E199 HydrophobicContact CG-CB 4.18Å; N196-E199 PolarHBondContact O-N 3.27Å; F197-E199 VanDerWaalsContact C-N 3.33Å; F197-E199 PolarHBondContact O-N 2.93Å; E199-M201 VanDerWaalsContact C-N 3.34Å; E199-M201 PolarHBondContact O-N 2.96Å; E199-E202 PolarHBondContact O-N 3.03Å
200	V	91.6	Very high	88.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-39.7	179.5	177.9	0	0	0	0	111.8	P167 C170 L171 T193 N196 F197 E202 S203 F206	P167-V200 HydrophobicContact CB-CG2 4.3Å; C170-V200 VanDerWaalsContact SG-CG2 3.54Å; L171-V200 HydrophobicContact CD1-CG1 3.6Å; L171-V200 HydrophobicContact CD2-CG1 4.01Å; L171-V200 HydrophobicContact CG-CG1 3.79Å; T193-V200 HydrophobicContact CG2-CG1 4.35Å; N196-V200 WeakPolarHBondContact O-CG2 3.31Å; N196-V200 PolarHBondContact O-N 2.97Å; N196-V200 VanDerWaalsContact O-N 3.11Å; F197-V200 PolarHBondContact O-N 3.23Å; V200-E202 PolarHBondContact O-N 3.45Å; V200-E202 VanDerWaalsContact O-N 3.16Å; V200-S203 VanDerWaalsContact O-CB 3.31Å; V200-S203 WeakPolarHBondContact O-CB 3.43Å; V200-S203 PolarHBondContact O-N 2.9Å; V200-S203 PolarHBondContact O-OG 3.08Å; V200-F206 HydrophobicContact CG1-CD2 4.33Å; V200-F206 VanDerWaalsContact O-CB 3.23Å; V200-F206 WeakPolarHBondContact O-CB 3.24Å
201	M	89.4	Confident	88.8	Confident	27 Å²	27	53.2 Å²	53.2	13%	0.133	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.9	-179.2	69	176.1	73.2	0	0	113.9	F197 Q198 E199 Q230 A234	F197-M201 HydrophobicContact CD1-CE 3.37Å; F197-M201 HydrophobicContact CE1-CE 3.51Å; F197-M201 HydrophobicContact CG-CE 4.37Å; F197-M201 PolarHBondContact O-N 2.85Å; Q198-M201 VanDerWaalsContact O-CG 3.29Å; Q198-M201 WeakPolarHBondContact O-CG 3.41Å; E199-M201 VanDerWaalsContact C-N 3.34Å; E199-M201 PolarHBondContact O-N 2.96Å; M201-Q230 HydrophobicContact CE-CB 4.17Å; M201-A234 HydrophobicContact CB-CB 4Å; M201-A234 HydrophobicContact SD-CB 4.27Å
202	E	87.6	Confident	89.1	Confident	166 Å²	166	53.1 Å²	53.1	78%	0.776	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.1	176.6	-60.3	-175.7	171.8	0	0	112.4	E199 V200	E199-E202 PolarHBondContact O-N 3.03Å; V200-E202 PolarHBondContact O-N 3.45Å; V200-E202 VanDerWaalsContact O-N 3.16Å
203	S	90.5	Very high	89.2	Confident	16 Å²	16	52.4 Å²	52.4	11%	0.112	26%	0.263	C	S	.	.	S	Bend	trans	-72.7	152.4	-178.4	74.5	0	0	0	0	113.1	V200 E205 F206	V200-S203 VanDerWaalsContact O-CB 3.31Å; V200-S203 WeakPolarHBondContact O-CB 3.43Å; V200-S203 PolarHBondContact O-N 2.9Å; V200-S203 PolarHBondContact O-OG 3.08Å; S203-E205 VanDerWaalsContact C-N 3.33Å; S203-F206 PolarHBondContact O-N 2.85Å; S203-F206 PolarHBondContact OG-N 2.79Å
204	E	87.9	Confident	89.3	Confident	139 Å²	139	52.3 Å²	52.3	65%	0.65	26%	0.263	S	S	*	.	H	α-helix	trans	-65.9	-36.5	173.4	-172.8	174	-167.8	0	0	111.9	F206 M207 L208	E204-F206 PolarHBondContact O-N 2.89Å; E204-M207 PolarHBondContact O-N 3.08Å; E204-L208 HydrophobicContact CG-CD1 4.16Å; E204-L208 PolarHBondContact O-N 3.36Å
205	E	89.9	Confident	89.7	Confident	62 Å²	62	52.6 Å²	52.6	29%	0.29	26%	0.264	S	S	.	.	H	α-helix	trans	-55.8	-39.2	176.5	-69.2	-162.7	159.7	0	0	111.7	S168 N169 L171 G172 S203 M207 L208 L209	S168-E205 WeakPolarHBondContact O-CG 3.5Å; N169-E205 WeakPolarHBondContact CA-OE2 3.42Å; L171-E205 HydrophobicContact CB-CB 4.21Å; L171-E205 WeakPolarHBondContact CB-OE2 3.4Å; L171-E205 HydrophobicContact CD1-CB 4Å; L171-E205 PolarHBondContact N-OE2 3.19Å; G172-E205 PolarHBondContact N-OE2 3.36Å; S203-E205 VanDerWaalsContact C-N 3.33Å; E205-M207 PolarHBondContact O-N 2.82Å; E205-L208 PolarHBondContact O-N 3.4Å; E205-L209 PolarHBondContact O-N 2.82Å
206	F	92.8	Very high	90.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-41.7	177.3	-176.5	-93.8	0	0	0	112.2	L171 F197 V200 S203 E204 L208 L209 L214 A234 W238	L171-F206 HydrophobicContact CD1-CB 3.87Å; L171-F206 HydrophobicContact CD1-CD2 4.27Å; F197-F206 HydrophobicContact CE2-CD2 4.49Å; F197-F206 AromaticContact CE2-CE2 3.75Å; F197-F206 HydrophobicContact CE2-CE2 3.75Å; F197-F206 HydrophobicContact CE2-CZ 4.45Å; F197-F206 AromaticContact CZ-CE2 3.96Å; F197-F206 HydrophobicContact CZ-CE2 3.96Å; F197-F206 HydrophobicContact CZ-CZ 4.2Å; V200-F206 HydrophobicContact CG1-CD2 4.33Å; V200-F206 VanDerWaalsContact O-CB 3.23Å; V200-F206 WeakPolarHBondContact O-CB 3.24Å; S203-F206 PolarHBondContact O-N 2.85Å; S203-F206 PolarHBondContact OG-N 2.79Å; E204-F206 PolarHBondContact O-N 2.89Å; F206-L208 PolarHBondContact O-N 2.68Å; F206-L209 HydrophobicContact CD2-CD1 3.82Å; F206-L209 HydrophobicContact CE2-CD1 4.25Å; F206-L209 HydrophobicContact CG-CD1 4.43Å; F206-L209 WeakPolarHBondContact O-CB 3.34Å; F206-L209 PolarHBondContact O-N 2.83Å; F206-L214 HydrophobicContact CE1-CD1 4.4Å; F206-L214 HydrophobicContact CE2-CD1 3.63Å; F206-L214 HydrophobicContact CZ-CD1 3.48Å; F206-L214 VanDerWaalsContact CZ-CD1 3.48Å; F206-A234 HydrophobicContact CE1-CB 4Å; F206-A234 HydrophobicContact CZ-CB 3.99Å; F206-W238 HydrophobicContact CE1-CB 4.36Å
207	M	90.8	Very high	90.4	Very high	36 Å²	36	50.8 Å²	50.8	18%	0.177	26%	0.258	C	S	.	.	H	α-helix	trans	-67.3	-25.6	178.9	-61.6	-60.7	171.5	0	0	112.5	E204 E205 A237 Y241 R246	E204-M207 PolarHBondContact O-N 3.08Å; E205-M207 PolarHBondContact O-N 2.82Å; M207-A237 HydrophobicContact CE-CB 3.83Å; M207-A237 HydrophobicContact SD-CB 4.31Å; M207-Y241 HydrophobicContact CB-CD1 4.38Å; M207-Y241 HydrophobicContact CB-CD2 3.94Å; M207-Y241 HydrophobicContact CB-CE2 4.12Å; M207-Y241 HydrophobicContact CB-CG 4.08Å; M207-Y241 HydrophobicContact CG-CD2 4.32Å; M207-R246 VanDerWaalsContact O-CZ 3.24Å; M207-R246 PolarHBondContact O-NH1 3.15Å; M207-R246 PolarHBondContact O-NH2 2.98Å
208	L	91	Very high	90.6	Very high	99 Å²	99	50.8 Å²	50.8	52%	0.518	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.7	179.3	-64.2	174.3	0	0	0	113.8	E204 E205 F206 Y241	E204-L208 HydrophobicContact CG-CD1 4.16Å; E204-L208 PolarHBondContact O-N 3.36Å; E205-L208 PolarHBondContact O-N 3.4Å; F206-L208 PolarHBondContact O-N 2.68Å; L208-Y241 HydrophobicContact CD2-CE1 3.94Å
209	L	91.6	Very high	90.8	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.047	26%	0.263	C	S	.	.			trans	-59.5	139.6	-177.4	-76.8	175.8	0	0	0	113.3	L171 E205 F206 Q213 I217 W238	L171-L209 HydrophobicContact CB-CD2 4.39Å; L171-L209 HydrophobicContact CD1-CD1 3.88Å; L171-L209 HydrophobicContact CD1-CD2 4.3Å; L171-L209 HydrophobicContact CD1-CG 4.15Å; L171-L209 HydrophobicContact CD2-CD1 4.32Å; E205-L209 PolarHBondContact O-N 2.82Å; F206-L209 HydrophobicContact CD2-CD1 3.82Å; F206-L209 HydrophobicContact CE2-CD1 4.25Å; F206-L209 HydrophobicContact CG-CD1 4.43Å; F206-L209 WeakPolarHBondContact O-CB 3.34Å; F206-L209 PolarHBondContact O-N 2.83Å; L209-Q213 HydrophobicContact CD2-CB 4.24Å; L209-I217 HydrophobicContact CD1-CD1 3.8Å; L209-W238 WeakPolarHBondContact O-CZ2 3.31Å; L209-W238 PolarHBondContact O-NE1 2.93Å
210	P	92	Very high	90.9	Very high	66 Å²	66	46.2 Å²	46.2	43%	0.429	25%	0.245	S	C	.	.			trans	-65.3	151.9	163.7	-22.6	35.6	0	0	0	112.3	N212 Q213 L214	P210-N212 VanDerWaalsContact C-N 3.34Å; P210-N212 VanDerWaalsContact CB-OD1 3.23Å; P210-N212 WeakPolarHBondContact CB-OD1 3.4Å; P210-N212 PolarHBondContact O-N 3.44Å; P210-Q213 PolarHBondContact O-N 3.32Å; P210-L214 PolarHBondContact O-N 3.15Å
211	A	91.9	Very high	90.5	Very high	17 Å²	17	48.3 Å²	48.3	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-39.7	-174.6	0	0	0	0	0	114	L214 I215 W238	A211-L214 PolarHBondContact O-N 2.83Å; A211-I215 WeakPolarHBondContact O-CB 3.36Å; A211-I215 WeakPolarHBondContact O-CD1 3.35Å; A211-I215 WeakPolarHBondContact O-CG1 3.17Å; A211-I215 PolarHBondContact O-N 3.15Å; A211-W238 HydrophobicContact CB-CH2 3.86Å; A211-W238 HydrophobicContact CB-CZ2 4.26Å
212	N	91.7	Very high	90	Very high	100 Å²	100	51.1 Å²	51.1	54%	0.535	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-45.2	177.6	60.2	-32.3	0	0	0	111.9	P210 L214 I215 D216	P210-N212 VanDerWaalsContact C-N 3.34Å; P210-N212 VanDerWaalsContact CB-OD1 3.23Å; P210-N212 WeakPolarHBondContact CB-OD1 3.4Å; P210-N212 PolarHBondContact O-N 3.44Å; N212-L214 PolarHBondContact O-N 3.16Å; N212-I215 PolarHBondContact O-N 3.3Å; N212-D216 VanDerWaalsContact O-CG 3.3Å; N212-D216 PolarHBondContact O-N 2.94Å
213	Q	90.6	Very high	89.9	Confident	37 Å²	37	43.3 Å²	43.3	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-38.1	178.5	-63.8	-169.3	13.4	0	0	111.8	L209 P210 D216 I217	L209-Q213 HydrophobicContact CD2-CB 4.24Å; P210-Q213 PolarHBondContact O-N 3.32Å; Q213-D216 PolarHBondContact O-N 3.44Å; Q213-I217 WeakPolarHBondContact O-CD1 3.39Å; Q213-I217 VanDerWaalsContact O-CG1 3.31Å; Q213-I217 WeakPolarHBondContact O-CG1 3.37Å; Q213-I217 PolarHBondContact O-N 3.5Å; Q213-I217 VanDerWaalsContact O-N 3.15Å
214	L	93.1	Very high	89.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-47.5	173.5	178.6	63.5	0	0	0	110.9	F206 P210 A211 N212 D216 I217 I218 W238 V253	F206-L214 HydrophobicContact CE1-CD1 4.4Å; F206-L214 HydrophobicContact CE2-CD1 3.63Å; F206-L214 HydrophobicContact CZ-CD1 3.48Å; F206-L214 VanDerWaalsContact CZ-CD1 3.48Å; P210-L214 PolarHBondContact O-N 3.15Å; A211-L214 PolarHBondContact O-N 2.83Å; N212-L214 PolarHBondContact O-N 3.16Å; L214-D216 VanDerWaalsContact C-N 3.33Å; L214-D216 PolarHBondContact O-N 3.39Å; L214-I217 PolarHBondContact O-N 3.19Å; L214-I217 VanDerWaalsContact O-N 3.15Å; L214-I218 HydrophobicContact CD1-CG2 3.89Å; L214-I218 HydrophobicContact CG-CG2 4.43Å; L214-I218 WeakPolarHBondContact O-CG1 3.49Å; L214-I218 PolarHBondContact O-N 3.01Å; L214-W238 HydrophobicContact CD2-CB 4.3Å; L214-W238 HydrophobicContact CD2-CD2 3.41Å; L214-W238 VanDerWaalsContact CD2-CD2 3.41Å; L214-W238 HydrophobicContact CD2-CE3 3.6Å; L214-W238 HydrophobicContact CD2-CG 3.72Å; L214-W238 HydrophobicContact CD2-CH2 4.46Å; L214-W238 HydrophobicContact CD2-CZ2 4.28Å; L214-W238 HydrophobicContact CD2-CZ3 4.14Å; L214-V253 HydrophobicContact CD2-CG1 3.77Å; L214-V253 HydrophobicContact CG-CG1 4.33Å
215	I	93.6	Very high	88.9	Confident	29 Å²	29	38.4 Å²	38.4	15%	0.149	21%	0.21	C	C	.	.	H	α-helix	trans	-57.1	-45.5	177.1	-73.7	166.2	0	0	0	111	A211 N212 I217 I218 S219 V253 H256	A211-I215 WeakPolarHBondContact O-CB 3.36Å; A211-I215 WeakPolarHBondContact O-CD1 3.35Å; A211-I215 WeakPolarHBondContact O-CG1 3.17Å; A211-I215 PolarHBondContact O-N 3.15Å; N212-I215 PolarHBondContact O-N 3.3Å; I215-I217 VanDerWaalsContact C-N 3.27Å; I215-I217 PolarHBondContact O-N 3.29Å; I215-I218 PolarHBondContact O-N 3.15Å; I215-S219 WeakPolarHBondContact O-CB 3.45Å; I215-S219 PolarHBondContact O-N 2.78Å; I215-S219 PolarHBondContact O-OG 3.39Å; I215-V253 HydrophobicContact CD1-CG2 4.15Å; I215-V253 HydrophobicContact CG1-CG2 4.08Å; I215-H256 WeakPolarHBondContact CG2-NE2 3.46Å
216	D	90.4	Very high	88.1	Confident	90 Å²	90	43.3 Å²	43.3	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-58.7	-39.4	177.6	-70.6	-17.2	0	0	0	112	N212 Q213 L214 S219	N212-D216 VanDerWaalsContact O-CG 3.3Å; N212-D216 PolarHBondContact O-N 2.94Å; Q213-D216 PolarHBondContact O-N 3.44Å; L214-D216 VanDerWaalsContact C-N 3.33Å; L214-D216 PolarHBondContact O-N 3.39Å; D216-S219 PolarHBondContact O-OG 3.29Å
217	I	91	Very high	87.6	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-71.3	-53.3	178.6	-63.9	162.9	0	0	0	110.8	L171 T193 F197 L209 Q213 L214 I215 S219 S220 L223	L171-I217 HydrophobicContact CD2-CD1 3.66Å; T193-I217 HydrophobicContact CG2-CD1 4.39Å; T193-I217 HydrophobicContact CG2-CG2 4.31Å; F197-I217 HydrophobicContact CD2-CG2 3.97Å; F197-I217 HydrophobicContact CE2-CG2 3.58Å; L209-I217 HydrophobicContact CD1-CD1 3.8Å; Q213-I217 WeakPolarHBondContact O-CD1 3.39Å; Q213-I217 VanDerWaalsContact O-CG1 3.31Å; Q213-I217 WeakPolarHBondContact O-CG1 3.37Å; Q213-I217 PolarHBondContact O-N 3.5Å; Q213-I217 VanDerWaalsContact O-N 3.15Å; L214-I217 PolarHBondContact O-N 3.19Å; L214-I217 VanDerWaalsContact O-N 3.15Å; I215-I217 VanDerWaalsContact C-N 3.27Å; I215-I217 PolarHBondContact O-N 3.29Å; I217-S219 VanDerWaalsContact C-N 3.32Å; I217-S219 PolarHBondContact O-N 2.9Å; I217-S220 WeakPolarHBondContact O-CB 3.3Å; I217-S220 PolarHBondContact O-N 3.43Å; I217-L223 HydrophobicContact CG2-CD1 3.85Å
218	I	92.6	Very high	87.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-75.8	-17.6	-174.1	69.1	175.4	0	0	0	113.5	F197 L214 I215 S220 V231 V235 V253 H256 R311	F197-I218 HydrophobicContact CZ-CG2 4.37Å; L214-I218 HydrophobicContact CD1-CG2 3.89Å; L214-I218 HydrophobicContact CG-CG2 4.43Å; L214-I218 WeakPolarHBondContact O-CG1 3.49Å; L214-I218 PolarHBondContact O-N 3.01Å; I215-I218 PolarHBondContact O-N 3.15Å; I218-S220 VanDerWaalsContact C-N 3.28Å; I218-V231 HydrophobicContact CB-CG1 4.24Å; I218-V231 HydrophobicContact CG2-CG1 4.18Å; I218-V235 HydrophobicContact CD1-CG2 3.81Å; I218-V235 HydrophobicContact CG2-CG2 4.42Å; I218-V253 HydrophobicContact CD1-CG1 3.54Å; I218-V253 WeakPolarHBondContact CD1-O 3.48Å; I218-H256 HydrophobicContact CD1-CB 3.83Å; I218-H256 HydrophobicContact CG1-CB 3.74Å; I218-R311 VanDerWaalsContact O-CZ 3.29Å; I218-R311 PolarHBondContact O-NH1 2.91Å; I218-R311 PolarHBondContact O-NH2 3.3Å
219	S	91.3	Very high	87.3	Confident	50 Å²	50	41.1 Å²	41.1	35%	0.35	22%	0.215	S	C	.	.	H	α-helix	trans	-75	-20.5	174.1	63.5	0	0	0	0	112.4	I215 D216 I217 D221	I215-S219 WeakPolarHBondContact O-CB 3.45Å; I215-S219 PolarHBondContact O-N 2.78Å; I215-S219 PolarHBondContact O-OG 3.39Å; D216-S219 PolarHBondContact O-OG 3.29Å; I217-S219 VanDerWaalsContact C-N 3.32Å; I217-S219 PolarHBondContact O-N 2.9Å; S219-D221 PolarHBondContact O-N 2.84Å
220	S	88.1	Confident	87.2	Confident	20 Å²	20	42.8 Å²	42.8	14%	0.14	22%	0.223	C	C	.	.			trans	-60.7	127.3	-176.9	-176.2	0	0	0	0	112.9	Q194 I217 I218 E222 R311	Q194-S220 PolarHBondContact NE2-OG 2.84Å; I217-S220 WeakPolarHBondContact O-CB 3.3Å; I217-S220 PolarHBondContact O-N 3.43Å; I218-S220 VanDerWaalsContact C-N 3.28Å; S220-E222 PolarHBondContact O-N 3.46Å; S220-E222 PolarHBondContact OG-N 3.18Å; S220-E222 VanDerWaalsContact OG-N 3.14Å; S220-R311 PolarHBondContact O-NH1 3.04Å
221	D	82.8	Confident	87.2	Confident	45 Å²	45	39.7 Å²	39.7	24%	0.241	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.1	169.3	-88.5	-15.7	0	0	0	112.4	S219 R258 R309 R311 K312	S219-D221 PolarHBondContact O-N 2.84Å; D221-R258 IonicContact OD1-CZ 3.74Å; D221-R258 IonicContact OD1-NH1 3.21Å; D221-R258 PolarHBondContact OD1-NH1 3.47Å; D221-R258 IonicContact OD1-NH2 3.09Å; D221-R258 PolarHBondContact OD1-NH2 2.93Å; D221-R309 IonicContact OD2-CZ 2.76Å; D221-R309 IonicContact OD2-NE 3.42Å; D221-R309 IonicContact OD2-NH1 3.45Å; D221-R309 PolarHBondContact OD2-NH1 3Å; D221-R311 CarbonylContact O-C 3.58Å; D221-K312 CarbonylContact O-C 3.58Å; D221-K312 PolarHBondContact O-N 2.9Å
222	E	78.9	Confident	87.3	Confident	86 Å²	86	39 Å²	39	40%	0.402	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.5	-171.7	-71.4	-168.9	-171.7	0	0	114	S220 N224 I314	S220-E222 PolarHBondContact O-N 3.46Å; S220-E222 PolarHBondContact OG-N 3.18Å; S220-E222 VanDerWaalsContact OG-N 3.14Å; E222-N224 PolarHBondContact O-N 3.43Å; E222-I314 HydrophobicContact CB-CD1 3.85Å; E222-I314 HydrophobicContact CB-CG1 3.52Å; E222-I314 HydrophobicContact CG-CG1 3.86Å; E222-I314 VanDerWaalsContact O-CD1 3.28Å; E222-I314 WeakPolarHBondContact O-CD1 3.44Å; E222-I314 WeakPolarHBondContact O-CG1 3.31Å
223	L	84.9	Confident	87.4	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.192	C	C	.	.			trans	-63.3	124.6	-178.6	-157	72.6	0	0	0	111.9	Q194 F197 I217 V225 V231	Q194-L223 HydrophobicContact CG-CD1 4.33Å; F197-L223 HydrophobicContact CB-CD1 4.06Å; F197-L223 HydrophobicContact CB-CG 4.27Å; F197-L223 HydrophobicContact CD1-CD1 4.2Å; F197-L223 HydrophobicContact CD1-CD2 3.76Å; F197-L223 HydrophobicContact CD1-CG 3.94Å; F197-L223 HydrophobicContact CD2-CD1 3.6Å; F197-L223 HydrophobicContact CD2-CD2 4.4Å; F197-L223 HydrophobicContact CD2-CG 4.26Å; F197-L223 HydrophobicContact CE1-CD2 3.65Å; F197-L223 HydrophobicContact CE1-CG 4.32Å; F197-L223 HydrophobicContact CE2-CD1 4.03Å; F197-L223 HydrophobicContact CE2-CD2 4.3Å; F197-L223 HydrophobicContact CG-CD1 3.67Å; F197-L223 HydrophobicContact CG-CD2 4.13Å; F197-L223 HydrophobicContact CG-CG 3.89Å; F197-L223 HydrophobicContact CZ-CD1 4.5Å; F197-L223 HydrophobicContact CZ-CD2 3.93Å; I217-L223 HydrophobicContact CG2-CD1 3.85Å; L223-V225 HydrophobicContact CD2-CG1 3.99Å; L223-V225 HydrophobicContact CG-CG1 4.17Å; L223-V225 PolarHBondContact O-N 3.11Å; L223-V231 HydrophobicContact CD2-CG2 4.04Å
224	N	80.2	Confident	87.5	Confident	36 Å²	36	36.7 Å²	36.7	19%	0.193	19%	0.186	C	C	.	.			trans	-86	89.4	-178.2	-172.6	23.4	0	0	0	111.9	Q194 H195 E222	Q194-N224 WeakPolarHBondContact O-CB 3.3Å; Q194-N224 PolarHBondContact O-N 2.95Å; H195-N224 WeakPolarHBondContact O-CB 3.09Å; H195-N224 PolarHBondContact O-ND2 3.27Å; E222-N224 PolarHBondContact O-N 3.43Å
225	V	78.6	Confident	87.6	Confident	15 Å²	15	36.7 Å²	36.7	9%	0.091	19%	0.186	C	C	.	.			trans	-126.2	148.7	179.5	-68.6	0	0	0	0	111.6	F197 L223 S227 V231	F197-V225 HydrophobicContact CD1-CG1 3.47Å; F197-V225 VanDerWaalsContact CD1-CG1 3.47Å; F197-V225 HydrophobicContact CE1-CG1 4.02Å; F197-V225 HydrophobicContact CG-CG1 4.46Å; L223-V225 HydrophobicContact CD2-CG1 3.99Å; L223-V225 HydrophobicContact CG-CG1 4.17Å; L223-V225 PolarHBondContact O-N 3.11Å; V225-S227 VanDerWaalsContact C-N 3.34Å; V225-V231 HydrophobicContact CB-CG2 4.23Å; V225-V231 HydrophobicContact CG1-CG2 3.85Å; V225-V231 HydrophobicContact CG2-CG2 3.89Å
226	R	72.6	Confident	87.6	Confident	166 Å²	166	35.6 Å²	35.6	63%	0.626	18%	0.18	S	C	*	.	S	Bend	trans	-73.1	-31.5	177.4	-56.1	-175.8	-169.5	-172.4	0.8	111.7
227	S	81.5	Confident	87.8	Confident	28 Å²	28	33.1 Å²	33.1	20%	0.196	17%	0.173	C	C	.	.			trans	-158.5	159.2	178	66.2	0	0	0	0	110.8	V225 E229 Q230	V225-S227 VanDerWaalsContact C-N 3.34Å; S227-E229 PolarHBondContact O-N 3.41Å; S227-E229 WeakPolarHBondContact OG-CB 3.49Å; S227-E229 PolarHBondContact OG-N 3.25Å; S227-Q230 PolarHBondContact O-N 3.32Å
228	E	88	Confident	88	Confident	12 Å²	12	32.9 Å²	32.9	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-17.7	170.1	-71.8	-68.1	148.4	0	0	112.6	Q230 V231 F232 R258 L261 L262 R311	E228-Q230 PolarHBondContact O-N 3.26Å; E228-V231 PolarHBondContact O-N 3.24Å; E228-F232 PolarHBondContact O-N 2.97Å; E228-R258 VanDerWaalsContact CD-CB 3.49Å; E228-R258 HydrophobicContact CG-CB 3.84Å; E228-R258 WeakPolarHBondContact OE1-CD 3.32Å; E228-R258 IonicContact OE1-NE 3.59Å; E228-R258 PolarHBondContact OE2-N 3.33Å; E228-L261 HydrophobicContact CG-CB 4.11Å; E228-L261 HydrophobicContact CG-CD1 4.49Å; E228-L262 HydrophobicContact CB-CD2 3.57Å; E228-L262 HydrophobicContact CB-CG 4.35Å; E228-R311 VanDerWaalsContact OE1-CD 3.32Å; E228-R311 WeakPolarHBondContact OE1-CD 3.45Å; E228-R311 WeakPolarHBondContact OE1-CG 3.41Å; E228-R311 IonicContact OE1-CZ 2.71Å; E228-R311 IonicContact OE1-NE 3.73Å; E228-R311 PolarHBondContact OE1-NE 2.88Å; E228-R311 IonicContact OE1-NH2 2.69Å; E228-R311 IonicContact OE2-CZ 2.89Å; E228-R311 IonicContact OE2-NE 3.54Å; E228-R311 IonicContact OE2-NH2 3.36Å; E228-R311 PolarHBondContact OE2-NH2 2.96Å
229	E	88.9	Confident	88	Confident	49 Å²	49	32.9 Å²	32.9	23%	0.229	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-34.8	174.9	-56.2	-177.6	176.6	0	0	110.8	S227 F232 N233 L262 S263 F266	S227-E229 PolarHBondContact O-N 3.41Å; S227-E229 WeakPolarHBondContact OG-CB 3.49Å; S227-E229 PolarHBondContact OG-N 3.25Å; E229-F232 PolarHBondContact O-N 3.14Å; E229-N233 WeakPolarHBondContact O-CB 3.23Å; E229-N233 PolarHBondContact O-N 3.48Å; E229-N233 PolarHBondContact O-ND2 2.84Å; E229-N233 VanDerWaalsContact O-ND2 3.15Å; E229-L262 HydrophobicContact CB-CD2 4.25Å; E229-L262 HydrophobicContact CG-CD2 3.65Å; E229-L262 VanDerWaalsContact N-CD2 3.33Å; E229-S263 WeakPolarHBondContact OE1-CB 3.42Å; E229-S263 PolarHBondContact OE1-OG 2.8Å; E229-F266 HydrophobicContact CB-CD1 4.28Å; E229-F266 HydrophobicContact CB-CD2 4.47Å; E229-F266 HydrophobicContact CB-CE1 4.07Å; E229-F266 HydrophobicContact CB-CE2 4.27Å; E229-F266 HydrophobicContact CB-CG 4.47Å; E229-F266 HydrophobicContact CB-CZ 4.06Å; E229-F266 HydrophobicContact CG-CB 4.32Å; E229-F266 HydrophobicContact CG-CD1 3.77Å; E229-F266 HydrophobicContact CG-CD2 4.21Å; E229-F266 HydrophobicContact CG-CE1 4.07Å; E229-F266 HydrophobicContact CG-CE2 4.48Å; E229-F266 HydrophobicContact CG-CG 3.84Å; E229-F266 HydrophobicContact CG-CZ 4.42Å; E229-F266 VanDerWaalsContact OE1-CB 3.31Å; E229-F266 WeakPolarHBondContact OE1-CB 3.37Å
230	Q	88.9	Confident	88.1	Confident	44 Å²	44	35.5 Å²	35.5	21%	0.206	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-43.7	174.4	-66.3	-174	-46	0	0	111.7	M201 S227 E228 F232 N233 A234	M201-Q230 HydrophobicContact CE-CB 4.17Å; S227-Q230 PolarHBondContact O-N 3.32Å; E228-Q230 PolarHBondContact O-N 3.26Å; Q230-F232 VanDerWaalsContact C-N 3.33Å; Q230-F232 PolarHBondContact O-N 2.8Å; Q230-N233 PolarHBondContact O-N 3.27Å; Q230-A234 WeakPolarHBondContact O-CB 3.28Å; Q230-A234 PolarHBondContact O-N 3.38Å
231	V	92.3	Very high	88.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-44.5	177.5	-173.7	0	0	0	0	110.1	I218 L223 V225 E228 A234 V235 V257	I218-V231 HydrophobicContact CB-CG1 4.24Å; I218-V231 HydrophobicContact CG2-CG1 4.18Å; L223-V231 HydrophobicContact CD2-CG2 4.04Å; V225-V231 HydrophobicContact CB-CG2 4.23Å; V225-V231 HydrophobicContact CG1-CG2 3.85Å; V225-V231 HydrophobicContact CG2-CG2 3.89Å; E228-V231 PolarHBondContact O-N 3.24Å; V231-A234 PolarHBondContact O-N 2.65Å; V231-V235 WeakPolarHBondContact O-CG2 3.31Å; V231-V235 PolarHBondContact O-N 3.04Å; V231-V257 HydrophobicContact CG1-CG1 4.46Å; V231-V257 HydrophobicContact CG1-CG2 4.21Å
232	F	94.3	Very high	88.7	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-49.1	175.3	179	-94.6	0	0	0	111.8	E228 E229 Q230 A234 V235 M236 L254 V257 L259 F266 V271 I277	E228-F232 PolarHBondContact O-N 2.97Å; E229-F232 PolarHBondContact O-N 3.14Å; Q230-F232 VanDerWaalsContact C-N 3.33Å; Q230-F232 PolarHBondContact O-N 2.8Å; F232-A234 VanDerWaalsContact C-N 3.33Å; F232-A234 PolarHBondContact O-N 3.3Å; F232-V235 PolarHBondContact O-N 2.89Å; F232-M236 HydrophobicContact CD1-CG 4.04Å; F232-M236 HydrophobicContact CD2-CG 4.39Å; F232-M236 HydrophobicContact CE1-CG 3.53Å; F232-M236 HydrophobicContact CE2-CG 3.9Å; F232-M236 HydrophobicContact CE2-SD 4.17Å; F232-M236 HydrophobicContact CG-CG 4.45Å; F232-M236 HydrophobicContact CZ-CG 3.45Å; F232-M236 VanDerWaalsContact CZ-CG 3.45Å; F232-M236 HydrophobicContact CZ-SD 3.94Å; F232-M236 WeakPolarHBondContact O-CG 3.36Å; F232-M236 PolarHBondContact O-N 2.87Å; F232-L254 HydrophobicContact CD2-CD1 4Å; F232-L254 HydrophobicContact CE2-CD1 3.91Å; F232-V257 HydrophobicContact CB-CG1 4.05Å; F232-L259 HydrophobicContact CD2-CD2 4.16Å; F232-F266 HydrophobicContact CB-CE1 4.33Å; F232-F266 AromaticContact CD1-CE1 3.59Å; F232-F266 HydrophobicContact CD1-CE1 3.59Å; F232-F266 AromaticContact CD1-CZ 3.74Å; F232-F266 HydrophobicContact CD1-CZ 3.74Å; F232-F266 HydrophobicContact CE1-CE1 4.19Å; F232-F266 HydrophobicContact CE1-CZ 4.3Å; F232-F266 HydrophobicContact CG-CE1 4.09Å; F232-V271 HydrophobicContact CD1-CG2 4.14Å; F232-V271 HydrophobicContact CD2-CG1 4.44Å; F232-V271 HydrophobicContact CD2-CG2 4.08Å; F232-V271 HydrophobicContact CE1-CG2 3.85Å; F232-V271 HydrophobicContact CE2-CB 4.22Å; F232-V271 HydrophobicContact CE2-CG1 3.69Å; F232-V271 HydrophobicContact CE2-CG2 3.82Å; F232-V271 HydrophobicContact CG-CG2 4.24Å; F232-V271 HydrophobicContact CZ-CB 4.06Å; F232-V271 HydrophobicContact CZ-CG1 3.94Å; F232-V271 HydrophobicContact CZ-CG2 3.69Å; F232-I277 HydrophobicContact CE2-CD1 3.64Å; F232-I277 HydrophobicContact CZ-CD1 3.63Å
233	N	92.9	Very high	89.3	Confident	82 Å²	82	39.5 Å²	39.5	44%	0.439	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-40.7	179.6	-72.5	-28.7	0	0	0	112	E229 Q230 M236 A237	E229-N233 WeakPolarHBondContact O-CB 3.23Å; E229-N233 PolarHBondContact O-N 3.48Å; E229-N233 PolarHBondContact O-ND2 2.84Å; E229-N233 VanDerWaalsContact O-ND2 3.15Å; Q230-N233 PolarHBondContact O-N 3.27Å; N233-M236 PolarHBondContact O-N 3.38Å; N233-A237 WeakPolarHBondContact O-CB 3.26Å; N233-A237 PolarHBondContact O-N 2.92Å
234	A	93.1	Very high	89.4	Confident	6 Å²	6	48.2 Å²	48.2	5%	0.05	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-46.4	176	0	0	0	0	0	111.6	M201 F206 Q230 V231 F232 M236 A237 W238	M201-A234 HydrophobicContact CB-CB 4Å; M201-A234 HydrophobicContact SD-CB 4.27Å; F206-A234 HydrophobicContact CE1-CB 4Å; F206-A234 HydrophobicContact CZ-CB 3.99Å; Q230-A234 WeakPolarHBondContact O-CB 3.28Å; Q230-A234 PolarHBondContact O-N 3.38Å; V231-A234 PolarHBondContact O-N 2.65Å; F232-A234 VanDerWaalsContact C-N 3.33Å; F232-A234 PolarHBondContact O-N 3.3Å; A234-M236 PolarHBondContact O-N 3.08Å; A234-A237 PolarHBondContact O-N 2.85Å; A234-W238 WeakPolarHBondContact O-CB 3.21Å; A234-W238 PolarHBondContact O-N 2.96Å
235	V	95	Very high	89.9	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-45.7	175.3	168.8	0	0	0	0	110.9	I218 V231 F232 A237 W238 V239 V253 V257	I218-V235 HydrophobicContact CD1-CG2 3.81Å; I218-V235 HydrophobicContact CG2-CG2 4.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.31Å; V231-V235 PolarHBondContact O-N 3.04Å; F232-V235 PolarHBondContact O-N 2.89Å; V235-A237 VanDerWaalsContact C-N 3.35Å; V235-A237 PolarHBondContact O-N 2.86Å; V235-W238 WeakPolarHBondContact O-CB 3.41Å; V235-W238 PolarHBondContact O-N 2.87Å; V235-V239 HydrophobicContact CG1-CG2 4.39Å; V235-V239 VanDerWaalsContact O-CG2 3.24Å; V235-V239 WeakPolarHBondContact O-CG2 3.25Å; V235-V239 PolarHBondContact O-N 2.58Å; V235-V253 HydrophobicContact CB-CG1 4.47Å; V235-V253 HydrophobicContact CG1-CB 4.47Å; V235-V253 HydrophobicContact CG1-CG1 3.63Å; V235-V253 HydrophobicContact CG2-CG1 3.99Å; V235-V257 HydrophobicContact CB-CG2 4.43Å; V235-V257 HydrophobicContact CG2-CG2 3.91Å
236	M	94.3	Very high	90.5	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-35.2	179.3	-69	-55.6	-63.5	0	0	112.8	F232 N233 A234 V239 K240 L250 D274 L276	F232-M236 HydrophobicContact CD1-CG 4.04Å; F232-M236 HydrophobicContact CD2-CG 4.39Å; F232-M236 HydrophobicContact CE1-CG 3.53Å; F232-M236 HydrophobicContact CE2-CG 3.9Å; F232-M236 HydrophobicContact CE2-SD 4.17Å; F232-M236 HydrophobicContact CG-CG 4.45Å; F232-M236 HydrophobicContact CZ-CG 3.45Å; F232-M236 VanDerWaalsContact CZ-CG 3.45Å; F232-M236 HydrophobicContact CZ-SD 3.94Å; F232-M236 WeakPolarHBondContact O-CG 3.36Å; F232-M236 PolarHBondContact O-N 2.87Å; N233-M236 PolarHBondContact O-N 3.38Å; A234-M236 PolarHBondContact O-N 3.08Å; M236-V239 PolarHBondContact O-N 3.32Å; M236-K240 VanDerWaalsContact O-CB 3.28Å; M236-K240 WeakPolarHBondContact O-CB 3.48Å; M236-K240 WeakPolarHBondContact O-CG 3.36Å; M236-K240 PolarHBondContact O-N 3.34Å; M236-L250 HydrophobicContact SD-CD1 4.22Å; M236-D274 WeakPolarHBondContact CE-OD2 3.4Å; M236-L276 HydrophobicContact CE-CB 4.34Å; M236-L276 HydrophobicContact CE-CD1 3.82Å
237	A	93.2	Very high	91.4	Very high	39 Å²	39	51.4 Å²	51.4	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-44.8	173.3	0	0	0	0	0	110.9	M207 N233 A234 V235 V239 K240 Y241	M207-A237 HydrophobicContact CE-CB 3.83Å; M207-A237 HydrophobicContact SD-CB 4.31Å; N233-A237 WeakPolarHBondContact O-CB 3.26Å; N233-A237 PolarHBondContact O-N 2.92Å; A234-A237 PolarHBondContact O-N 2.85Å; V235-A237 VanDerWaalsContact C-N 3.35Å; V235-A237 PolarHBondContact O-N 2.86Å; A237-V239 PolarHBondContact O-N 2.97Å; A237-K240 PolarHBondContact O-N 2.9Å; A237-Y241 PolarHBondContact O-N 2.85Å
238	W	95.3	Very high	91.8	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-44.6	174.4	179.8	90.7	0	0	0	112	F206 L209 A211 L214 A234 V235 Y241 R246 V253	F206-W238 HydrophobicContact CE1-CB 4.36Å; L209-W238 WeakPolarHBondContact O-CZ2 3.31Å; L209-W238 PolarHBondContact O-NE1 2.93Å; A211-W238 HydrophobicContact CB-CH2 3.86Å; A211-W238 HydrophobicContact CB-CZ2 4.26Å; L214-W238 HydrophobicContact CD2-CB 4.3Å; L214-W238 HydrophobicContact CD2-CD2 3.41Å; L214-W238 VanDerWaalsContact CD2-CD2 3.41Å; L214-W238 HydrophobicContact CD2-CE3 3.6Å; L214-W238 HydrophobicContact CD2-CG 3.72Å; L214-W238 HydrophobicContact CD2-CH2 4.46Å; L214-W238 HydrophobicContact CD2-CZ2 4.28Å; L214-W238 HydrophobicContact CD2-CZ3 4.14Å; A234-W238 WeakPolarHBondContact O-CB 3.21Å; A234-W238 PolarHBondContact O-N 2.96Å; V235-W238 WeakPolarHBondContact O-CB 3.41Å; V235-W238 PolarHBondContact O-N 2.87Å; W238-Y241 WeakPolarHBondContact O-CB 3.21Å; W238-Y241 PolarHBondContact O-N 3.36Å; W238-R246 HydrophobicContact CE3-CB 4.44Å; W238-R246 HydrophobicContact CE3-CG 4.39Å; W238-R246 HydrophobicContact CH2-CB 4.09Å; W238-R246 HydrophobicContact CH2-CG 3.63Å; W238-R246 HydrophobicContact CZ2-CG 4.07Å; W238-R246 HydrophobicContact CZ3-CB 3.83Å; W238-R246 HydrophobicContact CZ3-CG 3.82Å; W238-R246 VanDerWaalsContact NE1-CZ 3.31Å; W238-R246 VanDerWaalsContact O-CD 3.26Å; W238-R246 WeakPolarHBondContact O-CD 3.35Å; W238-R246 PolarHBondContact O-NH1 2.77Å; W238-V253 HydrophobicContact CZ3-CG2 4.17Å
239	V	93.6	Very high	92	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-43.3	177	177.4	0	0	0	0	111.2	V235 M236 A237 Y241 S242 I243 R246 L250 L276	V235-V239 HydrophobicContact CG1-CG2 4.39Å; V235-V239 VanDerWaalsContact O-CG2 3.24Å; V235-V239 WeakPolarHBondContact O-CG2 3.25Å; V235-V239 PolarHBondContact O-N 2.58Å; M236-V239 PolarHBondContact O-N 3.32Å; A237-V239 PolarHBondContact O-N 2.97Å; V239-Y241 PolarHBondContact O-N 2.76Å; V239-S242 CarbonylContact O-C 3.47Å; V239-S242 VanDerWaalsContact O-C 3.31Å; V239-S242 PolarHBondContact O-N 3.45Å; V239-I243 WeakPolarHBondContact O-CA 3.33Å; V239-I243 PolarHBondContact O-N 3.34Å; V239-R246 HydrophobicContact CG1-CB 4.49Å; V239-L250 HydrophobicContact CG2-CD1 3.85Å; V239-L276 HydrophobicContact CG1-CD1 4.15Å
240	K	92.1	Very high	92.2	Very high	106 Å²	106	54.9 Å²	54.9	46%	0.461	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-22.9	-178.7	-74.3	171.1	-177.1	172.8	0	113	M236 A237 D274 L276	M236-K240 VanDerWaalsContact O-CB 3.28Å; M236-K240 WeakPolarHBondContact O-CB 3.48Å; M236-K240 WeakPolarHBondContact O-CG 3.36Å; M236-K240 PolarHBondContact O-N 3.34Å; A237-K240 PolarHBondContact O-N 2.9Å; K240-D274 IonicContact NZ-OD2 2.71Å; K240-D274 PolarHBondContact NZ-OD2 2.77Å; K240-D274 VanDerWaalsContact NZ-OD2 3.09Å; K240-L276 HydrophobicContact CG-CD1 4.35Å
241	Y	92.8	Very high	92.4	Very high	125 Å²	125	53.2 Å²	53.2	49%	0.49	26%	0.261	S	S	.	.	H	α-helix	trans	-65.2	-38.6	174.9	-171.4	-92.6	0	0	0	112.9	M207 L208 A237 W238 V239	M207-Y241 HydrophobicContact CB-CD1 4.38Å; M207-Y241 HydrophobicContact CB-CD2 3.94Å; M207-Y241 HydrophobicContact CB-CE2 4.12Å; M207-Y241 HydrophobicContact CB-CG 4.08Å; M207-Y241 HydrophobicContact CG-CD2 4.32Å; L208-Y241 HydrophobicContact CD2-CE1 3.94Å; A237-Y241 PolarHBondContact O-N 2.85Å; W238-Y241 WeakPolarHBondContact O-CB 3.21Å; W238-Y241 PolarHBondContact O-N 3.36Å; V239-Y241 PolarHBondContact O-N 2.76Å
242	S	91.5	Very high	92.5	Very high	28 Å²	28	58.4 Å²	58.4	20%	0.196	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	75.8	174.2	-175.2	0	0	0	0	111.1	V239 Q244 E245 R246	V239-S242 CarbonylContact O-C 3.47Å; V239-S242 VanDerWaalsContact O-C 3.31Å; V239-S242 PolarHBondContact O-N 3.45Å; S242-Q244 VanDerWaalsContact C-N 3.32Å; S242-Q244 PolarHBondContact O-N 2.9Å; S242-E245 PolarHBondContact O-N 2.76Å; S242-E245 PolarHBondContact OG-OE2 3.03Å; S242-R246 VanDerWaalsContact O-CB 3.24Å; S242-R246 WeakPolarHBondContact O-CB 3.35Å; S242-R246 WeakPolarHBondContact O-CG 3.49Å; S242-R246 PolarHBondContact O-N 3.05Å
243	I	90.3	Very high	92.5	Very high	81 Å²	81	58.3 Å²	58.3	42%	0.415	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-40.1	-172.9	-64.7	172.9	0	0	0	112.1	V239 E245 R247 L276	V239-I243 WeakPolarHBondContact O-CA 3.33Å; V239-I243 PolarHBondContact O-N 3.34Å; I243-E245 PolarHBondContact O-N 3.26Å; I243-R247 WeakPolarHBondContact O-CB 3.3Å; I243-R247 PolarHBondContact O-N 3.14Å; I243-R247 VanDerWaalsContact O-N 3.11Å; I243-L276 HydrophobicContact CG2-CD2 4.49Å
244	Q	88.7	Confident	92.5	Very high	185 Å²	185	54.4 Å²	54.4	86%	0.864	26%	0.263	S	S	*	.	H	α-helix	trans	-65.8	-39.4	-174	-67	-163.2	-10.1	0	0	112.5	S242	S242-Q244 VanDerWaalsContact C-N 3.32Å; S242-Q244 PolarHBondContact O-N 2.9Å
245	E	90.4	Very high	92.6	Very high	138 Å²	138	57.7 Å²	57.7	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-88.5	-34.3	-176.8	-62.3	175.9	159.6	0	0	112.6	S242 I243 P248	S242-E245 PolarHBondContact O-N 2.76Å; S242-E245 PolarHBondContact OG-OE2 3.03Å; I243-E245 PolarHBondContact O-N 3.26Å; E245-P248 WeakPolarHBondContact O-CD 3.43Å
246	R	91.6	Very high	92.5	Very high	22 Å²	22	60.2 Å²	60.2	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-93.7	-17.6	-171.1	-62.6	175.2	175.2	176	-4.3	113.6	M207 W238 V239 S242 Q249 L250	M207-R246 VanDerWaalsContact O-CZ 3.24Å; M207-R246 PolarHBondContact O-NH1 3.15Å; M207-R246 PolarHBondContact O-NH2 2.98Å; W238-R246 HydrophobicContact CE3-CB 4.44Å; W238-R246 HydrophobicContact CE3-CG 4.39Å; W238-R246 HydrophobicContact CH2-CB 4.09Å; W238-R246 HydrophobicContact CH2-CG 3.63Å; W238-R246 HydrophobicContact CZ2-CG 4.07Å; W238-R246 HydrophobicContact CZ3-CB 3.83Å; W238-R246 HydrophobicContact CZ3-CG 3.82Å; W238-R246 VanDerWaalsContact NE1-CZ 3.31Å; W238-R246 VanDerWaalsContact O-CD 3.26Å; W238-R246 WeakPolarHBondContact O-CD 3.35Å; W238-R246 PolarHBondContact O-NH1 2.77Å; V239-R246 HydrophobicContact CG1-CB 4.49Å; S242-R246 VanDerWaalsContact O-CB 3.24Å; S242-R246 WeakPolarHBondContact O-CB 3.35Å; S242-R246 WeakPolarHBondContact O-CG 3.49Å; S242-R246 PolarHBondContact O-N 3.05Å; R246-Q249 WeakPolarHBondContact O-CB 3.42Å; R246-Q249 PolarHBondContact O-N 3.25Å; R246-L250 PolarHBondContact O-N 2.99Å; R246-L250 VanDerWaalsContact O-N 3.12Å
247	R	90	Very high	92.5	Very high	124 Å²	124	59.9 Å²	59.9	47%	0.468	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-55.1	-44.5	177.5	178.7	179	-174.5	-178	2.2	113.2	I243 Q249 L250 S279	I243-R247 WeakPolarHBondContact O-CB 3.3Å; I243-R247 PolarHBondContact O-N 3.14Å; I243-R247 VanDerWaalsContact O-N 3.11Å; R247-Q249 PolarHBondContact O-N 3.36Å; R247-L250 VanDerWaalsContact O-CB 3.31Å; R247-L250 WeakPolarHBondContact O-CB 3.45Å; R247-L250 PolarHBondContact O-N 2.75Å; R247-S279 PolarHBondContact NH2-OG 2.93Å
248	P	91.1	Very high	92.4	Very high	96 Å²	96	58.5 Å²	58.5	62%	0.623	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-65.8	-21.6	176.2	-20.8	34	0	0	0	114	E245	E245-P248 WeakPolarHBondContact O-CD 3.43Å
249	Q	92.3	Very high	92.2	Very high	65 Å²	65	58.6 Å²	58.6	30%	0.304	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-90.5	-11.3	-178.9	-60.4	168.3	-0.3	0	0	112	R246 R247 P251 Q252 V253	R246-Q249 WeakPolarHBondContact O-CB 3.42Å; R246-Q249 PolarHBondContact O-N 3.25Å; R247-Q249 PolarHBondContact O-N 3.36Å; Q249-P251 VanDerWaalsContact C-CD 3.48Å; Q249-Q252 WeakPolarHBondContact O-CB 3.33Å; Q249-Q252 PolarHBondContact O-N 2.85Å; Q249-Q252 VanDerWaalsContact O-N 3.15Å; Q249-V253 WeakPolarHBondContact O-CG2 3.48Å; Q249-V253 PolarHBondContact O-N 2.92Å; Q249-V253 VanDerWaalsContact O-N 3.1Å
250	L	93.1	Very high	91.9	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-52.2	-47	-177.4	173.8	63.3	0	0	0	113.1	M236 V239 R246 R247 Q252 V253 L254 L276	M236-L250 HydrophobicContact SD-CD1 4.22Å; V239-L250 HydrophobicContact CG2-CD1 3.85Å; R246-L250 PolarHBondContact O-N 2.99Å; R246-L250 VanDerWaalsContact O-N 3.12Å; R247-L250 VanDerWaalsContact O-CB 3.31Å; R247-L250 WeakPolarHBondContact O-CB 3.45Å; R247-L250 PolarHBondContact O-N 2.75Å; L250-Q252 VanDerWaalsContact C-N 3.32Å; L250-Q252 PolarHBondContact O-N 3.42Å; L250-V253 PolarHBondContact O-N 3.38Å; L250-L254 HydrophobicContact CD1-CB 4.41Å; L250-L254 WeakPolarHBondContact O-CB 3.37Å; L250-L254 PolarHBondContact O-N 2.86Å; L250-L276 HydrophobicContact CD2-CB 3.96Å
251	P	93.1	Very high	91.6	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-42	-179.7	-21.8	33.8	0	0	0	112.4	Q249 V253 L254 Q255 D280 E282	Q249-P251 VanDerWaalsContact C-CD 3.48Å; P251-V253 VanDerWaalsContact C-N 3.3Å; P251-V253 PolarHBondContact O-N 3.29Å; P251-L254 PolarHBondContact O-N 2.8Å; P251-Q255 PolarHBondContact O-N 3.41Å; P251-D280 WeakPolarHBondContact CG-OD1 3.42Å; P251-E282 HydrophobicContact CB-CB 3.84Å; P251-E282 WeakPolarHBondContact CB-OE2 3.28Å; P251-E282 HydrophobicContact CG-CB 4.35Å
252	Q	93.7	Very high	91.3	Very high	109 Å²	109	49.5 Å²	49.5	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-65.8	-31.5	-179.7	-63.6	-178.8	-8.2	0	0	112.9	Q249 L250 Q255 H256	Q249-Q252 WeakPolarHBondContact O-CB 3.33Å; Q249-Q252 PolarHBondContact O-N 2.85Å; Q249-Q252 VanDerWaalsContact O-N 3.15Å; L250-Q252 VanDerWaalsContact C-N 3.32Å; L250-Q252 PolarHBondContact O-N 3.42Å; Q252-Q255 WeakPolarHBondContact O-CG 3.44Å; Q252-Q255 PolarHBondContact O-NE2 2.8Å; Q252-H256 PolarHBondContact O-CD2 2.75Å; Q252-H256 PolarHBondContact O-NE2 2.83Å
253	V	94.1	Very high	90.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-83.2	-42.9	176.1	-178.4	0	0	0	0	110.5	L214 I215 I218 V235 W238 Q249 L250 P251 Q255 H256	L214-V253 HydrophobicContact CD2-CG1 3.77Å; L214-V253 HydrophobicContact CG-CG1 4.33Å; I215-V253 HydrophobicContact CD1-CG2 4.15Å; I215-V253 HydrophobicContact CG1-CG2 4.08Å; I218-V253 HydrophobicContact CD1-CG1 3.54Å; I218-V253 WeakPolarHBondContact CD1-O 3.48Å; V235-V253 HydrophobicContact CB-CG1 4.47Å; V235-V253 HydrophobicContact CG1-CB 4.47Å; V235-V253 HydrophobicContact CG1-CG1 3.63Å; V235-V253 HydrophobicContact CG2-CG1 3.99Å; W238-V253 HydrophobicContact CZ3-CG2 4.17Å; Q249-V253 WeakPolarHBondContact O-CG2 3.48Å; Q249-V253 PolarHBondContact O-N 2.92Å; Q249-V253 VanDerWaalsContact O-N 3.1Å; L250-V253 PolarHBondContact O-N 3.38Å; P251-V253 VanDerWaalsContact C-N 3.3Å; P251-V253 PolarHBondContact O-N 3.29Å; V253-Q255 VanDerWaalsContact C-N 3.31Å; V253-Q255 PolarHBondContact O-N 2.8Å; V253-H256 PolarHBondContact O-N 3.12Å; V253-H256 VanDerWaalsContact O-N 3.1Å
254	L	94.1	Very high	90.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-32.8	-174.3	-172	65	0	0	0	112.8	F232 L250 P251 H256 V257 L259 I277 C283 L286	F232-L254 HydrophobicContact CD2-CD1 4Å; F232-L254 HydrophobicContact CE2-CD1 3.91Å; L250-L254 HydrophobicContact CD1-CB 4.41Å; L250-L254 WeakPolarHBondContact O-CB 3.37Å; L250-L254 PolarHBondContact O-N 2.86Å; P251-L254 PolarHBondContact O-N 2.8Å; L254-H256 PolarHBondContact O-N 2.79Å; L254-H256 VanDerWaalsContact O-N 3.08Å; L254-V257 HydrophobicContact CD1-CB 4.39Å; L254-V257 HydrophobicContact CD1-CG2 4.25Å; L254-V257 WeakPolarHBondContact O-CB 3.42Å; L254-V257 PolarHBondContact O-N 3.12Å; L254-L259 HydrophobicContact CD1-CD2 4.25Å; L254-L259 HydrophobicContact CG-CD1 4.39Å; L254-I277 HydrophobicContact CD2-CD1 4.37Å; L254-I277 HydrophobicContact CD2-CG1 4.45Å; L254-C283 HydrophobicContact CD2-CB 3.92Å; L254-L286 HydrophobicContact CB-CD1 4.24Å; L254-L286 HydrophobicContact CD2-CD1 4.26Å; L254-L286 HydrophobicContact CG-CD1 4.17Å
255	Q	93.6	Very high	90.6	Very high	76 Å²	76	49.2 Å²	49.2	36%	0.355	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	175.6	61.6	173.3	-15.4	0	0	114.5	P251 Q252 V253 L286 R307	P251-Q255 PolarHBondContact O-N 3.41Å; Q252-Q255 WeakPolarHBondContact O-CG 3.44Å; Q252-Q255 PolarHBondContact O-NE2 2.8Å; V253-Q255 VanDerWaalsContact C-N 3.31Å; V253-Q255 PolarHBondContact O-N 2.8Å; Q255-L286 HydrophobicContact CB-CD1 4.09Å; Q255-L286 HydrophobicContact CB-CD2 4.29Å; Q255-R307 WeakPolarHBondContact O-CD 3.41Å; Q255-R307 WeakPolarHBondContact O-CG 3.36Å
256	H	93.6	Very high	90.5	Very high	52 Å²	52	43.9 Å²	43.9	24%	0.241	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.7	176.6	-60.4	-73.9	0	0	0	113.1	I215 I218 Q252 V253 L254 R311	I215-H256 WeakPolarHBondContact CG2-NE2 3.46Å; I218-H256 HydrophobicContact CD1-CB 3.83Å; I218-H256 HydrophobicContact CG1-CB 3.74Å; Q252-H256 PolarHBondContact O-CD2 2.75Å; Q252-H256 PolarHBondContact O-NE2 2.83Å; V253-H256 PolarHBondContact O-N 3.12Å; V253-H256 VanDerWaalsContact O-N 3.1Å; L254-H256 PolarHBondContact O-N 2.79Å; L254-H256 VanDerWaalsContact O-N 3.08Å; H256-R311 PolarHBondContact O-NH2 3.32Å
257	V	93.5	Very high	90.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-85	131.2	167.3	-172.9	0	0	0	0	108.4	V231 F232 V235 L254 L259	V231-V257 HydrophobicContact CG1-CG1 4.46Å; V231-V257 HydrophobicContact CG1-CG2 4.21Å; F232-V257 HydrophobicContact CB-CG1 4.05Å; V235-V257 HydrophobicContact CB-CG2 4.43Å; V235-V257 HydrophobicContact CG2-CG2 3.91Å; L254-V257 HydrophobicContact CD1-CB 4.39Å; L254-V257 HydrophobicContact CD1-CG2 4.25Å; L254-V257 WeakPolarHBondContact O-CB 3.42Å; L254-V257 PolarHBondContact O-N 3.12Å; V257-L259 HydrophobicContact CB-CD2 4.27Å; V257-L259 HydrophobicContact CG1-CD2 3.92Å; V257-L259 PolarHBondContact O-N 2.92Å
258	R	91.3	Very high	90.3	Very high	9 Å²	9	41.1 Å²	41.1	3%	0.034	21%	0.214	C	C	.	.			trans	-85.3	66.7	-174.2	-50.4	-180	-165.8	-151.1	-8.8	110.2	D221 E228 P260 L261 R307 R309 P310 R311	D221-R258 IonicContact OD1-CZ 3.74Å; D221-R258 IonicContact OD1-NH1 3.21Å; D221-R258 PolarHBondContact OD1-NH1 3.47Å; D221-R258 IonicContact OD1-NH2 3.09Å; D221-R258 PolarHBondContact OD1-NH2 2.93Å; E228-R258 VanDerWaalsContact CD-CB 3.49Å; E228-R258 HydrophobicContact CG-CB 3.84Å; E228-R258 WeakPolarHBondContact OE1-CD 3.32Å; E228-R258 IonicContact OE1-NE 3.59Å; E228-R258 PolarHBondContact OE2-N 3.33Å; R258-P260 VanDerWaalsContact C-N 3.27Å; R258-P260 VanDerWaalsContact O-N 3.16Å; R258-L261 HydrophobicContact CB-CB 4.49Å; R258-L261 HydrophobicContact CB-CD1 3.8Å; R258-L261 HydrophobicContact CB-CG 4.16Å; R258-L261 WeakPolarHBondContact O-CB 3.23Å; R258-L261 PolarHBondContact O-N 2.9Å; R258-R307 WeakPolarHBondContact CB-O 3.46Å; R258-R309 WeakPolarHBondContact CD-O 3.37Å; R258-R309 PolarHBondContact NH1-O 3.28Å; R258-P310 PolarHBondContact NH1-O 2.99Å; R258-R311 VanDerWaalsContact NH1-CA 3.31Å; R258-R311 VanDerWaalsContact NH1-N 3.13Å
259	L	91.3	Very high	90	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-48.6	-38.3	-178.1	-58.1	-177.6	0	0	0	114.4	F232 L254 V257 L261 L262 L267 V271 L286 V287 A290	F232-L259 HydrophobicContact CD2-CD2 4.16Å; L254-L259 HydrophobicContact CD1-CD2 4.25Å; L254-L259 HydrophobicContact CG-CD1 4.39Å; V257-L259 HydrophobicContact CB-CD2 4.27Å; V257-L259 HydrophobicContact CG1-CD2 3.92Å; V257-L259 PolarHBondContact O-N 2.92Å; L259-L261 PolarHBondContact O-N 2.77Å; L259-L262 HydrophobicContact CB-CD1 4.26Å; L259-L262 HydrophobicContact CD2-CD1 3.53Å; L259-L262 WeakPolarHBondContact O-CB 3.48Å; L259-L262 WeakPolarHBondContact O-CG 3.47Å; L259-L262 PolarHBondContact O-N 3.17Å; L259-L262 VanDerWaalsContact O-N 3.08Å; L259-L267 HydrophobicContact CB-CD1 4.36Å; L259-V271 HydrophobicContact CD2-CG1 4.37Å; L259-L286 HydrophobicContact CD1-CB 3.89Å; L259-V287 HydrophobicContact CD1-CG2 4.28Å; L259-A290 HydrophobicContact CB-CB 3.71Å
260	P	88.4	Confident	89.9	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.026	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.6	-14.8	176.6	-24.8	35	0	0	0	115.3	R258 A290 Y293 R307 T308	R258-P260 VanDerWaalsContact C-N 3.27Å; R258-P260 VanDerWaalsContact O-N 3.16Å; P260-A290 HydrophobicContact CB-CB 4.44Å; P260-A290 HydrophobicContact CG-CB 4.08Å; P260-Y293 HydrophobicContact CB-CD1 3.56Å; P260-Y293 HydrophobicContact CB-CE1 4.13Å; P260-Y293 HydrophobicContact CB-CG 3.86Å; P260-R307 HydrophobicContact CG-CB 4.38Å; P260-T308 HydrophobicContact CB-CG2 3.82Å; P260-T308 HydrophobicContact CG-CG2 3.81Å
261	L	84.9	Confident	89.8	Confident	33 Å²	33	38.6 Å²	38.6	17%	0.173	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-101	1.5	179.7	-53.9	179	0	0	0	113.3	E228 R258 L259 P310 H607	E228-L261 HydrophobicContact CG-CB 4.11Å; E228-L261 HydrophobicContact CG-CD1 4.49Å; R258-L261 HydrophobicContact CB-CB 4.49Å; R258-L261 HydrophobicContact CB-CD1 3.8Å; R258-L261 HydrophobicContact CB-CG 4.16Å; R258-L261 WeakPolarHBondContact O-CB 3.23Å; R258-L261 PolarHBondContact O-N 2.9Å; L259-L261 PolarHBondContact O-N 2.77Å; L261-P310 VanDerWaalsContact CD1-CA 3.43Å; L261-P310 HydrophobicContact CD1-CB 4.13Å; L261-P310 HydrophobicContact CD1-CG 4.17Å; L261-P310 HydrophobicContact CD2-CG 4.28Å; L261-H607 PolarHBondContact O-NE2 3.33Å
262	L	86.3	Confident	89.5	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	22%	0.219	C	C	.	.	S	Bend	trans	-72.6	156.2	172.9	-62.3	174.3	0	0	0	111	E228 E229 L259 F266 L267 V271	E228-L262 HydrophobicContact CB-CD2 3.57Å; E228-L262 HydrophobicContact CB-CG 4.35Å; E229-L262 HydrophobicContact CB-CD2 4.25Å; E229-L262 HydrophobicContact CG-CD2 3.65Å; E229-L262 VanDerWaalsContact N-CD2 3.33Å; L259-L262 HydrophobicContact CB-CD1 4.26Å; L259-L262 HydrophobicContact CD2-CD1 3.53Å; L259-L262 WeakPolarHBondContact O-CB 3.48Å; L259-L262 WeakPolarHBondContact O-CG 3.47Å; L259-L262 PolarHBondContact O-N 3.17Å; L259-L262 VanDerWaalsContact O-N 3.08Å; L262-F266 HydrophobicContact CD1-CD1 4.23Å; L262-F266 HydrophobicContact CD2-CD1 4.2Å; L262-F266 HydrophobicContact CD2-CE1 4.4Å; L262-L267 HydrophobicContact CB-CB 4.43Å; L262-L267 HydrophobicContact CD1-CD1 4Å; L262-V271 HydrophobicContact CD1-CG2 3.83Å
263	S	84.3	Confident	89.4	Confident	25 Å²	25	36.7 Å²	36.7	18%	0.175	21%	0.214	C	C	.	.			trans	-65.1	142.9	171.7	69.3	0	0	0	0	110.4	E229 K265 F266 L267	E229-S263 WeakPolarHBondContact OE1-CB 3.42Å; E229-S263 PolarHBondContact OE1-OG 2.8Å; S263-K265 PolarHBondContact O-N 2.88Å; S263-F266 PolarHBondContact O-N 2.85Å; S263-F266 VanDerWaalsContact O-N 3.09Å; S263-F266 WeakPolarHBondContact OG-CB 3.29Å; S263-F266 PolarHBondContact OG-N 3.02Å; S263-L267 PolarHBondContact O-N 3.16Å
264	P	84.5	Confident	89.3	Confident	82 Å²	82	37.7 Å²	37.7	53%	0.532	22%	0.219	S	C	.	.	H	α-helix	trans	-56.2	-35.8	178.6	-26.6	33.4	0	0	0	113.1	V268 L294	P264-V268 WeakPolarHBondContact O-CG2 3.48Å; P264-V268 PolarHBondContact O-N 2.85Å; P264-V268 VanDerWaalsContact O-N 3.12Å; P264-L294 HydrophobicContact CG-CD1 4.28Å
265	K	86.9	Confident	89.1	Confident	182 Å²	182	42.4 Å²	42.4	79%	0.791	25%	0.25	S	S	*	.	H	α-helix	trans	-64.3	-45.3	177.5	-174.6	179.8	176.9	-176.8	0	111.5	S263 G269	S263-K265 PolarHBondContact O-N 2.88Å; K265-G269 WeakPolarHBondContact O-CA 3.43Å; K265-G269 PolarHBondContact O-N 2.8Å
266	F	88	Confident	88.9	Confident	26 Å²	26	39.9 Å²	39.9	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-70.6	-41.9	179.1	-171.1	-92.4	0	0	0	111.8	E229 F232 L262 S263 V268 T270 V271	E229-F266 HydrophobicContact CB-CD1 4.28Å; E229-F266 HydrophobicContact CB-CD2 4.47Å; E229-F266 HydrophobicContact CB-CE1 4.07Å; E229-F266 HydrophobicContact CB-CE2 4.27Å; E229-F266 HydrophobicContact CB-CG 4.47Å; E229-F266 HydrophobicContact CB-CZ 4.06Å; E229-F266 HydrophobicContact CG-CB 4.32Å; E229-F266 HydrophobicContact CG-CD1 3.77Å; E229-F266 HydrophobicContact CG-CD2 4.21Å; E229-F266 HydrophobicContact CG-CE1 4.07Å; E229-F266 HydrophobicContact CG-CE2 4.48Å; E229-F266 HydrophobicContact CG-CG 3.84Å; E229-F266 HydrophobicContact CG-CZ 4.42Å; E229-F266 VanDerWaalsContact OE1-CB 3.31Å; E229-F266 WeakPolarHBondContact OE1-CB 3.37Å; F232-F266 HydrophobicContact CB-CE1 4.33Å; F232-F266 AromaticContact CD1-CE1 3.59Å; F232-F266 HydrophobicContact CD1-CE1 3.59Å; F232-F266 AromaticContact CD1-CZ 3.74Å; F232-F266 HydrophobicContact CD1-CZ 3.74Å; F232-F266 HydrophobicContact CE1-CE1 4.19Å; F232-F266 HydrophobicContact CE1-CZ 4.3Å; F232-F266 HydrophobicContact CG-CE1 4.09Å; L262-F266 HydrophobicContact CD1-CD1 4.23Å; L262-F266 HydrophobicContact CD2-CD1 4.2Å; L262-F266 HydrophobicContact CD2-CE1 4.4Å; S263-F266 PolarHBondContact O-N 2.85Å; S263-F266 VanDerWaalsContact O-N 3.09Å; S263-F266 WeakPolarHBondContact OG-CB 3.29Å; S263-F266 PolarHBondContact OG-N 3.02Å; F266-V268 PolarHBondContact O-N 3.17Å; F266-T270 HydrophobicContact CD2-CG2 4.49Å; F266-T270 HydrophobicContact CE2-CG2 3.94Å; F266-T270 HydrophobicContact CZ-CG2 3.95Å; F266-T270 WeakPolarHBondContact O-CA 3.37Å; F266-T270 VanDerWaalsContact O-CB 3.29Å; F266-T270 WeakPolarHBondContact O-CB 3.03Å; F266-T270 PolarHBondContact O-N 2.87Å; F266-V271 HydrophobicContact CD1-CG2 3.76Å; F266-V271 HydrophobicContact CE1-CG2 3.67Å; F266-V271 PolarHBondContact O-N 3.33Å; F266-V271 VanDerWaalsContact O-N 3.07Å
267	L	89.9	Confident	88.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	23%	0.228	C	C	.	.	I	π-helix	trans	-60.2	-45.1	179.1	-174.8	70.3	0	0	0	112	L259 L262 S263 V271 G272 V287 A290 K291 L294	L259-L267 HydrophobicContact CB-CD1 4.36Å; L262-L267 HydrophobicContact CB-CB 4.43Å; L262-L267 HydrophobicContact CD1-CD1 4Å; S263-L267 PolarHBondContact O-N 3.16Å; L267-V271 HydrophobicContact CD1-CB 4.22Å; L267-V271 HydrophobicContact CD1-CG1 4.27Å; L267-V271 HydrophobicContact CD1-CG2 4.45Å; L267-V271 WeakPolarHBondContact O-CB 3.43Å; L267-G272 PolarHBondContact O-N 2.91Å; L267-V287 HydrophobicContact CD1-CG1 4.27Å; L267-V287 HydrophobicContact CG-CG1 4.45Å; L267-A290 HydrophobicContact CD1-CB 4.13Å; L267-A290 HydrophobicContact CD2-CB 3.83Å; L267-K291 HydrophobicContact CD2-CG 4.04Å; L267-L294 HydrophobicContact CD2-CD1 3.64Å
268	V	87.6	Confident	88.7	Confident	85 Å²	85	43.1 Å²	43.1	52%	0.515	25%	0.253	S	S	.	.	I	π-helix	trans	-82.7	-45.7	-179.4	179.1	0	0	0	0	111.7	P264 F266 S273	P264-V268 WeakPolarHBondContact O-CG2 3.48Å; P264-V268 PolarHBondContact O-N 2.85Å; P264-V268 VanDerWaalsContact O-N 3.12Å; F266-V268 PolarHBondContact O-N 3.17Å; V268-S273 PolarHBondContact O-OG 3.16Å; V268-S273 VanDerWaalsContact O-OG 3.08Å
269	G	85.8	Confident	88.7	Confident	50 Å²	50	45.6 Å²	45.6	52%	0.515	27%	0.271	S	S	.	.	I	π-helix	trans	-75.2	-31.4	-172.8	0	0	0	0	0	114.2	K265 S273	K265-G269 WeakPolarHBondContact O-CA 3.43Å; K265-G269 PolarHBondContact O-N 2.8Å; G269-S273 WeakPolarHBondContact O-CB 3.45Å; G269-S273 PolarHBondContact O-OG 3.44Å
270	T	89.9	Confident	88.7	Confident	61 Å²	61	47.6 Å²	47.6	37%	0.374	28%	0.282	S	S	.	.	I	π-helix	trans	-113.1	-62.8	-175.8	-53.6	0	0	0	0	110.8	F266 S273 D274	F266-T270 HydrophobicContact CD2-CG2 4.49Å; F266-T270 HydrophobicContact CE2-CG2 3.94Å; F266-T270 HydrophobicContact CZ-CG2 3.95Å; F266-T270 WeakPolarHBondContact O-CA 3.37Å; F266-T270 VanDerWaalsContact O-CB 3.29Å; F266-T270 WeakPolarHBondContact O-CB 3.03Å; F266-T270 PolarHBondContact O-N 2.87Å; T270-S273 PolarHBondContact O-N 2.94Å; T270-D274 PolarHBondContact O-N 3.33Å; T270-D274 VanDerWaalsContact O-N 3.09Å
271	V	91.4	Very high	88.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.31	C	S	.	.	I	π-helix	trans	-62.8	-57.5	-173.8	-177.1	0	0	0	0	111.3	F232 L259 L262 F266 L267 S273 D274 I277 V287	F232-V271 HydrophobicContact CD1-CG2 4.14Å; F232-V271 HydrophobicContact CD2-CG1 4.44Å; F232-V271 HydrophobicContact CD2-CG2 4.08Å; F232-V271 HydrophobicContact CE1-CG2 3.85Å; F232-V271 HydrophobicContact CE2-CB 4.22Å; F232-V271 HydrophobicContact CE2-CG1 3.69Å; F232-V271 HydrophobicContact CE2-CG2 3.82Å; F232-V271 HydrophobicContact CG-CG2 4.24Å; F232-V271 HydrophobicContact CZ-CB 4.06Å; F232-V271 HydrophobicContact CZ-CG1 3.94Å; F232-V271 HydrophobicContact CZ-CG2 3.69Å; L259-V271 HydrophobicContact CD2-CG1 4.37Å; L262-V271 HydrophobicContact CD1-CG2 3.83Å; F266-V271 HydrophobicContact CD1-CG2 3.76Å; F266-V271 HydrophobicContact CE1-CG2 3.67Å; F266-V271 PolarHBondContact O-N 3.33Å; F266-V271 VanDerWaalsContact O-N 3.07Å; L267-V271 HydrophobicContact CD1-CB 4.22Å; L267-V271 HydrophobicContact CD1-CG1 4.27Å; L267-V271 HydrophobicContact CD1-CG2 4.45Å; L267-V271 WeakPolarHBondContact O-CB 3.43Å; V271-S273 PolarHBondContact O-N 3.35Å; V271-S273 VanDerWaalsContact O-N 3.15Å; V271-D274 PolarHBondContact O-N 3.18Å; V271-I277 HydrophobicContact CB-CD1 4.5Å; V271-I277 HydrophobicContact CG1-CD1 3.58Å; V271-I277 WeakPolarHBondContact O-CD1 3.08Å; V271-V287 HydrophobicContact CG1-CG2 3.8Å
272	G	87.4	Confident	89.4	Confident	20 Å²	20	58 Å²	58	21%	0.206	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-12.1	-179	0	0	0	0	0	114.2	L267 K278	L267-G272 PolarHBondContact O-N 2.91Å; G272-K278 WeakPolarHBondContact O-CE 3.32Å
273	S	89.8	Confident	89.7	Confident	57 Å²	57	57.9 Å²	57.9	40%	0.399	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-16.9	178.4	-68.6	0	0	0	0	113.5	V268 G269 T270 V271	V268-S273 PolarHBondContact O-OG 3.16Å; V268-S273 VanDerWaalsContact O-OG 3.08Å; G269-S273 WeakPolarHBondContact O-CB 3.45Å; G269-S273 PolarHBondContact O-OG 3.44Å; T270-S273 PolarHBondContact O-N 2.94Å; V271-S273 PolarHBondContact O-N 3.35Å; V271-S273 VanDerWaalsContact O-N 3.15Å
274	D	91.9	Very high	90.1	Very high	21 Å²	21	61.9 Å²	61.9	11%	0.112	34%	0.34	C	S	.	.			trans	-65.8	129.6	-178	-168	-64.9	0	0	0	111.3	M236 K240 T270 V271 L276 I277 K278	M236-D274 WeakPolarHBondContact CE-OD2 3.4Å; K240-D274 IonicContact NZ-OD2 2.71Å; K240-D274 PolarHBondContact NZ-OD2 2.77Å; K240-D274 VanDerWaalsContact NZ-OD2 3.09Å; T270-D274 PolarHBondContact O-N 3.33Å; T270-D274 VanDerWaalsContact O-N 3.09Å; V271-D274 PolarHBondContact O-N 3.18Å; D274-L276 VanDerWaalsContact C-N 3.27Å; D274-L276 PolarHBondContact O-N 2.78Å; D274-L276 WeakPolarHBondContact OD1-CB 3.34Å; D274-L276 PolarHBondContact OD1-N 2.72Å; D274-I277 HydrophobicContact CB-CD1 4.37Å; D274-I277 HydrophobicContact CB-CG1 4.45Å; D274-I277 PolarHBondContact O-N 3.17Å; D274-K278 PolarHBondContact O-N 2.98Å; D274-K278 VanDerWaalsContact O-N 3.1Å
275	P	90.2	Very high	90.5	Very high	100 Å²	100	62.5 Å²	62.5	65%	0.649	34%	0.339	S	S	*	.	H	α-helix	trans	-58.8	-32.9	-178.5	-25.7	34.6	0	0	0	114.7	S279	P275-S279 WeakPolarHBondContact O-CB 3.37Å; P275-S279 PolarHBondContact O-N 2.97Å; P275-S279 VanDerWaalsContact O-N 3.11Å; P275-S279 PolarHBondContact O-OG 2.95Å
276	L	90.9	Very high	90.8	Very high	23 Å²	23	54.8 Å²	54.8	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-42.7	-178.6	-67.5	172.1	0	0	0	110.6	M236 V239 K240 I243 L250 D274 S279	M236-L276 HydrophobicContact CE-CB 4.34Å; M236-L276 HydrophobicContact CE-CD1 3.82Å; V239-L276 HydrophobicContact CG1-CD1 4.15Å; K240-L276 HydrophobicContact CG-CD1 4.35Å; I243-L276 HydrophobicContact CG2-CD2 4.49Å; L250-L276 HydrophobicContact CD2-CB 3.96Å; D274-L276 VanDerWaalsContact C-N 3.27Å; D274-L276 PolarHBondContact O-N 2.78Å; D274-L276 WeakPolarHBondContact OD1-CB 3.34Å; D274-L276 PolarHBondContact OD1-N 2.72Å; L276-S279 PolarHBondContact O-N 3.12Å; L276-S279 PolarHBondContact O-OG 3.14Å
277	I	91.6	Very high	91	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-69.7	-42.3	178.9	-65.4	-179.7	0	0	0	110.9	F232 L254 V271 D274 S279 D280 C283 V287	F232-I277 HydrophobicContact CE2-CD1 3.64Å; F232-I277 HydrophobicContact CZ-CD1 3.63Å; L254-I277 HydrophobicContact CD2-CD1 4.37Å; L254-I277 HydrophobicContact CD2-CG1 4.45Å; V271-I277 HydrophobicContact CB-CD1 4.5Å; V271-I277 HydrophobicContact CG1-CD1 3.58Å; V271-I277 WeakPolarHBondContact O-CD1 3.08Å; D274-I277 HydrophobicContact CB-CD1 4.37Å; D274-I277 HydrophobicContact CB-CG1 4.45Å; D274-I277 PolarHBondContact O-N 3.17Å; I277-S279 PolarHBondContact O-N 2.83Å; I277-D280 PolarHBondContact O-N 3.01Å; I277-C283 HydrophobicContact CB-CB 4.49Å; I277-C283 HydrophobicContact CG2-CB 4.05Å; I277-V287 HydrophobicContact CG2-CG2 3.89Å
278	K	91.5	Very high	91.1	Very high	117 Å²	117	57 Å²	57	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-30.2	177.4	-75	-176.8	179.1	170.1	0	113.6	G272 D274 D280	G272-K278 WeakPolarHBondContact O-CE 3.32Å; D274-K278 PolarHBondContact O-N 2.98Å; D274-K278 VanDerWaalsContact O-N 3.1Å; K278-D280 VanDerWaalsContact C-N 3.26Å; K278-D280 PolarHBondContact O-N 3.11Å
279	S	89.6	Confident	91.3	Very high	61 Å²	61	55.9 Å²	55.9	43%	0.427	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-12.5	-175.6	73.9	0	0	0	0	114.1	R247 P275 L276 I277	R247-S279 PolarHBondContact NH2-OG 2.93Å; P275-S279 WeakPolarHBondContact O-CB 3.37Å; P275-S279 PolarHBondContact O-N 2.97Å; P275-S279 VanDerWaalsContact O-N 3.11Å; P275-S279 PolarHBondContact O-OG 2.95Å; L276-S279 PolarHBondContact O-N 3.12Å; L276-S279 PolarHBondContact O-OG 3.14Å; I277-S279 PolarHBondContact O-N 2.83Å
280	D	92.6	Very high	91.4	Very high	45 Å²	45	53.5 Å²	53.5	24%	0.241	28%	0.284	C	S	.	.			trans	-114.6	144.1	-175.4	-173.8	-92.2	0	0	0	110.5	P251 I277 K278 E282 C283 R284	P251-D280 WeakPolarHBondContact CG-OD1 3.42Å; I277-D280 PolarHBondContact O-N 3.01Å; K278-D280 VanDerWaalsContact C-N 3.26Å; K278-D280 PolarHBondContact O-N 3.11Å; D280-E282 PolarHBondContact OD1-N 3.22Å; D280-E282 VanDerWaalsContact OD1-N 3.12Å; D280-C283 HydrophobicContact CB-CB 4.03Å; D280-C283 PolarHBondContact OD1-N 3.4Å; D280-C283 PolarHBondContact OD1-SG 3.03Å; D280-R284 VanDerWaalsContact O-CG 3.29Å; D280-R284 WeakPolarHBondContact O-CG 3.22Å; D280-R284 PolarHBondContact O-NE 3.16Å
281	E	92.9	Very high	91.4	Very high	133 Å²	133	53.9 Å²	53.9	62%	0.621	28%	0.28	S	S	*	.	H	α-helix	trans	-80.1	-48.4	-177.9	-173.5	169.3	-173.1	0	0	112	C283 R284 D285	E281-C283 VanDerWaalsContact C-N 3.3Å; E281-C283 PolarHBondContact O-N 3.11Å; E281-R284 WeakPolarHBondContact O-CB 3.48Å; E281-R284 PolarHBondContact O-N 2.89Å; E281-D285 PolarHBondContact O-N 2.91Å; E281-D285 VanDerWaalsContact O-N 3.1Å
282	E	93.5	Very high	91.2	Very high	122 Å²	122	57.8 Å²	57.8	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-62	-38.1	-179.9	-67	-178.7	-150.1	0	0	111.8	P251 D280 R284 D285 L286	P251-E282 HydrophobicContact CB-CB 3.84Å; P251-E282 WeakPolarHBondContact CB-OE2 3.28Å; P251-E282 HydrophobicContact CG-CB 4.35Å; D280-E282 PolarHBondContact OD1-N 3.22Å; D280-E282 VanDerWaalsContact OD1-N 3.12Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-R284 PolarHBondContact O-N 3.11Å; E282-D285 PolarHBondContact O-N 2.8Å; E282-L286 WeakPolarHBondContact O-CG 3.37Å; E282-L286 PolarHBondContact O-N 2.89Å
283	C	93.2	Very high	91.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-36.3	175.5	-63.9	0	0	0	0	112.5	L254 I277 D280 E281 L286 V287	L254-C283 HydrophobicContact CD2-CB 3.92Å; I277-C283 HydrophobicContact CB-CB 4.49Å; I277-C283 HydrophobicContact CG2-CB 4.05Å; D280-C283 HydrophobicContact CB-CB 4.03Å; D280-C283 PolarHBondContact OD1-N 3.4Å; D280-C283 PolarHBondContact OD1-SG 3.03Å; E281-C283 VanDerWaalsContact C-N 3.3Å; E281-C283 PolarHBondContact O-N 3.11Å; C283-L286 PolarHBondContact O-N 2.71Å; C283-V287 WeakPolarHBondContact O-CG2 3.2Å; C283-V287 PolarHBondContact O-N 2.77Å
284	R	93.3	Very high	90.7	Very high	109 Å²	109	57.2 Å²	57.2	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-68.7	-40.7	177.5	-74	-179.4	-64.6	124.7	-4.2	111.2	D280 E281 E282 L286 V287 D288	D280-R284 VanDerWaalsContact O-CG 3.29Å; D280-R284 WeakPolarHBondContact O-CG 3.22Å; D280-R284 PolarHBondContact O-NE 3.16Å; E281-R284 WeakPolarHBondContact O-CB 3.48Å; E281-R284 PolarHBondContact O-N 2.89Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-R284 PolarHBondContact O-N 3.11Å; R284-L286 VanDerWaalsContact C-N 3.29Å; R284-L286 PolarHBondContact O-N 2.85Å; R284-V287 PolarHBondContact O-N 2.84Å; R284-V287 VanDerWaalsContact O-N 3.1Å; R284-D288 PolarHBondContact O-N 3.32Å
285	D	93.4	Very high	90.4	Very high	95 Å²	95	62.5 Å²	62.5	51%	0.508	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-40.9	176.4	-68.8	-13.4	0	0	0	111.7	E281 E282 V287 D288 E289	E281-D285 PolarHBondContact O-N 2.91Å; E281-D285 VanDerWaalsContact O-N 3.1Å; E282-D285 PolarHBondContact O-N 2.8Å; D285-V287 PolarHBondContact O-N 2.91Å; D285-D288 PolarHBondContact O-N 3.05Å; D285-E289 PolarHBondContact O-N 2.84Å
286	L	92.8	Very high	90.1	Very high	21 Å²	21	61.1 Å²	61.1	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-39	174.5	-68.7	172.6	0	0	0	112.8	L254 Q255 L259 E282 C283 R284 A290	L254-L286 HydrophobicContact CB-CD1 4.24Å; L254-L286 HydrophobicContact CD2-CD1 4.26Å; L254-L286 HydrophobicContact CG-CD1 4.17Å; Q255-L286 HydrophobicContact CB-CD1 4.09Å; Q255-L286 HydrophobicContact CB-CD2 4.29Å; L259-L286 HydrophobicContact CD1-CB 3.89Å; E282-L286 WeakPolarHBondContact O-CG 3.37Å; E282-L286 PolarHBondContact O-N 2.89Å; C283-L286 PolarHBondContact O-N 2.71Å; R284-L286 VanDerWaalsContact C-N 3.29Å; R284-L286 PolarHBondContact O-N 2.85Å; L286-A290 PolarHBondContact O-N 3.03Å
287	V	93	Very high	89.3	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.024	32%	0.319	C	S	.	.	H	α-helix	trans	-68.3	-39.2	175.8	176.5	0	0	0	0	110.7	L259 L267 V271 I277 C283 R284 D285 A290 K291	L259-V287 HydrophobicContact CD1-CG2 4.28Å; L267-V287 HydrophobicContact CD1-CG1 4.27Å; L267-V287 HydrophobicContact CG-CG1 4.45Å; V271-V287 HydrophobicContact CG1-CG2 3.8Å; I277-V287 HydrophobicContact CG2-CG2 3.89Å; C283-V287 WeakPolarHBondContact O-CG2 3.2Å; C283-V287 PolarHBondContact O-N 2.77Å; R284-V287 PolarHBondContact O-N 2.84Å; R284-V287 VanDerWaalsContact O-N 3.1Å; D285-V287 PolarHBondContact O-N 2.91Å; V287-A290 PolarHBondContact O-N 2.83Å; V287-K291 HydrophobicContact CG1-CD 4.48Å; V287-K291 WeakPolarHBondContact O-CG 3.44Å; V287-K291 PolarHBondContact O-N 2.96Å
288	D	90.6	Very high	88.4	Confident	69 Å²	69	72.5 Å²	72.5	37%	0.369	36%	0.36	S	S	.	.	H	α-helix	trans	-71.8	-35.5	-179.7	-71.4	-18.6	0	0	0	112.1	R284 D285 A290 K291 N292	R284-D288 PolarHBondContact O-N 3.32Å; D285-D288 PolarHBondContact O-N 3.05Å; D288-A290 VanDerWaalsContact C-N 3.33Å; D288-A290 PolarHBondContact O-N 2.85Å; D288-K291 PolarHBondContact O-N 3.48Å; D288-K291 IonicContact OD1-NZ 3.25Å; D288-K291 PolarHBondContact OD1-NZ 2.87Å; D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 3.41Å; D288-N292 PolarHBondContact O-ND2 3.08Å
289	E	91.2	Very high	87.8	Confident	63 Å²	63	71.7 Å²	71.7	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-53.9	-49.6	166.1	-177.3	-169.1	146.4	0	0	110.9	D285 N292 Y293 R307	D285-E289 PolarHBondContact O-N 2.84Å; E289-N292 PolarHBondContact O-N 2.94Å; E289-Y293 PolarHBondContact O-N 3.1Å; E289-R307 IonicContact OE1-CZ 2.65Å; E289-R307 IonicContact OE1-NE 3.69Å; E289-R307 PolarHBondContact OE1-NE 2.77Å; E289-R307 IonicContact OE1-NH2 3.29Å; E289-R307 PolarHBondContact OE1-NH2 2.83Å; E289-R307 IonicContact OE2-CZ 3.41Å; E289-R307 IonicContact OE2-NE 2.69Å; E289-R307 PolarHBondContact OE2-NE 2.74Å; E289-R307 IonicContact OE2-NH2 3.36Å; E289-R307 PolarHBondContact OE2-NH2 3.25Å
290	A	88.9	Confident	87.3	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-39.3	-180	0	0	0	0	0	112.8	L259 P260 L267 L286 V287 D288 Y293 L294	L259-A290 HydrophobicContact CB-CB 3.71Å; P260-A290 HydrophobicContact CB-CB 4.44Å; P260-A290 HydrophobicContact CG-CB 4.08Å; L267-A290 HydrophobicContact CD1-CB 4.13Å; L267-A290 HydrophobicContact CD2-CB 3.83Å; L286-A290 PolarHBondContact O-N 3.03Å; V287-A290 PolarHBondContact O-N 2.83Å; D288-A290 VanDerWaalsContact C-N 3.33Å; D288-A290 PolarHBondContact O-N 2.85Å; A290-Y293 PolarHBondContact O-N 2.97Å; A290-L294 WeakPolarHBondContact O-CG 3.26Å; A290-L294 PolarHBondContact O-N 3.15Å; A290-L294 VanDerWaalsContact O-N 3.12Å
291	K	89.7	Confident	86.4	Confident	68 Å²	68	75.3 Å²	75.3	30%	0.296	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-46.1	174.2	-73.5	174.9	-168.1	148.9	0	111.2	L267 V287 D288 Y293 L294 L295	L267-K291 HydrophobicContact CD2-CG 4.04Å; V287-K291 HydrophobicContact CG1-CD 4.48Å; V287-K291 WeakPolarHBondContact O-CG 3.44Å; V287-K291 PolarHBondContact O-N 2.96Å; D288-K291 PolarHBondContact O-N 3.48Å; D288-K291 IonicContact OD1-NZ 3.25Å; D288-K291 PolarHBondContact OD1-NZ 2.87Å; K291-Y293 VanDerWaalsContact C-N 3.33Å; K291-Y293 PolarHBondContact O-N 3.38Å; K291-L294 PolarHBondContact O-N 3.38Å; K291-L294 VanDerWaalsContact O-N 3.15Å; K291-L295 WeakPolarHBondContact O-CB 3.24Å; K291-L295 VanDerWaalsContact O-CG 3.25Å; K291-L295 WeakPolarHBondContact O-CG 3.37Å; K291-L295 PolarHBondContact O-N 3.26Å
292	N	88	Confident	85.7	Confident	83 Å²	83	76.4 Å²	76.4	44%	0.444	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-43.4	179	-71.9	-23.3	0	0	0	111.4	D288 E289 L294 L295 L296 M303	D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 3.41Å; D288-N292 PolarHBondContact O-ND2 3.08Å; E289-N292 PolarHBondContact O-N 2.94Å; N292-L294 VanDerWaalsContact C-N 3.29Å; N292-L294 PolarHBondContact O-N 2.65Å; N292-L295 PolarHBondContact O-N 2.88Å; N292-L296 WeakPolarHBondContact O-CB 3.39Å; N292-L296 PolarHBondContact O-N 3.12Å; N292-M303 HydrophobicContact CB-CE 4.14Å
293	Y	84.4	Confident	84.9	Confident	26 Å²	26	73.3 Å²	73.3	10%	0.102	37%	0.368	C	S	.	.	H	α-helix	trans	-60.1	-37.1	175.5	-175.9	-96.1	0	0	0	113.3	P260 E289 A290 K291 R300 M303 T308	P260-Y293 HydrophobicContact CB-CD1 3.56Å; P260-Y293 HydrophobicContact CB-CE1 4.13Å; P260-Y293 HydrophobicContact CB-CG 3.86Å; E289-Y293 PolarHBondContact O-N 3.1Å; A290-Y293 PolarHBondContact O-N 2.97Å; K291-Y293 VanDerWaalsContact C-N 3.33Å; K291-Y293 PolarHBondContact O-N 3.38Å; Y293-R300 HydrophobicContact CD2-CG 4.15Å; Y293-R300 HydrophobicContact CE1-CG 4.45Å; Y293-R300 HydrophobicContact CE2-CB 4.02Å; Y293-R300 HydrophobicContact CE2-CG 3.79Å; Y293-R300 PolarHBondContact O-NE 2.96Å; Y293-M303 HydrophobicContact CD2-CB 3.97Å; Y293-M303 HydrophobicContact CD2-SD 4.43Å; Y293-M303 HydrophobicContact CE2-CB 4.36Å; Y293-T308 HydrophobicContact CD1-CG2 4.5Å; Y293-T308 HydrophobicContact CD2-CG2 3.5Å; Y293-T308 VanDerWaalsContact CD2-CG2 3.5Å; Y293-T308 HydrophobicContact CE2-CG2 3.52Å; Y293-T308 HydrophobicContact CG-CG2 4.02Å
294	L	81.9	Confident	84.1	Confident	39 Å²	39	78.8 Å²	78.8	20%	0.204	39%	0.393	C	S	.	.	H	α-helix	trans	-76.1	-38.2	177.9	-70.7	172.1	0	0	0	112.5	P264 L267 A290 K291 N292 R300	P264-L294 HydrophobicContact CG-CD1 4.28Å; L267-L294 HydrophobicContact CD2-CD1 3.64Å; A290-L294 WeakPolarHBondContact O-CG 3.26Å; A290-L294 PolarHBondContact O-N 3.15Å; A290-L294 VanDerWaalsContact O-N 3.12Å; K291-L294 PolarHBondContact O-N 3.38Å; K291-L294 VanDerWaalsContact O-N 3.15Å; N292-L294 VanDerWaalsContact C-N 3.29Å; N292-L294 PolarHBondContact O-N 2.65Å; L294-R300 PolarHBondContact O-NH2 2.85Å
295	L	85.8	Confident	83.4	Confident	131 Å²	131	75.1 Å²	75.1	69%	0.686	39%	0.389	S	S	*	.	H	α-helix	trans	-76.8	-22.4	-177.8	-70.8	171.3	0	0	0	114.1	K291 N292 P297	K291-L295 WeakPolarHBondContact O-CB 3.24Å; K291-L295 VanDerWaalsContact O-CG 3.25Å; K291-L295 WeakPolarHBondContact O-CG 3.37Å; K291-L295 PolarHBondContact O-N 3.26Å; N292-L295 PolarHBondContact O-N 2.88Å; L295-P297 WeakPolarHBondContact O-CD 3.39Å
296	L	83.8	Confident	82.6	Confident	71 Å²	71	76 Å²	76	37%	0.372	40%	0.4	S	S	.	.			trans	-116.1	69.1	-177.5	-60.7	169	0	0	0	113	N292 Q298 E299 R300	N292-L296 WeakPolarHBondContact O-CB 3.39Å; N292-L296 PolarHBondContact O-N 3.12Å; L296-Q298 PolarHBondContact O-N 3.38Å; L296-Q298 VanDerWaalsContact O-N 3.17Å; L296-E299 HydrophobicContact CB-CB 4.25Å; L296-E299 PolarHBondContact O-N 3.18Å; L296-E299 VanDerWaalsContact O-N 3.15Å; L296-R300 PolarHBondContact O-N 2.81Å
297	P	73.5	Confident	82.3	Confident	76 Å²	76	78.5 Å²	78.5	49%	0.494	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.1	-178.2	-25.8	33.5	0	0	0	115.2	L295 E299	L295-P297 WeakPolarHBondContact O-CD 3.39Å; P297-E299 VanDerWaalsContact C-N 3.31Å; P297-E299 PolarHBondContact O-N 3.3Å
298	Q	72.2	Confident	81.8	Confident	190 Å²	190	78.6 Å²	78.6	89%	0.888	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-25	-177.5	-63.5	179.2	4.5	0	0	112.6	L296	L296-Q298 PolarHBondContact O-N 3.38Å; L296-Q298 VanDerWaalsContact O-N 3.17Å
299	E	79.1	Confident	81.2	Confident	99 Å²	99	80.4 Å²	80.4	46%	0.463	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.1	-178	-61.1	-172.2	179.5	0	0	113.2	L296 P297 P301 L302 M303	L296-E299 HydrophobicContact CB-CB 4.25Å; L296-E299 PolarHBondContact O-N 3.18Å; L296-E299 VanDerWaalsContact O-N 3.15Å; P297-E299 VanDerWaalsContact C-N 3.31Å; P297-E299 PolarHBondContact O-N 3.3Å; E299-P301 VanDerWaalsContact C-N 3.28Å; E299-P301 VanDerWaalsContact O-N 3.12Å; E299-L302 WeakPolarHBondContact O-CA 3.48Å; E299-L302 WeakPolarHBondContact O-CB 3.49Å; E299-L302 PolarHBondContact O-N 3.46Å; E299-M303 HydrophobicContact CB-SD 4.37Å; E299-M303 PolarHBondContact O-N 2.69Å
300	R	79.8	Confident	80.3	Confident	84 Å²	84	80.1 Å²	80.1	32%	0.317	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-49.4	-37.8	178	-69.6	-178.6	-178.1	164.2	5.2	114.8	Y293 L294 L296 L302 M303 Q304	Y293-R300 HydrophobicContact CD2-CG 4.15Å; Y293-R300 HydrophobicContact CE1-CG 4.45Å; Y293-R300 HydrophobicContact CE2-CB 4.02Å; Y293-R300 HydrophobicContact CE2-CG 3.79Å; Y293-R300 PolarHBondContact O-NE 2.96Å; L294-R300 PolarHBondContact O-NH2 2.85Å; L296-R300 PolarHBondContact O-N 2.81Å; R300-L302 PolarHBondContact O-N 3.24Å; R300-M303 PolarHBondContact O-N 2.66Å; R300-M303 VanDerWaalsContact O-N 3.13Å; R300-Q304 PolarHBondContact O-NE2 3.36Å
301	P	73.8	Confident	79.8	Confident	98 Å²	98	81 Å²	81	64%	0.636	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.9	175.9	-24.8	35.9	0	0	0	113.9	E299 Q304	E299-P301 VanDerWaalsContact C-N 3.28Å; E299-P301 VanDerWaalsContact O-N 3.12Å; P301-Q304 WeakPolarHBondContact O-CG 3.29Å
302	L	76.9	Confident	78.5	Confident	156 Å²	156	82.7 Å²	82.7	82%	0.817	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-91.3	-15.7	179	-59.1	171.2	0	0	0	112.7	E299 R300	E299-L302 WeakPolarHBondContact O-CA 3.48Å; E299-L302 WeakPolarHBondContact O-CB 3.49Å; E299-L302 PolarHBondContact O-N 3.46Å; R300-L302 PolarHBondContact O-N 3.24Å
303	M	76.9	Confident	76.8	Confident	58 Å²	58	79.3 Å²	79.3	29%	0.286	41%	0.407	S	S	.	.	S	Bend	trans	-99.9	28.8	-178.6	-57.4	176.5	76.9	0	0	112.8	N292 Y293 E299 R300 T308	N292-M303 HydrophobicContact CB-CE 4.14Å; Y293-M303 HydrophobicContact CD2-CB 3.97Å; Y293-M303 HydrophobicContact CD2-SD 4.43Å; Y293-M303 HydrophobicContact CE2-CB 4.36Å; E299-M303 HydrophobicContact CB-SD 4.37Å; E299-M303 PolarHBondContact O-N 2.69Å; R300-M303 PolarHBondContact O-N 2.66Å; R300-M303 VanDerWaalsContact O-N 3.13Å; M303-T308 WeakPolarHBondContact O-CG2 3.12Å; M303-T308 PolarHBondContact O-OG1 3.1Å
304	Q	76.6	Confident	74.9	Confident	115 Å²	115	82.1 Å²	82.1	54%	0.537	42%	0.423	S	S	.	.			trans	-77.1	134.2	-178.4	-64.9	-61.8	-56.4	0	0	111.3	R300 P301 T308	R300-Q304 PolarHBondContact O-NE2 3.36Å; P301-Q304 WeakPolarHBondContact O-CG 3.29Å; Q304-T308 WeakPolarHBondContact CA-OG1 3.23Å
305	G	79.6	Confident	73.3	Confident	31 Å²	31	87.6 Å²	87.6	32%	0.32	44%	0.441	S	S	.	.	S	Bend	trans	-168.3	178.2	-179.6	0	0	0	0	0	112	R307 T308 R309	G305-R307 PolarHBondContact O-N 3.03Å; G305-T308 PolarHBondContact N-OG1 3.26Å; G305-T308 PolarHBondContact O-N 3.21Å; G305-T308 VanDerWaalsContact O-N 3.12Å; G305-T308 PolarHBondContact O-OG1 3.12Å; G305-R309 PolarHBondContact O-N 2.95Å
306	P	77.1	Confident	71.6	Confident	114 Å²	114	83 Å²	83	74%	0.74	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.8	-178.2	-25.7	34.8	0	0	0	113.8
307	R	85.9	Confident	70.8	Confident	73 Å²	73	80 Å²	80	28%	0.275	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-18	179.9	-68.8	-177.2	-71.6	-96.7	10.3	114.7	Q255 R258 P260 E289 G305	Q255-R307 WeakPolarHBondContact O-CD 3.41Å; Q255-R307 WeakPolarHBondContact O-CG 3.36Å; R258-R307 WeakPolarHBondContact CB-O 3.46Å; P260-R307 HydrophobicContact CG-CB 4.38Å; E289-R307 IonicContact OE1-CZ 2.65Å; E289-R307 IonicContact OE1-NE 3.69Å; E289-R307 PolarHBondContact OE1-NE 2.77Å; E289-R307 IonicContact OE1-NH2 3.29Å; E289-R307 PolarHBondContact OE1-NH2 2.83Å; E289-R307 IonicContact OE2-CZ 3.41Å; E289-R307 IonicContact OE2-NE 2.69Å; E289-R307 PolarHBondContact OE2-NE 2.74Å; E289-R307 IonicContact OE2-NH2 3.36Å; E289-R307 PolarHBondContact OE2-NH2 3.25Å; G305-R307 PolarHBondContact O-N 3.03Å
308	T	81.6	Confident	71.4	Confident	6 Å²	6	79.2 Å²	79.2	4%	0.037	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-6.1	179.2	55.2	0	0	0	0	112.6	P260 Y293 M303 Q304 G305 P310	P260-T308 HydrophobicContact CB-CG2 3.82Å; P260-T308 HydrophobicContact CG-CG2 3.81Å; Y293-T308 HydrophobicContact CD1-CG2 4.5Å; Y293-T308 HydrophobicContact CD2-CG2 3.5Å; Y293-T308 VanDerWaalsContact CD2-CG2 3.5Å; Y293-T308 HydrophobicContact CE2-CG2 3.52Å; Y293-T308 HydrophobicContact CG-CG2 4.02Å; M303-T308 WeakPolarHBondContact O-CG2 3.12Å; M303-T308 PolarHBondContact O-OG1 3.1Å; Q304-T308 WeakPolarHBondContact CA-OG1 3.23Å; G305-T308 PolarHBondContact N-OG1 3.26Å; G305-T308 PolarHBondContact O-N 3.21Å; G305-T308 VanDerWaalsContact O-N 3.12Å; G305-T308 PolarHBondContact O-OG1 3.12Å; T308-P310 WeakPolarHBondContact O-CD 3.25Å
309	R	78.4	Confident	72.3	Confident	108 Å²	108	70.4 Å²	70.4	41%	0.408	35%	0.354	S	S	.	.	S	Bend	trans	-82.3	122.4	172.6	-170.6	-168.4	-166.2	171.7	21.4	110.4	D221 R258 G305 K312	D221-R309 IonicContact OD2-CZ 2.76Å; D221-R309 IonicContact OD2-NE 3.42Å; D221-R309 IonicContact OD2-NH1 3.45Å; D221-R309 PolarHBondContact OD2-NH1 3Å; R258-R309 WeakPolarHBondContact CD-O 3.37Å; R258-R309 PolarHBondContact NH1-O 3.28Å; G305-R309 PolarHBondContact O-N 2.95Å; R309-K312 VanDerWaalsContact CZ-CE 3.49Å; R309-K312 VanDerWaalsContact NH2-NZ 3.16Å
310	P	72.6	Confident	72.9	Confident	57 Å²	57	65.7 Å²	65.7	37%	0.37	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-58.1	146.9	171	-23.6	34.4	0	0	0	112.8	R258 L261 T308 K312	R258-P310 PolarHBondContact NH1-O 2.99Å; L261-P310 VanDerWaalsContact CD1-CA 3.43Å; L261-P310 HydrophobicContact CD1-CB 4.13Å; L261-P310 HydrophobicContact CD1-CG 4.17Å; L261-P310 HydrophobicContact CD2-CG 4.28Å; T308-P310 WeakPolarHBondContact O-CD 3.25Å; P310-K312 PolarHBondContact O-N 3.32Å
311	R	78.1	Confident	73.7	Confident	17 Å²	17	61.7 Å²	61.7	6%	0.064	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-56	139.8	169.2	-68.8	-173.6	-164.2	-87	-6	108.5	I218 S220 D221 E228 H256 R258 P313	I218-R311 VanDerWaalsContact O-CZ 3.29Å; I218-R311 PolarHBondContact O-NH1 2.91Å; I218-R311 PolarHBondContact O-NH2 3.3Å; S220-R311 PolarHBondContact O-NH1 3.04Å; D221-R311 CarbonylContact O-C 3.58Å; E228-R311 VanDerWaalsContact OE1-CD 3.32Å; E228-R311 WeakPolarHBondContact OE1-CD 3.45Å; E228-R311 WeakPolarHBondContact OE1-CG 3.41Å; E228-R311 IonicContact OE1-CZ 2.71Å; E228-R311 IonicContact OE1-NE 3.73Å; E228-R311 PolarHBondContact OE1-NE 2.88Å; E228-R311 IonicContact OE1-NH2 2.69Å; E228-R311 IonicContact OE2-CZ 2.89Å; E228-R311 IonicContact OE2-NE 3.54Å; E228-R311 IonicContact OE2-NH2 3.36Å; E228-R311 PolarHBondContact OE2-NH2 2.96Å; H256-R311 PolarHBondContact O-NH2 3.32Å; R258-R311 VanDerWaalsContact NH1-CA 3.31Å; R258-R311 VanDerWaalsContact NH1-N 3.13Å; R311-P313 WeakPolarHBondContact O-CD 3.46Å
312	K	61.8	Low	74.6	Confident	105 Å²	105	57.2 Å²	57.2	46%	0.457	29%	0.288	S	S	.	.			trans	-85.5	99.3	170.6	-67.7	-179.3	-177.7	176.5	0	105.7	D221 R309 P310 I314	D221-K312 CarbonylContact O-C 3.58Å; D221-K312 PolarHBondContact O-N 2.9Å; R309-K312 VanDerWaalsContact CZ-CE 3.49Å; R309-K312 VanDerWaalsContact NH2-NZ 3.16Å; P310-K312 PolarHBondContact O-N 3.32Å; K312-I314 PolarHBondContact O-N 2.86Å
313	P	51.9	Low	75.5	Confident	11 Å²	11	49.8 Å²	49.8	7%	0.071	25%	0.249	C	C	.	.			trans	-53.4	127.4	165.6	25.6	-33.5	0	0	0	106.5	R311 R315 C316 C604	R311-P313 WeakPolarHBondContact O-CD 3.46Å; P313-R315 WeakPolarHBondContact CB-O 3.32Å; P313-R315 CarbonylContact O-C 3.59Å; P313-R315 WeakPolarHBondContact O-CA 3.43Å; P313-R315 PolarHBondContact O-N 2.9Å; P313-C316 PolarHBondContact O-N 3.45Å; P313-C316 VanDerWaalsContact O-N 3.12Å; P313-C604 HydrophobicContact CG-CB 4.05Å
314	I	46.1	Very low	76.2	Confident	85 Å²	85	47 Å²	47	44%	0.436	24%	0.236	S	C	.	.	S	Bend	trans	-49.5	-24	-177.2	-67.2	161.2	0	0	0	110.9	Q194 E222 K312	Q194-I314 HydrophobicContact CB-CD1 4.35Å; E222-I314 HydrophobicContact CB-CD1 3.85Å; E222-I314 HydrophobicContact CB-CG1 3.52Å; E222-I314 HydrophobicContact CG-CG1 3.86Å; E222-I314 VanDerWaalsContact O-CD1 3.28Å; E222-I314 WeakPolarHBondContact O-CD1 3.44Å; E222-I314 WeakPolarHBondContact O-CG1 3.31Å; K312-I314 PolarHBondContact O-N 2.86Å
315	R	46.9	Very low	76.8	Confident	155 Å²	155	41.5 Å²	41.5	59%	0.585	21%	0.21	S	C	*	.			trans	-122	107.9	158.8	-58.1	178.1	-164.8	-169.3	4.1	108	P313 G317 Q341	P313-R315 WeakPolarHBondContact CB-O 3.32Å; P313-R315 CarbonylContact O-C 3.59Å; P313-R315 WeakPolarHBondContact O-CA 3.43Å; P313-R315 PolarHBondContact O-N 2.9Å; R315-G317 PolarHBondContact O-N 3.21Å; R315-Q341 PolarHBondContact O-NE2 2.88Å
316	C	51.4	Low	77.1	Confident	35 Å²	35	43.5 Å²	43.5	24%	0.236	21%	0.208	C	C	.	.			trans	-63.6	101.1	144	-60	0	0	0	0	104.5	P313 M601	P313-C316 PolarHBondContact O-N 3.45Å; P313-C316 VanDerWaalsContact O-N 3.12Å; C316-M601 WeakPolarHBondContact CB-O 3.11Å
317	G	67.4	Low	77.2	Confident	7 Å²	7	39.2 Å²	39.2	7%	0.072	18%	0.18	C	C	.	.			trans	-60.1	142.3	-174.4	0	0	0	0	0	109.4	R315 V319 N553 M601	R315-G317 PolarHBondContact O-N 3.21Å; G317-V319 PolarHBondContact O-N 3.36Å; G317-N553 WeakPolarHBondContact CA-OD1 3.32Å; G317-M601 PolarHBondContact O-N 3.19Å
318	E	84.9	Confident	76.8	Confident	59 Å²	59	41.2 Å²	41.2	28%	0.276	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	130.9	154.5	-75	172.2	171.4	0	0	107.8	P340 V552 N553 V598 I599 K600	E318-P340 WeakPolarHBondContact O-CD 3.49Å; E318-V552 HydrophobicContact CB-CG1 3.74Å; E318-V552 WeakPolarHBondContact O-CG1 3.29Å; E318-V552 WeakPolarHBondContact OE2-CA 3.32Å; E318-N553 PolarHBondContact N-OD1 2.97Å; E318-N553 PolarHBondContact O-ND2 2.97Å; E318-N553 PolarHBondContact OE2-N 3.45Å; E318-V598 HydrophobicContact CB-CG1 3.58Å; E318-V598 HydrophobicContact CG-CG1 3.85Å; E318-I599 WeakPolarHBondContact CA-O 3.26Å; E318-K600 HydrophobicContact CG-CB 4.39Å
319	V	90.5	Very high	76.6	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	150.2	168.3	-63.6	0	0	0	0	108.8	G317 F321 R337 Y338 V598 I599 M601	G317-V319 PolarHBondContact O-N 3.36Å; V319-F321 HydrophobicContact CG2-CD2 4.18Å; V319-F321 HydrophobicContact CG2-CE2 3.42Å; V319-F321 VanDerWaalsContact CG2-CE2 3.42Å; V319-F321 HydrophobicContact CG2-CZ 4.06Å; V319-R337 HydrophobicContact CB-CG 4.06Å; V319-R337 HydrophobicContact CG2-CG 4.2Å; V319-Y338 WeakPolarHBondContact CA-O 3.29Å; V319-Y338 WeakPolarHBondContact CB-O 3.36Å; V319-V598 WeakPolarHBondContact O-CA 3.47Å; V319-I599 HydrophobicContact CG2-CB 4.38Å; V319-I599 PolarHBondContact N-O 2.73Å; V319-I599 PolarHBondContact O-N 3.19Å; V319-M601 HydrophobicContact CB-CE 4.4Å; V319-M601 HydrophobicContact CG1-CE 4.26Å; V319-M601 HydrophobicContact CG1-CG 3.95Å; V319-M601 HydrophobicContact CG2-CE 3.33Å; V319-M601 HydrophobicContact CG2-CG 4Å; V319-M601 HydrophobicContact CG2-SD 4.38Å
320	L	93.2	Very high	76.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.6	178.8	174.2	115	0	0	0	109.8	R337 Y338 W345 A550 V552 V559 V596 V598	L320-R337 CarbonylContact O-C 3.12Å; L320-R337 WeakPolarHBondContact O-CA 3.39Å; L320-Y338 HydrophobicContact CB-CD1 4.49Å; L320-Y338 PolarHBondContact N-O 2.92Å; L320-Y338 VanDerWaalsContact N-O 3.12Å; L320-Y338 PolarHBondContact O-N 3.27Å; L320-W345 HydrophobicContact CD2-CH2 3.48Å; L320-W345 VanDerWaalsContact CD2-CH2 3.48Å; L320-W345 HydrophobicContact CD2-CZ2 4.08Å; L320-W345 HydrophobicContact CD2-CZ3 4.28Å; L320-A550 HydrophobicContact CD1-CB 3.56Å; L320-V552 HydrophobicContact CB-CG2 3.86Å; L320-V552 HydrophobicContact CD1-CG2 3.71Å; L320-V552 HydrophobicContact CG-CG2 4.39Å; L320-V559 HydrophobicContact CD1-CG2 4.47Å; L320-V559 HydrophobicContact CD2-CG1 4.45Å; L320-V559 HydrophobicContact CD2-CG2 3.84Å; L320-V596 HydrophobicContact CD1-CB 4.2Å; L320-V596 HydrophobicContact CD1-CG1 4.48Å; L320-V598 HydrophobicContact CD1-CG2 4.05Å
321	F	95.1	Very high	77.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.5	172.6	-69.3	-93.9	0	0	0	110.1	V319 V323 V335 E336 R337 V348 L367 Y385 P387 V596 G597 I599 M601	V319-F321 HydrophobicContact CG2-CD2 4.18Å; V319-F321 HydrophobicContact CG2-CE2 3.42Å; V319-F321 VanDerWaalsContact CG2-CE2 3.42Å; V319-F321 HydrophobicContact CG2-CZ 4.06Å; F321-V323 HydrophobicContact CB-CG2 4.29Å; F321-V335 HydrophobicContact CD1-CG1 4.14Å; F321-E336 CarbonylContact C-O 3.56Å; F321-E336 VanDerWaalsContact CA-O 3.29Å; F321-E336 WeakPolarHBondContact CA-O 3.3Å; F321-R337 HydrophobicContact CD1-CB 4.05Å; F321-R337 HydrophobicContact CD1-CG 4.23Å; F321-R337 HydrophobicContact CE1-CB 3.79Å; F321-R337 HydrophobicContact CE1-CG 3.76Å; F321-R337 HydrophobicContact CE2-CG 4.24Å; F321-R337 HydrophobicContact CZ-CB 4.33Å; F321-R337 HydrophobicContact CZ-CG 3.77Å; F321-V348 HydrophobicContact CD1-CG2 4.23Å; F321-V348 HydrophobicContact CE1-CG1 4.35Å; F321-V348 HydrophobicContact CE1-CG2 4.15Å; F321-L367 HydrophobicContact CB-CD2 3.64Å; F321-L367 HydrophobicContact CD1-CD2 4.22Å; F321-L367 HydrophobicContact CD2-CD2 4.46Å; F321-L367 HydrophobicContact CG-CD2 3.87Å; F321-Y385 HydrophobicContact CD1-CE1 4.29Å; F321-Y385 HydrophobicContact CE1-CD1 4.38Å; F321-Y385 AromaticContact CE1-CE1 3.57Å; F321-Y385 HydrophobicContact CE1-CE1 3.57Å; F321-Y385 AromaticContact CZ-CE1 3.9Å; F321-Y385 HydrophobicContact CZ-CE1 3.9Å; F321-P387 HydrophobicContact CZ-CB 4.34Å; F321-P387 HydrophobicContact CZ-CG 4.38Å; F321-V596 VanDerWaalsContact O-CA 3.24Å; F321-V596 WeakPolarHBondContact O-CA 3.45Å; F321-G597 PolarHBondContact N-O 3.36Å; F321-G597 PolarHBondContact O-N 2.93Å; F321-I599 HydrophobicContact CD2-CD1 3.81Å; F321-I599 HydrophobicContact CD2-CG1 4.03Å; F321-I599 HydrophobicContact CE2-CB 4.1Å; F321-I599 HydrophobicContact CE2-CD1 3.46Å; F321-I599 VanDerWaalsContact CE2-CD1 3.46Å; F321-I599 HydrophobicContact CE2-CG1 3.89Å; F321-I599 HydrophobicContact CZ-CD1 4.22Å; F321-M601 HydrophobicContact CE2-CE 4.48Å; F321-M601 HydrophobicContact CZ-CE 4.28Å
322	A	94.1	Very high	78.4	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.033	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.4	168.4	0	0	0	0	0	109	V335 E336 W345 M587	A322-V335 WeakPolarHBondContact O-CA 3.44Å; A322-E336 PolarHBondContact N-O 3.11Å; A322-E336 PolarHBondContact O-N 3.48Å; A322-W345 HydrophobicContact CB-CH2 4.03Å; A322-W345 HydrophobicContact CB-CZ3 3.81Å; A322-M587 HydrophobicContact CB-SD 3.79Å
323	V	95.1	Very high	79.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.1	-167	-175.4	0	0	0	0	110.5	F321 V335 M351 V358 V360 L367 A369 W392 G594 G595	F321-V323 HydrophobicContact CB-CG2 4.29Å; V323-V335 HydrophobicContact CG1-CG2 4.09Å; V323-V335 HydrophobicContact CG2-CG1 4Å; V323-M351 HydrophobicContact CG1-CE 3.74Å; V323-M351 HydrophobicContact CG1-CG 4.45Å; V323-M351 HydrophobicContact CG1-SD 3.46Å; V323-M351 WeakPolarHBondContact CG1-SD 3.46Å; V323-V358 WeakPolarHBondContact O-CG1 3.18Å; V323-V360 HydrophobicContact CB-CG2 3.93Å; V323-V360 HydrophobicContact CG1-CG2 4.23Å; V323-V360 HydrophobicContact CG2-CG1 4.12Å; V323-V360 HydrophobicContact CG2-CG2 4.27Å; V323-L367 HydrophobicContact CG2-CD2 3.56Å; V323-L367 HydrophobicContact CG2-CG 4.3Å; V323-A369 HydrophobicContact CG1-CB 4.4Å; V323-W392 HydrophobicContact CG1-CH2 4.06Å; V323-W392 HydrophobicContact CG1-CZ2 4.34Å; V323-G594 CarbonylContact O-C 3.56Å; V323-G594 VanDerWaalsContact O-CA 3.24Å; V323-G594 WeakPolarHBondContact O-CA 3.39Å; V323-G595 PolarHBondContact N-O 3.47Å; V323-G595 PolarHBondContact O-N 3.2Å
324	G	92.6	Very high	81.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.			trans	60.8	-151.5	174.8	0	0	0	0	0	113.7	I332 S334 R591	G324-I332 WeakPolarHBondContact CA-O 3.39Å; G324-S334 PolarHBondContact N-O 3Å; G324-S334 VanDerWaalsContact N-O 3.11Å; G324-R591 PolarHBondContact O-NH1 3.45Å
325	G	89.3	Confident	84.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.			trans	119.6	-165.2	-178.9	0	0	0	0	0	112.7	A331 I332 R355 C356 L592	G325-A331 WeakPolarHBondContact O-CA 3.28Å; G325-I332 WeakPolarHBondContact O-CG1 3.15Å; G325-I332 PolarHBondContact O-N 2.93Å; G325-R355 PolarHBondContact N-O 3.44Å; G325-C356 WeakPolarHBondContact O-CB 3.47Å; G325-L592 CarbonylContact C-O 3.58Å; G325-L592 VanDerWaalsContact CA-O 3.28Å; G325-L592 WeakPolarHBondContact CA-O 3.39Å
326	W	84.6	Confident	86.4	Confident	73 Å²	73	25.3 Å²	25.3	28%	0.277	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.7	177.2	-169.2	-83.9	0	0	0	109.9	G329 D330 A331 C356 L592	W326-G329 VanDerWaalsContact CZ2-O 3.26Å; W326-G329 WeakPolarHBondContact CZ2-O 3.45Å; W326-D330 WeakPolarHBondContact CA-O 3.41Å; W326-A331 HydrophobicContact CE3-CB 4.45Å; W326-C356 HydrophobicContact CB-CB 4.17Å; W326-C356 HydrophobicContact CE3-CB 3.9Å; W326-C356 VanDerWaalsContact CE3-SG 3.57Å; W326-L592 HydrophobicContact CB-CB 4.45Å; W326-L592 PolarHBondContact N-O 2.82Å; W326-L592 PolarHBondContact O-N 2.57Å
327	C	80.1	Confident	88.3	Confident	23 Å²	23	25 Å²	25	16%	0.155	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.5	177.1	-173.4	0	0	0	0	110	G329 D330 I332 R590	C327-G329 PolarHBondContact O-N 3.18Å; C327-G329 VanDerWaalsContact O-N 3.08Å; C327-D330 PolarHBondContact N-O 2.87Å; C327-D330 PolarHBondContact O-N 3.28Å; C327-D330 VanDerWaalsContact O-N 3.12Å; C327-I332 HydrophobicContact CB-CD1 4.38Å; C327-I332 HydrophobicContact CB-CG2 4.01Å; C327-R590 WeakPolarHBondContact CB-O 3.5Å
328	S	76.5	Confident	89.4	Confident	115 Å²	115	25 Å²	25	80%	0.804	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	32.1	172.5	-54.7	0	0	0	0	115.8
329	G	78.6	Confident	89.5	Confident	52 Å²	52	23.6 Å²	23.6	54%	0.536	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	2.1	176.6	0	0	0	0	0	115.3	W326 C327	W326-G329 VanDerWaalsContact CZ2-O 3.26Å; W326-G329 WeakPolarHBondContact CZ2-O 3.45Å; C327-G329 PolarHBondContact O-N 3.18Å; C327-G329 VanDerWaalsContact O-N 3.08Å
330	D	84.6	Confident	88.9	Confident	77 Å²	77	24.8 Å²	24.8	41%	0.412	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.6	178.4	-158.9	2.8	0	0	0	112.3	W326 C327	W326-D330 WeakPolarHBondContact CA-O 3.41Å; C327-D330 PolarHBondContact N-O 2.87Å; C327-D330 PolarHBondContact O-N 3.28Å; C327-D330 VanDerWaalsContact O-N 3.12Å
331	A	90.3	Very high	88.1	Confident	2 Å²	2	29 Å²	29	2%	0.017	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145.2	168.6	0	0	0	0	0	109.7	G325 W326 R354 C356	G325-A331 WeakPolarHBondContact O-CA 3.28Å; W326-A331 HydrophobicContact CE3-CB 4.45Å; A331-R354 HydrophobicContact CB-CB 3.99Å; A331-R354 WeakPolarHBondContact O-CD 3.39Å; A331-R354 WeakPolarHBondContact O-CG 3.32Å; A331-C356 HydrophobicContact CB-CB 4.19Å
332	I	91.3	Very high	87.1	Confident	29 Å²	29	31.9 Å²	31.9	15%	0.149	19%	0.191	C	C	.	.			trans	-115.4	147.8	-179.5	62.2	-179.7	0	0	0	111.4	G324 G325 C327 R355 R591	G324-I332 WeakPolarHBondContact CA-O 3.39Å; G325-I332 WeakPolarHBondContact O-CG1 3.15Å; G325-I332 PolarHBondContact O-N 2.93Å; C327-I332 HydrophobicContact CB-CD1 4.38Å; C327-I332 HydrophobicContact CB-CG2 4.01Å; I332-R355 PolarHBondContact O-N 3.34Å; I332-R355 VanDerWaalsContact O-N 3.1Å; I332-R591 HydrophobicContact CD1-CG 4.14Å
333	S	93.7	Very high	86.3	Confident	33 Å²	33	35.4 Å²	35.4	23%	0.231	21%	0.209	C	C	.	.			trans	-99.9	-6.7	172.1	56.5	0	0	0	0	112.9	S350 M351 K353	S333-S350 WeakPolarHBondContact O-CA 3.3Å; S333-S350 WeakPolarHBondContact O-CB 3.33Å; S333-M351 WeakPolarHBondContact CB-O 2.84Å; S333-M351 PolarHBondContact O-N 2.77Å; S333-K353 WeakPolarHBondContact CB-O 3.01Å
334	S	93.3	Very high	85.7	Confident	17 Å²	17	39.6 Å²	39.6	12%	0.119	23%	0.229	C	C	.	.			trans	-66.8	150.2	-176.3	62.9	0	0	0	0	111.9	G324 R591	G324-S334 PolarHBondContact N-O 3Å; G324-S334 VanDerWaalsContact N-O 3.11Å; S334-R591 PolarHBondContact O-NH1 3.46Å; S334-R591 PolarHBondContact O-NH2 3.33Å; S334-R591 PolarHBondContact OG-NH2 2.81Å
335	V	94.9	Very high	85.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.3	-179.8	-175	0	0	0	0	108.3	F321 A322 V323 V348 M351 W392	F321-V335 HydrophobicContact CD1-CG1 4.14Å; A322-V335 WeakPolarHBondContact O-CA 3.44Å; V323-V335 HydrophobicContact CG1-CG2 4.09Å; V323-V335 HydrophobicContact CG2-CG1 4Å; V335-V348 HydrophobicContact CB-CG2 3.69Å; V335-V348 HydrophobicContact CG1-CG2 3.54Å; V335-V348 PolarHBondContact O-N 2.86Å; V335-M351 HydrophobicContact CG2-CG 4.17Å; V335-W392 HydrophobicContact CG1-CZ2 4.42Å; V335-W392 HydrophobicContact CG2-CZ2 3.73Å
336	E	92.8	Very high	85.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.7	179.6	-72	173.1	-103.3	0	0	110.1	F321 A322 W345 R346 M347 N588 Y589 R591	F321-E336 CarbonylContact C-O 3.56Å; F321-E336 VanDerWaalsContact CA-O 3.29Å; F321-E336 WeakPolarHBondContact CA-O 3.3Å; A322-E336 PolarHBondContact N-O 3.11Å; A322-E336 PolarHBondContact O-N 3.48Å; E336-W345 HydrophobicContact CB-CE3 3.63Å; E336-W345 HydrophobicContact CB-CZ3 3.87Å; E336-R346 CarbonylContact C-O 3.48Å; E336-R346 WeakPolarHBondContact CA-O 3.48Å; E336-M347 HydrophobicContact CG-SD 3.43Å; E336-M347 WeakPolarHBondContact CG-SD 3.4Å; E336-N588 WeakPolarHBondContact OE2-CA 3.27Å; E336-N588 VanDerWaalsContact OE2-CB 3.29Å; E336-N588 WeakPolarHBondContact OE2-CB 3.47Å; E336-N588 PolarHBondContact OE2-N 2.95Å; E336-N588 PolarHBondContact OE2-ND2 2.99Å; E336-Y589 PolarHBondContact OE1-N 2.97Å; E336-R591 IonicContact OE1-CZ 2.68Å; E336-R591 IonicContact OE1-NE 3.55Å; E336-R591 PolarHBondContact OE1-NE 3.34Å; E336-R591 IonicContact OE1-NH2 2.82Å; E336-R591 PolarHBondContact OE1-NH2 3.47Å
337	R	92.3	Very high	85.7	Confident	28 Å²	28	46.8 Å²	46.8	11%	0.106	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.7	174.5	-172.3	-172.2	82.5	160.4	7.6	109.1	V319 L320 F321 W345 R346 V348 E605	V319-R337 HydrophobicContact CB-CG 4.06Å; V319-R337 HydrophobicContact CG2-CG 4.2Å; L320-R337 CarbonylContact O-C 3.12Å; L320-R337 WeakPolarHBondContact O-CA 3.39Å; F321-R337 HydrophobicContact CD1-CB 4.05Å; F321-R337 HydrophobicContact CD1-CG 4.23Å; F321-R337 HydrophobicContact CE1-CB 3.79Å; F321-R337 HydrophobicContact CE1-CG 3.76Å; F321-R337 HydrophobicContact CE2-CG 4.24Å; F321-R337 HydrophobicContact CZ-CB 4.33Å; F321-R337 HydrophobicContact CZ-CG 3.77Å; R337-W345 WeakPolarHBondContact O-CA 3.12Å; R337-R346 PolarHBondContact N-O 3.19Å; R337-R346 PolarHBondContact O-N 3.46Å; R337-V348 HydrophobicContact CB-CG1 3.78Å; R337-E605 IonicContact NH1-OE2 2.82Å
338	Y	90.3	Very high	86.3	Confident	9 Å²	9	46.5 Å²	46.5	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.7	170.1	179.6	-116.9	0	0	0	110.2	V319 L320 P340 N343 E344 W345 M557	V319-Y338 WeakPolarHBondContact CA-O 3.29Å; V319-Y338 WeakPolarHBondContact CB-O 3.36Å; L320-Y338 HydrophobicContact CB-CD1 4.49Å; L320-Y338 PolarHBondContact N-O 2.92Å; L320-Y338 VanDerWaalsContact N-O 3.12Å; L320-Y338 PolarHBondContact O-N 3.27Å; Y338-P340 HydrophobicContact CD1-CG 3.89Å; Y338-P340 HydrophobicContact CE1-CB 3.89Å; Y338-P340 HydrophobicContact CE1-CG 3.71Å; Y338-N343 WeakPolarHBondContact CE2-OD1 3.4Å; Y338-N343 PolarHBondContact OH-OD1 2.93Å; Y338-E344 WeakPolarHBondContact CA-O 3.48Å; Y338-W345 AromaticContact CD2-CD1 3.64Å; Y338-W345 AromaticContact CD2-CD2 3.96Å; Y338-W345 HydrophobicContact CD2-CD2 3.96Å; Y338-W345 AromaticContact CD2-CE2 3.56Å; Y338-W345 HydrophobicContact CD2-CG 4.06Å; Y338-W345 HydrophobicContact CD2-CZ2 4.16Å; Y338-W345 AromaticContact CD2-NE1 3.26Å; Y338-W345 VanDerWaalsContact CD2-NE1 3.26Å; Y338-W345 AromaticContact CE2-NE1 3.8Å; Y338-W345 HydrophobicContact CG-CD2 4.25Å; Y338-W345 AromaticContact CG-CE2 3.81Å; Y338-W345 AromaticContact CG-CZ2 3.96Å; Y338-W345 HydrophobicContact CG-CZ2 3.96Å; Y338-W345 AromaticContact CG-NE1 3.99Å; Y338-M557 HydrophobicContact CD1-CE 4.3Å; Y338-M557 HydrophobicContact CD1-SD 4.4Å; Y338-M557 HydrophobicContact CE1-CE 3.54Å; Y338-M557 HydrophobicContact CE1-SD 4.04Å
339	D	85.7	Confident	87.1	Confident	28 Å²	28	42.4 Å²	42.4	15%	0.15	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.5	169.5	-173.5	-20.7	0	0	0	109.4	Q341 T342 N343 E344	D339-Q341 PolarHBondContact O-N 3.32Å; D339-Q341 WeakPolarHBondContact OD1-CB 3.43Å; D339-Q341 PolarHBondContact OD1-N 3.27Å; D339-T342 WeakPolarHBondContact CB-OG1 3.15Å; D339-T342 PolarHBondContact O-N 3.45Å; D339-N343 VanDerWaalsContact O-CA 3.29Å; D339-N343 WeakPolarHBondContact O-CA 3.35Å; D339-N343 PolarHBondContact O-N 3.38Å; D339-E344 PolarHBondContact N-O 3.29Å; D339-E344 PolarHBondContact O-N 3Å
340	P	79.4	Confident	87.9	Confident	31 Å²	31	42.8 Å²	42.8	20%	0.201	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.9	179.5	-20.3	31.8	0	0	0	114.3	E318 Y338 V552 N553	E318-P340 WeakPolarHBondContact O-CD 3.49Å; Y338-P340 HydrophobicContact CD1-CG 3.89Å; Y338-P340 HydrophobicContact CE1-CB 3.89Å; Y338-P340 HydrophobicContact CE1-CG 3.71Å; P340-V552 HydrophobicContact CG-CB 4.48Å; P340-V552 HydrophobicContact CG-CG1 3.5Å; P340-V552 VanDerWaalsContact CG-CG1 3.5Å; P340-N553 WeakPolarHBondContact CG-ND2 3.14Å
341	Q	75.3	Confident	88.5	Confident	89 Å²	89	39.4 Å²	39.4	42%	0.416	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-39.3	-179.7	-59.8	-173.1	-5.7	0	0	111.4	R315 D339	R315-Q341 PolarHBondContact O-NE2 2.88Å; D339-Q341 PolarHBondContact O-N 3.32Å; D339-Q341 WeakPolarHBondContact OD1-CB 3.43Å; D339-Q341 PolarHBondContact OD1-N 3.27Å
342	T	74.4	Confident	88.6	Confident	60 Å²	60	43.4 Å²	43.4	37%	0.368	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.1	177.4	62.3	0	0	0	0	112.8	D339 E344	D339-T342 WeakPolarHBondContact CB-OG1 3.15Å; D339-T342 PolarHBondContact O-N 3.45Å; T342-E344 PolarHBondContact O-N 3.33Å; T342-E344 WeakPolarHBondContact OG1-CB 3.38Å; T342-E344 PolarHBondContact OG1-N 3.34Å
343	N	77.6	Confident	88.7	Confident	78 Å²	78	46.3 Å²	46.3	42%	0.417	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	33.8	-171.5	-168.5	40.2	0	0	0	112.7	Y338 D339	Y338-N343 WeakPolarHBondContact CE2-OD1 3.4Å; Y338-N343 PolarHBondContact OH-OD1 2.93Å; D339-N343 VanDerWaalsContact O-CA 3.29Å; D339-N343 WeakPolarHBondContact O-CA 3.35Å; D339-N343 PolarHBondContact O-N 3.38Å
344	E	82.9	Confident	88.7	Confident	88 Å²	88	51.2 Å²	51.2	41%	0.411	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.3	-178.4	-67.4	-176.8	167	0	0	112.5	Y338 D339 T342 R346	Y338-E344 WeakPolarHBondContact CA-O 3.48Å; D339-E344 PolarHBondContact N-O 3.29Å; D339-E344 PolarHBondContact O-N 3Å; T342-E344 PolarHBondContact O-N 3.33Å; T342-E344 WeakPolarHBondContact OG1-CB 3.38Å; T342-E344 PolarHBondContact OG1-N 3.34Å; E344-R346 IonicContact OE2-CZ 2.74Å; E344-R346 IonicContact OE2-NE 3.42Å; E344-R346 PolarHBondContact OE2-NE 3.3Å; E344-R346 IonicContact OE2-NH2 2.84Å; E344-R346 PolarHBondContact OE2-NH2 3.32Å
345	W	87.8	Confident	88.8	Confident	25 Å²	25	50.4 Å²	50.4	10%	0.095	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.3	168.2	-74.8	90.6	0	0	0	110.5	L320 A322 E336 R337 Y338 V559 I571 M587 N588	L320-W345 HydrophobicContact CD2-CH2 3.48Å; L320-W345 VanDerWaalsContact CD2-CH2 3.48Å; L320-W345 HydrophobicContact CD2-CZ2 4.08Å; L320-W345 HydrophobicContact CD2-CZ3 4.28Å; A322-W345 HydrophobicContact CB-CH2 4.03Å; A322-W345 HydrophobicContact CB-CZ3 3.81Å; E336-W345 HydrophobicContact CB-CE3 3.63Å; E336-W345 HydrophobicContact CB-CZ3 3.87Å; R337-W345 WeakPolarHBondContact O-CA 3.12Å; Y338-W345 AromaticContact CD2-CD1 3.64Å; Y338-W345 AromaticContact CD2-CD2 3.96Å; Y338-W345 HydrophobicContact CD2-CD2 3.96Å; Y338-W345 AromaticContact CD2-CE2 3.56Å; Y338-W345 HydrophobicContact CD2-CG 4.06Å; Y338-W345 HydrophobicContact CD2-CZ2 4.16Å; Y338-W345 AromaticContact CD2-NE1 3.26Å; Y338-W345 VanDerWaalsContact CD2-NE1 3.26Å; Y338-W345 AromaticContact CE2-NE1 3.8Å; Y338-W345 HydrophobicContact CG-CD2 4.25Å; Y338-W345 AromaticContact CG-CE2 3.81Å; Y338-W345 AromaticContact CG-CZ2 3.96Å; Y338-W345 HydrophobicContact CG-CZ2 3.96Å; Y338-W345 AromaticContact CG-NE1 3.99Å; W345-V559 HydrophobicContact CH2-CG1 4.03Å; W345-V559 HydrophobicContact CZ2-CG1 4.26Å; W345-I571 HydrophobicContact CZ2-CD1 3.35Å; W345-I571 HydrophobicContact CZ2-CG1 4.06Å; W345-I571 VanDerWaalsContact NE1-CD1 3.29Å; W345-M587 HydrophobicContact CD2-CB 4.35Å; W345-M587 HydrophobicContact CD2-CG 3.77Å; W345-M587 HydrophobicContact CE3-CG 3.87Å; W345-M587 HydrophobicContact CH2-CG 3.41Å; W345-M587 VanDerWaalsContact CH2-CG 3.41Å; W345-M587 HydrophobicContact CH2-SD 3.86Å; W345-M587 HydrophobicContact CZ2-CG 3.37Å; W345-M587 HydrophobicContact CZ2-SD 4.28Å; W345-M587 HydrophobicContact CZ3-CG 3.7Å; W345-M587 HydrophobicContact CZ3-SD 4.24Å; W345-N588 PolarHBondContact O-ND2 3.08Å
346	R	88.3	Confident	88.6	Confident	112 Å²	112	51.2 Å²	51.2	42%	0.423	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.5	178	-60.7	-174.5	-175.4	-172.3	0.6	110.7	E336 R337 E344	E336-R346 CarbonylContact C-O 3.48Å; E336-R346 WeakPolarHBondContact CA-O 3.48Å; R337-R346 PolarHBondContact N-O 3.19Å; R337-R346 PolarHBondContact O-N 3.46Å; E344-R346 IonicContact OE2-CZ 2.74Å; E344-R346 IonicContact OE2-NE 3.42Å; E344-R346 PolarHBondContact OE2-NE 3.3Å; E344-R346 IonicContact OE2-NH2 2.84Å; E344-R346 PolarHBondContact OE2-NH2 3.32Å
347	M	89.6	Confident	88.6	Confident	86 Å²	86	51.9 Å²	51.9	42%	0.424	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.7	170.9	-66.2	-66.4	-63.2	0	0	109.2	E336 Y589	E336-M347 HydrophobicContact CG-SD 3.43Å; E336-M347 WeakPolarHBondContact CG-SD 3.4Å; M347-Y589 HydrophobicContact CE-CE2 4.05Å; M347-Y589 HydrophobicContact SD-CD2 3.94Å; M347-Y589 HydrophobicContact SD-CE2 3.71Å
348	V	93.6	Very high	88.7	Confident	18 Å²	18	51 Å²	51	11%	0.109	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	179.5	170.3	-61.5	0	0	0	0	109.3	F321 V335 R337 S350 N390	F321-V348 HydrophobicContact CD1-CG2 4.23Å; F321-V348 HydrophobicContact CE1-CG1 4.35Å; F321-V348 HydrophobicContact CE1-CG2 4.15Å; V335-V348 HydrophobicContact CB-CG2 3.69Å; V335-V348 HydrophobicContact CG1-CG2 3.54Å; V335-V348 PolarHBondContact O-N 2.86Å; R337-V348 HydrophobicContact CB-CG1 3.78Å; V348-S350 PolarHBondContact O-N 2.84Å; V348-N390 WeakPolarHBondContact CB-OD1 3.33Å
349	A	93.1	Very high	89.1	Confident	29 Å²	29	50.7 Å²	50.7	24%	0.24	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-54	136	179.6	0	0	0	0	0	110.6	Y385 N390 W392	A349-Y385 HydrophobicContact CB-CE2 4.31Å; A349-N390 WeakPolarHBondContact CB-O 3.47Å; A349-N390 WeakPolarHBondContact CB-OD1 3.38Å; A349-N390 PolarHBondContact N-OD1 3.01Å; A349-W392 PolarHBondContact O-NE1 3.03Å
350	S	95.4	Very high	89.6	Confident	59 Å²	59	50 Å²	50	41%	0.413	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-80.4	150	179.6	-62.1	0	0	0	0	110.5	S333 V348 W392	S333-S350 WeakPolarHBondContact O-CA 3.3Å; S333-S350 WeakPolarHBondContact O-CB 3.33Å; V348-S350 PolarHBondContact O-N 2.84Å; S350-W392 VanDerWaalsContact C-CD1 3.47Å
351	M	96.1	Very high	90.5	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.03	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-59.6	155.1	170.3	-65.7	177.2	-66.5	0	0	110.4	V323 S333 V335 K353 R355 A369 W392	V323-M351 HydrophobicContact CG1-CE 3.74Å; V323-M351 HydrophobicContact CG1-CG 4.45Å; V323-M351 HydrophobicContact CG1-SD 3.46Å; V323-M351 WeakPolarHBondContact CG1-SD 3.46Å; S333-M351 WeakPolarHBondContact CB-O 2.84Å; S333-M351 PolarHBondContact O-N 2.77Å; V335-M351 HydrophobicContact CG2-CG 4.17Å; M351-K353 VanDerWaalsContact C-N 3.28Å; M351-K353 WeakPolarHBondContact CB-O 3.27Å; M351-K353 PolarHBondContact O-N 2.85Å; M351-R355 HydrophobicContact CE-CB 4.2Å; M351-R355 HydrophobicContact CE-CG 4.32Å; M351-R355 HydrophobicContact SD-CG 4.45Å; M351-A369 HydrophobicContact SD-CB 3.73Å; M351-W392 HydrophobicContact CB-CD2 4.4Å; M351-W392 HydrophobicContact CG-CD2 3.72Å; M351-W392 HydrophobicContact CG-CE3 3.93Å; M351-W392 HydrophobicContact CG-CG 4.47Å; M351-W392 HydrophobicContact CG-CH2 3.79Å; M351-W392 HydrophobicContact CG-CZ2 3.6Å; M351-W392 HydrophobicContact CG-CZ3 3.95Å; M351-W392 HydrophobicContact SD-CH2 4.15Å; M351-W392 HydrophobicContact SD-CZ2 4.4Å; M351-W392 HydrophobicContact SD-CZ3 4.38Å
352	S	94	Very high	91.5	Very high	86 Å²	86	47 Å²	47	60%	0.601	25%	0.249	S	C	*	.	S	Bend	trans	-69.7	-28.7	175.1	68.4	0	0	0	0	112.1	E383	S352-E383 VanDerWaalsContact CB-OE2 3.31Å; S352-E383 WeakPolarHBondContact CB-OE2 3.37Å; S352-E383 PolarHBondContact N-OE2 3.45Å; S352-E383 PolarHBondContact OG-OE2 3.03Å
353	K	92.4	Very high	92.6	Very high	91 Å²	91	44.3 Å²	44.3	40%	0.396	23%	0.232	S	C	.	.	S	Bend	trans	-113.4	145.3	174.4	-63.8	-161.3	175.1	-159.8	0	112.4	S333 M351 R355 L379	S333-K353 WeakPolarHBondContact CB-O 3.01Å; M351-K353 VanDerWaalsContact C-N 3.28Å; M351-K353 WeakPolarHBondContact CB-O 3.27Å; M351-K353 PolarHBondContact O-N 2.85Å; K353-R355 HydrophobicContact CB-CG 4.47Å; K353-L379 HydrophobicContact CD-CD1 4.37Å; K353-L379 HydrophobicContact CD-CD2 4.22Å
354	R	94.5	Very high	93.2	Very high	135 Å²	135	46 Å²	46	51%	0.509	24%	0.241	S	C	.	.			trans	-69.2	137.1	165.9	-69.2	178.4	-78.5	-100.2	5	109.1	A331 D374	A331-R354 HydrophobicContact CB-CB 3.99Å; A331-R354 WeakPolarHBondContact O-CD 3.39Å; A331-R354 WeakPolarHBondContact O-CG 3.32Å; R354-D374 VanDerWaalsContact O-CA 3.26Å; R354-D374 WeakPolarHBondContact O-CA 3.45Å; R354-D374 VanDerWaalsContact O-CB 3.23Å; R354-D374 WeakPolarHBondContact O-CB 3.37Å
355	R	94.2	Very high	93.6	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.241	C	C	.	.			trans	-145.7	119	-178.1	-54.3	178.1	177.6	-111.3	8.7	111	G325 I332 M351 K353 V358 G371 L379 S381 E383	G325-R355 PolarHBondContact N-O 3.44Å; I332-R355 PolarHBondContact O-N 3.34Å; I332-R355 VanDerWaalsContact O-N 3.1Å; M351-R355 HydrophobicContact CE-CB 4.2Å; M351-R355 HydrophobicContact CE-CG 4.32Å; M351-R355 HydrophobicContact SD-CG 4.45Å; K353-R355 HydrophobicContact CB-CG 4.47Å; R355-V358 HydrophobicContact CB-CB 3.9Å; R355-V358 HydrophobicContact CB-CG1 4.47Å; R355-V358 HydrophobicContact CB-CG2 4.23Å; R355-G371 WeakPolarHBondContact CD-O 3.38Å; R355-G371 PolarHBondContact NH1-O 3.04Å; R355-L379 HydrophobicContact CG-CD1 3.89Å; R355-S381 PolarHBondContact NH1-O 3.2Å; R355-S381 PolarHBondContact NH1-OG 3.18Å; R355-S381 PolarHBondContact NH2-O 3.12Å; R355-S381 PolarHBondContact NH2-OG 3.01Å; R355-E383 IonicContact CZ-OE1 2.76Å; R355-E383 VanDerWaalsContact CZ-OE1 3.25Å; R355-E383 IonicContact NE-OE1 3.96Å; R355-E383 PolarHBondContact NE-OE1 3.1Å; R355-E383 IonicContact NH2-OE1 3.6Å; R355-E383 PolarHBondContact NH2-OE1 2.78Å
356	C	91.7	Very high	93.9	Very high	17 Å²	17	45.6 Å²	45.6	12%	0.115	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-106.1	154.2	160.1	75.5	0	0	0	0	110.3	G325 W326 A331 V358 G372 H373 T404	G325-C356 WeakPolarHBondContact O-CB 3.47Å; W326-C356 HydrophobicContact CB-CB 4.17Å; W326-C356 HydrophobicContact CE3-CB 3.9Å; W326-C356 VanDerWaalsContact CE3-SG 3.57Å; A331-C356 HydrophobicContact CB-CB 4.19Å; C356-V358 PolarHBondContact O-N 3.25Å; C356-G372 CarbonylContact O-C 3.51Å; C356-G372 WeakPolarHBondContact O-CA 3.42Å; C356-H373 PolarHBondContact N-O 3.36Å; C356-H373 PolarHBondContact O-N 2.69Å; C356-H373 PolarHBondContact SG-O 3.28Å; C356-T404 PolarHBondContact O-OG1 3.43Å
357	G	91.9	Very high	94.4	Very high	14 Å²	14	40.2 Å²	40.2	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	62.3	29.2	-175	0	0	0	0	0	112.6	S405 G593	G357-S405 WeakPolarHBondContact O-CA 3.49Å; G357-S405 PolarHBondContact O-N 3.38Å; G357-G593 WeakPolarHBondContact CA-O 3.46Å; G357-G593 PolarHBondContact N-O 3.08Å
358	V	95.8	Very high	94.8	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	21%	0.205	C	C	.	.			trans	-75.5	135.9	-178.7	60.5	0	0	0	0	110.6	V323 R355 C356 V360 A369	V323-V358 WeakPolarHBondContact O-CG1 3.18Å; R355-V358 HydrophobicContact CB-CB 3.9Å; R355-V358 HydrophobicContact CB-CG1 4.47Å; R355-V358 HydrophobicContact CB-CG2 4.23Å; C356-V358 PolarHBondContact O-N 3.25Å; V358-V360 HydrophobicContact CG1-CG2 4.05Å; V358-V360 HydrophobicContact CG2-CG2 4.16Å; V358-A369 HydrophobicContact CG2-CB 3.89Å
359	G	96.8	Very high	95	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.1	170.4	0	0	0	0	0	110.7	V370 V406	G359-V370 PolarHBondContact N-O 2.81Å; G359-V370 PolarHBondContact O-N 2.89Å; G359-V406 WeakPolarHBondContact CA-O 3.36Å
360	V	97.6	Very high	95.3	Very high	14 Å²	14	34.3 Å²	34.3	9%	0.085	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.3	-174.9	178.6	0	0	0	0	110.9	V323 V358 L367 Y368	V323-V360 HydrophobicContact CB-CG2 3.93Å; V323-V360 HydrophobicContact CG1-CG2 4.23Å; V323-V360 HydrophobicContact CG2-CG1 4.12Å; V323-V360 HydrophobicContact CG2-CG2 4.27Å; V358-V360 HydrophobicContact CG1-CG2 4.05Å; V358-V360 HydrophobicContact CG2-CG2 4.16Å; V360-L367 HydrophobicContact CG1-CD1 3.43Å; V360-L367 VanDerWaalsContact CG1-CD1 3.43Å; V360-L367 HydrophobicContact CG1-CG 4.19Å; V360-Y368 VanDerWaalsContact CA-O 3.3Å; V360-Y368 WeakPolarHBondContact CA-O 3.46Å
361	S	97.4	Very high	95.3	Very high	23 Å²	23	31.5 Å²	31.5	16%	0.161	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	171.1	170.1	-156.8	0	0	0	0	110.5	Y368	S361-Y368 PolarHBondContact N-O 3.4Å; S361-Y368 PolarHBondContact O-N 2.84Å
362	V	97.1	Very high	95.3	Very high	32 Å²	32	31.2 Å²	31.2	19%	0.194	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.8	-175.7	177	0	0	0	0	109.5	L366 L367 V410 V598 I599	V362-L366 VanDerWaalsContact CA-O 3.3Å; V362-L366 WeakPolarHBondContact CA-O 3.41Å; V362-L367 HydrophobicContact CG2-CD1 3.7Å; V362-V410 VanDerWaalsContact O-CG2 3.27Å; V362-V410 WeakPolarHBondContact O-CG2 3.26Å; V362-V598 WeakPolarHBondContact CG2-O 3.23Å; V362-I599 HydrophobicContact CG1-CG1 4.03Å; V362-I599 HydrophobicContact CG2-CG1 3.79Å
363	L	96.3	Very high	95.3	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.7	177.3	176.7	64.2	0	0	0	108.2	D365 L366 Y368 V410 L415 Y433 P435	L363-D365 VanDerWaalsContact C-N 3.3Å; L363-D365 PolarHBondContact O-N 2.81Å; L363-L366 PolarHBondContact N-O 3.44Å; L363-L366 WeakPolarHBondContact O-CB 3.47Å; L363-L366 PolarHBondContact O-N 2.8Å; L363-Y368 HydrophobicContact CB-CD2 4.06Å; L363-Y368 HydrophobicContact CB-CE2 3.72Å; L363-Y368 HydrophobicContact CG-CE2 4.47Å; L363-V410 HydrophobicContact CB-CG2 3.88Å; L363-V410 HydrophobicContact CD1-CG1 3.7Å; L363-V410 HydrophobicContact CD1-CG2 4.23Å; L363-L415 HydrophobicContact CD2-CB 4.2Å; L363-Y433 HydrophobicContact CD2-CD1 4.49Å; L363-P435 HydrophobicContact CD2-CB 4.1Å; L363-P435 HydrophobicContact CD2-CG 3.91Å
364	D	91.6	Very high	95.3	Very high	112 Å²	112	26.1 Å²	26.1	60%	0.599	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	47.2	-179.7	-56.1	-31.5	0	0	0	113.1	L366	D364-L366 PolarHBondContact O-N 3.36Å; D364-L366 VanDerWaalsContact O-N 3.11Å
365	D	90.6	Very high	95	Very high	77 Å²	77	21.2 Å²	21.2	41%	0.412	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	11.6	-177.8	-56.7	-38	0	0	0	115.7	L363	L363-D365 VanDerWaalsContact C-N 3.3Å; L363-D365 PolarHBondContact O-N 2.81Å
366	L	94.9	Very high	94.7	Very high	28 Å²	28	26.2 Å²	26.2	15%	0.147	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.1	177.2	-60.5	169.3	0	0	0	110.6	V362 L363 D364 Y368 Y385 D386	V362-L366 VanDerWaalsContact CA-O 3.3Å; V362-L366 WeakPolarHBondContact CA-O 3.41Å; L363-L366 PolarHBondContact N-O 3.44Å; L363-L366 WeakPolarHBondContact O-CB 3.47Å; L363-L366 PolarHBondContact O-N 2.8Å; D364-L366 PolarHBondContact O-N 3.36Å; D364-L366 VanDerWaalsContact O-N 3.11Å; L366-Y368 HydrophobicContact CB-CD2 4.46Å; L366-Y368 HydrophobicContact CB-CE2 3.8Å; L366-Y368 WeakPolarHBondContact O-CD2 3.42Å; L366-Y385 WeakPolarHBondContact CA-O 3.46Å; L366-D386 HydrophobicContact CD2-CB 3.62Å
367	L	97.5	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.9	-179.6	-178.1	71.4	0	0	0	110.3	F321 V323 V360 V362 R384 Y385 W392 I599	F321-L367 HydrophobicContact CB-CD2 3.64Å; F321-L367 HydrophobicContact CD1-CD2 4.22Å; F321-L367 HydrophobicContact CD2-CD2 4.46Å; F321-L367 HydrophobicContact CG-CD2 3.87Å; V323-L367 HydrophobicContact CG2-CD2 3.56Å; V323-L367 HydrophobicContact CG2-CG 4.3Å; V360-L367 HydrophobicContact CG1-CD1 3.43Å; V360-L367 VanDerWaalsContact CG1-CD1 3.43Å; V360-L367 HydrophobicContact CG1-CG 4.19Å; V362-L367 HydrophobicContact CG2-CD1 3.7Å; L367-R384 CarbonylContact O-C 3.58Å; L367-R384 VanDerWaalsContact O-CA 3.25Å; L367-R384 WeakPolarHBondContact O-CA 3.39Å; L367-Y385 HydrophobicContact CB-CD1 4.25Å; L367-Y385 HydrophobicContact CD2-CD1 4.25Å; L367-Y385 PolarHBondContact N-O 2.78Å; L367-Y385 PolarHBondContact O-N 3Å; L367-W392 HydrophobicContact CD2-CH2 4.18Å; L367-W392 HydrophobicContact CD2-CZ2 4.39Å; L367-W392 HydrophobicContact CG-CH2 4.46Å; L367-I599 HydrophobicContact CB-CD1 4.07Å
368	Y	98.4	Very high	94.9	Very high	9 Å²	9	32 Å²	32	4%	0.035	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.9	-179	-72.1	-103	0	0	0	111.1	V360 S361 L363 L366 V382 E383 R384 V396 L415 Y433	V360-Y368 VanDerWaalsContact CA-O 3.3Å; V360-Y368 WeakPolarHBondContact CA-O 3.46Å; S361-Y368 PolarHBondContact N-O 3.4Å; S361-Y368 PolarHBondContact O-N 2.84Å; L363-Y368 HydrophobicContact CB-CD2 4.06Å; L363-Y368 HydrophobicContact CB-CE2 3.72Å; L363-Y368 HydrophobicContact CG-CE2 4.47Å; L366-Y368 HydrophobicContact CB-CD2 4.46Å; L366-Y368 HydrophobicContact CB-CE2 3.8Å; L366-Y368 WeakPolarHBondContact O-CD2 3.42Å; Y368-V382 HydrophobicContact CD1-CG1 4.2Å; Y368-E383 CarbonylContact C-O 3.47Å; Y368-E383 WeakPolarHBondContact CA-O 3.48Å; Y368-R384 HydrophobicContact CD1-CB 3.91Å; Y368-R384 HydrophobicContact CE1-CB 3.8Å; Y368-R384 HydrophobicContact CE2-CB 4.4Å; Y368-R384 HydrophobicContact CG-CB 4.28Å; Y368-V396 HydrophobicContact CD1-CG1 4.49Å; Y368-V396 HydrophobicContact CD1-CG2 4.24Å; Y368-V396 HydrophobicContact CE1-CG1 4.28Å; Y368-V396 HydrophobicContact CE1-CG2 3.8Å; Y368-L415 HydrophobicContact CD1-CD2 4.07Å; Y368-L415 HydrophobicContact CG-CD2 3.97Å; Y368-Y433 HydrophobicContact CE1-CE1 4.09Å
369	A	98.1	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.6	173.3	0	0	0	0	0	109.6	V323 M351 V358 V382 E383 W392	V323-A369 HydrophobicContact CG1-CB 4.4Å; M351-A369 HydrophobicContact SD-CB 3.73Å; V358-A369 HydrophobicContact CG2-CB 3.89Å; A369-V382 WeakPolarHBondContact O-CA 3.29Å; A369-E383 PolarHBondContact N-O 3.25Å; A369-E383 PolarHBondContact O-N 2.76Å; A369-W392 HydrophobicContact CB-CH2 4.05Å; A369-W392 HydrophobicContact CB-CZ3 3.75Å
370	V	98.2	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.2	-171.4	-175.5	0	0	0	0	110.5	G359 V382 T399 V406 V408 L415 A417 W440	G359-V370 PolarHBondContact N-O 2.81Å; G359-V370 PolarHBondContact O-N 2.89Å; V370-V382 HydrophobicContact CB-CG2 4.49Å; V370-V382 HydrophobicContact CG1-CG2 4.07Å; V370-V382 HydrophobicContact CG2-CG1 3.97Å; V370-V382 HydrophobicContact CG2-CG2 4.45Å; V370-T399 HydrophobicContact CG1-CG2 4.01Å; V370-V406 WeakPolarHBondContact O-CG1 3.43Å; V370-V408 HydrophobicContact CB-CG2 3.99Å; V370-V408 HydrophobicContact CG1-CG2 4.47Å; V370-V408 HydrophobicContact CG2-CG1 4.22Å; V370-V408 HydrophobicContact CG2-CG2 4.15Å; V370-L415 HydrophobicContact CG2-CD2 3.89Å; V370-A417 HydrophobicContact CG1-CB 4.3Å; V370-W440 HydrophobicContact CG1-CH2 4.28Å; V370-W440 HydrophobicContact CG1-CZ2 4.38Å; V370-W440 HydrophobicContact CG2-CH2 4.36Å; V370-W440 HydrophobicContact CG2-CZ2 4.44Å
371	G	96.7	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.			trans	62.5	-144.1	174.5	0	0	0	0	0	113.8	R355 L379 S381 R403	R355-G371 WeakPolarHBondContact CD-O 3.38Å; R355-G371 PolarHBondContact NH1-O 3.04Å; G371-L379 WeakPolarHBondContact CA-O 3.07Å; G371-S381 PolarHBondContact N-O 2.79Å; G371-S381 VanDerWaalsContact N-O 3.1Å; G371-R403 CarbonylContact C-O 3.55Å; G371-R403 WeakPolarHBondContact CA-O 3.22Å
372	G	95.4	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.			trans	103.8	-169.8	-174.7	0	0	0	0	0	112.8	C356 L379 R403	C356-G372 CarbonylContact O-C 3.51Å; C356-G372 WeakPolarHBondContact O-CA 3.42Å; G372-L379 WeakPolarHBondContact O-CB 3.24Å; G372-L379 PolarHBondContact O-N 3Å; G372-R403 PolarHBondContact N-O 3.48Å
373	H	93.6	Very high	95	Very high	34 Å²	34	32.7 Å²	32.7	16%	0.157	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-129.4	133	176.4	176.7	-98.6	0	0	0	109.4	C356 G375 S377	C356-H373 PolarHBondContact N-O 3.36Å; C356-H373 PolarHBondContact O-N 2.69Å; C356-H373 PolarHBondContact SG-O 3.28Å; H373-G375 WeakPolarHBondContact CE1-CA 3.24Å; H373-G375 PolarHBondContact CE1-N 2.83Å; H373-G375 PolarHBondContact CE1-O 2.87Å; H373-G375 PolarHBondContact ND1-N 2.93Å; H373-G375 VanDerWaalsContact ND1-N 3.19Å; H373-S377 WeakPolarHBondContact CA-O 3.33Å; H373-S377 VanDerWaalsContact CD2-C 3.45Å; H373-S377 PolarHBondContact CD2-O 2.87Å; H373-S377 VanDerWaalsContact CD2-O 3.28Å
374	D	92.6	Very high	95.1	Very high	36 Å²	36	35.6 Å²	35.6	19%	0.193	20%	0.2	C	C	.	.			trans	-92.4	6.7	-174.4	65.4	9.1	0	0	0	114.6	R354 S376 S377 L379	R354-D374 VanDerWaalsContact O-CA 3.26Å; R354-D374 WeakPolarHBondContact O-CA 3.45Å; R354-D374 VanDerWaalsContact O-CB 3.23Å; R354-D374 WeakPolarHBondContact O-CB 3.37Å; D374-S376 WeakPolarHBondContact OD1-CA 3.48Å; D374-S376 PolarHBondContact OD1-N 2.82Å; D374-S377 PolarHBondContact N-O 2.82Å; D374-S377 PolarHBondContact OD1-N 3.22Å; D374-L379 HydrophobicContact CB-CD1 4.22Å; D374-L379 HydrophobicContact CB-CD2 4.42Å
375	G	88.3	Confident	95.4	Very high	31 Å²	31	30.4 Å²	30.4	32%	0.32	17%	0.172	S	C	.	.	S	Bend	trans	101.2	-21.3	-173	0	0	0	0	0	112.7	H373	H373-G375 WeakPolarHBondContact CE1-CA 3.24Å; H373-G375 PolarHBondContact CE1-N 2.83Å; H373-G375 PolarHBondContact CE1-O 2.87Å; H373-G375 PolarHBondContact ND1-N 2.93Å; H373-G375 VanDerWaalsContact ND1-N 3.19Å
376	S	89.3	Confident	95.5	Very high	106 Å²	106	28.7 Å²	28.7	74%	0.741	16%	0.163	S	C	*	.	S	Bend	trans	-125.2	-34.8	-179.5	-60.3	0	0	0	0	113.8	D374	D374-S376 WeakPolarHBondContact OD1-CA 3.48Å; D374-S376 PolarHBondContact OD1-N 2.82Å
377	S	92.5	Very high	95.2	Very high	64 Å²	64	27.6 Å²	27.6	45%	0.448	16%	0.158	S	C	.	.	S	Bend	trans	-138.3	146.5	-170.8	-69.3	0	0	0	0	112.2	H373 D374	H373-S377 WeakPolarHBondContact CA-O 3.33Å; H373-S377 VanDerWaalsContact CD2-C 3.45Å; H373-S377 PolarHBondContact CD2-O 2.87Å; H373-S377 VanDerWaalsContact CD2-O 3.28Å; D374-S377 PolarHBondContact N-O 2.82Å; D374-S377 PolarHBondContact OD1-N 3.22Å
378	Y	94.6	Very high	94.6	Very high	89 Å²	89	33.1 Å²	33.1	35%	0.349	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-76	132.9	168.9	-61.2	-92.7	0	0	0	109.4	C402 T404 Q421	Y378-C402 PolarHBondContact O-SG 3.24Å; Y378-T404 HydrophobicContact CD1-CG2 3.61Å; Y378-T404 HydrophobicContact CE1-CG2 3.61Å; Y378-Q421 HydrophobicContact CE1-CG 4.29Å
379	L	96.5	Very high	93.9	Very high	9 Å²	9	36 Å²	36	5%	0.047	20%	0.2	C	C	.	.			trans	-103.2	141.5	-172.3	-57.5	176.7	0	0	0	111.8	K353 R355 G371 G372 D374 C402 R403	K353-L379 HydrophobicContact CD-CD1 4.37Å; K353-L379 HydrophobicContact CD-CD2 4.22Å; R355-L379 HydrophobicContact CG-CD1 3.89Å; G371-L379 WeakPolarHBondContact CA-O 3.07Å; G372-L379 WeakPolarHBondContact O-CB 3.24Å; G372-L379 PolarHBondContact O-N 3Å; D374-L379 HydrophobicContact CB-CD1 4.22Å; D374-L379 HydrophobicContact CB-CD2 4.42Å; L379-C402 WeakPolarHBondContact O-CA 3.39Å; L379-R403 PolarHBondContact O-N 2.92Å
380	N	96.7	Very high	93.5	Very high	57 Å²	57	37.2 Å²	37.2	31%	0.305	21%	0.206	S	C	.	.			trans	-107.6	-5.4	163.2	69.8	-23.6	0	0	0	112.7	P398 T399 C402	N380-P398 WeakPolarHBondContact O-CA 3.42Å; N380-T399 WeakPolarHBondContact CA-OG1 3.15Å; N380-T399 WeakPolarHBondContact CB-OG1 3.37Å; N380-T399 PolarHBondContact ND2-O 3.06Å; N380-T399 PolarHBondContact O-N 3.35Å; N380-T399 PolarHBondContact O-OG1 3.03Å; N380-T399 VanDerWaalsContact O-OG1 3.11Å; N380-C402 HydrophobicContact CB-CB 4.46Å
381	S	97.6	Very high	93.2	Very high	23 Å²	23	43.5 Å²	43.5	16%	0.161	24%	0.236	C	C	.	.			trans	-66.8	149.9	-178.7	56.2	0	0	0	0	111.7	R355 G371	R355-S381 PolarHBondContact NH1-O 3.2Å; R355-S381 PolarHBondContact NH1-OG 3.18Å; R355-S381 PolarHBondContact NH2-O 3.12Å; R355-S381 PolarHBondContact NH2-OG 3.01Å; G371-S381 PolarHBondContact N-O 2.79Å; G371-S381 VanDerWaalsContact N-O 3.1Å
382	V	98.3	Very high	93.3	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.5	177.2	-174.1	0	0	0	0	108.2	Y368 A369 V370 V396 T399 W440	Y368-V382 HydrophobicContact CD1-CG1 4.2Å; A369-V382 WeakPolarHBondContact O-CA 3.29Å; V370-V382 HydrophobicContact CB-CG2 4.49Å; V370-V382 HydrophobicContact CG1-CG2 4.07Å; V370-V382 HydrophobicContact CG2-CG1 3.97Å; V370-V382 HydrophobicContact CG2-CG2 4.45Å; V382-V396 HydrophobicContact CB-CB 4Å; V382-V396 HydrophobicContact CB-CG1 3.79Å; V382-V396 HydrophobicContact CG1-CB 3.98Å; V382-V396 HydrophobicContact CG1-CG1 3.6Å; V382-V396 HydrophobicContact CG1-CG2 4.48Å; V382-T399 HydrophobicContact CG2-CG2 4.29Å; V382-W440 HydrophobicContact CG2-CZ2 4Å
383	E	97.9	Very high	93.3	Very high	2 Å²	2	47 Å²	47	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.6	173.8	-65.8	170.1	-104.3	0	0	108.7	S352 R355 Y368 A369 W392 S393	S352-E383 VanDerWaalsContact CB-OE2 3.31Å; S352-E383 WeakPolarHBondContact CB-OE2 3.37Å; S352-E383 PolarHBondContact N-OE2 3.45Å; S352-E383 PolarHBondContact OG-OE2 3.03Å; R355-E383 IonicContact CZ-OE1 2.76Å; R355-E383 VanDerWaalsContact CZ-OE1 3.25Å; R355-E383 IonicContact NE-OE1 3.96Å; R355-E383 PolarHBondContact NE-OE1 3.1Å; R355-E383 IonicContact NH2-OE1 3.6Å; R355-E383 PolarHBondContact NH2-OE1 2.78Å; Y368-E383 CarbonylContact C-O 3.47Å; Y368-E383 WeakPolarHBondContact CA-O 3.48Å; A369-E383 PolarHBondContact N-O 3.25Å; A369-E383 PolarHBondContact O-N 2.76Å; E383-W392 HydrophobicContact CB-CE3 3.67Å; E383-W392 HydrophobicContact CB-CZ3 4.09Å; E383-S393 WeakPolarHBondContact CA-O 3.47Å
384	R	97.9	Very high	93.4	Very high	66 Å²	66	49.1 Å²	49.1	25%	0.249	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.1	172.9	68.1	-176.3	-177.8	96.5	-0.8	110.5	L367 Y368 W392 S393 D395 V396	L367-R384 CarbonylContact O-C 3.58Å; L367-R384 VanDerWaalsContact O-CA 3.25Å; L367-R384 WeakPolarHBondContact O-CA 3.39Å; Y368-R384 HydrophobicContact CD1-CB 3.91Å; Y368-R384 HydrophobicContact CE1-CB 3.8Å; Y368-R384 HydrophobicContact CE2-CB 4.4Å; Y368-R384 HydrophobicContact CG-CB 4.28Å; R384-W392 CarbonylContact O-C 3.5Å; R384-W392 WeakPolarHBondContact O-CA 3.46Å; R384-S393 PolarHBondContact N-O 2.89Å; R384-S393 PolarHBondContact O-N 3.32Å; R384-D395 IonicContact CZ-OD1 3.5Å; R384-D395 IonicContact CZ-OD2 3.97Å; R384-D395 IonicContact NE-OD1 2.95Å; R384-D395 PolarHBondContact NE-OD1 3.02Å; R384-D395 IonicContact NE-OD2 3.34Å; R384-D395 PolarHBondContact NE-OD2 2.81Å; R384-D395 IonicContact NH2-OD1 3.3Å; R384-D395 IonicContact NH2-OD2 2.8Å; R384-D395 PolarHBondContact NH2-OD2 2.81Å; R384-V396 HydrophobicContact CB-CG2 3.99Å; R384-V396 HydrophobicContact CG-CG2 3.82Å
385	Y	97.6	Very high	93.5	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.2	178.6	171.1	-98.5	0	0	0	110.4	F321 A349 L366 L367 P387 N390 Q391 W392	F321-Y385 HydrophobicContact CD1-CE1 4.29Å; F321-Y385 HydrophobicContact CE1-CD1 4.38Å; F321-Y385 AromaticContact CE1-CE1 3.57Å; F321-Y385 HydrophobicContact CE1-CE1 3.57Å; F321-Y385 AromaticContact CZ-CE1 3.9Å; F321-Y385 HydrophobicContact CZ-CE1 3.9Å; A349-Y385 HydrophobicContact CB-CE2 4.31Å; L366-Y385 WeakPolarHBondContact CA-O 3.46Å; L367-Y385 HydrophobicContact CB-CD1 4.25Å; L367-Y385 HydrophobicContact CD2-CD1 4.25Å; L367-Y385 PolarHBondContact N-O 2.78Å; L367-Y385 PolarHBondContact O-N 3Å; Y385-P387 HydrophobicContact CD1-CG 4.09Å; Y385-P387 HydrophobicContact CE1-CB 4.01Å; Y385-P387 HydrophobicContact CE1-CG 3.87Å; Y385-N390 HydrophobicContact CE2-CB 4.33Å; Y385-N390 WeakPolarHBondContact CE2-OD1 3.17Å; Y385-N390 WeakPolarHBondContact OH-CA 3.46Å; Y385-N390 PolarHBondContact OH-OD1 2.83Å; Y385-Q391 WeakPolarHBondContact CA-O 3.33Å; Y385-W392 AromaticContact CD2-CD1 3.68Å; Y385-W392 HydrophobicContact CD2-CD2 4.1Å; Y385-W392 AromaticContact CD2-CE2 3.67Å; Y385-W392 HydrophobicContact CD2-CG 4.09Å; Y385-W392 HydrophobicContact CD2-CZ2 4.18Å; Y385-W392 AromaticContact CD2-NE1 3.41Å; Y385-W392 HydrophobicContact CG-CD2 4.29Å; Y385-W392 AromaticContact CG-CE2 3.87Å; Y385-W392 HydrophobicContact CG-CH2 4.49Å; Y385-W392 AromaticContact CG-CZ2 3.95Å; Y385-W392 HydrophobicContact CG-CZ2 3.95Å
386	D	93.1	Very high	94	Very high	41 Å²	41	49.8 Å²	49.8	22%	0.219	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.9	172.5	177.3	5.2	0	0	0	109.6	L366 K388 T389 N390 Q391	L366-D386 HydrophobicContact CD2-CB 3.62Å; D386-K388 PolarHBondContact O-N 3.11Å; D386-K388 WeakPolarHBondContact OD1-CB 3.4Å; D386-K388 PolarHBondContact OD1-N 2.75Å; D386-T389 WeakPolarHBondContact CB-OG1 3.39Å; D386-T389 VanDerWaalsContact CG-OG1 3.32Å; D386-T389 PolarHBondContact O-N 3.31Å; D386-T389 WeakPolarHBondContact OD2-CG2 3.5Å; D386-T389 PolarHBondContact OD2-OG1 2.9Å; D386-T389 VanDerWaalsContact OD2-OG1 3.05Å; D386-N390 WeakPolarHBondContact O-CA 3.35Å; D386-N390 PolarHBondContact O-N 3.23Å; D386-Q391 PolarHBondContact N-O 3.27Å; D386-Q391 PolarHBondContact O-N 2.82Å
387	P	88.5	Confident	94.4	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.039	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.6	178.3	-22.6	33.5	0	0	0	113.9	F321 Y385 T389 I599 M601	F321-P387 HydrophobicContact CZ-CB 4.34Å; F321-P387 HydrophobicContact CZ-CG 4.38Å; Y385-P387 HydrophobicContact CD1-CG 4.09Å; Y385-P387 HydrophobicContact CE1-CB 4.01Å; Y385-P387 HydrophobicContact CE1-CG 3.87Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 3.12Å; P387-I599 HydrophobicContact CB-CD1 4.46Å; P387-I599 HydrophobicContact CG-CD1 3.24Å; P387-I599 HydrophobicContact CG-CG2 4.21Å; P387-M601 HydrophobicContact CB-CE 4.1Å
388	K	84.5	Confident	94.7	Very high	115 Å²	115	46.2 Å²	46.2	50%	0.5	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-30.2	-176.9	-60.8	175.9	-179.1	170.7	0	111.8	D386	D386-K388 PolarHBondContact O-N 3.11Å; D386-K388 WeakPolarHBondContact OD1-CB 3.4Å; D386-K388 PolarHBondContact OD1-N 2.75Å
389	T	85.1	Confident	94.8	Very high	70 Å²	70	42.1 Å²	42.1	43%	0.429	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-9.3	179.8	57.9	0	0	0	0	112.8	D386 P387 Q391 W609	D386-T389 WeakPolarHBondContact CB-OG1 3.39Å; D386-T389 VanDerWaalsContact CG-OG1 3.32Å; D386-T389 PolarHBondContact O-N 3.31Å; D386-T389 WeakPolarHBondContact OD2-CG2 3.5Å; D386-T389 PolarHBondContact OD2-OG1 2.9Å; D386-T389 VanDerWaalsContact OD2-OG1 3.05Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 3.12Å; T389-Q391 VanDerWaalsContact O-CG 3.29Å; T389-Q391 WeakPolarHBondContact O-CG 3.34Å; T389-Q391 PolarHBondContact O-N 3.01Å; T389-W609 WeakPolarHBondContact O-CH2 3.47Å
390	N	88.8	Confident	94.7	Very high	25 Å²	25	44.8 Å²	44.8	13%	0.134	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	47.7	-172	-176	26.7	0	0	0	111.8	V348 A349 Y385 D386 W609	V348-N390 WeakPolarHBondContact CB-OD1 3.33Å; A349-N390 WeakPolarHBondContact CB-O 3.47Å; A349-N390 WeakPolarHBondContact CB-OD1 3.38Å; A349-N390 PolarHBondContact N-OD1 3.01Å; Y385-N390 HydrophobicContact CE2-CB 4.33Å; Y385-N390 WeakPolarHBondContact CE2-OD1 3.17Å; Y385-N390 WeakPolarHBondContact OH-CA 3.46Å; Y385-N390 PolarHBondContact OH-OD1 2.83Å; D386-N390 WeakPolarHBondContact O-CA 3.35Å; D386-N390 PolarHBondContact O-N 3.23Å; N390-W609 HydrophobicContact CB-CD2 3.87Å; N390-W609 HydrophobicContact CB-CE3 3.94Å; N390-W609 HydrophobicContact CB-CH2 3.13Å; N390-W609 HydrophobicContact CB-CZ2 2.94Å; N390-W609 HydrophobicContact CB-CZ3 3.58Å; N390-W609 WeakPolarHBondContact ND2-CZ3 3.32Å
391	Q	92.9	Very high	94.5	Very high	133 Å²	133	43.5 Å²	43.5	62%	0.621	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.2	178	-62.4	-139.7	7.9	0	0	110.8	Y385 D386 T389	Y385-Q391 WeakPolarHBondContact CA-O 3.33Å; D386-Q391 PolarHBondContact N-O 3.27Å; D386-Q391 PolarHBondContact O-N 2.82Å; T389-Q391 VanDerWaalsContact O-CG 3.29Å; T389-Q391 WeakPolarHBondContact O-CG 3.34Å; T389-Q391 PolarHBondContact O-N 3.01Å
392	W	97.3	Very high	94.3	Very high	33 Å²	33	44.4 Å²	44.4	13%	0.125	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.3	168.8	-72.4	88.7	0	0	0	109.6	V323 V335 A349 S350 M351 L367 A369 E383 R384 Y385	V323-W392 HydrophobicContact CG1-CH2 4.06Å; V323-W392 HydrophobicContact CG1-CZ2 4.34Å; V335-W392 HydrophobicContact CG1-CZ2 4.42Å; V335-W392 HydrophobicContact CG2-CZ2 3.73Å; A349-W392 PolarHBondContact O-NE1 3.03Å; S350-W392 VanDerWaalsContact C-CD1 3.47Å; M351-W392 HydrophobicContact CB-CD2 4.4Å; M351-W392 HydrophobicContact CG-CD2 3.72Å; M351-W392 HydrophobicContact CG-CE3 3.93Å; M351-W392 HydrophobicContact CG-CG 4.47Å; M351-W392 HydrophobicContact CG-CH2 3.79Å; M351-W392 HydrophobicContact CG-CZ2 3.6Å; M351-W392 HydrophobicContact CG-CZ3 3.95Å; M351-W392 HydrophobicContact SD-CH2 4.15Å; M351-W392 HydrophobicContact SD-CZ2 4.4Å; M351-W392 HydrophobicContact SD-CZ3 4.38Å; L367-W392 HydrophobicContact CD2-CH2 4.18Å; L367-W392 HydrophobicContact CD2-CZ2 4.39Å; L367-W392 HydrophobicContact CG-CH2 4.46Å; A369-W392 HydrophobicContact CB-CH2 4.05Å; A369-W392 HydrophobicContact CB-CZ3 3.75Å; E383-W392 HydrophobicContact CB-CE3 3.67Å; E383-W392 HydrophobicContact CB-CZ3 4.09Å; R384-W392 CarbonylContact O-C 3.5Å; R384-W392 WeakPolarHBondContact O-CA 3.46Å; Y385-W392 AromaticContact CD2-CD1 3.68Å; Y385-W392 HydrophobicContact CD2-CD2 4.1Å; Y385-W392 AromaticContact CD2-CE2 3.67Å; Y385-W392 HydrophobicContact CD2-CG 4.09Å; Y385-W392 HydrophobicContact CD2-CZ2 4.18Å; Y385-W392 AromaticContact CD2-NE1 3.41Å; Y385-W392 HydrophobicContact CG-CD2 4.29Å; Y385-W392 AromaticContact CG-CE2 3.87Å; Y385-W392 HydrophobicContact CG-CH2 4.49Å; Y385-W392 AromaticContact CG-CZ2 3.95Å; Y385-W392 HydrophobicContact CG-CZ2 3.95Å
393	S	96.1	Very high	94.1	Very high	39 Å²	39	44.2 Å²	44.2	27%	0.273	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.4	172	-171.1	0	0	0	0	110.5	E383 R384 D395	E383-S393 WeakPolarHBondContact CA-O 3.47Å; R384-S393 PolarHBondContact N-O 2.89Å; R384-S393 PolarHBondContact O-N 3.32Å; S393-D395 WeakPolarHBondContact OG-CB 3.29Å; S393-D395 PolarHBondContact OG-N 2.93Å; S393-D395 PolarHBondContact OG-OD1 3.02Å; S393-D395 VanDerWaalsContact OG-OD1 3.13Å; S393-D395 PolarHBondContact OG-OD2 2.86Å
394	S	95.9	Very high	94	Very high	79 Å²	79	44.4 Å²	44.4	55%	0.552	25%	0.249	S	C	*	.			trans	-103.8	28.9	175.8	-61.1	0	0	0	0	111.5	V396	S394-V396 VanDerWaalsContact C-N 3.32Å
395	D	95.1	Very high	93.9	Very high	73 Å²	73	42.3 Å²	42.3	39%	0.39	24%	0.244	S	C	.	.			trans	-85	-3.5	-179.5	61.1	-0.3	0	0	0	114	R384 S393 N438	R384-D395 IonicContact CZ-OD1 3.5Å; R384-D395 IonicContact CZ-OD2 3.97Å; R384-D395 IonicContact NE-OD1 2.95Å; R384-D395 PolarHBondContact NE-OD1 3.02Å; R384-D395 IonicContact NE-OD2 3.34Å; R384-D395 PolarHBondContact NE-OD2 2.81Å; R384-D395 IonicContact NH2-OD1 3.3Å; R384-D395 IonicContact NH2-OD2 2.8Å; R384-D395 PolarHBondContact NH2-OD2 2.81Å; S393-D395 WeakPolarHBondContact OG-CB 3.29Å; S393-D395 PolarHBondContact OG-N 2.93Å; S393-D395 PolarHBondContact OG-OD1 3.02Å; S393-D395 VanDerWaalsContact OG-OD1 3.13Å; S393-D395 PolarHBondContact OG-OD2 2.86Å; D395-N438 PolarHBondContact O-ND2 2.79Å
396	V	97.9	Very high	93.8	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.048	25%	0.247	C	C	.	.	S	Bend	trans	-80.7	131.7	178.7	-173.5	0	0	0	0	110	Y368 V382 R384 S394 Y433	Y368-V396 HydrophobicContact CD1-CG1 4.49Å; Y368-V396 HydrophobicContact CD1-CG2 4.24Å; Y368-V396 HydrophobicContact CE1-CG1 4.28Å; Y368-V396 HydrophobicContact CE1-CG2 3.8Å; V382-V396 HydrophobicContact CB-CB 4Å; V382-V396 HydrophobicContact CB-CG1 3.79Å; V382-V396 HydrophobicContact CG1-CB 3.98Å; V382-V396 HydrophobicContact CG1-CG1 3.6Å; V382-V396 HydrophobicContact CG1-CG2 4.48Å; R384-V396 HydrophobicContact CB-CG2 3.99Å; R384-V396 HydrophobicContact CG-CG2 3.82Å; S394-V396 VanDerWaalsContact C-N 3.32Å; V396-Y433 HydrophobicContact CG1-CD2 4.45Å; V396-Y433 HydrophobicContact CG1-CE1 4.32Å; V396-Y433 HydrophobicContact CG1-CE2 3.79Å
397	A	97.9	Very high	94.1	Very high	23 Å²	23	41 Å²	41	19%	0.19	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-55.6	140.7	176.9	0	0	0	0	0	111.4	N438 W440	A397-N438 WeakPolarHBondContact CB-O 3.29Å; A397-N438 PolarHBondContact N-OD1 2.71Å; A397-W440 PolarHBondContact O-NE1 3.21Å
398	P	97.8	Very high	94.5	Very high	73 Å²	73	41.3 Å²	41.3	47%	0.474	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-71.3	155.3	176.5	30.7	-34.9	0	0	0	111	N380 W440	N380-P398 WeakPolarHBondContact O-CA 3.42Å; P398-W440 VanDerWaalsContact O-CD1 3.26Å
399	T	97.5	Very high	95.2	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-68	157.9	170.1	54.9	0	0	0	0	111.2	V370 N380 V382 T401 W440	V370-T399 HydrophobicContact CG1-CG2 4.01Å; N380-T399 WeakPolarHBondContact CA-OG1 3.15Å; N380-T399 WeakPolarHBondContact CB-OG1 3.37Å; N380-T399 PolarHBondContact ND2-O 3.06Å; N380-T399 PolarHBondContact O-N 3.35Å; N380-T399 PolarHBondContact O-OG1 3.03Å; N380-T399 VanDerWaalsContact O-OG1 3.11Å; V382-T399 HydrophobicContact CG2-CG2 4.29Å; T399-T401 PolarHBondContact O-N 3.2Å; T399-T401 PolarHBondContact OG1-O 3.2Å; T399-W440 HydrophobicContact CG2-CD2 3.85Å; T399-W440 HydrophobicContact CG2-CE3 4.17Å; T399-W440 HydrophobicContact CG2-CG 4.36Å; T399-W440 HydrophobicContact CG2-CH2 4.23Å; T399-W440 HydrophobicContact CG2-CZ2 3.92Å; T399-W440 HydrophobicContact CG2-CZ3 4.35Å
400	S	94.6	Very high	95.8	Very high	64 Å²	64	34.8 Å²	34.8	45%	0.448	21%	0.212	S	C	.	.	S	Bend	trans	-66.9	-20.9	-176.9	74	0	0	0	0	114.2	E431 R442	S400-E431 WeakPolarHBondContact CB-OE1 3.36Å; S400-E431 WeakPolarHBondContact CB-OE2 3.43Å; S400-E431 PolarHBondContact N-OE1 2.87Å; S400-E431 VanDerWaalsContact N-OE1 3.09Å; S400-E431 PolarHBondContact N-OE2 3.01Å; S400-E431 PolarHBondContact OG-OE1 3.02Å; S400-E431 PolarHBondContact OG-OE2 2.76Å; S400-R442 PolarHBondContact OG-NE 3.13Å; S400-R442 PolarHBondContact OG-NH2 2.98Å; S400-R442 VanDerWaalsContact OG-NH2 3.11Å
401	T	92.4	Very high	96.2	Very high	30 Å²	30	34.3 Å²	34.3	18%	0.184	21%	0.209	C	C	.	.	S	Bend	trans	-138.7	147.9	179.1	61.9	0	0	0	0	110.5	T399 R403	T399-T401 PolarHBondContact O-N 3.2Å; T399-T401 PolarHBondContact OG1-O 3.2Å; T401-R403 PolarHBondContact OG1-NH2 3.21Å
402	C	93.3	Very high	96.2	Very high	43 Å²	43	31.2 Å²	31.2	29%	0.291	21%	0.212	S	C	.	.			trans	-60.1	143.4	168.4	-61	0	0	0	0	110.2	Y378 L379 N380 D422	Y378-C402 PolarHBondContact O-SG 3.24Å; L379-C402 WeakPolarHBondContact O-CA 3.39Å; N380-C402 HydrophobicContact CB-CB 4.46Å; C402-D422 WeakPolarHBondContact O-CA 3.43Å; C402-D422 VanDerWaalsContact O-CB 3.24Å; C402-D422 WeakPolarHBondContact O-CB 3.48Å
403	R	94.1	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	23%	0.225	C	C	.	.			trans	-153.6	129.6	-178.8	56.6	-175.2	71	-135.9	5.8	111	G371 G372 L379 T401 V406 G419 Q421 L427 E431	G371-R403 CarbonylContact C-O 3.55Å; G371-R403 WeakPolarHBondContact CA-O 3.22Å; G372-R403 PolarHBondContact N-O 3.48Å; L379-R403 PolarHBondContact O-N 2.92Å; T401-R403 PolarHBondContact OG1-NH2 3.21Å; R403-V406 HydrophobicContact CB-CB 4.42Å; R403-V406 HydrophobicContact CG-CB 4.18Å; R403-V406 HydrophobicContact CG-CG1 4.21Å; R403-V406 HydrophobicContact CG-CG2 4.43Å; R403-G419 PolarHBondContact NH1-O 3.48Å; R403-G419 VanDerWaalsContact NH1-O 3.13Å; R403-Q421 CarbonylContact C-O 3.31Å; R403-Q421 VanDerWaalsContact CA-O 3.29Å; R403-Q421 WeakPolarHBondContact CA-O 3.34Å; R403-L427 HydrophobicContact CB-CD1 4.27Å; R403-E431 IonicContact CZ-OE1 3.72Å; R403-E431 IonicContact NH2-OE1 2.76Å; R403-E431 PolarHBondContact NH2-OE1 2.81Å
404	T	95.4	Very high	96.1	Very high	6 Å²	6	32 Å²	32	4%	0.037	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-119.3	161	165.2	-168.3	0	0	0	0	110.6	C356 Y378 V406 G420 Q421	C356-T404 PolarHBondContact O-OG1 3.43Å; Y378-T404 HydrophobicContact CD1-CG2 3.61Å; Y378-T404 HydrophobicContact CE1-CG2 3.61Å; T404-V406 PolarHBondContact O-N 3.43Å; T404-G420 CarbonylContact O-C 3.55Å; T404-G420 WeakPolarHBondContact O-CA 3.48Å; T404-Q421 HydrophobicContact CG2-CG 3.42Å; T404-Q421 VanDerWaalsContact CG2-CG 3.42Å; T404-Q421 PolarHBondContact N-O 3.12Å; T404-Q421 PolarHBondContact O-N 2.75Å
405	S	95.6	Very high	96.3	Very high	21 Å²	21	28.2 Å²	28.2	15%	0.147	20%	0.196	C	C	.	.	S	Bend	trans	53.4	40	-172.9	-56.2	0	0	0	0	111.9	G357 G452	G357-S405 WeakPolarHBondContact O-CA 3.49Å; G357-S405 PolarHBondContact O-N 3.38Å; S405-G452 WeakPolarHBondContact O-CA 3.29Å; S405-G452 PolarHBondContact O-N 3.28Å
406	V	97.1	Very high	96.4	Very high	10 Å²	10	24.9 Å²	24.9	6%	0.061	18%	0.178	C	C	.	.			trans	-83.1	138.4	179.7	52.6	0	0	0	0	110.3	G359 V370 R403 T404 V408 A417	G359-V406 WeakPolarHBondContact CA-O 3.36Å; V370-V406 WeakPolarHBondContact O-CG1 3.43Å; R403-V406 HydrophobicContact CB-CB 4.42Å; R403-V406 HydrophobicContact CG-CB 4.18Å; R403-V406 HydrophobicContact CG-CG1 4.21Å; R403-V406 HydrophobicContact CG-CG2 4.43Å; T404-V406 PolarHBondContact O-N 3.43Å; V406-V408 HydrophobicContact CG1-CG2 4.33Å; V406-V408 HydrophobicContact CG2-CG2 4.09Å; V406-A417 HydrophobicContact CG2-CB 4.04Å
407	G	97.6	Very high	96.5	Very high	6 Å²	6	24.5 Å²	24.5	6%	0.062	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.7	169.6	0	0	0	0	0	111.1	V418	G407-V418 PolarHBondContact N-O 3.02Å; G407-V418 PolarHBondContact O-N 2.8Å
408	V	98.2	Very high	96.5	Very high	14 Å²	14	23.4 Å²	23.4	9%	0.085	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.9	-177.7	-176.1	0	0	0	0	110.9	V370 V406 L415 Y416	V370-V408 HydrophobicContact CB-CG2 3.99Å; V370-V408 HydrophobicContact CG1-CG2 4.47Å; V370-V408 HydrophobicContact CG2-CG1 4.22Å; V370-V408 HydrophobicContact CG2-CG2 4.15Å; V406-V408 HydrophobicContact CG1-CG2 4.33Å; V406-V408 HydrophobicContact CG2-CG2 4.09Å; V408-L415 HydrophobicContact CG1-CD1 3.41Å; V408-L415 VanDerWaalsContact CG1-CD1 3.41Å; V408-L415 HydrophobicContact CG1-CD2 4.2Å; V408-L415 HydrophobicContact CG1-CG 3.75Å; V408-Y416 VanDerWaalsContact CA-O 3.27Å; V408-Y416 WeakPolarHBondContact CA-O 3.24Å
409	A	98.1	Very high	96.5	Very high	8 Å²	8	20 Å²	20	7%	0.066	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.8	174.6	0	0	0	0	0	111.7	Y416 V455 V457 L462	A409-Y416 PolarHBondContact N-O 3.3Å; A409-Y416 PolarHBondContact O-N 2.88Å; A409-V455 HydrophobicContact CB-CB 4.34Å; A409-V455 HydrophobicContact CB-CG1 3.61Å; A409-V457 HydrophobicContact CB-CG2 3.84Å; A409-L462 HydrophobicContact CB-CD1 3.81Å
410	V	98.2	Very high	96.4	Very high	39 Å²	39	19.8 Å²	19.8	24%	0.236	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.5	179.5	173.7	0	0	0	0	111.2	V362 L363 F414 L415 V457	V362-V410 VanDerWaalsContact O-CG2 3.27Å; V362-V410 WeakPolarHBondContact O-CG2 3.26Å; L363-V410 HydrophobicContact CB-CG2 3.88Å; L363-V410 HydrophobicContact CD1-CG1 3.7Å; L363-V410 HydrophobicContact CD1-CG2 4.23Å; V410-F414 VanDerWaalsContact CA-O 3.3Å; V410-F414 WeakPolarHBondContact CA-O 3.45Å; V410-L415 HydrophobicContact CG2-CD1 3.61Å; V410-V457 WeakPolarHBondContact O-CG2 3.45Å
411	L	97.1	Very high	96.5	Very high	16 Å²	16	19.4 Å²	19.4	8%	0.084	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	121.4	175.5	171.7	62.1	0	0	0	110.2	G413 F414 Y416 V457 G460 L462 P482	L411-G413 VanDerWaalsContact C-N 3.33Å; L411-G413 PolarHBondContact O-N 2.85Å; L411-F414 PolarHBondContact N-O 3.31Å; L411-F414 PolarHBondContact O-N 2.83Å; L411-Y416 HydrophobicContact CB-CD2 4.13Å; L411-Y416 HydrophobicContact CB-CE2 3.77Å; L411-Y416 HydrophobicContact CG-CE2 4.43Å; L411-Y416 WeakPolarHBondContact O-CE2 3.41Å; L411-V457 HydrophobicContact CB-CG1 4.22Å; L411-V457 HydrophobicContact CB-CG2 4.16Å; L411-V457 HydrophobicContact CD1-CG1 3.74Å; L411-V457 HydrophobicContact CG-CG1 4.49Å; L411-G460 WeakPolarHBondContact CD1-O 3.48Å; L411-L462 HydrophobicContact CD2-CB 3.9Å; L411-P482 HydrophobicContact CD2-CB 4.38Å; L411-P482 HydrophobicContact CD2-CG 3.92Å
412	G	92.8	Very high	96.5	Very high	67 Å²	67	20.3 Å²	20.3	69%	0.691	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	34.3	176.7	0	0	0	0	0	114.2	F414	G412-F414 VanDerWaalsContact C-N 3.3Å; G412-F414 WeakPolarHBondContact O-CD2 3.48Å; G412-F414 WeakPolarHBondContact O-CE2 3.48Å; G412-F414 PolarHBondContact O-N 3.07Å
413	G	94.4	Very high	96.3	Very high	37 Å²	37	20 Å²	20	38%	0.381	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	7.8	-178.7	0	0	0	0	0	114.8	L411	L411-G413 VanDerWaalsContact C-N 3.33Å; L411-G413 PolarHBondContact O-N 2.85Å
414	F	98.2	Very high	96.1	Very high	52 Å²	52	26.7 Å²	26.7	23%	0.228	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.8	176.9	-57.4	-84.8	0	0	0	111.2	V410 L411 G412 Y416 R432 Y433 D434	V410-F414 VanDerWaalsContact CA-O 3.3Å; V410-F414 WeakPolarHBondContact CA-O 3.45Å; L411-F414 PolarHBondContact N-O 3.31Å; L411-F414 PolarHBondContact O-N 2.83Å; G412-F414 VanDerWaalsContact C-N 3.3Å; G412-F414 WeakPolarHBondContact O-CD2 3.48Å; G412-F414 WeakPolarHBondContact O-CE2 3.48Å; G412-F414 PolarHBondContact O-N 3.07Å; F414-Y416 HydrophobicContact CB-CD2 4.44Å; F414-Y416 HydrophobicContact CB-CE2 3.81Å; F414-Y416 WeakPolarHBondContact O-CD2 3.24Å; F414-R432 HydrophobicContact CB-CG 3.47Å; F414-R432 VanDerWaalsContact CB-CG 3.47Å; F414-R432 HydrophobicContact CD1-CG 4.07Å; F414-R432 HydrophobicContact CG-CG 3.9Å; F414-Y433 WeakPolarHBondContact CA-O 3.35Å; F414-Y433 WeakPolarHBondContact CB-O 3.37Å; F414-Y433 WeakPolarHBondContact CD1-O 3.36Å; F414-D434 HydrophobicContact CD1-CB 4.03Å; F414-D434 HydrophobicContact CE1-CB 3.89Å; F414-D434 WeakPolarHBondContact CE1-OD2 3.42Å
415	L	98.4	Very high	96	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130	172.9	-172.1	76.1	0	0	0	109.4	L363 Y368 V370 V408 V410 R432 Y433 W440	L363-L415 HydrophobicContact CD2-CB 4.2Å; Y368-L415 HydrophobicContact CD1-CD2 4.07Å; Y368-L415 HydrophobicContact CG-CD2 3.97Å; V370-L415 HydrophobicContact CG2-CD2 3.89Å; V408-L415 HydrophobicContact CG1-CD1 3.41Å; V408-L415 VanDerWaalsContact CG1-CD1 3.41Å; V408-L415 HydrophobicContact CG1-CD2 4.2Å; V408-L415 HydrophobicContact CG1-CG 3.75Å; V410-L415 HydrophobicContact CG2-CD1 3.61Å; L415-R432 CarbonylContact O-C 3.55Å; L415-R432 WeakPolarHBondContact O-CA 3.47Å; L415-Y433 HydrophobicContact CB-CD1 4.29Å; L415-Y433 PolarHBondContact N-O 3.39Å; L415-Y433 PolarHBondContact O-N 3.44Å; L415-W440 HydrophobicContact CD2-CH2 3.89Å; L415-W440 HydrophobicContact CD2-CZ2 4.24Å; L415-W440 HydrophobicContact CG-CH2 4.29Å
416	Y	98.7	Very high	96	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.6	178.8	-70.9	-101.8	0	0	0	110.5	V408 A409 L411 F414 V430 E431 R432 V443 L462 Y480	V408-Y416 VanDerWaalsContact CA-O 3.27Å; V408-Y416 WeakPolarHBondContact CA-O 3.24Å; A409-Y416 PolarHBondContact N-O 3.3Å; A409-Y416 PolarHBondContact O-N 2.88Å; L411-Y416 HydrophobicContact CB-CD2 4.13Å; L411-Y416 HydrophobicContact CB-CE2 3.77Å; L411-Y416 HydrophobicContact CG-CE2 4.43Å; L411-Y416 WeakPolarHBondContact O-CE2 3.41Å; F414-Y416 HydrophobicContact CB-CD2 4.44Å; F414-Y416 HydrophobicContact CB-CE2 3.81Å; F414-Y416 WeakPolarHBondContact O-CD2 3.24Å; Y416-V430 HydrophobicContact CD1-CG1 4.21Å; Y416-E431 CarbonylContact C-O 3.55Å; Y416-E431 WeakPolarHBondContact CA-O 3.17Å; Y416-R432 HydrophobicContact CD1-CB 4.04Å; Y416-R432 HydrophobicContact CD1-CG 4.2Å; Y416-R432 HydrophobicContact CD2-CG 4.43Å; Y416-R432 HydrophobicContact CE1-CB 3.84Å; Y416-R432 HydrophobicContact CE1-CG 3.76Å; Y416-R432 HydrophobicContact CE2-CG 4Å; Y416-R432 VanDerWaalsContact OH-CD 3.27Å; Y416-R432 WeakPolarHBondContact OH-CD 3.4Å; Y416-V443 HydrophobicContact CD1-CG2 4.46Å; Y416-V443 HydrophobicContact CE1-CG2 4.36Å; Y416-L462 HydrophobicContact CD1-CD2 4Å; Y416-L462 HydrophobicContact CG-CD2 3.89Å; Y416-Y480 HydrophobicContact CE1-CD1 4.41Å; Y416-Y480 AromaticContact CE1-CE1 3.79Å; Y416-Y480 HydrophobicContact CE1-CE1 3.79Å
417	A	98.4	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.1	170.6	0	0	0	0	0	109.2	V370 V406 V430 E431 W440	V370-A417 HydrophobicContact CG1-CB 4.3Å; V406-A417 HydrophobicContact CG2-CB 4.04Å; A417-V430 WeakPolarHBondContact O-CA 3.49Å; A417-E431 PolarHBondContact N-O 2.86Å; A417-E431 PolarHBondContact O-N 3.23Å; A417-W440 HydrophobicContact CB-CH2 4Å; A417-W440 HydrophobicContact CB-CZ3 3.64Å
418	V	98.5	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.6	-167.3	-173.4	0	0	0	0	110.2	G407 V430 M446 V453 V455 L462 A464 W487	G407-V418 PolarHBondContact N-O 3.02Å; G407-V418 PolarHBondContact O-N 2.8Å; V418-V430 HydrophobicContact CG1-CG2 4.19Å; V418-V430 HydrophobicContact CG2-CG1 4.12Å; V418-M446 HydrophobicContact CG1-CE 3.68Å; V418-M446 HydrophobicContact CG1-SD 3.46Å; V418-M446 WeakPolarHBondContact CG1-SD 3.38Å; V418-V453 VanDerWaalsContact O-CG1 3.29Å; V418-V453 WeakPolarHBondContact O-CG1 3.38Å; V418-V455 HydrophobicContact CB-CG2 3.91Å; V418-V455 HydrophobicContact CG1-CG2 4.26Å; V418-V455 HydrophobicContact CG2-CG1 4.33Å; V418-V455 HydrophobicContact CG2-CG2 4.05Å; V418-L462 HydrophobicContact CG2-CD2 3.86Å; V418-A464 HydrophobicContact CG1-CB 4.22Å; V418-W487 HydrophobicContact CG1-CH2 4.21Å; V418-W487 HydrophobicContact CG1-CZ2 4.49Å
419	G	97.6	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	21%	0.205	C	C	.	.			trans	63.7	-142.3	176.3	0	0	0	0	0	113.7	R403 L427 I429 R450	R403-G419 PolarHBondContact NH1-O 3.48Å; R403-G419 VanDerWaalsContact NH1-O 3.13Å; G419-L427 WeakPolarHBondContact CA-O 3.5Å; G419-I429 PolarHBondContact N-O 3.18Å; G419-R450 WeakPolarHBondContact CA-O 3.24Å
420	G	96.9	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.201	C	C	.	.			trans	103.2	-164.4	-172.6	0	0	0	0	0	112.4	T404 L427 R450	T404-G420 CarbonylContact O-C 3.55Å; T404-G420 WeakPolarHBondContact O-CA 3.48Å; G420-L427 WeakPolarHBondContact O-CB 3.49Å; G420-L427 PolarHBondContact O-N 2.85Å; G420-R450 PolarHBondContact N-O 3.47Å
421	Q	95.3	Very high	96	Very high	55 Å²	55	28.7 Å²	28.7	26%	0.257	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-134.5	142.3	171	66.3	-177.7	-17.1	0	0	110.5	Y378 R403 T404 S425 L451	Y378-Q421 HydrophobicContact CE1-CG 4.29Å; R403-Q421 CarbonylContact C-O 3.31Å; R403-Q421 VanDerWaalsContact CA-O 3.29Å; R403-Q421 WeakPolarHBondContact CA-O 3.34Å; T404-Q421 HydrophobicContact CG2-CG 3.42Å; T404-Q421 VanDerWaalsContact CG2-CG 3.42Å; T404-Q421 PolarHBondContact N-O 3.12Å; T404-Q421 PolarHBondContact O-N 2.75Å; Q421-S425 WeakPolarHBondContact CA-O 3.38Å; Q421-L451 HydrophobicContact CB-CB 4.24Å
422	D	93.4	Very high	96.1	Very high	50 Å²	50	31.5 Å²	31.5	27%	0.267	20%	0.2	S	C	.	.			trans	-96.6	4.3	-178	62.2	4.2	0	0	0	113.9	C402 V424 S425 L427	C402-D422 WeakPolarHBondContact O-CA 3.43Å; C402-D422 VanDerWaalsContact O-CB 3.24Å; C402-D422 WeakPolarHBondContact O-CB 3.48Å; D422-V424 WeakPolarHBondContact OD1-CA 3.42Å; D422-V424 PolarHBondContact OD1-N 2.9Å; D422-S425 PolarHBondContact N-O 3.15Å; D422-S425 PolarHBondContact OD1-N 3.3Å; D422-L427 HydrophobicContact CB-CD1 4.27Å; D422-L427 HydrophobicContact CB-CD2 4.3Å
423	G	89.3	Confident	96.3	Very high	37 Å²	37	28.7 Å²	28.7	38%	0.381	17%	0.169	S	C	.	.	S	Bend	trans	93.9	-10.4	-174.2	0	0	0	0	0	114.4
424	V	90.1	Very high	96.5	Very high	139 Å²	139	28.6 Å²	28.6	84%	0.842	16%	0.16	S	C	*	.	S	Bend	trans	-114.6	-43.7	174.9	-177.4	0	0	0	0	110.6	D422	D422-V424 WeakPolarHBondContact OD1-CA 3.42Å; D422-V424 PolarHBondContact OD1-N 2.9Å
425	S	92.5	Very high	96.4	Very high	45 Å²	45	27.8 Å²	27.8	32%	0.315	16%	0.16	S	C	.	.	S	Bend	trans	-144.4	154.9	-172.7	71.6	0	0	0	0	113.5	Q421 D422	Q421-S425 WeakPolarHBondContact CA-O 3.38Å; D422-S425 PolarHBondContact N-O 3.15Å; D422-S425 PolarHBondContact OD1-N 3.3Å
426	C	95.6	Very high	96.3	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.081	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-72.3	132.8	167.1	-174.9	0	0	0	0	109.9	R449 R450 L451 S468 D469	C426-R449 HydrophobicContact CB-CB 4.04Å; C426-R450 VanDerWaalsContact SG-CA 3.59Å; C426-R450 PolarHBondContact SG-N 2.88Å; C426-L451 HydrophobicContact CB-CD2 3.98Å; C426-L451 PolarHBondContact SG-N 2.94Å; C426-S468 PolarHBondContact SG-O 3.3Å; C426-D469 WeakPolarHBondContact CB-O 3.48Å
427	L	96.8	Very high	96.2	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.037	23%	0.229	C	C	.	.			trans	-98.7	139.6	-171.2	-56	176.2	0	0	0	111.5	R403 G419 G420 D422 I429 R450	R403-L427 HydrophobicContact CB-CD1 4.27Å; G419-L427 WeakPolarHBondContact CA-O 3.5Å; G420-L427 WeakPolarHBondContact O-CB 3.49Å; G420-L427 PolarHBondContact O-N 2.85Å; D422-L427 HydrophobicContact CB-CD1 4.27Å; D422-L427 HydrophobicContact CB-CD2 4.3Å; L427-I429 HydrophobicContact CD2-CD1 4.38Å; L427-R450 PolarHBondContact O-N 3.27Å
428	N	97.7	Very high	96.1	Very high	48 Å²	48	46.3 Å²	46.3	26%	0.257	25%	0.246	S	C	.	.			trans	-105.1	2.6	161.6	67.7	-25.5	0	0	0	112.3	S445 M446 T448 R449	N428-S445 WeakPolarHBondContact O-CA 3.27Å; N428-S445 WeakPolarHBondContact O-CB 3.34Å; N428-M446 HydrophobicContact CB-CB 4.19Å; N428-M446 WeakPolarHBondContact CB-O 3.43Å; N428-M446 PolarHBondContact ND2-O 3.36Å; N428-M446 PolarHBondContact O-N 3.2Å; N428-T448 WeakPolarHBondContact CB-O 3.47Å; N428-R449 HydrophobicContact CB-CG 4.29Å
429	I	97.5	Very high	96.1	Very high	31 Å²	31	52.3 Å²	52.3	16%	0.159	27%	0.272	C	S	.	.			trans	-69.3	139.2	-176.9	-59.8	175.4	0	0	0	109.9	G419 L427 E431	G419-I429 PolarHBondContact N-O 3.18Å; L427-I429 HydrophobicContact CD2-CD1 4.38Å; I429-E431 HydrophobicContact CG2-CG 4.28Å
430	V	98.4	Very high	96.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.2	175.6	-172.3	0	0	0	0	109.2	Y416 A417 V418 V443 M446 W487	Y416-V430 HydrophobicContact CD1-CG1 4.21Å; A417-V430 WeakPolarHBondContact O-CA 3.49Å; V418-V430 HydrophobicContact CG1-CG2 4.19Å; V418-V430 HydrophobicContact CG2-CG1 4.12Å; V430-V443 HydrophobicContact CB-CG2 3.72Å; V430-V443 HydrophobicContact CG1-CG2 3.53Å; V430-V443 PolarHBondContact O-N 3.44Å; V430-M446 HydrophobicContact CG2-CE 4.49Å; V430-M446 HydrophobicContact CG2-CG 4.04Å; V430-W487 HydrophobicContact CG1-CZ2 4.3Å; V430-W487 HydrophobicContact CG2-CZ2 3.76Å
431	E	98.5	Very high	96.2	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.2	175.8	-61.6	-171.1	-125.9	0	0	109.9	S400 R403 Y416 A417 I429 W440 T441 R442	S400-E431 WeakPolarHBondContact CB-OE1 3.36Å; S400-E431 WeakPolarHBondContact CB-OE2 3.43Å; S400-E431 PolarHBondContact N-OE1 2.87Å; S400-E431 VanDerWaalsContact N-OE1 3.09Å; S400-E431 PolarHBondContact N-OE2 3.01Å; S400-E431 PolarHBondContact OG-OE1 3.02Å; S400-E431 PolarHBondContact OG-OE2 2.76Å; R403-E431 IonicContact CZ-OE1 3.72Å; R403-E431 IonicContact NH2-OE1 2.76Å; R403-E431 PolarHBondContact NH2-OE1 2.81Å; Y416-E431 CarbonylContact C-O 3.55Å; Y416-E431 WeakPolarHBondContact CA-O 3.17Å; A417-E431 PolarHBondContact N-O 2.86Å; A417-E431 PolarHBondContact O-N 3.23Å; I429-E431 HydrophobicContact CG2-CG 4.28Å; E431-W440 HydrophobicContact CB-CE3 3.67Å; E431-W440 HydrophobicContact CB-CZ3 4.3Å; E431-T441 WeakPolarHBondContact CA-O 3.31Å; E431-R442 HydrophobicContact CG-CG 4.08Å
432	R	98.4	Very high	96.4	Very high	75 Å²	75	60.8 Å²	60.8	28%	0.283	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.4	176.6	-176	-170.5	75.9	179.3	2.1	109.4	F414 L415 Y416 W440 T441 V443	F414-R432 HydrophobicContact CB-CG 3.47Å; F414-R432 VanDerWaalsContact CB-CG 3.47Å; F414-R432 HydrophobicContact CD1-CG 4.07Å; F414-R432 HydrophobicContact CG-CG 3.9Å; L415-R432 CarbonylContact O-C 3.55Å; L415-R432 WeakPolarHBondContact O-CA 3.47Å; Y416-R432 HydrophobicContact CD1-CB 4.04Å; Y416-R432 HydrophobicContact CD1-CG 4.2Å; Y416-R432 HydrophobicContact CD2-CG 4.43Å; Y416-R432 HydrophobicContact CE1-CB 3.84Å; Y416-R432 HydrophobicContact CE1-CG 3.76Å; Y416-R432 HydrophobicContact CE2-CG 4Å; Y416-R432 VanDerWaalsContact OH-CD 3.27Å; Y416-R432 WeakPolarHBondContact OH-CD 3.4Å; R432-W440 CarbonylContact O-C 3.55Å; R432-W440 WeakPolarHBondContact O-CA 3.37Å; R432-T441 PolarHBondContact N-O 3.32Å; R432-T441 PolarHBondContact O-N 3.19Å; R432-V443 HydrophobicContact CB-CG1 3.84Å
433	Y	98.7	Very high	96.6	Very high	9 Å²	9	59.3 Å²	59.3	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130	174.3	177	-109.5	0	0	0	111	L363 Y368 V396 F414 L415 P435 N438 K439 W440	L363-Y433 HydrophobicContact CD2-CD1 4.49Å; Y368-Y433 HydrophobicContact CE1-CE1 4.09Å; V396-Y433 HydrophobicContact CG1-CD2 4.45Å; V396-Y433 HydrophobicContact CG1-CE1 4.32Å; V396-Y433 HydrophobicContact CG1-CE2 3.79Å; F414-Y433 WeakPolarHBondContact CA-O 3.35Å; F414-Y433 WeakPolarHBondContact CB-O 3.37Å; F414-Y433 WeakPolarHBondContact CD1-O 3.36Å; L415-Y433 HydrophobicContact CB-CD1 4.29Å; L415-Y433 PolarHBondContact N-O 3.39Å; L415-Y433 PolarHBondContact O-N 3.44Å; Y433-P435 HydrophobicContact CE1-CB 3.9Å; Y433-N438 WeakPolarHBondContact CE2-OD1 3.3Å; Y433-N438 PolarHBondContact OH-OD1 3.07Å; Y433-K439 WeakPolarHBondContact CA-O 3.4Å; Y433-W440 AromaticContact CD2-CD1 3.85Å; Y433-W440 HydrophobicContact CD2-CD2 4.12Å; Y433-W440 AromaticContact CD2-CE2 3.76Å; Y433-W440 HydrophobicContact CD2-CG 4.18Å; Y433-W440 HydrophobicContact CD2-CZ2 4.29Å; Y433-W440 AromaticContact CD2-NE1 3.57Å; Y433-W440 HydrophobicContact CG-CD2 4.31Å; Y433-W440 AromaticContact CG-CE2 3.96Å; Y433-W440 HydrophobicContact CG-CZ2 4.07Å
434	D	98	Very high	97	Very high	34 Å²	34	58.8 Å²	58.8	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.6	168.2	-170.9	-25.3	0	0	0	109.5	F414 K436 E437 N438 K439	F414-D434 HydrophobicContact CD1-CB 4.03Å; F414-D434 HydrophobicContact CE1-CB 3.89Å; F414-D434 WeakPolarHBondContact CE1-OD2 3.42Å; D434-K436 PolarHBondContact O-N 2.87Å; D434-K436 WeakPolarHBondContact OD1-CB 3.4Å; D434-K436 PolarHBondContact OD1-N 3.16Å; D434-E437 HydrophobicContact CB-CB 4.24Å; D434-E437 HydrophobicContact CB-CG 4.48Å; D434-E437 PolarHBondContact O-N 2.85Å; D434-N438 WeakPolarHBondContact O-CA 3.46Å; D434-N438 PolarHBondContact O-N 3.45Å; D434-K439 PolarHBondContact N-O 2.85Å; D434-K439 PolarHBondContact O-N 3.29Å
435	P	95.9	Very high	97.4	Very high	36 Å²	36	54.9 Å²	54.9	23%	0.234	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.8	179.3	29.7	-37.3	0	0	0	113.3	L363 Y433	L363-P435 HydrophobicContact CD2-CB 4.1Å; L363-P435 HydrophobicContact CD2-CG 3.91Å; Y433-P435 HydrophobicContact CE1-CB 3.9Å
436	K	95.6	Very high	97.7	Very high	187 Å²	187	52.9 Å²	52.9	81%	0.813	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-38.3	179.8	-62.4	-179.7	178.5	178	0	111.8	D434	D434-K436 PolarHBondContact O-N 2.87Å; D434-K436 WeakPolarHBondContact OD1-CB 3.4Å; D434-K436 PolarHBondContact OD1-N 3.16Å
437	E	96.5	Very high	97.8	Very high	139 Å²	139	56.4 Å²	56.4	65%	0.65	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.7	-178.7	-59.7	-61.5	146.2	0	0	112.8	D434 K439	D434-E437 HydrophobicContact CB-CB 4.24Å; D434-E437 HydrophobicContact CB-CG 4.48Å; D434-E437 PolarHBondContact O-N 2.85Å; E437-K439 HydrophobicContact CB-CB 4.11Å; E437-K439 PolarHBondContact O-N 2.78Å
438	N	97.6	Very high	97.8	Very high	66 Å²	66	58.2 Å²	58.2	35%	0.353	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	50.5	-170.3	-169.7	15.2	0	0	0	111.9	D395 A397 Y433 D434	D395-N438 PolarHBondContact O-ND2 2.79Å; A397-N438 WeakPolarHBondContact CB-O 3.29Å; A397-N438 PolarHBondContact N-OD1 2.71Å; Y433-N438 WeakPolarHBondContact CE2-OD1 3.3Å; Y433-N438 PolarHBondContact OH-OD1 3.07Å; D434-N438 WeakPolarHBondContact O-CA 3.46Å; D434-N438 PolarHBondContact O-N 3.45Å
439	K	98.1	Very high	97.8	Very high	125 Å²	125	62.6 Å²	62.6	54%	0.543	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	132.9	-170.1	-173.8	177.5	178.8	-178.6	0	112.9	Y433 D434 E437	Y433-K439 WeakPolarHBondContact CA-O 3.4Å; D434-K439 PolarHBondContact N-O 2.85Å; D434-K439 PolarHBondContact O-N 3.29Å; E437-K439 HydrophobicContact CB-CB 4.11Å; E437-K439 PolarHBondContact O-N 2.78Å
440	W	98.6	Very high	97.8	Very high	21 Å²	21	61.1 Å²	61.1	8%	0.08	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	135	167.3	-67	90.9	0	0	0	111.1	V370 V382 A397 P398 T399 L415 A417 E431 R432 Y433	V370-W440 HydrophobicContact CG1-CH2 4.28Å; V370-W440 HydrophobicContact CG1-CZ2 4.38Å; V370-W440 HydrophobicContact CG2-CH2 4.36Å; V370-W440 HydrophobicContact CG2-CZ2 4.44Å; V382-W440 HydrophobicContact CG2-CZ2 4Å; A397-W440 PolarHBondContact O-NE1 3.21Å; P398-W440 VanDerWaalsContact O-CD1 3.26Å; T399-W440 HydrophobicContact CG2-CD2 3.85Å; T399-W440 HydrophobicContact CG2-CE3 4.17Å; T399-W440 HydrophobicContact CG2-CG 4.36Å; T399-W440 HydrophobicContact CG2-CH2 4.23Å; T399-W440 HydrophobicContact CG2-CZ2 3.92Å; T399-W440 HydrophobicContact CG2-CZ3 4.35Å; L415-W440 HydrophobicContact CD2-CH2 3.89Å; L415-W440 HydrophobicContact CD2-CZ2 4.24Å; L415-W440 HydrophobicContact CG-CH2 4.29Å; A417-W440 HydrophobicContact CB-CH2 4Å; A417-W440 HydrophobicContact CB-CZ3 3.64Å; E431-W440 HydrophobicContact CB-CE3 3.67Å; E431-W440 HydrophobicContact CB-CZ3 4.3Å; R432-W440 CarbonylContact O-C 3.55Å; R432-W440 WeakPolarHBondContact O-CA 3.37Å; Y433-W440 AromaticContact CD2-CD1 3.85Å; Y433-W440 HydrophobicContact CD2-CD2 4.12Å; Y433-W440 AromaticContact CD2-CE2 3.76Å; Y433-W440 HydrophobicContact CD2-CG 4.18Å; Y433-W440 HydrophobicContact CD2-CZ2 4.29Å; Y433-W440 AromaticContact CD2-NE1 3.57Å; Y433-W440 HydrophobicContact CG-CD2 4.31Å; Y433-W440 AromaticContact CG-CE2 3.96Å; Y433-W440 HydrophobicContact CG-CZ2 4.07Å
441	T	98.3	Very high	97.6	Very high	67 Å²	67	62 Å²	62	41%	0.411	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.9	175.6	-54.8	0	0	0	0	109.6	E431 R432	E431-T441 WeakPolarHBondContact CA-O 3.31Å; R432-T441 PolarHBondContact N-O 3.32Å; R432-T441 PolarHBondContact O-N 3.19Å
442	R	98.1	Very high	97.5	Very high	145 Å²	145	62.2 Å²	62.2	55%	0.547	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.5	174.7	-70.6	-177.9	-178.7	-177.7	0.5	110.4	S400 E431	S400-R442 PolarHBondContact OG-NE 3.13Å; S400-R442 PolarHBondContact OG-NH2 2.98Å; S400-R442 VanDerWaalsContact OG-NH2 3.11Å; E431-R442 HydrophobicContact CG-CG 4.08Å
443	V	98.4	Very high	97.4	Very high	19 Å²	19	59 Å²	59	12%	0.115	30%	0.296	C	S	.	.			trans	-111.3	-176.7	170.3	-61.5	0	0	0	0	109.3	Y416 V430 R432 S445	Y416-V443 HydrophobicContact CD1-CG2 4.46Å; Y416-V443 HydrophobicContact CE1-CG2 4.36Å; V430-V443 HydrophobicContact CB-CG2 3.72Å; V430-V443 HydrophobicContact CG1-CG2 3.53Å; V430-V443 PolarHBondContact O-N 3.44Å; R432-V443 HydrophobicContact CB-CG1 3.84Å; V443-S445 PolarHBondContact O-N 3.06Å
444	A	98.4	Very high	97.4	Very high	26 Å²	26	59.1 Å²	59.1	22%	0.215	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-54.6	133.8	177.5	0	0	0	0	0	111.1	Y480 N485 W487	A444-Y480 HydrophobicContact CB-CE2 4.31Å; A444-N485 WeakPolarHBondContact CB-O 3.41Å; A444-N485 WeakPolarHBondContact CB-OD1 3.43Å; A444-N485 PolarHBondContact N-OD1 3.35Å; A444-W487 PolarHBondContact O-NE1 2.82Å
445	S	98.4	Very high	97.4	Very high	57 Å²	57	58.4 Å²	58.4	40%	0.399	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-77.4	152.2	177.9	-61.1	0	0	0	0	110.4	N428 V443	N428-S445 WeakPolarHBondContact O-CA 3.27Å; N428-S445 WeakPolarHBondContact O-CB 3.34Å; V443-S445 PolarHBondContact O-N 3.06Å
446	M	98.3	Very high	97.5	Very high	3 Å²	3	57 Å²	57	2%	0.015	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64.3	157	171.8	-64.4	177.6	-65.9	0	0	110.4	V418 N428 V430 T448 R450 A464 W487	V418-M446 HydrophobicContact CG1-CE 3.68Å; V418-M446 HydrophobicContact CG1-SD 3.46Å; V418-M446 WeakPolarHBondContact CG1-SD 3.38Å; N428-M446 HydrophobicContact CB-CB 4.19Å; N428-M446 WeakPolarHBondContact CB-O 3.43Å; N428-M446 PolarHBondContact ND2-O 3.36Å; N428-M446 PolarHBondContact O-N 3.2Å; V430-M446 HydrophobicContact CG2-CE 4.49Å; V430-M446 HydrophobicContact CG2-CG 4.04Å; M446-T448 VanDerWaalsContact C-N 3.31Å; M446-T448 WeakPolarHBondContact CB-O 3.49Å; M446-R450 HydrophobicContact CE-CB 4.22Å; M446-R450 HydrophobicContact CE-CG 4.23Å; M446-R450 HydrophobicContact SD-CG 4.44Å; M446-A464 HydrophobicContact SD-CB 3.57Å; M446-A464 VanDerWaalsContact SD-CB 3.57Å; M446-W487 HydrophobicContact CG-CD2 3.82Å; M446-W487 HydrophobicContact CG-CE3 4.12Å; M446-W487 HydrophobicContact CG-CG 4.4Å; M446-W487 HydrophobicContact CG-CH2 4.1Å; M446-W487 HydrophobicContact CG-CZ2 3.81Å; M446-W487 HydrophobicContact CG-CZ3 4.25Å; M446-W487 HydrophobicContact SD-CH2 4.34Å
447	S	97.3	Very high	97.6	Very high	87 Å²	87	50.2 Å²	50.2	61%	0.608	26%	0.261	S	S	*	.	S	Bend	trans	-70.8	-34.6	175.3	-39.3	0	0	0	0	110.6	E478	S447-E478 WeakPolarHBondContact CB-OE2 3.47Å; S447-E478 PolarHBondContact N-OE2 3.11Å; S447-E478 PolarHBondContact OG-OE2 3.1Å
448	T	96.6	Very high	97.4	Very high	45 Å²	45	44.5 Å²	44.5	28%	0.276	24%	0.235	S	C	.	.	S	Bend	trans	-111.9	141.5	-179.1	-54.2	0	0	0	0	110.9	N428 M446 L474 E478	N428-T448 WeakPolarHBondContact CB-O 3.47Å; M446-T448 VanDerWaalsContact C-N 3.31Å; M446-T448 WeakPolarHBondContact CB-O 3.49Å; T448-L474 HydrophobicContact CG2-CD1 3.76Å; T448-E478 PolarHBondContact N-OE1 3.47Å
449	R	97.5	Very high	97.1	Very high	139 Å²	139	44.4 Å²	44.4	53%	0.525	25%	0.25	S	C	.	.			trans	-72.3	134.5	172.8	-50.9	168.3	-168.5	-111	3.3	108.8	C426 N428 D469	C426-R449 HydrophobicContact CB-CB 4.04Å; N428-R449 HydrophobicContact CB-CG 4.29Å; R449-D469 WeakPolarHBondContact O-CA 3.17Å
450	R	97.7	Very high	96.9	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	25%	0.246	C	C	.	.			trans	-141.7	119.9	-177.4	-50.9	176.1	-179.5	-92.2	-4.4	111.5	G419 G420 C426 L427 M446 V453 G466 S468 L474 T476 E478	G419-R450 WeakPolarHBondContact CA-O 3.24Å; G420-R450 PolarHBondContact N-O 3.47Å; C426-R450 VanDerWaalsContact SG-CA 3.59Å; C426-R450 PolarHBondContact SG-N 2.88Å; L427-R450 PolarHBondContact O-N 3.27Å; M446-R450 HydrophobicContact CE-CB 4.22Å; M446-R450 HydrophobicContact CE-CG 4.23Å; M446-R450 HydrophobicContact SD-CG 4.44Å; R450-V453 HydrophobicContact CB-CB 3.79Å; R450-V453 HydrophobicContact CB-CG1 4.37Å; R450-V453 HydrophobicContact CB-CG2 4.11Å; R450-G466 PolarHBondContact NH1-O 3Å; R450-S468 CarbonylContact C-O 3.51Å; R450-S468 WeakPolarHBondContact CA-O 3.5Å; R450-L474 HydrophobicContact CG-CD1 4.01Å; R450-T476 PolarHBondContact NH1-O 3.31Å; R450-T476 PolarHBondContact NH1-OG1 2.99Å; R450-T476 VanDerWaalsContact NH1-OG1 3.16Å; R450-T476 PolarHBondContact NH2-OG1 3.45Å; R450-E478 IonicContact CZ-OE1 3.19Å; R450-E478 IonicContact NE-OE1 3.06Å; R450-E478 PolarHBondContact NE-OE1 3.32Å; R450-E478 IonicContact NH2-OE1 2.76Å; R450-E478 PolarHBondContact NH2-OE1 3.43Å
451	L	95.4	Very high	96.8	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.099	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-108.7	145.6	164.1	78.7	109	0	0	0	109.6	Q421 C426 V453 G467 S468	Q421-L451 HydrophobicContact CB-CB 4.24Å; C426-L451 HydrophobicContact CB-CD2 3.98Å; C426-L451 PolarHBondContact SG-N 2.94Å; L451-V453 PolarHBondContact O-N 3.1Å; L451-G467 CarbonylContact O-C 3.46Å; L451-G467 WeakPolarHBondContact O-CA 3.48Å; L451-S468 PolarHBondContact N-O 3.17Å; L451-S468 PolarHBondContact O-N 3.11Å
452	G	95.1	Very high	96.8	Very high	7 Å²	7	38.7 Å²	38.7	7%	0.072	23%	0.232	C	C	.	.	S	Bend	trans	63.9	30.1	-175.1	0	0	0	0	0	112.7	S405 H499	S405-G452 WeakPolarHBondContact O-CA 3.29Å; S405-G452 PolarHBondContact O-N 3.28Å; G452-H499 PolarHBondContact O-N 3.2Å; G452-H499 VanDerWaalsContact O-N 3.1Å
453	V	97.6	Very high	96.9	Very high	8 Å²	8	32 Å²	32	5%	0.048	21%	0.207	C	C	.	.			trans	-74.1	139.7	176.7	63.5	0	0	0	0	109.8	V418 R450 L451 V455 A464	V418-V453 VanDerWaalsContact O-CG1 3.29Å; V418-V453 WeakPolarHBondContact O-CG1 3.38Å; R450-V453 HydrophobicContact CB-CB 3.79Å; R450-V453 HydrophobicContact CB-CG1 4.37Å; R450-V453 HydrophobicContact CB-CG2 4.11Å; L451-V453 PolarHBondContact O-N 3.1Å; V453-V455 HydrophobicContact CG1-CG2 4.39Å; V453-A464 HydrophobicContact CG2-CB 3.99Å
454	A	97.6	Very high	96.9	Very high	10 Å²	10	31.1 Å²	31.1	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.7	170.7	0	0	0	0	0	109.9	V465 L500 C502	A454-V465 PolarHBondContact N-O 3.24Å; A454-V465 PolarHBondContact O-N 3.04Å; A454-L500 HydrophobicContact CB-CD1 4.31Å; A454-L500 HydrophobicContact CB-CD2 3.61Å; A454-L500 HydrophobicContact CB-CG 3.62Å; A454-C502 HydrophobicContact CB-CB 3.36Å
455	V	98	Very high	96.9	Very high	20 Å²	20	29.9 Å²	29.9	12%	0.121	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.1	-171.1	-178.2	0	0	0	0	110.2	A409 V418 V453 L462 Y463	A409-V455 HydrophobicContact CB-CB 4.34Å; A409-V455 HydrophobicContact CB-CG1 3.61Å; V418-V455 HydrophobicContact CB-CG2 3.91Å; V418-V455 HydrophobicContact CG1-CG2 4.26Å; V418-V455 HydrophobicContact CG2-CG1 4.33Å; V418-V455 HydrophobicContact CG2-CG2 4.05Å; V453-V455 HydrophobicContact CG1-CG2 4.39Å; V455-L462 HydrophobicContact CG1-CD1 3.26Å; V455-L462 HydrophobicContact CG1-CG 3.89Å; V455-Y463 VanDerWaalsContact CA-O 3.24Å; V455-Y463 WeakPolarHBondContact CA-O 3.48Å
456	A	97.6	Very high	96.9	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.3	176.7	0	0	0	0	0	111.1	Y463 V504 I509	A456-Y463 PolarHBondContact N-O 3.44Å; A456-Y463 VanDerWaalsContact N-O 3.12Å; A456-Y463 PolarHBondContact O-N 3.1Å; A456-V504 HydrophobicContact CB-CG2 4.11Å; A456-I509 HydrophobicContact CB-CD1 4.37Å; A456-I509 HydrophobicContact CB-CG1 4.34Å; A456-I509 HydrophobicContact CB-CG2 3.96Å
457	V	97.7	Very high	96.9	Very high	44 Å²	44	27 Å²	27	27%	0.267	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.4	179.2	174.6	0	0	0	0	109.5	A409 V410 L411 F461 L462 V504	A409-V457 HydrophobicContact CB-CG2 3.84Å; V410-V457 WeakPolarHBondContact O-CG2 3.45Å; L411-V457 HydrophobicContact CB-CG1 4.22Å; L411-V457 HydrophobicContact CB-CG2 4.16Å; L411-V457 HydrophobicContact CD1-CG1 3.74Å; L411-V457 HydrophobicContact CG-CG1 4.49Å; V457-F461 VanDerWaalsContact CA-O 3.32Å; V457-F461 WeakPolarHBondContact CA-O 3.43Å; V457-L462 HydrophobicContact CG2-CD1 3.47Å; V457-L462 VanDerWaalsContact CG2-CD1 3.47Å; V457-V504 WeakPolarHBondContact O-CG2 3.33Å
458	L	94.2	Very high	96.8	Very high	19 Å²	19	23.1 Å²	23.1	10%	0.099	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	131.8	-177.5	-180	60	0	0	0	110.6	G460 F461 Y463 V504 D507 I509 P529	L458-G460 VanDerWaalsContact C-N 3.27Å; L458-G460 PolarHBondContact O-N 3.38Å; L458-F461 PolarHBondContact N-O 3.38Å; L458-F461 PolarHBondContact O-N 3.49Å; L458-F461 VanDerWaalsContact O-N 3.16Å; L458-Y463 HydrophobicContact CB-CD2 4.49Å; L458-Y463 HydrophobicContact CB-CE2 4.01Å; L458-Y463 WeakPolarHBondContact O-CE2 3.5Å; L458-V504 HydrophobicContact CB-CG2 4.06Å; L458-V504 HydrophobicContact CD1-CG1 3.87Å; L458-D507 WeakPolarHBondContact CD2-O 3.33Å; L458-I509 HydrophobicContact CB-CD1 4.32Å; L458-I509 HydrophobicContact CB-CG1 4.26Å; L458-I509 HydrophobicContact CD2-CD1 4.26Å; L458-I509 HydrophobicContact CD2-CG1 3.74Å; L458-P529 HydrophobicContact CD2-CG 3.72Å; L458-P529 HydrophobicContact CG-CG 4.41Å
459	G	89.9	Confident	96.8	Very high	65 Å²	65	23.6 Å²	23.6	67%	0.67	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	32.6	177	0	0	0	0	0	114.1	F461	G459-F461 VanDerWaalsContact C-N 3.29Å; G459-F461 WeakPolarHBondContact O-CD2 3.2Å; G459-F461 VanDerWaalsContact O-CE2 3.3Å; G459-F461 WeakPolarHBondContact O-CE2 3.28Å; G459-F461 PolarHBondContact O-N 3.17Å
460	G	93.4	Very high	96.6	Very high	44 Å²	44	19.4 Å²	19.4	45%	0.454	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	7.5	-178.7	0	0	0	0	0	115.1	L411 L458	L411-G460 WeakPolarHBondContact CD1-O 3.48Å; L458-G460 VanDerWaalsContact C-N 3.27Å; L458-G460 PolarHBondContact O-N 3.38Å
461	F	97.9	Very high	96.3	Very high	49 Å²	49	25.6 Å²	25.6	22%	0.215	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	151.3	177.4	-58.3	-83.4	0	0	0	111.7	V457 L458 G459 Y463 R479 N481	V457-F461 VanDerWaalsContact CA-O 3.32Å; V457-F461 WeakPolarHBondContact CA-O 3.43Å; L458-F461 PolarHBondContact N-O 3.38Å; L458-F461 PolarHBondContact O-N 3.49Å; L458-F461 VanDerWaalsContact O-N 3.16Å; G459-F461 VanDerWaalsContact C-N 3.29Å; G459-F461 WeakPolarHBondContact O-CD2 3.2Å; G459-F461 VanDerWaalsContact O-CE2 3.3Å; G459-F461 WeakPolarHBondContact O-CE2 3.28Å; G459-F461 PolarHBondContact O-N 3.17Å; F461-Y463 HydrophobicContact CB-CD2 4.39Å; F461-Y463 HydrophobicContact CB-CE2 3.75Å; F461-R479 HydrophobicContact CB-CG 3.49Å; F461-R479 VanDerWaalsContact CB-CG 3.49Å; F461-R479 HydrophobicContact CD1-CG 4Å; F461-R479 HydrophobicContact CG-CG 3.86Å; F461-N481 HydrophobicContact CD1-CB 4.03Å; F461-N481 HydrophobicContact CE1-CB 3.82Å
462	L	98.6	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.7	173.1	-179.1	77.6	0	0	0	109	A409 L411 Y416 V418 V455 V457 R479 Y480 W487	A409-L462 HydrophobicContact CB-CD1 3.81Å; L411-L462 HydrophobicContact CD2-CB 3.9Å; Y416-L462 HydrophobicContact CD1-CD2 4Å; Y416-L462 HydrophobicContact CG-CD2 3.89Å; V418-L462 HydrophobicContact CG2-CD2 3.86Å; V455-L462 HydrophobicContact CG1-CD1 3.26Å; V455-L462 HydrophobicContact CG1-CG 3.89Å; V457-L462 HydrophobicContact CG2-CD1 3.47Å; V457-L462 VanDerWaalsContact CG2-CD1 3.47Å; L462-R479 CarbonylContact O-C 3.53Å; L462-R479 WeakPolarHBondContact O-CA 3.23Å; L462-Y480 HydrophobicContact CB-CD1 4.33Å; L462-Y480 HydrophobicContact CD2-CD1 4.47Å; L462-Y480 PolarHBondContact N-O 2.92Å; L462-Y480 PolarHBondContact O-N 2.83Å; L462-W487 HydrophobicContact CD2-CH2 3.97Å; L462-W487 HydrophobicContact CD2-CZ2 4.31Å; L462-W487 HydrophobicContact CG-CH2 4.34Å
463	Y	98.8	Very high	96.4	Very high	4 Å²	4	26 Å²	26	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.7	-178.8	-67.3	-101.6	0	0	0	110	V455 A456 L458 F461 V477 E478 R479 I509 Y527	V455-Y463 VanDerWaalsContact CA-O 3.24Å; V455-Y463 WeakPolarHBondContact CA-O 3.48Å; A456-Y463 PolarHBondContact N-O 3.44Å; A456-Y463 VanDerWaalsContact N-O 3.12Å; A456-Y463 PolarHBondContact O-N 3.1Å; L458-Y463 HydrophobicContact CB-CD2 4.49Å; L458-Y463 HydrophobicContact CB-CE2 4.01Å; L458-Y463 WeakPolarHBondContact O-CE2 3.5Å; F461-Y463 HydrophobicContact CB-CD2 4.39Å; F461-Y463 HydrophobicContact CB-CE2 3.75Å; Y463-V477 HydrophobicContact CD1-CG1 4.42Å; Y463-E478 CarbonylContact C-O 3.56Å; Y463-E478 WeakPolarHBondContact CA-O 3.43Å; Y463-R479 HydrophobicContact CD1-CB 3.95Å; Y463-R479 HydrophobicContact CD1-CG 4.01Å; Y463-R479 HydrophobicContact CD2-CG 4.44Å; Y463-R479 HydrophobicContact CE1-CB 3.84Å; Y463-R479 HydrophobicContact CE1-CG 3.62Å; Y463-R479 HydrophobicContact CE2-CG 4.09Å; Y463-R479 HydrophobicContact CG-CG 4.4Å; Y463-R479 VanDerWaalsContact CZ-CD 3.47Å; Y463-R479 VanDerWaalsContact OH-CD 3.3Å; Y463-R479 WeakPolarHBondContact OH-CD 3.16Å; Y463-I509 HydrophobicContact CD1-CD1 3.72Å; Y463-I509 HydrophobicContact CD2-CD1 3.47Å; Y463-I509 VanDerWaalsContact CD2-CD1 3.47Å; Y463-I509 HydrophobicContact CE1-CD1 4.08Å; Y463-I509 HydrophobicContact CE2-CD1 3.85Å; Y463-I509 HydrophobicContact CG-CD1 3.4Å; Y463-Y527 AromaticContact CE1-CE1 3.8Å; Y463-Y527 HydrophobicContact CE1-CE1 3.8Å
464	A	98.6	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.2	170.1	0	0	0	0	0	108.7	V418 M446 V453 V477 E478 W487	V418-A464 HydrophobicContact CG1-CB 4.22Å; M446-A464 HydrophobicContact SD-CB 3.57Å; M446-A464 VanDerWaalsContact SD-CB 3.57Å; V453-A464 HydrophobicContact CG2-CB 3.99Å; A464-V477 WeakPolarHBondContact O-CA 2.89Å; A464-E478 PolarHBondContact N-O 3.39Å; A464-E478 PolarHBondContact O-N 3.06Å; A464-W487 HydrophobicContact CB-CH2 4.04Å; A464-W487 HydrophobicContact CB-CZ3 3.71Å
465	V	98.6	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.3	-168.6	-167.4	0	0	0	0	109.9	A454 V477 M493 L500 I509 S511 W534	A454-V465 PolarHBondContact N-O 3.24Å; A454-V465 PolarHBondContact O-N 3.04Å; V465-V477 HydrophobicContact CG1-CG2 4.1Å; V465-V477 HydrophobicContact CG2-CG1 4.12Å; V465-M493 HydrophobicContact CG1-CE 3.93Å; V465-M493 HydrophobicContact CG1-CG 4.34Å; V465-M493 HydrophobicContact CG1-SD 3.59Å; V465-M493 VanDerWaalsContact CG1-SD 3.59Å; V465-L500 HydrophobicContact CG1-CD1 4.3Å; V465-I509 HydrophobicContact CG2-CG2 4.48Å; V465-S511 WeakPolarHBondContact CG1-OG 3.43Å; V465-W534 HydrophobicContact CG1-CH2 3.87Å; V465-W534 HydrophobicContact CG1-CZ2 4.04Å
466	G	98.1	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	20%	0.199	C	C	.	.			trans	62.3	-137.1	176	0	0	0	0	0	113.7	R450 L474 T476	R450-G466 PolarHBondContact NH1-O 3Å; G466-L474 WeakPolarHBondContact CA-O 3.46Å; G466-T476 PolarHBondContact N-O 2.93Å
467	G	97.8	Very high	96.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	20%	0.197	C	C	.	.			trans	93.8	-162.5	-172.5	0	0	0	0	0	112.2	L451 P473 L474 R497	L451-G467 CarbonylContact O-C 3.46Å; L451-G467 WeakPolarHBondContact O-CA 3.48Å; G467-P473 CarbonylContact O-C 3.59Å; G467-P473 WeakPolarHBondContact O-CA 3.45Å; G467-L474 PolarHBondContact O-N 3.01Å; G467-R497 PolarHBondContact N-O 3.33Å
468	S	96.8	Very high	96.5	Very high	6 Å²	6	26 Å²	26	4%	0.042	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-131.7	140	175.2	171.8	0	0	0	0	110.1	C426 R450 L451 G470 S472	C426-S468 PolarHBondContact SG-O 3.3Å; R450-S468 CarbonylContact C-O 3.51Å; R450-S468 WeakPolarHBondContact CA-O 3.5Å; L451-S468 PolarHBondContact N-O 3.17Å; L451-S468 PolarHBondContact O-N 3.11Å; S468-G470 PolarHBondContact O-N 3.03Å; S468-G470 PolarHBondContact OG-N 2.61Å; S468-S472 WeakPolarHBondContact CA-O 3.47Å; S468-S472 PolarHBondContact OG-O 2.91Å
469	D	95.8	Very high	96.7	Very high	54 Å²	54	28.3 Å²	28.3	29%	0.289	19%	0.192	S	C	.	.			trans	-78.2	1.7	174.4	61.8	7.8	0	0	0	113.6	C426 R449 T471 S472 L474	C426-D469 WeakPolarHBondContact CB-O 3.48Å; R449-D469 WeakPolarHBondContact O-CA 3.17Å; D469-T471 WeakPolarHBondContact OD1-CA 3.29Å; D469-T471 WeakPolarHBondContact OD1-CB 3.19Å; D469-T471 PolarHBondContact OD1-N 3.09Å; D469-S472 PolarHBondContact N-O 2.67Å; D469-S472 PolarHBondContact OD1-N 2.78Å; D469-L474 HydrophobicContact CB-CD1 4.31Å; D469-L474 HydrophobicContact CB-CD2 4.24Å
470	G	92.6	Very high	97.2	Very high	52 Å²	52	25.4 Å²	25.4	54%	0.536	16%	0.16	S	C	.	.	S	Bend	trans	103	-18.1	-172.4	0	0	0	0	0	112.8	S468	S468-G470 PolarHBondContact O-N 3.03Å; S468-G470 PolarHBondContact OG-N 2.61Å
471	T	91.8	Very high	97.4	Very high	131 Å²	131	24.3 Å²	24.3	80%	0.804	14%	0.144	S	C	*	.	S	Bend	trans	-113.1	-51.9	179	-50.5	0	0	0	0	111.1	D469	D469-T471 WeakPolarHBondContact OD1-CA 3.29Å; D469-T471 WeakPolarHBondContact OD1-CB 3.19Å; D469-T471 PolarHBondContact OD1-N 3.09Å
472	S	94.6	Very high	97.3	Very high	31 Å²	31	23.8 Å²	23.8	22%	0.217	15%	0.146	C	C	.	.	S	Bend	trans	-133.9	147.9	-172.8	66.8	0	0	0	0	112.4	S468 D469	S468-S472 WeakPolarHBondContact CA-O 3.47Å; S468-S472 PolarHBondContact OG-O 2.91Å; D469-S472 PolarHBondContact N-O 2.67Å; D469-S472 PolarHBondContact OD1-N 2.78Å
473	P	97.6	Very high	97.2	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.019	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-59.1	143.6	165.8	-18.6	32.8	0	0	0	112.1	G467 R496 K498 D517	G467-P473 CarbonylContact O-C 3.59Å; G467-P473 WeakPolarHBondContact O-CA 3.45Å; P473-R496 HydrophobicContact CB-CB 4.09Å; P473-R496 WeakPolarHBondContact O-CD 3.32Å; P473-R496 PolarHBondContact O-NH1 2.81Å; P473-R496 VanDerWaalsContact O-NH1 3.11Å; P473-K498 HydrophobicContact CB-CB 4.31Å; P473-K498 HydrophobicContact CB-CG 4.31Å; P473-K498 HydrophobicContact CG-CD 4.03Å; P473-K498 HydrophobicContact CG-CG 4.19Å; P473-D517 WeakPolarHBondContact CD-OD1 3.15Å
474	L	98.3	Very high	97.1	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.058	21%	0.208	C	C	.	.			trans	-106.2	144.2	-175.4	-59.6	173.5	0	0	0	110.2	T448 R450 G466 G467 D469 R497	T448-L474 HydrophobicContact CG2-CD1 3.76Å; R450-L474 HydrophobicContact CG-CD1 4.01Å; G466-L474 WeakPolarHBondContact CA-O 3.46Å; G467-L474 PolarHBondContact O-N 3.01Å; D469-L474 HydrophobicContact CB-CD1 4.31Å; D469-L474 HydrophobicContact CB-CD2 4.24Å; L474-R497 PolarHBondContact O-N 3.27Å
475	N	98.3	Very high	97.1	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.171	23%	0.228	C	C	.	.			trans	-105.2	-3.3	163.2	68.7	-26.7	0	0	0	112.2	P492 M493 T495 R496	N475-P492 CarbonylContact O-C 3.55Å; N475-P492 VanDerWaalsContact O-CA 3.28Å; N475-P492 WeakPolarHBondContact O-CA 3.4Å; N475-P492 WeakPolarHBondContact O-CB 3.44Å; N475-M493 HydrophobicContact CB-CB 4.19Å; N475-M493 WeakPolarHBondContact CB-O 3.29Å; N475-M493 PolarHBondContact ND2-O 3.08Å; N475-M493 PolarHBondContact O-N 2.78Å; N475-T495 WeakPolarHBondContact CB-O 3.48Å; N475-R496 HydrophobicContact CB-CB 4.48Å; N475-R496 HydrophobicContact CB-CG 3.93Å
476	T	98.4	Very high	97.1	Very high	44 Å²	44	48.4 Å²	48.4	27%	0.27	26%	0.256	S	S	.	.			trans	-71.2	150.2	-178.1	60.5	0	0	0	0	111.4	R450 G466	R450-T476 PolarHBondContact NH1-O 3.31Å; R450-T476 PolarHBondContact NH1-OG1 2.99Å; R450-T476 VanDerWaalsContact NH1-OG1 3.16Å; R450-T476 PolarHBondContact NH2-OG1 3.45Å; G466-T476 PolarHBondContact N-O 2.93Å
477	V	98.6	Very high	97.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.7	-177.8	-171.8	0	0	0	0	109	Y463 A464 V465 V490 M493 W534	Y463-V477 HydrophobicContact CD1-CG1 4.42Å; A464-V477 WeakPolarHBondContact O-CA 2.89Å; V465-V477 HydrophobicContact CG1-CG2 4.1Å; V465-V477 HydrophobicContact CG2-CG1 4.12Å; V477-V490 HydrophobicContact CB-CG2 3.65Å; V477-V490 HydrophobicContact CG1-CG2 3.48Å; V477-V490 VanDerWaalsContact CG1-CG2 3.48Å; V477-V490 PolarHBondContact O-N 2.92Å; V477-M493 HydrophobicContact CG2-CG 4.27Å; V477-W534 HydrophobicContact CG2-CZ2 3.79Å
478	E	98.6	Very high	97.1	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.3	176.8	-66.6	175.4	-102.7	0	0	110	S447 T448 R450 Y463 A464 W487 H488	S447-E478 WeakPolarHBondContact CB-OE2 3.47Å; S447-E478 PolarHBondContact N-OE2 3.11Å; S447-E478 PolarHBondContact OG-OE2 3.1Å; T448-E478 PolarHBondContact N-OE1 3.47Å; R450-E478 IonicContact CZ-OE1 3.19Å; R450-E478 IonicContact NE-OE1 3.06Å; R450-E478 PolarHBondContact NE-OE1 3.32Å; R450-E478 IonicContact NH2-OE1 2.76Å; R450-E478 PolarHBondContact NH2-OE1 3.43Å; Y463-E478 CarbonylContact C-O 3.56Å; Y463-E478 WeakPolarHBondContact CA-O 3.43Å; A464-E478 PolarHBondContact N-O 3.39Å; A464-E478 PolarHBondContact O-N 3.06Å; E478-W487 HydrophobicContact CB-CE3 3.68Å; E478-W487 HydrophobicContact CB-CZ3 4.25Å; E478-H488 CarbonylContact C-O 3.6Å; E478-H488 WeakPolarHBondContact CA-O 3.43Å
479	R	98.4	Very high	97.2	Very high	67 Å²	67	56.6 Å²	56.6	25%	0.253	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123	-179.4	-176.4	-169.9	72.2	176.8	-0.7	110	F461 L462 Y463 W487 H488 V490	F461-R479 HydrophobicContact CB-CG 3.49Å; F461-R479 VanDerWaalsContact CB-CG 3.49Å; F461-R479 HydrophobicContact CD1-CG 4Å; F461-R479 HydrophobicContact CG-CG 3.86Å; L462-R479 CarbonylContact O-C 3.53Å; L462-R479 WeakPolarHBondContact O-CA 3.23Å; Y463-R479 HydrophobicContact CD1-CB 3.95Å; Y463-R479 HydrophobicContact CD1-CG 4.01Å; Y463-R479 HydrophobicContact CD2-CG 4.44Å; Y463-R479 HydrophobicContact CE1-CB 3.84Å; Y463-R479 HydrophobicContact CE1-CG 3.62Å; Y463-R479 HydrophobicContact CE2-CG 4.09Å; Y463-R479 HydrophobicContact CG-CG 4.4Å; Y463-R479 VanDerWaalsContact CZ-CD 3.47Å; Y463-R479 VanDerWaalsContact OH-CD 3.3Å; Y463-R479 WeakPolarHBondContact OH-CD 3.16Å; R479-W487 CarbonylContact O-C 3.59Å; R479-W487 WeakPolarHBondContact O-CA 3.38Å; R479-H488 PolarHBondContact N-O 3.34Å; R479-H488 PolarHBondContact O-N 3.27Å; R479-V490 HydrophobicContact CB-CG1 3.87Å
480	Y	98.8	Very high	97.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.4	176.7	177.5	-109.3	0	0	0	111.7	Y416 A444 L462 P482 N485 R486 W487	Y416-Y480 HydrophobicContact CE1-CD1 4.41Å; Y416-Y480 AromaticContact CE1-CE1 3.79Å; Y416-Y480 HydrophobicContact CE1-CE1 3.79Å; A444-Y480 HydrophobicContact CB-CE2 4.31Å; L462-Y480 HydrophobicContact CB-CD1 4.33Å; L462-Y480 HydrophobicContact CD2-CD1 4.47Å; L462-Y480 PolarHBondContact N-O 2.92Å; L462-Y480 PolarHBondContact O-N 2.83Å; Y480-P482 HydrophobicContact CD1-CB 4.49Å; Y480-P482 HydrophobicContact CE1-CB 3.88Å; Y480-N485 PolarHBondContact OH-OD1 3.01Å; Y480-R486 WeakPolarHBondContact CA-O 3.43Å; Y480-W487 AromaticContact CD2-CD1 3.8Å; Y480-W487 HydrophobicContact CD2-CD2 4.08Å; Y480-W487 AromaticContact CD2-CE2 3.69Å; Y480-W487 HydrophobicContact CD2-CG 4.14Å; Y480-W487 HydrophobicContact CD2-CZ2 4.19Å; Y480-W487 AromaticContact CD2-NE1 3.5Å; Y480-W487 HydrophobicContact CG-CD2 4.29Å; Y480-W487 AromaticContact CG-CE2 3.92Å; Y480-W487 HydrophobicContact CG-CH2 4.47Å; Y480-W487 HydrophobicContact CG-CZ2 4Å
481	N	97.8	Very high	97.6	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.112	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.6	168.4	-174.8	-12.9	0	0	0	109.4	F461 Q483 E484 N485 R486	F461-N481 HydrophobicContact CD1-CB 4.03Å; F461-N481 HydrophobicContact CE1-CB 3.82Å; N481-Q483 VanDerWaalsContact C-N 3.25Å; N481-Q483 PolarHBondContact O-N 3.31Å; N481-Q483 WeakPolarHBondContact OD1-CB 3.47Å; N481-Q483 PolarHBondContact OD1-N 3.4Å; N481-E484 HydrophobicContact CB-CB 4.19Å; N481-E484 HydrophobicContact CB-CG 4.42Å; N481-E484 PolarHBondContact ND2-OE1 2.83Å; N481-E484 PolarHBondContact O-N 3.13Å; N481-N485 WeakPolarHBondContact O-CA 3.44Å; N481-N485 PolarHBondContact O-N 2.77Å; N481-R486 PolarHBondContact N-O 2.92Å; N481-R486 PolarHBondContact O-N 2.67Å
482	P	96.3	Very high	97.9	Very high	38 Å²	38	51 Å²	51	25%	0.247	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.6	179.4	28.5	-36.4	0	0	0	113.6	L411 Y480	L411-P482 HydrophobicContact CD2-CB 4.38Å; L411-P482 HydrophobicContact CD2-CG 3.92Å; Y480-P482 HydrophobicContact CD1-CB 4.49Å; Y480-P482 HydrophobicContact CE1-CB 3.88Å
483	Q	96	Very high	98.1	Very high	176 Å²	176	49.7 Å²	49.7	82%	0.822	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-34.3	178.7	-58.8	-58.6	-36.4	0	0	112	N481	N481-Q483 VanDerWaalsContact C-N 3.25Å; N481-Q483 PolarHBondContact O-N 3.31Å; N481-Q483 WeakPolarHBondContact OD1-CB 3.47Å; N481-Q483 PolarHBondContact OD1-N 3.4Å
484	E	97.4	Very high	98.1	Very high	107 Å²	107	52.7 Å²	52.7	50%	0.5	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-11.9	178	-67.5	168.2	-150.8	0	0	112.7	N481 R486 H488	N481-E484 HydrophobicContact CB-CB 4.19Å; N481-E484 HydrophobicContact CB-CG 4.42Å; N481-E484 PolarHBondContact ND2-OE1 2.83Å; N481-E484 PolarHBondContact O-N 3.13Å; E484-R486 VanDerWaalsContact C-N 3.25Å; E484-R486 HydrophobicContact CB-CB 3.98Å; E484-R486 PolarHBondContact O-N 3.29Å; E484-H488 IonicContact OE2-CD2 3.53Å; E484-H488 IonicContact OE2-CE1 3.21Å; E484-H488 IonicContact OE2-NE2 3.76Å; E484-H488 PolarHBondContact OE2-NE2 2.8Å
485	N	97.9	Very high	98	Very high	80 Å²	80	54.1 Å²	54.1	43%	0.428	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	52.3	-166.4	-175.1	28.9	0	0	0	110.8	A444 Y480 N481	A444-N485 WeakPolarHBondContact CB-O 3.41Å; A444-N485 WeakPolarHBondContact CB-OD1 3.43Å; A444-N485 PolarHBondContact N-OD1 3.35Å; Y480-N485 PolarHBondContact OH-OD1 3.01Å; N481-N485 WeakPolarHBondContact O-CA 3.44Å; N481-N485 PolarHBondContact O-N 2.77Å
486	R	98.5	Very high	98	Very high	157 Å²	157	57.4 Å²	57.4	59%	0.592	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.3	-173.7	-171.4	172.7	178.5	173	1.5	112.7	Y480 N481 E484	Y480-R486 WeakPolarHBondContact CA-O 3.43Å; N481-R486 PolarHBondContact N-O 2.92Å; N481-R486 PolarHBondContact O-N 2.67Å; E484-R486 VanDerWaalsContact C-N 3.25Å; E484-R486 HydrophobicContact CB-CB 3.98Å; E484-R486 PolarHBondContact O-N 3.29Å
487	W	98.7	Very high	98	Very high	15 Å²	15	55.3 Å²	55.3	6%	0.057	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	142.2	171.6	-67.6	88.8	0	0	0	111.4	V418 V430 A444 M446 L462 A464 E478 R479 Y480	V418-W487 HydrophobicContact CG1-CH2 4.21Å; V418-W487 HydrophobicContact CG1-CZ2 4.49Å; V430-W487 HydrophobicContact CG1-CZ2 4.3Å; V430-W487 HydrophobicContact CG2-CZ2 3.76Å; A444-W487 PolarHBondContact O-NE1 2.82Å; M446-W487 HydrophobicContact CG-CD2 3.82Å; M446-W487 HydrophobicContact CG-CE3 4.12Å; M446-W487 HydrophobicContact CG-CG 4.4Å; M446-W487 HydrophobicContact CG-CH2 4.1Å; M446-W487 HydrophobicContact CG-CZ2 3.81Å; M446-W487 HydrophobicContact CG-CZ3 4.25Å; M446-W487 HydrophobicContact SD-CH2 4.34Å; L462-W487 HydrophobicContact CD2-CH2 3.97Å; L462-W487 HydrophobicContact CD2-CZ2 4.31Å; L462-W487 HydrophobicContact CG-CH2 4.34Å; A464-W487 HydrophobicContact CB-CH2 4.04Å; A464-W487 HydrophobicContact CB-CZ3 3.71Å; E478-W487 HydrophobicContact CB-CE3 3.68Å; E478-W487 HydrophobicContact CB-CZ3 4.25Å; R479-W487 CarbonylContact O-C 3.59Å; R479-W487 WeakPolarHBondContact O-CA 3.38Å; Y480-W487 AromaticContact CD2-CD1 3.8Å; Y480-W487 HydrophobicContact CD2-CD2 4.08Å; Y480-W487 AromaticContact CD2-CE2 3.69Å; Y480-W487 HydrophobicContact CD2-CG 4.14Å; Y480-W487 HydrophobicContact CD2-CZ2 4.19Å; Y480-W487 AromaticContact CD2-NE1 3.5Å; Y480-W487 HydrophobicContact CG-CD2 4.29Å; Y480-W487 AromaticContact CG-CE2 3.92Å; Y480-W487 HydrophobicContact CG-CH2 4.47Å; Y480-W487 HydrophobicContact CG-CZ2 4Å
488	H	98.4	Very high	97.8	Very high	57 Å²	57	57.4 Å²	57.4	26%	0.264	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.7	176.8	-63.4	-86.2	0	0	0	109.4	E478 R479 E484	E478-H488 CarbonylContact C-O 3.6Å; E478-H488 WeakPolarHBondContact CA-O 3.43Å; R479-H488 PolarHBondContact N-O 3.34Å; R479-H488 PolarHBondContact O-N 3.27Å; E484-H488 IonicContact OE2-CD2 3.53Å; E484-H488 IonicContact OE2-CE1 3.21Å; E484-H488 IonicContact OE2-NE2 3.76Å; E484-H488 PolarHBondContact OE2-NE2 2.8Å
489	T	98.3	Very high	97.7	Very high	106 Å²	106	60.4 Å²	60.4	65%	0.65	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	135.1	172.7	-53.8	0	0	0	0	110
490	V	98.3	Very high	97.6	Very high	16 Å²	16	57.8 Å²	57.8	10%	0.097	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	178.2	173.5	-58.8	0	0	0	0	109.7	V477 R479	V477-V490 HydrophobicContact CB-CG2 3.65Å; V477-V490 HydrophobicContact CG1-CG2 3.48Å; V477-V490 VanDerWaalsContact CG1-CG2 3.48Å; V477-V490 PolarHBondContact O-N 2.92Å; R479-V490 HydrophobicContact CB-CG1 3.87Å
491	S	98.3	Very high	97.5	Very high	34 Å²	34	57.8 Å²	57.8	24%	0.238	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-54.6	134	-176.2	-71.3	0	0	0	0	112	N532 W534	S491-N532 WeakPolarHBondContact CB-O 3.33Å; S491-N532 WeakPolarHBondContact CB-OD1 3.25Å; S491-N532 PolarHBondContact N-OD1 2.87Å; S491-N532 VanDerWaalsContact OG-CG 3.24Å; S491-N532 PolarHBondContact OG-ND2 2.96Å; S491-N532 VanDerWaalsContact OG-ND2 3.16Å; S491-N532 PolarHBondContact OG-O 3.12Å; S491-N532 PolarHBondContact OG-OD1 3.32Å; S491-W534 PolarHBondContact O-NE1 2.96Å
492	P	98.4	Very high	97.4	Very high	70 Å²	70	57.5 Å²	57.5	46%	0.455	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-74.8	155.8	179.2	32.5	-35.5	0	0	0	111.2	N475 W534	N475-P492 CarbonylContact O-C 3.55Å; N475-P492 VanDerWaalsContact O-CA 3.28Å; N475-P492 WeakPolarHBondContact O-CA 3.4Å; N475-P492 WeakPolarHBondContact O-CB 3.44Å; P492-W534 VanDerWaalsContact C-CD1 3.43Å
493	M	98.4	Very high	97.5	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-63.5	157	168.6	-63.7	-179.1	-66.4	0	0	110.8	V465 N475 V477 T495 R497 L500 W534	V465-M493 HydrophobicContact CG1-CE 3.93Å; V465-M493 HydrophobicContact CG1-CG 4.34Å; V465-M493 HydrophobicContact CG1-SD 3.59Å; V465-M493 VanDerWaalsContact CG1-SD 3.59Å; N475-M493 HydrophobicContact CB-CB 4.19Å; N475-M493 WeakPolarHBondContact CB-O 3.29Å; N475-M493 PolarHBondContact ND2-O 3.08Å; N475-M493 PolarHBondContact O-N 2.78Å; V477-M493 HydrophobicContact CG2-CG 4.27Å; M493-T495 VanDerWaalsContact C-N 3.33Å; M493-T495 WeakPolarHBondContact CB-O 3.46Å; M493-R497 HydrophobicContact CE-CB 4.17Å; M493-R497 HydrophobicContact CE-CG 4.29Å; M493-L500 HydrophobicContact CE-CD1 4.34Å; M493-L500 HydrophobicContact SD-CD1 4.21Å; M493-W534 HydrophobicContact CB-CD2 4.44Å; M493-W534 HydrophobicContact CG-CD2 3.78Å; M493-W534 HydrophobicContact CG-CE3 3.99Å; M493-W534 HydrophobicContact CG-CG 4.48Å; M493-W534 HydrophobicContact CG-CH2 3.85Å; M493-W534 HydrophobicContact CG-CZ2 3.62Å; M493-W534 HydrophobicContact CG-CZ3 4.02Å; M493-W534 HydrophobicContact SD-CH2 4.18Å; M493-W534 HydrophobicContact SD-CZ2 4.43Å; M493-W534 HydrophobicContact SD-CZ3 4.39Å
494	G	97.6	Very high	97.5	Very high	66 Å²	66	50 Å²	50	68%	0.68	27%	0.27	S	S	*	.	S	Bend	trans	-68.2	-35.1	171	0	0	0	0	0	112.1	E525	G494-E525 WeakPolarHBondContact CA-OE2 3.34Å; G494-E525 PolarHBondContact N-OE2 3.06Å
495	T	97.3	Very high	97.3	Very high	41 Å²	41	46 Å²	46	25%	0.252	25%	0.251	S	S	.	.	S	Bend	trans	-109.2	141.2	-179.3	-41.8	0	0	0	0	111.8	N475 M493 R497 L521 E525	N475-T495 WeakPolarHBondContact CB-O 3.48Å; M493-T495 VanDerWaalsContact C-N 3.33Å; M493-T495 WeakPolarHBondContact CB-O 3.46Å; T495-R497 HydrophobicContact CG2-CG 4.42Å; T495-R497 PolarHBondContact OG1-NH2 3.21Å; T495-L521 HydrophobicContact CG2-CD1 3.9Å; T495-L521 HydrophobicContact CG2-CD2 4.45Å; T495-E525 VanDerWaalsContact CB-OE1 3.23Å; T495-E525 WeakPolarHBondContact CB-OE1 3.45Å; T495-E525 PolarHBondContact N-OE1 3.09Å; T495-E525 VanDerWaalsContact N-OE1 3.14Å; T495-E525 PolarHBondContact OG1-OE1 3.05Å
496	R	97.9	Very high	96.8	Very high	102 Å²	102	46.9 Å²	46.9	39%	0.385	25%	0.252	S	S	.	.			trans	-76.2	131.5	170.4	-65.6	174.3	176.9	-85.9	-3.4	110	P473 N475 D516	P473-R496 HydrophobicContact CB-CB 4.09Å; P473-R496 WeakPolarHBondContact O-CD 3.32Å; P473-R496 PolarHBondContact O-NH1 2.81Å; P473-R496 VanDerWaalsContact O-NH1 3.11Å; N475-R496 HydrophobicContact CB-CB 4.48Å; N475-R496 HydrophobicContact CB-CG 3.93Å; R496-D516 WeakPolarHBondContact O-CB 3.49Å
497	R	97.4	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.25	C	C	.	.			trans	-143.4	125.4	-173.2	-54.9	176.5	-176.5	-90.9	-2.1	111.1	G467 L474 M493 T495 L500 G513 L521 S523 E525	G467-R497 PolarHBondContact N-O 3.33Å; L474-R497 PolarHBondContact O-N 3.27Å; M493-R497 HydrophobicContact CE-CB 4.17Å; M493-R497 HydrophobicContact CE-CG 4.29Å; T495-R497 HydrophobicContact CG2-CG 4.42Å; T495-R497 PolarHBondContact OG1-NH2 3.21Å; R497-L500 HydrophobicContact CB-CB 4.09Å; R497-L500 HydrophobicContact CB-CD1 4.03Å; R497-L500 HydrophobicContact CB-CD2 4.37Å; R497-L500 HydrophobicContact CB-CG 4.39Å; R497-G513 PolarHBondContact NH1-O 2.84Å; R497-L521 HydrophobicContact CG-CD1 3.79Å; R497-S523 PolarHBondContact NH1-O 3.17Å; R497-S523 PolarHBondContact NH1-OG 3.28Å; R497-S523 VanDerWaalsContact NH1-OG 3.11Å; R497-S523 PolarHBondContact NH2-OG 2.87Å; R497-E525 IonicContact CZ-OE1 3.73Å; R497-E525 IonicContact NE-OE1 3.71Å; R497-E525 PolarHBondContact NE-OE1 3.43Å; R497-E525 IonicContact NH2-OE1 3.37Å; R497-E525 PolarHBondContact NH2-OE1 3.45Å
498	K	95.9	Very high	96	Very high	45 Å²	45	44.9 Å²	44.9	20%	0.196	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-113.8	155.1	160.8	69.1	-178.2	174.3	-169.6	0	110.6	P473 L500 G514 R515	P473-K498 HydrophobicContact CB-CB 4.31Å; P473-K498 HydrophobicContact CB-CG 4.31Å; P473-K498 HydrophobicContact CG-CD 4.03Å; P473-K498 HydrophobicContact CG-CG 4.19Å; K498-L500 PolarHBondContact O-N 3.11Å; K498-G514 CarbonylContact O-C 3.52Å; K498-G514 WeakPolarHBondContact O-CA 3.42Å; K498-R515 HydrophobicContact CG-CB 4.33Å; K498-R515 PolarHBondContact N-O 3.3Å; K498-R515 PolarHBondContact O-N 2.85Å
499	H	95.3	Very high	96	Very high	64 Å²	64	42.2 Å²	42.2	30%	0.296	24%	0.241	S	C	.	.	S	Bend	trans	54.7	35.1	-177.3	-54.8	153.9	0	0	0	113	G452 G514 G546	G452-H499 PolarHBondContact O-N 3.2Å; G452-H499 VanDerWaalsContact O-N 3.1Å; H499-G514 WeakPolarHBondContact O-CA 3.5Å; H499-G546 WeakPolarHBondContact O-CA 3.41Å; H499-G546 PolarHBondContact O-N 2.8Å
500	L	96.8	Very high	96	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.063	21%	0.21	C	C	.	.			trans	-81.3	161.6	174.3	72.8	166.7	0	0	0	111.5	A454 V465 M493 R497 K498	A454-L500 HydrophobicContact CB-CD1 4.31Å; A454-L500 HydrophobicContact CB-CD2 3.61Å; A454-L500 HydrophobicContact CB-CG 3.62Å; V465-L500 HydrophobicContact CG1-CD1 4.3Å; M493-L500 HydrophobicContact CE-CD1 4.34Å; M493-L500 HydrophobicContact SD-CD1 4.21Å; R497-L500 HydrophobicContact CB-CB 4.09Å; R497-L500 HydrophobicContact CB-CD1 4.03Å; R497-L500 HydrophobicContact CB-CD2 4.37Å; R497-L500 HydrophobicContact CB-CG 4.39Å; K498-L500 PolarHBondContact O-N 3.11Å
501	G	96.4	Very high	96	Very high	3 Å²	3	36.4 Å²	36.4	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143.5	165.1	0	0	0	0	0	110.8	S511 V512 V547	G501-S511 WeakPolarHBondContact O-CA 3.29Å; G501-V512 PolarHBondContact N-O 2.78Å; G501-V512 PolarHBondContact O-N 2.99Å; G501-V547 WeakPolarHBondContact CA-O 3.49Å; G501-V547 VanDerWaalsContact N-CG1 3.33Å
502	C	96.8	Very high	96	Very high	16 Å²	16	34.8 Å²	34.8	11%	0.108	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.3	176.8	-170.3	0	0	0	0	111	A454 I509 Y510	A454-C502 HydrophobicContact CB-CB 3.36Å; C502-I509 WeakPolarHBondContact SG-CG2 3.39Å; C502-Y510 VanDerWaalsContact CA-O 3.25Å; C502-Y510 WeakPolarHBondContact CA-O 3.36Å
503	A	97.1	Very high	95.9	Very high	10 Å²	10	31.5 Å²	31.5	8%	0.083	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	154.6	179.4	0	0	0	0	0	110.3	Y510 L549 V551 L556	A503-Y510 PolarHBondContact N-O 2.81Å; A503-Y510 VanDerWaalsContact N-O 3.17Å; A503-Y510 PolarHBondContact O-N 2.96Å; A503-L549 HydrophobicContact CB-CB 4.46Å; A503-L549 HydrophobicContact CB-CD2 3.88Å; A503-L549 HydrophobicContact CB-CG 3.86Å; A503-V551 HydrophobicContact CB-CG2 4.47Å; A503-L556 HydrophobicContact CB-CD1 3.87Å
504	V	95.6	Very high	95.9	Very high	47 Å²	47	31.3 Å²	31.3	29%	0.285	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.1	171.6	176.1	0	0	0	0	108.9	A456 V457 L458 M508 I509 V551	A456-V504 HydrophobicContact CB-CG2 4.11Å; V457-V504 WeakPolarHBondContact O-CG2 3.33Å; L458-V504 HydrophobicContact CB-CG2 4.06Å; L458-V504 HydrophobicContact CD1-CG1 3.87Å; V504-M508 CarbonylContact C-O 3.55Å; V504-M508 WeakPolarHBondContact CA-O 3.31Å; V504-I509 HydrophobicContact CG2-CG1 4.32Å; V504-V551 VanDerWaalsContact O-CG2 3.25Å; V504-V551 WeakPolarHBondContact O-CG2 3.36Å
505	Y	93.4	Very high	95.8	Very high	23 Å²	23	32.6 Å²	32.6	9%	0.09	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.4	177.4	-177.3	-114.2	0	0	0	109.2	D507 M508 Y510 V551 G554 L556 Y574	Y505-D507 VanDerWaalsContact C-N 3.32Å; Y505-D507 PolarHBondContact O-N 2.86Å; Y505-M508 PolarHBondContact N-O 2.74Å; Y505-M508 PolarHBondContact O-N 2.82Å; Y505-Y510 HydrophobicContact CD1-CD2 4.47Å; Y505-Y510 HydrophobicContact CD1-CE1 4.44Å; Y505-Y510 AromaticContact CD1-CE2 3.87Å; Y505-Y510 HydrophobicContact CD1-CE2 3.87Å; Y505-Y510 AromaticContact CD1-CZ 3.85Å; Y505-Y510 HydrophobicContact CG-CE2 4.36Å; Y505-Y510 WeakPolarHBondContact O-CE2 3.3Å; Y505-V551 HydrophobicContact CD2-CG1 4.2Å; Y505-V551 HydrophobicContact CD2-CG2 3.85Å; Y505-V551 HydrophobicContact CG-CG2 4.38Å; Y505-G554 VanDerWaalsContact CE2-O 3.3Å; Y505-G554 WeakPolarHBondContact CE2-O 3.46Å; Y505-L556 HydrophobicContact CD1-CB 4.37Å; Y505-L556 HydrophobicContact CD1-CD2 4.43Å; Y505-L556 HydrophobicContact CD2-CB 4.19Å; Y505-L556 HydrophobicContact CE2-CB 4.48Å; Y505-L556 HydrophobicContact CG-CB 4.13Å; Y505-Y574 HydrophobicContact CE1-CD1 4.2Å; Y505-Y574 HydrophobicContact CE1-CE1 4.48Å
506	Q	88	Confident	95.7	Very high	98 Å²	98	32.3 Å²	32.3	46%	0.458	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	49.2	-178.6	-60.8	178.2	-13	0	0	113.1	M508	Q506-M508 HydrophobicContact CB-CE 4.44Å; Q506-M508 WeakPolarHBondContact O-CE 3.41Å; Q506-M508 PolarHBondContact O-N 3.28Å; Q506-M508 VanDerWaalsContact O-N 3.13Å
507	D	87.4	Confident	95.5	Very high	101 Å²	101	32.1 Å²	32.1	54%	0.54	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	22.3	-178.3	-60.6	-39.2	0	0	0	115.7	L458 Y505	L458-D507 WeakPolarHBondContact CD2-O 3.33Å; Y505-D507 VanDerWaalsContact C-N 3.32Å; Y505-D507 PolarHBondContact O-N 2.86Å
508	M	93.8	Very high	95.2	Very high	29 Å²	29	37.4 Å²	37.4	14%	0.143	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.3	177.3	-71.5	177.9	-88.2	0	0	110.4	V504 Y505 Q506 Y510 R526 Y527 N528	V504-M508 CarbonylContact C-O 3.55Å; V504-M508 WeakPolarHBondContact CA-O 3.31Å; Y505-M508 PolarHBondContact N-O 2.74Å; Y505-M508 PolarHBondContact O-N 2.82Å; Q506-M508 HydrophobicContact CB-CE 4.44Å; Q506-M508 WeakPolarHBondContact O-CE 3.41Å; Q506-M508 PolarHBondContact O-N 3.28Å; Q506-M508 VanDerWaalsContact O-N 3.13Å; M508-Y510 HydrophobicContact CB-CD2 4.36Å; M508-Y510 HydrophobicContact CB-CE2 3.93Å; M508-R526 HydrophobicContact SD-CG 4.38Å; M508-Y527 WeakPolarHBondContact CA-O 3.37Å; M508-Y527 WeakPolarHBondContact CB-O 3.25Å; M508-N528 HydrophobicContact CG-CB 4.49Å
509	I	98.3	Very high	95.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.4	176.5	-59.6	174.2	0	0	0	108.1	A456 L458 Y463 V465 C502 V504 R526 Y527 W534	A456-I509 HydrophobicContact CB-CD1 4.37Å; A456-I509 HydrophobicContact CB-CG1 4.34Å; A456-I509 HydrophobicContact CB-CG2 3.96Å; L458-I509 HydrophobicContact CB-CD1 4.32Å; L458-I509 HydrophobicContact CB-CG1 4.26Å; L458-I509 HydrophobicContact CD2-CD1 4.26Å; L458-I509 HydrophobicContact CD2-CG1 3.74Å; Y463-I509 HydrophobicContact CD1-CD1 3.72Å; Y463-I509 HydrophobicContact CD2-CD1 3.47Å; Y463-I509 VanDerWaalsContact CD2-CD1 3.47Å; Y463-I509 HydrophobicContact CE1-CD1 4.08Å; Y463-I509 HydrophobicContact CE2-CD1 3.85Å; Y463-I509 HydrophobicContact CG-CD1 3.4Å; V465-I509 HydrophobicContact CG2-CG2 4.48Å; C502-I509 WeakPolarHBondContact SG-CG2 3.39Å; V504-I509 HydrophobicContact CG2-CG1 4.32Å; I509-R526 CarbonylContact O-C 3.53Å; I509-R526 WeakPolarHBondContact O-CA 3.41Å; I509-Y527 HydrophobicContact CD1-CD1 4.08Å; I509-Y527 HydrophobicContact CG1-CD1 4.49Å; I509-Y527 PolarHBondContact N-O 2.86Å; I509-Y527 VanDerWaalsContact N-O 3.1Å; I509-Y527 PolarHBondContact O-N 3.34Å; I509-W534 HydrophobicContact CG2-CH2 4.43Å
510	Y	98.3	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.7	176	-78.3	-113	0	0	0	109.7	C502 A503 Y505 M508 R526 V537 L556 Y574	C502-Y510 VanDerWaalsContact CA-O 3.25Å; C502-Y510 WeakPolarHBondContact CA-O 3.36Å; A503-Y510 PolarHBondContact N-O 2.81Å; A503-Y510 VanDerWaalsContact N-O 3.17Å; A503-Y510 PolarHBondContact O-N 2.96Å; Y505-Y510 HydrophobicContact CD1-CD2 4.47Å; Y505-Y510 HydrophobicContact CD1-CE1 4.44Å; Y505-Y510 AromaticContact CD1-CE2 3.87Å; Y505-Y510 HydrophobicContact CD1-CE2 3.87Å; Y505-Y510 AromaticContact CD1-CZ 3.85Å; Y505-Y510 HydrophobicContact CG-CE2 4.36Å; Y505-Y510 WeakPolarHBondContact O-CE2 3.3Å; M508-Y510 HydrophobicContact CB-CD2 4.36Å; M508-Y510 HydrophobicContact CB-CE2 3.93Å; Y510-R526 HydrophobicContact CD1-CB 4.15Å; Y510-R526 HydrophobicContact CD2-CB 4.05Å; Y510-R526 HydrophobicContact CE1-CB 4.09Å; Y510-R526 HydrophobicContact CE2-CB 3.95Å; Y510-R526 HydrophobicContact CG-CB 4.14Å; Y510-R526 WeakPolarHBondContact OH-CD 3.15Å; Y510-R526 PolarHBondContact OH-NH1 3.33Å; Y510-V537 HydrophobicContact CD1-CG2 4.21Å; Y510-V537 HydrophobicContact CE1-CG1 4.25Å; Y510-V537 HydrophobicContact CE1-CG2 3.85Å; Y510-L556 HydrophobicContact CD1-CD2 3.65Å; Y510-L556 HydrophobicContact CE1-CD2 4.23Å; Y510-L556 HydrophobicContact CG-CD2 3.89Å; Y510-Y574 HydrophobicContact CE1-CD1 4.44Å; Y510-Y574 HydrophobicContact CE1-CE1 4.1Å
511	S	97.9	Very high	95.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.6	175.9	-73	0	0	0	0	109	V465 G501 A524 E525 W534	V465-S511 WeakPolarHBondContact CG1-OG 3.43Å; G501-S511 WeakPolarHBondContact O-CA 3.29Å; S511-A524 CarbonylContact O-C 3.52Å; S511-A524 WeakPolarHBondContact O-CA 3.42Å; S511-E525 PolarHBondContact N-O 3.35Å; S511-E525 PolarHBondContact O-N 3.31Å; S511-W534 WeakPolarHBondContact OG-CH2 3.44Å
512	V	97.9	Very high	95.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.3	-165.9	-177.1	0	0	0	0	110.1	G501 A524 M540 V547 L549 W581	G501-V512 PolarHBondContact N-O 2.78Å; G501-V512 PolarHBondContact O-N 2.99Å; V512-A524 HydrophobicContact CB-CB 4.44Å; V512-A524 HydrophobicContact CG1-CB 4.33Å; V512-A524 HydrophobicContact CG2-CB 3.93Å; V512-M540 HydrophobicContact CG1-CE 3.43Å; V512-M540 VanDerWaalsContact CG1-CE 3.43Å; V512-M540 HydrophobicContact CG1-CG 4.03Å; V512-M540 HydrophobicContact CG1-SD 3.32Å; V512-M540 WeakPolarHBondContact CG1-SD 3.46Å; V512-V547 WeakPolarHBondContact O-CG1 3.41Å; V512-L549 HydrophobicContact CB-CD1 4.15Å; V512-L549 HydrophobicContact CB-CD2 3.95Å; V512-L549 HydrophobicContact CG2-CD1 3.99Å; V512-L549 HydrophobicContact CG2-CD2 3.58Å; V512-L549 HydrophobicContact CG2-CG 4.48Å; V512-W581 HydrophobicContact CG1-CH2 4.23Å; V512-W581 HydrophobicContact CG1-CZ2 4.15Å; V512-W581 HydrophobicContact CG2-CH2 4.26Å; V512-W581 HydrophobicContact CG2-CZ2 4.18Å
513	G	97.4	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.			trans	65.3	-141	176.6	0	0	0	0	0	113.4	R497 L521 S523	R497-G513 PolarHBondContact NH1-O 2.84Å; G513-L521 WeakPolarHBondContact CA-O 3.42Å; G513-S523 PolarHBondContact N-O 3.02Å; G513-S523 VanDerWaalsContact N-O 3.08Å
514	G	96.8	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.			trans	90.5	-162.2	-171.8	0	0	0	0	0	112.9	K498 H499 L521 R544	K498-G514 CarbonylContact O-C 3.52Å; K498-G514 WeakPolarHBondContact O-CA 3.42Å; H499-G514 WeakPolarHBondContact O-CA 3.5Å; G514-L521 PolarHBondContact O-N 3.15Å; G514-R544 PolarHBondContact N-O 3.4Å
515	R	95.9	Very high	95.5	Very high	93 Å²	93	35.9 Å²	35.9	35%	0.351	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-132.8	135.5	177.2	179.9	174	-179.3	-155.4	-0.4	110.2	K498 T519 E520	K498-R515 HydrophobicContact CG-CB 4.33Å; K498-R515 PolarHBondContact N-O 3.3Å; K498-R515 PolarHBondContact O-N 2.85Å; R515-T519 WeakPolarHBondContact CA-O 3.37Å; R515-E520 WeakPolarHBondContact CD-OE1 3.24Å; R515-E520 IonicContact NE-OE1 3.47Å
516	D	95.3	Very high	95.7	Very high	34 Å²	34	38.5 Å²	38.5	18%	0.182	20%	0.2	C	C	.	.			trans	-93.1	-161.6	169.6	70.4	18.7	0	0	0	111.3	R496 T518 T519 L521	R496-D516 WeakPolarHBondContact O-CB 3.49Å; D516-T518 PolarHBondContact O-N 3.05Å; D516-T518 WeakPolarHBondContact OD1-CA 3.37Å; D516-T518 PolarHBondContact OD1-N 2.73Å; D516-T518 PolarHBondContact OD1-OG1 3.49Å; D516-T519 PolarHBondContact N-O 3.41Å; D516-T519 PolarHBondContact OD1-N 3.48Å; D516-L521 HydrophobicContact CB-CD1 4.21Å; D516-L521 HydrophobicContact CB-CD2 4.27Å; D516-L521 HydrophobicContact CB-CG 4.49Å
517	D	93.1	Very high	96.2	Very high	99 Å²	99	34 Å²	34	53%	0.529	18%	0.178	S	C	.	.	S	Bend	trans	-64.4	-22.5	179.6	-66.3	-58.4	0	0	0	113.2	P473	P473-D517 WeakPolarHBondContact CD-OD1 3.15Å
518	T	92.6	Very high	96.6	Very high	111 Å²	111	31.1 Å²	31.1	68%	0.681	16%	0.163	S	C	*	.	S	Bend	trans	-118.7	-39.8	-169.2	66.4	0	0	0	0	113.6	D516	D516-T518 PolarHBondContact O-N 3.05Å; D516-T518 WeakPolarHBondContact OD1-CA 3.37Å; D516-T518 PolarHBondContact OD1-N 2.73Å; D516-T518 PolarHBondContact OD1-OG1 3.49Å
519	T	95.1	Very high	96.4	Very high	40 Å²	40	31.8 Å²	31.8	25%	0.245	17%	0.169	C	C	.	.	S	Bend	trans	-153.3	157.6	-163	-164.5	0	0	0	0	113.8	R515 D516 L521 R543	R515-T519 WeakPolarHBondContact CA-O 3.37Å; D516-T519 PolarHBondContact N-O 3.41Å; D516-T519 PolarHBondContact OD1-N 3.48Å; T519-L521 HydrophobicContact CG2-CD2 4.43Å; T519-R543 PolarHBondContact OG1-NH1 3.03Å
520	E	96.6	Very high	96.2	Very high	25 Å²	25	40.6 Å²	40.6	12%	0.117	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-65.5	139.9	166.6	-66.7	64.4	-145	0	0	110.4	R515 R543 F562 G564	R515-E520 WeakPolarHBondContact CD-OE1 3.24Å; R515-E520 IonicContact NE-OE1 3.47Å; E520-R543 HydrophobicContact CB-CB 3.89Å; E520-R543 VanDerWaalsContact O-CD 3.28Å; E520-R543 WeakPolarHBondContact O-CD 3.43Å; E520-R543 WeakPolarHBondContact O-CG 3.4Å; E520-R543 PolarHBondContact O-NH1 3.05Å; E520-F562 HydrophobicContact CG-CD1 4.13Å; E520-F562 WeakPolarHBondContact CG-O 3.47Å; E520-G564 WeakPolarHBondContact OE2-CA 3.28Å
521	L	97.4	Very high	96	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.073	22%	0.224	C	C	.	.			trans	-106	140.5	-170.9	-60.1	172.7	0	0	0	111.1	T495 R497 G513 G514 D516 T519 R543 R544	T495-L521 HydrophobicContact CG2-CD1 3.9Å; T495-L521 HydrophobicContact CG2-CD2 4.45Å; R497-L521 HydrophobicContact CG-CD1 3.79Å; G513-L521 WeakPolarHBondContact CA-O 3.42Å; G514-L521 PolarHBondContact O-N 3.15Å; D516-L521 HydrophobicContact CB-CD1 4.21Å; D516-L521 HydrophobicContact CB-CD2 4.27Å; D516-L521 HydrophobicContact CB-CG 4.49Å; T519-L521 HydrophobicContact CG2-CD2 4.43Å; L521-R543 WeakPolarHBondContact O-CA 3.29Å; L521-R544 PolarHBondContact O-N 3.28Å
522	S	97.3	Very high	96	Very high	33 Å²	33	47.2 Å²	47.2	23%	0.231	24%	0.24	C	C	.	.			trans	-103.3	-11.2	162.4	59.5	0	0	0	0	112.4	A539 M540 S542	S522-A539 WeakPolarHBondContact O-CA 3.28Å; S522-M540 WeakPolarHBondContact CB-O 3.47Å; S522-M540 PolarHBondContact O-N 3.45Å; S522-S542 VanDerWaalsContact CB-O 3.3Å; S522-S542 WeakPolarHBondContact CB-O 3.48Å
523	S	97.8	Very high	95.9	Very high	37 Å²	37	53.3 Å²	53.3	26%	0.259	27%	0.269	S	S	.	.			trans	-66	150.9	-177.6	60.2	0	0	0	0	111.9	R497 G513	R497-S523 PolarHBondContact NH1-O 3.17Å; R497-S523 PolarHBondContact NH1-OG 3.28Å; R497-S523 VanDerWaalsContact NH1-OG 3.11Å; R497-S523 PolarHBondContact NH2-OG 2.87Å; G513-S523 PolarHBondContact N-O 3.02Å; G513-S523 VanDerWaalsContact N-O 3.08Å
524	A	97.8	Very high	96	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.3	177.2	0	0	0	0	0	110.3	S511 V512 V537	S511-A524 CarbonylContact O-C 3.52Å; S511-A524 WeakPolarHBondContact O-CA 3.42Å; V512-A524 HydrophobicContact CB-CB 4.44Å; V512-A524 HydrophobicContact CG1-CB 4.33Å; V512-A524 HydrophobicContact CG2-CB 3.93Å; A524-V537 HydrophobicContact CB-CB 3.84Å; A524-V537 HydrophobicContact CB-CG1 4.2Å; A524-V537 PolarHBondContact O-N 2.82Å
525	E	97.9	Very high	96	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.065	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.2	176.2	-62.8	173.5	-108.5	0	0	108.7	G494 T495 R497 S511 W534 S535	G494-E525 WeakPolarHBondContact CA-OE2 3.34Å; G494-E525 PolarHBondContact N-OE2 3.06Å; T495-E525 VanDerWaalsContact CB-OE1 3.23Å; T495-E525 WeakPolarHBondContact CB-OE1 3.45Å; T495-E525 PolarHBondContact N-OE1 3.09Å; T495-E525 VanDerWaalsContact N-OE1 3.14Å; T495-E525 PolarHBondContact OG1-OE1 3.05Å; R497-E525 IonicContact CZ-OE1 3.73Å; R497-E525 IonicContact NE-OE1 3.71Å; R497-E525 PolarHBondContact NE-OE1 3.43Å; R497-E525 IonicContact NH2-OE1 3.37Å; R497-E525 PolarHBondContact NH2-OE1 3.45Å; S511-E525 PolarHBondContact N-O 3.35Å; S511-E525 PolarHBondContact O-N 3.31Å; E525-W534 HydrophobicContact CB-CE3 3.85Å; E525-W534 HydrophobicContact CB-CZ3 4.36Å; E525-S535 CarbonylContact C-O 3.57Å; E525-S535 WeakPolarHBondContact CA-O 3.49Å
526	R	97.5	Very high	96	Very high	78 Å²	78	57.9 Å²	57.9	29%	0.294	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.6	175.3	68.9	-178.1	179.2	-169.9	-4.3	111.6	M508 I509 Y510 W534 S535 V537	M508-R526 HydrophobicContact SD-CG 4.38Å; I509-R526 CarbonylContact O-C 3.53Å; I509-R526 WeakPolarHBondContact O-CA 3.41Å; Y510-R526 HydrophobicContact CD1-CB 4.15Å; Y510-R526 HydrophobicContact CD2-CB 4.05Å; Y510-R526 HydrophobicContact CE1-CB 4.09Å; Y510-R526 HydrophobicContact CE2-CB 3.95Å; Y510-R526 HydrophobicContact CG-CB 4.14Å; Y510-R526 WeakPolarHBondContact OH-CD 3.15Å; Y510-R526 PolarHBondContact OH-NH1 3.33Å; R526-W534 VanDerWaalsContact C-CE3 3.47Å; R526-W534 CarbonylContact O-C 3.56Å; R526-W534 VanDerWaalsContact O-CA 3.31Å; R526-W534 WeakPolarHBondContact O-CA 2.92Å; R526-S535 WeakPolarHBondContact CG-OG 3.49Å; R526-S535 PolarHBondContact N-O 3.24Å; R526-S535 PolarHBondContact NE-OG 2.96Å; R526-S535 PolarHBondContact O-N 3.27Å; R526-V537 HydrophobicContact CB-CG2 3.89Å; R526-V537 HydrophobicContact CG-CG2 3.79Å
527	Y	98.3	Very high	96	Very high	4 Å²	4	57 Å²	57	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.2	178.7	175.1	-105.2	0	0	0	111.3	Y463 M508 I509 P529 N532 Q533 W534	Y463-Y527 AromaticContact CE1-CE1 3.8Å; Y463-Y527 HydrophobicContact CE1-CE1 3.8Å; M508-Y527 WeakPolarHBondContact CA-O 3.37Å; M508-Y527 WeakPolarHBondContact CB-O 3.25Å; I509-Y527 HydrophobicContact CD1-CD1 4.08Å; I509-Y527 HydrophobicContact CG1-CD1 4.49Å; I509-Y527 PolarHBondContact N-O 2.86Å; I509-Y527 VanDerWaalsContact N-O 3.1Å; I509-Y527 PolarHBondContact O-N 3.34Å; Y527-P529 HydrophobicContact CE1-CB 3.89Å; Y527-N532 WeakPolarHBondContact CE2-OD1 3.34Å; Y527-N532 PolarHBondContact OH-OD1 2.91Å; Y527-Q533 WeakPolarHBondContact CA-O 3.44Å; Y527-W534 AromaticContact CD2-CD1 3.77Å; Y527-W534 HydrophobicContact CD2-CD2 4.15Å; Y527-W534 AromaticContact CD2-CE2 3.73Å; Y527-W534 HydrophobicContact CD2-CG 4.17Å; Y527-W534 HydrophobicContact CD2-CZ2 4.25Å; Y527-W534 AromaticContact CD2-NE1 3.47Å; Y527-W534 HydrophobicContact CG-CD2 4.35Å; Y527-W534 AromaticContact CG-CE2 3.94Å; Y527-W534 HydrophobicContact CG-CZ2 4.04Å
528	N	94.9	Very high	96.1	Very high	40 Å²	40	54.7 Å²	54.7	21%	0.214	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.5	172.4	-178.8	-14.4	0	0	0	109.7	M508 R530 T531 N532 Q533	M508-N528 HydrophobicContact CG-CB 4.49Å; N528-R530 PolarHBondContact O-N 2.69Å; N528-R530 WeakPolarHBondContact OD1-CB 3.37Å; N528-R530 PolarHBondContact OD1-N 3.37Å; N528-T531 WeakPolarHBondContact CB-OG1 3.39Å; N528-T531 PolarHBondContact O-N 3.04Å; N528-N532 WeakPolarHBondContact O-CA 3.43Å; N528-N532 PolarHBondContact O-N 3.15Å; N528-Q533 PolarHBondContact N-O 2.89Å; N528-Q533 PolarHBondContact O-N 2.91Å
529	P	91.1	Very high	96.3	Very high	42 Å²	42	51.7 Å²	51.7	27%	0.273	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.6	-178.8	29.2	-37.3	0	0	0	113.6	L458 Y527	L458-P529 HydrophobicContact CD2-CG 3.72Å; L458-P529 HydrophobicContact CG-CG 4.41Å; Y527-P529 HydrophobicContact CE1-CB 3.89Å
530	R	92.8	Very high	96.3	Very high	186 Å²	186	50.1 Å²	50.1	70%	0.702	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-37	178.4	-65.5	-177.1	-83.3	-98.8	0.5	111.9	N528	N528-R530 PolarHBondContact O-N 2.69Å; N528-R530 WeakPolarHBondContact OD1-CB 3.37Å; N528-R530 PolarHBondContact OD1-N 3.37Å
531	T	95.3	Very high	96.2	Very high	74 Å²	74	53.7 Å²	53.7	45%	0.454	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-10.3	179.1	59.3	0	0	0	0	112.9	N528 Q533	N528-T531 WeakPolarHBondContact CB-OG1 3.39Å; N528-T531 PolarHBondContact O-N 3.04Å; T531-Q533 VanDerWaalsContact C-N 3.29Å; T531-Q533 PolarHBondContact O-N 2.76Å
532	N	96.5	Very high	96	Very high	65 Å²	65	54.5 Å²	54.5	35%	0.348	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	48.6	-172.4	-175.9	33.9	0	0	0	111.3	S491 Y527 N528	S491-N532 WeakPolarHBondContact CB-O 3.33Å; S491-N532 WeakPolarHBondContact CB-OD1 3.25Å; S491-N532 PolarHBondContact N-OD1 2.87Å; S491-N532 VanDerWaalsContact OG-CG 3.24Å; S491-N532 PolarHBondContact OG-ND2 2.96Å; S491-N532 VanDerWaalsContact OG-ND2 3.16Å; S491-N532 PolarHBondContact OG-O 3.12Å; S491-N532 PolarHBondContact OG-OD1 3.32Å; Y527-N532 WeakPolarHBondContact CE2-OD1 3.34Å; Y527-N532 PolarHBondContact OH-OD1 2.91Å; N528-N532 WeakPolarHBondContact O-CA 3.43Å; N528-N532 PolarHBondContact O-N 3.15Å
533	Q	97.6	Very high	95.9	Very high	129 Å²	129	58.4 Å²	58.4	60%	0.603	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.9	-178	-73.5	179	-0.6	0	0	111.8	Y527 N528 T531	Y527-Q533 WeakPolarHBondContact CA-O 3.44Å; N528-Q533 PolarHBondContact N-O 2.89Å; N528-Q533 PolarHBondContact O-N 2.91Å; T531-Q533 VanDerWaalsContact C-N 3.29Å; T531-Q533 PolarHBondContact O-N 2.76Å
534	W	98.3	Very high	95.8	Very high	37 Å²	37	56.7 Å²	56.7	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.8	169.2	-70.4	88.3	0	0	0	110.1	V465 V477 S491 P492 M493 I509 S511 E525 R526 Y527	V465-W534 HydrophobicContact CG1-CH2 3.87Å; V465-W534 HydrophobicContact CG1-CZ2 4.04Å; V477-W534 HydrophobicContact CG2-CZ2 3.79Å; S491-W534 PolarHBondContact O-NE1 2.96Å; P492-W534 VanDerWaalsContact C-CD1 3.43Å; M493-W534 HydrophobicContact CB-CD2 4.44Å; M493-W534 HydrophobicContact CG-CD2 3.78Å; M493-W534 HydrophobicContact CG-CE3 3.99Å; M493-W534 HydrophobicContact CG-CG 4.48Å; M493-W534 HydrophobicContact CG-CH2 3.85Å; M493-W534 HydrophobicContact CG-CZ2 3.62Å; M493-W534 HydrophobicContact CG-CZ3 4.02Å; M493-W534 HydrophobicContact SD-CH2 4.18Å; M493-W534 HydrophobicContact SD-CZ2 4.43Å; M493-W534 HydrophobicContact SD-CZ3 4.39Å; I509-W534 HydrophobicContact CG2-CH2 4.43Å; S511-W534 WeakPolarHBondContact OG-CH2 3.44Å; E525-W534 HydrophobicContact CB-CE3 3.85Å; E525-W534 HydrophobicContact CB-CZ3 4.36Å; R526-W534 VanDerWaalsContact C-CE3 3.47Å; R526-W534 CarbonylContact O-C 3.56Å; R526-W534 VanDerWaalsContact O-CA 3.31Å; R526-W534 WeakPolarHBondContact O-CA 2.92Å; Y527-W534 AromaticContact CD2-CD1 3.77Å; Y527-W534 HydrophobicContact CD2-CD2 4.15Å; Y527-W534 AromaticContact CD2-CE2 3.73Å; Y527-W534 HydrophobicContact CD2-CG 4.17Å; Y527-W534 HydrophobicContact CD2-CZ2 4.25Å; Y527-W534 AromaticContact CD2-NE1 3.47Å; Y527-W534 HydrophobicContact CG-CD2 4.35Å; Y527-W534 AromaticContact CG-CE2 3.94Å; Y527-W534 HydrophobicContact CG-CZ2 4.04Å
535	S	96.6	Very high	95.6	Very high	42 Å²	42	56.9 Å²	56.9	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.1	173.3	61.4	0	0	0	0	110.1	E525 R526	E525-S535 CarbonylContact C-O 3.57Å; E525-S535 WeakPolarHBondContact CA-O 3.49Å; R526-S535 WeakPolarHBondContact CG-OG 3.49Å; R526-S535 PolarHBondContact N-O 3.24Å; R526-S535 PolarHBondContact NE-OG 2.96Å; R526-S535 PolarHBondContact O-N 3.27Å
536	P	96.2	Very high	95.3	Very high	110 Å²	110	56.7 Å²	56.7	71%	0.714	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	148.7	177	27.8	-34.4	0	0	0	111.4
537	V	95	Very high	95.2	Very high	16 Å²	16	53.4 Å²	53.4	10%	0.097	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.2	171.1	178.1	0	0	0	0	107.3	Y510 A524 R526 A539 Y574	Y510-V537 HydrophobicContact CD1-CG2 4.21Å; Y510-V537 HydrophobicContact CE1-CG1 4.25Å; Y510-V537 HydrophobicContact CE1-CG2 3.85Å; A524-V537 HydrophobicContact CB-CB 3.84Å; A524-V537 HydrophobicContact CB-CG1 4.2Å; A524-V537 PolarHBondContact O-N 2.82Å; R526-V537 HydrophobicContact CB-CG2 3.89Å; R526-V537 HydrophobicContact CG-CG2 3.79Å; V537-A539 PolarHBondContact O-N 3.13Å; V537-Y574 HydrophobicContact CG1-CE1 4.45Å; V537-Y574 HydrophobicContact CG1-CE2 3.99Å
538	V	94.9	Very high	94.9	Very high	49 Å²	49	53.6 Å²	53.6	30%	0.297	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-49.4	137.7	175.3	67.5	0	0	0	0	110.8	Y574 N579 W581	V538-Y574 HydrophobicContact CG1-CD2 4.17Å; V538-Y574 HydrophobicContact CG1-CE2 3.53Å; V538-N579 WeakPolarHBondContact CG1-O 3.36Å; V538-W581 PolarHBondContact O-NE1 3.1Å
539	A	96.4	Very high	95	Very high	48 Å²	48	52.2 Å²	52.2	40%	0.397	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-70.8	149.1	-179.5	0	0	0	0	0	111.1	S522 V537 W581	S522-A539 WeakPolarHBondContact O-CA 3.28Å; V537-A539 PolarHBondContact O-N 3.13Å; A539-W581 VanDerWaalsContact O-CD1 3.29Å
540	M	96.8	Very high	95.2	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.039	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.2	160.9	167.6	-67.3	-179.2	-61.2	0	0	111.1	V512 S522 S542 R544 A558 W581	V512-M540 HydrophobicContact CG1-CE 3.43Å; V512-M540 VanDerWaalsContact CG1-CE 3.43Å; V512-M540 HydrophobicContact CG1-CG 4.03Å; V512-M540 HydrophobicContact CG1-SD 3.32Å; V512-M540 WeakPolarHBondContact CG1-SD 3.46Å; S522-M540 WeakPolarHBondContact CB-O 3.47Å; S522-M540 PolarHBondContact O-N 3.45Å; M540-S542 WeakPolarHBondContact CB-O 3.37Å; M540-R544 HydrophobicContact CE-CB 4Å; M540-R544 HydrophobicContact CE-CG 3.85Å; M540-R544 HydrophobicContact SD-CG 4.31Å; M540-A558 HydrophobicContact SD-CB 3.66Å; M540-W581 HydrophobicContact CB-CG 4.43Å; M540-W581 HydrophobicContact CG-CD2 3.72Å; M540-W581 HydrophobicContact CG-CE3 4.19Å; M540-W581 HydrophobicContact CG-CG 3.98Å; M540-W581 HydrophobicContact CG-CZ2 4.14Å
541	T	93.7	Very high	95.2	Very high	100 Å²	100	43.6 Å²	43.6	61%	0.613	25%	0.252	S	S	*	.	S	Bend	trans	-65.8	-40.2	173.8	-41.3	0	0	0	0	111	E572	T541-E572 WeakPolarHBondContact CA-OE2 3.43Å; T541-E572 WeakPolarHBondContact CB-OE2 3.42Å; T541-E572 PolarHBondContact N-OE2 2.95Å; T541-E572 PolarHBondContact OG1-OE2 3.3Å
542	S	93.1	Very high	95	Very high	30 Å²	30	40 Å²	40	21%	0.21	23%	0.23	C	C	.	.	S	Bend	trans	-113.1	149.7	179.9	-59.6	0	0	0	0	112	S522 M540 E572	S522-S542 VanDerWaalsContact CB-O 3.3Å; S522-S542 WeakPolarHBondContact CB-O 3.48Å; M540-S542 WeakPolarHBondContact CB-O 3.37Å; S542-E572 PolarHBondContact N-OE1 3.27Å
543	R	96.2	Very high	94.3	Very high	116 Å²	116	38.7 Å²	38.7	44%	0.438	22%	0.223	S	C	.	.			trans	-73.1	137.9	168.4	-63.5	167.1	-176.1	-114.8	8.3	108.8	T519 E520 L521 D563	T519-R543 PolarHBondContact OG1-NH1 3.03Å; E520-R543 HydrophobicContact CB-CB 3.89Å; E520-R543 VanDerWaalsContact O-CD 3.28Å; E520-R543 WeakPolarHBondContact O-CD 3.43Å; E520-R543 WeakPolarHBondContact O-CG 3.4Å; E520-R543 PolarHBondContact O-NH1 3.05Å; L521-R543 WeakPolarHBondContact O-CA 3.29Å; R543-D563 HydrophobicContact CB-CB 4.3Å; R543-D563 VanDerWaalsContact O-CA 3.24Å; R543-D563 WeakPolarHBondContact O-CA 3.42Å; R543-D563 VanDerWaalsContact O-CB 3.24Å; R543-D563 WeakPolarHBondContact O-CB 3.05Å
544	R	94.8	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.217	C	C	.	.			trans	-143.1	99.8	-176	-49.4	-176.1	172.5	-102.1	-2.5	112	G514 L521 M540 V547 G560 L568 T570 E572	G514-R544 PolarHBondContact N-O 3.4Å; L521-R544 PolarHBondContact O-N 3.28Å; M540-R544 HydrophobicContact CE-CB 4Å; M540-R544 HydrophobicContact CE-CG 3.85Å; M540-R544 HydrophobicContact SD-CG 4.31Å; R544-V547 HydrophobicContact CB-CB 3.72Å; R544-V547 HydrophobicContact CB-CG1 4.36Å; R544-V547 HydrophobicContact CB-CG2 3.94Å; R544-G560 PolarHBondContact NH1-O 3.32Å; R544-L568 HydrophobicContact CG-CD1 3.81Å; R544-T570 PolarHBondContact NH1-O 3.07Å; R544-T570 PolarHBondContact NH2-OG1 2.91Å; R544-E572 IonicContact CZ-OE1 3.2Å; R544-E572 VanDerWaalsContact CZ-OE1 3.23Å; R544-E572 IonicContact NE-OE1 2.61Å; R544-E572 PolarHBondContact NE-OE1 3.09Å; R544-E572 IonicContact NH2-OE1 3.68Å; R544-E572 PolarHBondContact NH2-OE1 3.15Å
545	S	94.4	Very high	93.1	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.042	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-91.4	141	164.4	176.7	0	0	0	0	110.6	V547 G561 F562 L592	S545-V547 VanDerWaalsContact C-N 3.32Å; S545-G561 CarbonylContact O-C 3.56Å; S545-G561 WeakPolarHBondContact O-CA 3.33Å; S545-F562 PolarHBondContact N-O 2.87Å; S545-F562 PolarHBondContact O-N 2.81Å; S545-L592 WeakPolarHBondContact O-CD1 3.43Å
546	G	91.3	Very high	93	Very high	11 Å²	11	35.3 Å²	35.3	11%	0.113	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	34	-173.1	0	0	0	0	0	112.8	H499 G593	H499-G546 WeakPolarHBondContact O-CA 3.41Å; H499-G546 PolarHBondContact O-N 2.8Å; G546-G593 PolarHBondContact O-N 2.89Å
547	V	94.1	Very high	92.9	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.048	18%	0.183	C	C	.	.			trans	-78.5	133.6	-178.9	63.1	0	0	0	0	111.1	G501 V512 R544 S545 A558	G501-V547 WeakPolarHBondContact CA-O 3.49Å; G501-V547 VanDerWaalsContact N-CG1 3.33Å; V512-V547 WeakPolarHBondContact O-CG1 3.41Å; R544-V547 HydrophobicContact CB-CB 3.72Å; R544-V547 HydrophobicContact CB-CG1 4.36Å; R544-V547 HydrophobicContact CB-CG2 3.94Å; S545-V547 VanDerWaalsContact C-N 3.32Å; V547-A558 HydrophobicContact CG2-CB 3.99Å
548	G	93.8	Very high	93	Very high	8 Å²	8	29.5 Å²	29.5	8%	0.082	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.8	166.4	0	0	0	0	0	109.8	A558 V559	G548-A558 CarbonylContact O-C 3.59Å; G548-A558 WeakPolarHBondContact O-CA 3.33Å; G548-V559 PolarHBondContact N-O 2.71Å; G548-V559 PolarHBondContact O-N 3.48Å
549	L	96.4	Very high	92.9	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.063	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127	176.8	-170.2	73.9	0	0	0	109.2	A503 V512 L556 M557 A558 W581	A503-L549 HydrophobicContact CB-CB 4.46Å; A503-L549 HydrophobicContact CB-CD2 3.88Å; A503-L549 HydrophobicContact CB-CG 3.86Å; V512-L549 HydrophobicContact CB-CD1 4.15Å; V512-L549 HydrophobicContact CB-CD2 3.95Å; V512-L549 HydrophobicContact CG2-CD1 3.99Å; V512-L549 HydrophobicContact CG2-CD2 3.58Å; V512-L549 HydrophobicContact CG2-CG 4.48Å; L549-L556 HydrophobicContact CD1-CD1 3.8Å; L549-L556 HydrophobicContact CD1-CG 4.05Å; L549-L556 HydrophobicContact CD2-CD1 4.13Å; L549-L556 HydrophobicContact CG-CD1 3.8Å; L549-M557 WeakPolarHBondContact CA-O 3.34Å; L549-A558 HydrophobicContact CD1-CB 4.05Å; L549-W581 HydrophobicContact CD1-CH2 4.35Å
550	A	95.3	Very high	92.6	Very high	10 Å²	10	25.2 Å²	25.2	8%	0.083	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	160.1	178.8	0	0	0	0	0	111.4	L320 M557 V596 V598	L320-A550 HydrophobicContact CD1-CB 3.56Å; A550-M557 PolarHBondContact N-O 2.97Å; A550-M557 VanDerWaalsContact N-O 3.12Å; A550-M557 PolarHBondContact O-N 2.77Å; A550-V596 HydrophobicContact CB-CG2 4.08Å; A550-V598 HydrophobicContact CB-CG2 3.6Å
551	V	92.9	Very high	92.3	Very high	36 Å²	36	24.8 Å²	24.8	22%	0.218	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.1	170.3	178.4	0	0	0	0	108	A503 V504 Y505 Q555 L556	A503-V551 HydrophobicContact CB-CG2 4.47Å; V504-V551 VanDerWaalsContact O-CG2 3.25Å; V504-V551 WeakPolarHBondContact O-CG2 3.36Å; Y505-V551 HydrophobicContact CD2-CG1 4.2Å; Y505-V551 HydrophobicContact CD2-CG2 3.85Å; Y505-V551 HydrophobicContact CG-CG2 4.38Å; V551-Q555 CarbonylContact C-O 3.43Å; V551-Q555 VanDerWaalsContact CA-O 3.29Å; V551-Q555 WeakPolarHBondContact CA-O 3.2Å; V551-L556 HydrophobicContact CG2-CB 4.49Å; V551-L556 HydrophobicContact CG2-CD1 3.83Å
552	V	89.7	Confident	92.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.8	-178.5	-164.5	0	0	0	0	108.2	E318 L320 P340 G554 Q555 M557 V598	E318-V552 HydrophobicContact CB-CG1 3.74Å; E318-V552 WeakPolarHBondContact O-CG1 3.29Å; E318-V552 WeakPolarHBondContact OE2-CA 3.32Å; L320-V552 HydrophobicContact CB-CG2 3.86Å; L320-V552 HydrophobicContact CD1-CG2 3.71Å; L320-V552 HydrophobicContact CG-CG2 4.39Å; P340-V552 HydrophobicContact CG-CB 4.48Å; P340-V552 HydrophobicContact CG-CG1 3.5Å; P340-V552 VanDerWaalsContact CG-CG1 3.5Å; V552-G554 PolarHBondContact O-N 3.11Å; V552-G554 VanDerWaalsContact O-N 3.16Å; V552-Q555 PolarHBondContact N-O 3.29Å; V552-Q555 WeakPolarHBondContact O-CB 3.32Å; V552-Q555 PolarHBondContact O-N 3.1Å; V552-M557 HydrophobicContact CB-SD 3.86Å; V552-M557 HydrophobicContact CG2-CG 4.29Å; V552-M557 HydrophobicContact CG2-SD 3.73Å; V552-V598 HydrophobicContact CG2-CG2 3.96Å
553	N	82.8	Confident	92.2	Very high	37 Å²	37	22.8 Å²	22.8	20%	0.198	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	36.5	-176.4	-64.3	-44	0	0	0	113	G317 E318 P340 Q555	G317-N553 WeakPolarHBondContact CA-OD1 3.32Å; E318-N553 PolarHBondContact N-OD1 2.97Å; E318-N553 PolarHBondContact O-ND2 2.97Å; E318-N553 PolarHBondContact OE2-N 3.45Å; P340-N553 WeakPolarHBondContact CG-ND2 3.14Å; N553-Q555 VanDerWaalsContact C-N 3.3Å; N553-Q555 PolarHBondContact O-N 3.05Å
554	G	83.1	Confident	91.9	Very high	46 Å²	46	18.9 Å²	18.9	47%	0.474	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	12.5	-178.2	0	0	0	0	0	114.9	Y505 V552	Y505-G554 VanDerWaalsContact CE2-O 3.3Å; Y505-G554 WeakPolarHBondContact CE2-O 3.46Å; V552-G554 PolarHBondContact O-N 3.11Å; V552-G554 VanDerWaalsContact O-N 3.16Å
555	Q	88.1	Confident	91.6	Very high	91 Å²	91	24.9 Å²	24.9	43%	0.425	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.3	174.9	-64.2	-174.7	-28.7	0	0	110.7	V551 V552 N553 V573	V551-Q555 CarbonylContact C-O 3.43Å; V551-Q555 VanDerWaalsContact CA-O 3.29Å; V551-Q555 WeakPolarHBondContact CA-O 3.2Å; V552-Q555 PolarHBondContact N-O 3.29Å; V552-Q555 WeakPolarHBondContact O-CB 3.32Å; V552-Q555 PolarHBondContact O-N 3.1Å; N553-Q555 VanDerWaalsContact C-N 3.3Å; N553-Q555 PolarHBondContact O-N 3.05Å; Q555-V573 HydrophobicContact CB-CG1 3.87Å; Q555-V573 HydrophobicContact CG-CG1 4.41Å
556	L	94.1	Very high	91.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.5	176.8	179.8	68.8	0	0	0	109.8	A503 Y505 Y510 L549 V551 V573 Y574 W581	A503-L556 HydrophobicContact CB-CD1 3.87Å; Y505-L556 HydrophobicContact CD1-CB 4.37Å; Y505-L556 HydrophobicContact CD1-CD2 4.43Å; Y505-L556 HydrophobicContact CD2-CB 4.19Å; Y505-L556 HydrophobicContact CE2-CB 4.48Å; Y505-L556 HydrophobicContact CG-CB 4.13Å; Y510-L556 HydrophobicContact CD1-CD2 3.65Å; Y510-L556 HydrophobicContact CE1-CD2 4.23Å; Y510-L556 HydrophobicContact CG-CD2 3.89Å; L549-L556 HydrophobicContact CD1-CD1 3.8Å; L549-L556 HydrophobicContact CD1-CG 4.05Å; L549-L556 HydrophobicContact CD2-CD1 4.13Å; L549-L556 HydrophobicContact CG-CD1 3.8Å; V551-L556 HydrophobicContact CG2-CB 4.49Å; V551-L556 HydrophobicContact CG2-CD1 3.83Å; L556-V573 WeakPolarHBondContact O-CA 3.41Å; L556-Y574 HydrophobicContact CD2-CD1 4.31Å; L556-Y574 PolarHBondContact O-N 3.4Å; L556-W581 HydrophobicContact CD2-CH2 4.03Å; L556-W581 HydrophobicContact CG-CH2 4.25Å
557	M	94.9	Very high	91.1	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.7	-173.9	-50.4	-171.3	86.5	0	0	111.8	Y338 L549 A550 V552 V559 I571 E572 V573	Y338-M557 HydrophobicContact CD1-CE 4.3Å; Y338-M557 HydrophobicContact CD1-SD 4.4Å; Y338-M557 HydrophobicContact CE1-CE 3.54Å; Y338-M557 HydrophobicContact CE1-SD 4.04Å; L549-M557 WeakPolarHBondContact CA-O 3.34Å; A550-M557 PolarHBondContact N-O 2.97Å; A550-M557 VanDerWaalsContact N-O 3.12Å; A550-M557 PolarHBondContact O-N 2.77Å; V552-M557 HydrophobicContact CB-SD 3.86Å; V552-M557 HydrophobicContact CG2-CG 4.29Å; V552-M557 HydrophobicContact CG2-SD 3.73Å; M557-V559 HydrophobicContact CB-CG2 4.46Å; M557-I571 HydrophobicContact CB-CG2 4.19Å; M557-I571 HydrophobicContact CE-CG2 3.88Å; M557-E572 CarbonylContact C-O 3.35Å; M557-E572 WeakPolarHBondContact CA-O 3.29Å; M557-V573 HydrophobicContact CE-CG2 3.47Å; M557-V573 VanDerWaalsContact CE-CG2 3.47Å; M557-V573 HydrophobicContact CG-CG2 4.13Å
558	A	95.4	Very high	90.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.5	173.4	0	0	0	0	0	110.2	M540 V547 G548 L549 I571 E572 W581	M540-A558 HydrophobicContact SD-CB 3.66Å; V547-A558 HydrophobicContact CG2-CB 3.99Å; G548-A558 CarbonylContact O-C 3.59Å; G548-A558 WeakPolarHBondContact O-CA 3.33Å; L549-A558 HydrophobicContact CD1-CB 4.05Å; A558-I571 CarbonylContact O-C 3.48Å; A558-I571 VanDerWaalsContact O-CA 3.26Å; A558-I571 WeakPolarHBondContact O-CA 3.37Å; A558-I571 WeakPolarHBondContact O-CG2 3.41Å; A558-E572 PolarHBondContact N-O 3.12Å; A558-E572 PolarHBondContact O-N 3.44Å; A558-W581 HydrophobicContact CB-CH2 4.33Å; A558-W581 HydrophobicContact CB-CZ3 3.89Å
559	V	93.6	Very high	90.5	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.036	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123	-165	-176.2	0	0	0	0	110.6	L320 W345 G548 M557 I571 M587 V596	L320-V559 HydrophobicContact CD1-CG2 4.47Å; L320-V559 HydrophobicContact CD2-CG1 4.45Å; L320-V559 HydrophobicContact CD2-CG2 3.84Å; W345-V559 HydrophobicContact CH2-CG1 4.03Å; W345-V559 HydrophobicContact CZ2-CG1 4.26Å; G548-V559 PolarHBondContact N-O 2.71Å; G548-V559 PolarHBondContact O-N 3.48Å; M557-V559 HydrophobicContact CB-CG2 4.46Å; V559-I571 HydrophobicContact CG1-CG1 4.39Å; V559-I571 HydrophobicContact CG2-CG1 4.46Å; V559-I571 HydrophobicContact CG2-CG2 4.12Å; V559-M587 HydrophobicContact CG1-CE 3.8Å; V559-M587 HydrophobicContact CG1-CG 4.48Å; V559-M587 HydrophobicContact CG1-SD 3.63Å; V559-V596 HydrophobicContact CB-CG1 4.28Å
560	G	90.6	Very high	90.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	21%	0.209	C	C	.	.			trans	66.1	-146.3	172.7	0	0	0	0	0	114.4	R544 T570	R544-G560 PolarHBondContact NH1-O 3.32Å; G560-T570 PolarHBondContact N-O 3.48Å; G560-T570 VanDerWaalsContact N-O 3.16Å
561	G	90.9	Very high	90.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.205	C	C	.	.			trans	100.5	-169.5	-178.6	0	0	0	0	0	113.9	S545 L568 R591	S545-G561 CarbonylContact O-C 3.56Å; S545-G561 WeakPolarHBondContact O-CA 3.33Å; G561-L568 WeakPolarHBondContact O-CB 3.19Å; G561-L568 PolarHBondContact O-N 3.17Å; G561-R591 PolarHBondContact N-O 3Å
562	F	90.9	Very high	90.2	Very high	43 Å²	43	34 Å²	34	19%	0.189	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-129.1	134.5	179.1	175.6	-110.6	0	0	0	110.1	E520 S545 G564 T566 Y567 L592	E520-F562 HydrophobicContact CG-CD1 4.13Å; E520-F562 WeakPolarHBondContact CG-O 3.47Å; S545-F562 PolarHBondContact N-O 2.87Å; S545-F562 PolarHBondContact O-N 2.81Å; F562-G564 VanDerWaalsContact CZ-O 3.23Å; F562-G564 WeakPolarHBondContact CZ-O 3.33Å; F562-T566 WeakPolarHBondContact CD2-O 3.24Å; F562-Y567 HydrophobicContact CD2-CD1 4.12Å; F562-Y567 HydrophobicContact CD2-CE1 4.23Å; F562-Y567 HydrophobicContact CD2-CG 4.39Å; F562-L592 HydrophobicContact CB-CD1 3.73Å
563	D	92.5	Very high	90.4	Very high	44 Å²	44	34.3 Å²	34.3	24%	0.235	20%	0.197	C	C	.	.			trans	-97.6	2.5	-174.5	67.5	8.1	0	0	0	114.5	R543 T565 T566 L568	R543-D563 HydrophobicContact CB-CB 4.3Å; R543-D563 VanDerWaalsContact O-CA 3.24Å; R543-D563 WeakPolarHBondContact O-CA 3.42Å; R543-D563 VanDerWaalsContact O-CB 3.24Å; R543-D563 WeakPolarHBondContact O-CB 3.05Å; D563-T565 WeakPolarHBondContact OD1-CA 3.42Å; D563-T565 PolarHBondContact OD1-N 3.09Å; D563-T566 PolarHBondContact N-O 3.26Å; D563-T566 PolarHBondContact OD1-N 2.91Å; D563-L568 HydrophobicContact CB-CD1 4.28Å; D563-L568 HydrophobicContact CB-CD2 4.34Å; D563-L568 HydrophobicContact CB-CG 4.45Å
564	G	89.8	Confident	90.9	Very high	35 Å²	35	33.1 Å²	33.1	36%	0.361	19%	0.189	S	C	.	.	S	Bend	trans	104.6	-20.4	-172.6	0	0	0	0	0	113.1	E520 F562	E520-G564 WeakPolarHBondContact OE2-CA 3.28Å; F562-G564 VanDerWaalsContact CZ-O 3.23Å; F562-G564 WeakPolarHBondContact CZ-O 3.33Å
565	T	89.3	Confident	91	Very high	126 Å²	126	32.3 Å²	32.3	77%	0.773	17%	0.174	S	C	*	.	S	Bend	trans	-124.5	-46.2	-180	-50.4	0	0	0	0	112.3	D563	D563-T565 WeakPolarHBondContact OD1-CA 3.42Å; D563-T565 PolarHBondContact OD1-N 3.09Å
566	T	87.7	Confident	90.6	Very high	55 Å²	55	30 Å²	30	34%	0.337	17%	0.167	S	C	.	.	S	Bend	trans	-128.5	140.4	-168.1	-52.8	0	0	0	0	111.2	F562 D563 L568	F562-T566 WeakPolarHBondContact CD2-O 3.24Å; D563-T566 PolarHBondContact N-O 3.26Å; D563-T566 PolarHBondContact OD1-N 2.91Å; T566-L568 PolarHBondContact O-N 2.81Å
567	Y	87.3	Confident	89.9	Confident	73 Å²	73	37.5 Å²	37.5	29%	0.286	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-72.2	121.2	166.6	-60.8	-81.4	0	0	0	109.8	F562 R590 L592	F562-Y567 HydrophobicContact CD2-CD1 4.12Å; F562-Y567 HydrophobicContact CD2-CE1 4.23Å; F562-Y567 HydrophobicContact CD2-CG 4.39Å; Y567-R590 WeakPolarHBondContact O-CD 3.44Å; Y567-R590 VanDerWaalsContact O-CG 3.28Å; Y567-R590 WeakPolarHBondContact O-CG 3.31Å; Y567-L592 HydrophobicContact CD1-CB 3.64Å; Y567-L592 HydrophobicContact CD1-CD2 4.46Å; Y567-L592 HydrophobicContact CE1-CB 3.7Å; Y567-L592 HydrophobicContact CE1-CD2 3.75Å; Y567-L592 HydrophobicContact CE1-CG 4.31Å
568	L	87.9	Confident	89.1	Confident	16 Å²	16	39.8 Å²	39.8	8%	0.084	23%	0.226	C	C	.	.			trans	-84.2	141.7	-174.6	-57.6	177.6	0	0	0	111	R544 G561 D563 T566	R544-L568 HydrophobicContact CG-CD1 3.81Å; G561-L568 WeakPolarHBondContact O-CB 3.19Å; G561-L568 PolarHBondContact O-N 3.17Å; D563-L568 HydrophobicContact CB-CD1 4.28Å; D563-L568 HydrophobicContact CB-CD2 4.34Å; D563-L568 HydrophobicContact CB-CG 4.45Å; T566-L568 PolarHBondContact O-N 2.81Å
569	K	88	Confident	88.5	Confident	103 Å²	103	43.6 Å²	43.6	45%	0.448	25%	0.247	S	C	.	.			trans	-107.2	-12.5	164.3	63.3	176.6	-176.6	169.7	0	112.7	G586 M587 R590	K569-G586 CarbonylContact O-C 3.57Å; K569-G586 WeakPolarHBondContact O-CA 3.49Å; K569-M587 HydrophobicContact CB-CB 4.42Å; K569-M587 WeakPolarHBondContact CD-O 3.21Å; K569-M587 PolarHBondContact O-N 3.05Å; K569-R590 HydrophobicContact CB-CG 4.23Å
570	T	91.1	Very high	88.3	Confident	34 Å²	34	46.2 Å²	46.2	21%	0.209	26%	0.263	C	S	.	.			trans	-72.4	158.7	-174.4	57.1	0	0	0	0	112	R544 G560 L583	R544-T570 PolarHBondContact NH1-O 3.07Å; R544-T570 PolarHBondContact NH2-OG1 2.91Å; G560-T570 PolarHBondContact N-O 3.48Å; G560-T570 VanDerWaalsContact N-O 3.16Å; T570-L583 HydrophobicContact CG2-CD1 4.23Å
571	I	92.5	Very high	88.5	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.7	175.2	-53.3	155.4	0	0	0	108	W345 M557 A558 V559 Y584	W345-I571 HydrophobicContact CZ2-CD1 3.35Å; W345-I571 HydrophobicContact CZ2-CG1 4.06Å; W345-I571 VanDerWaalsContact NE1-CD1 3.29Å; M557-I571 HydrophobicContact CB-CG2 4.19Å; M557-I571 HydrophobicContact CE-CG2 3.88Å; A558-I571 CarbonylContact O-C 3.48Å; A558-I571 VanDerWaalsContact O-CA 3.26Å; A558-I571 WeakPolarHBondContact O-CA 3.37Å; A558-I571 WeakPolarHBondContact O-CG2 3.41Å; V559-I571 HydrophobicContact CG1-CG1 4.39Å; V559-I571 HydrophobicContact CG2-CG1 4.46Å; V559-I571 HydrophobicContact CG2-CG2 4.12Å; I571-Y584 PolarHBondContact O-N 3.42Å
572	E	94.4	Very high	88.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.7	169.5	-71.9	176.9	-106	0	0	110.2	T541 S542 R544 M557 A558 W581 R582 L583	T541-E572 WeakPolarHBondContact CA-OE2 3.43Å; T541-E572 WeakPolarHBondContact CB-OE2 3.42Å; T541-E572 PolarHBondContact N-OE2 2.95Å; T541-E572 PolarHBondContact OG1-OE2 3.3Å; S542-E572 PolarHBondContact N-OE1 3.27Å; R544-E572 IonicContact CZ-OE1 3.2Å; R544-E572 VanDerWaalsContact CZ-OE1 3.23Å; R544-E572 IonicContact NE-OE1 2.61Å; R544-E572 PolarHBondContact NE-OE1 3.09Å; R544-E572 IonicContact NH2-OE1 3.68Å; R544-E572 PolarHBondContact NH2-OE1 3.15Å; M557-E572 CarbonylContact C-O 3.35Å; M557-E572 WeakPolarHBondContact CA-O 3.29Å; A558-E572 PolarHBondContact N-O 3.12Å; A558-E572 PolarHBondContact O-N 3.44Å; E572-W581 HydrophobicContact CB-CB 4.38Å; E572-W581 HydrophobicContact CB-CE3 3.77Å; E572-W581 HydrophobicContact CB-CZ3 4.48Å; E572-R582 CarbonylContact C-O 3.6Å; E572-R582 VanDerWaalsContact CA-O 3.29Å; E572-R582 WeakPolarHBondContact CA-O 3.2Å; E572-L583 HydrophobicContact CG-CD1 3.67Å
573	V	93.8	Very high	88.3	Confident	8 Å²	8	55.6 Å²	55.6	5%	0.048	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.3	177.4	-175.3	0	0	0	0	109	Q555 L556 M557 W581 R582 Y584	Q555-V573 HydrophobicContact CB-CG1 3.87Å; Q555-V573 HydrophobicContact CG-CG1 4.41Å; L556-V573 WeakPolarHBondContact O-CA 3.41Å; M557-V573 HydrophobicContact CE-CG2 3.47Å; M557-V573 VanDerWaalsContact CE-CG2 3.47Å; M557-V573 HydrophobicContact CG-CG2 4.13Å; V573-W581 WeakPolarHBondContact O-CA 3.5Å; V573-R582 PolarHBondContact N-O 2.87Å; V573-R582 PolarHBondContact O-N 2.77Å; V573-Y584 HydrophobicContact CB-CD2 4.15Å; V573-Y584 HydrophobicContact CB-CE2 3.82Å; V573-Y584 HydrophobicContact CG2-CD2 3.6Å; V573-Y584 HydrophobicContact CG2-CE2 3.63Å; V573-Y584 HydrophobicContact CG2-CG 4.49Å
574	Y	93.1	Very high	87.8	Confident	11 Å²	11	57.4 Å²	57.4	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.2	177.5	-177.4	-124.5	0	0	0	110.8	Y505 Y510 V537 V538 L556 P576 N579 T580 W581	Y505-Y574 HydrophobicContact CE1-CD1 4.2Å; Y505-Y574 HydrophobicContact CE1-CE1 4.48Å; Y510-Y574 HydrophobicContact CE1-CD1 4.44Å; Y510-Y574 HydrophobicContact CE1-CE1 4.1Å; V537-Y574 HydrophobicContact CG1-CE1 4.45Å; V537-Y574 HydrophobicContact CG1-CE2 3.99Å; V538-Y574 HydrophobicContact CG1-CD2 4.17Å; V538-Y574 HydrophobicContact CG1-CE2 3.53Å; L556-Y574 HydrophobicContact CD2-CD1 4.31Å; L556-Y574 PolarHBondContact O-N 3.4Å; Y574-P576 HydrophobicContact CE1-CB 4.13Å; Y574-N579 PolarHBondContact OH-OD1 2.88Å; Y574-T580 WeakPolarHBondContact CD2-O 3.45Å; Y574-W581 HydrophobicContact CD2-CD2 4.15Å; Y574-W581 AromaticContact CD2-CE2 3.85Å; Y574-W581 HydrophobicContact CD2-CG 4.4Å; Y574-W581 HydrophobicContact CD2-CZ2 4.26Å; Y574-W581 AromaticContact CD2-NE1 3.87Å; Y574-W581 HydrophobicContact CG-CH2 4.5Å; Y574-W581 HydrophobicContact CG-CZ2 4.21Å
575	D	84.9	Confident	86.7	Confident	29 Å²	29	58.3 Å²	58.3	16%	0.155	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	107.4	171.2	-177.7	-18.8	0	0	0	108.5	D577 A578 N579 T580 R582	D575-D577 VanDerWaalsContact C-N 3.33Å; D575-D577 PolarHBondContact OD1-N 2.83Å; D575-A578 HydrophobicContact CB-CB 4.2Å; D575-A578 PolarHBondContact OD1-N 2.75Å; D575-A578 WeakPolarHBondContact OD2-CB 3.42Å; D575-N579 WeakPolarHBondContact O-CA 3.44Å; D575-N579 PolarHBondContact O-N 2.9Å; D575-T580 PolarHBondContact N-O 3.46Å; D575-T580 PolarHBondContact O-N 2.95Å; D575-T580 VanDerWaalsContact O-N 3.15Å; D575-R582 IonicContact OD2-CZ 2.66Å; D575-R582 VanDerWaalsContact OD2-CZ 3.29Å; D575-R582 IonicContact OD2-NE 3.9Å; D575-R582 PolarHBondContact OD2-NE 2.87Å; D575-R582 IonicContact OD2-NH2 3.68Å; D575-R582 PolarHBondContact OD2-NH2 2.72Å
576	P	80.6	Confident	85.9	Confident	42 Å²	42	53.4 Å²	53.4	27%	0.273	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.9	-179.3	30.7	-37	0	0	0	113	Y574 N579	Y574-P576 HydrophobicContact CE1-CB 4.13Å; P576-N579 PolarHBondContact O-N 2.95Å
577	D	78.2	Confident	85.4	Confident	158 Å²	158	51 Å²	51	85%	0.845	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-42.9	-176.6	-62.9	-37.2	0	0	0	110.3	D575 N579	D575-D577 VanDerWaalsContact C-N 3.33Å; D575-D577 PolarHBondContact OD1-N 2.83Å; D577-N579 VanDerWaalsContact C-N 3.32Å
578	A	78.9	Confident	84.9	Confident	51 Å²	51	51.9 Å²	51.9	42%	0.421	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14	172.9	0	0	0	0	0	113	D575 T580	D575-A578 HydrophobicContact CB-CB 4.2Å; D575-A578 PolarHBondContact OD1-N 2.75Å; D575-A578 WeakPolarHBondContact OD2-CB 3.42Å; A578-T580 VanDerWaalsContact C-N 3.34Å; A578-T580 PolarHBondContact O-N 3.28Å
579	N	81.7	Confident	84	Confident	81 Å²	81	56.8 Å²	56.8	43%	0.433	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	53.1	-169.3	-170.9	37.1	0	0	0	112.3	V538 Y574 D575 P576 D577	V538-N579 WeakPolarHBondContact CG1-O 3.36Å; Y574-N579 PolarHBondContact OH-OD1 2.88Å; D575-N579 WeakPolarHBondContact O-CA 3.44Å; D575-N579 PolarHBondContact O-N 2.9Å; P576-N579 PolarHBondContact O-N 2.95Å; D577-N579 VanDerWaalsContact C-N 3.32Å
580	T	91.2	Very high	83.4	Confident	60 Å²	60	57.9 Å²	57.9	37%	0.368	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.6	179.5	55.1	0	0	0	0	111.6	Y574 D575 A578	Y574-T580 WeakPolarHBondContact CD2-O 3.45Å; D575-T580 PolarHBondContact N-O 3.46Å; D575-T580 PolarHBondContact O-N 2.95Å; D575-T580 VanDerWaalsContact O-N 3.15Å; A578-T580 VanDerWaalsContact C-N 3.34Å; A578-T580 PolarHBondContact O-N 3.28Å
581	W	94.1	Very high	82.7	Confident	18 Å²	18	56.7 Å²	56.7	7%	0.068	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.9	168.2	-69.2	89.2	0	0	0	109.7	V512 V538 A539 M540 L549 L556 A558 E572 V573 Y574	V512-W581 HydrophobicContact CG1-CH2 4.23Å; V512-W581 HydrophobicContact CG1-CZ2 4.15Å; V512-W581 HydrophobicContact CG2-CH2 4.26Å; V512-W581 HydrophobicContact CG2-CZ2 4.18Å; V538-W581 PolarHBondContact O-NE1 3.1Å; A539-W581 VanDerWaalsContact O-CD1 3.29Å; M540-W581 HydrophobicContact CB-CG 4.43Å; M540-W581 HydrophobicContact CG-CD2 3.72Å; M540-W581 HydrophobicContact CG-CE3 4.19Å; M540-W581 HydrophobicContact CG-CG 3.98Å; M540-W581 HydrophobicContact CG-CZ2 4.14Å; L549-W581 HydrophobicContact CD1-CH2 4.35Å; L556-W581 HydrophobicContact CD2-CH2 4.03Å; L556-W581 HydrophobicContact CG-CH2 4.25Å; A558-W581 HydrophobicContact CB-CH2 4.33Å; A558-W581 HydrophobicContact CB-CZ3 3.89Å; E572-W581 HydrophobicContact CB-CB 4.38Å; E572-W581 HydrophobicContact CB-CE3 3.77Å; E572-W581 HydrophobicContact CB-CZ3 4.48Å; V573-W581 WeakPolarHBondContact O-CA 3.5Å; Y574-W581 HydrophobicContact CD2-CD2 4.15Å; Y574-W581 AromaticContact CD2-CE2 3.85Å; Y574-W581 HydrophobicContact CD2-CG 4.4Å; Y574-W581 HydrophobicContact CD2-CZ2 4.26Å; Y574-W581 AromaticContact CD2-NE1 3.87Å; Y574-W581 HydrophobicContact CG-CH2 4.5Å; Y574-W581 HydrophobicContact CG-CZ2 4.21Å
582	R	90.7	Very high	81.9	Confident	128 Å²	128	58.7 Å²	58.7	48%	0.483	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129	177	-62.5	-175.1	-171.1	-165.3	4.1	109.9	E572 V573 D575 Y584	E572-R582 CarbonylContact C-O 3.6Å; E572-R582 VanDerWaalsContact CA-O 3.29Å; E572-R582 WeakPolarHBondContact CA-O 3.2Å; V573-R582 PolarHBondContact N-O 2.87Å; V573-R582 PolarHBondContact O-N 2.77Å; D575-R582 IonicContact OD2-CZ 2.66Å; D575-R582 VanDerWaalsContact OD2-CZ 3.29Å; D575-R582 IonicContact OD2-NE 3.9Å; D575-R582 PolarHBondContact OD2-NE 2.87Å; D575-R582 IonicContact OD2-NH2 3.68Å; D575-R582 PolarHBondContact OD2-NH2 2.72Å; R582-Y584 HydrophobicContact CB-CD2 4.49Å; R582-Y584 HydrophobicContact CB-CE2 3.84Å; R582-Y584 WeakPolarHBondContact O-CD2 3.49Å
583	L	87	Confident	80.4	Confident	95 Å²	95	59.7 Å²	59.7	50%	0.497	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131	179.2	-169.7	74.5	0	0	0	110.6	T570 E572	T570-L583 HydrophobicContact CG2-CD1 4.23Å; E572-L583 HydrophobicContact CG-CD1 3.67Å
584	Y	81.4	Confident	79.6	Confident	82 Å²	82	60.2 Å²	60.2	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	157.2	174.1	-73.4	-98.2	0	0	0	111.5	I571 V573 R582	I571-Y584 PolarHBondContact O-N 3.42Å; V573-Y584 HydrophobicContact CB-CD2 4.15Å; V573-Y584 HydrophobicContact CB-CE2 3.82Å; V573-Y584 HydrophobicContact CG2-CD2 3.6Å; V573-Y584 HydrophobicContact CG2-CE2 3.63Å; V573-Y584 HydrophobicContact CG2-CG 4.49Å; R582-Y584 HydrophobicContact CB-CD2 4.49Å; R582-Y584 HydrophobicContact CB-CE2 3.84Å; R582-Y584 WeakPolarHBondContact O-CD2 3.49Å
585	G	67.2	Low	79.3	Confident	54 Å²	54	60.1 Å²	60.1	56%	0.557	33%	0.328	S	S	*	.			trans	-50.8	148.4	168.1	0	0	0	0	0	111.7
586	G	72.2	Confident	79.7	Confident	24 Å²	24	60 Å²	60	25%	0.247	33%	0.328	C	S	.	.			trans	-108	171	-161.5	0	0	0	0	0	115.7	K569	K569-G586 CarbonylContact O-C 3.57Å; K569-G586 WeakPolarHBondContact O-CA 3.49Å
587	M	78.3	Confident	80.1	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.015	32%	0.317	C	S	.	.			trans	-46.9	156.5	168.8	-66.5	174.4	-67.5	0	0	112.4	A322 W345 V559 K569 Y589 R591	A322-M587 HydrophobicContact CB-SD 3.79Å; W345-M587 HydrophobicContact CD2-CB 4.35Å; W345-M587 HydrophobicContact CD2-CG 3.77Å; W345-M587 HydrophobicContact CE3-CG 3.87Å; W345-M587 HydrophobicContact CH2-CG 3.41Å; W345-M587 VanDerWaalsContact CH2-CG 3.41Å; W345-M587 HydrophobicContact CH2-SD 3.86Å; W345-M587 HydrophobicContact CZ2-CG 3.37Å; W345-M587 HydrophobicContact CZ2-SD 4.28Å; W345-M587 HydrophobicContact CZ3-CG 3.7Å; W345-M587 HydrophobicContact CZ3-SD 4.24Å; V559-M587 HydrophobicContact CG1-CE 3.8Å; V559-M587 HydrophobicContact CG1-CG 4.48Å; V559-M587 HydrophobicContact CG1-SD 3.63Å; K569-M587 HydrophobicContact CB-CB 4.42Å; K569-M587 WeakPolarHBondContact CD-O 3.21Å; K569-M587 PolarHBondContact O-N 3.05Å; M587-Y589 VanDerWaalsContact C-N 3.29Å; M587-Y589 VanDerWaalsContact CB-O 3.29Å; M587-Y589 WeakPolarHBondContact CB-O 3.26Å; M587-Y589 PolarHBondContact O-N 3.12Å; M587-R591 HydrophobicContact CE-CB 4.35Å; M587-R591 HydrophobicContact CE-CG 4.47Å; M587-R591 HydrophobicContact SD-CG 4.36Å
588	N	74.9	Confident	80.7	Confident	93 Å²	93	52.5 Å²	52.5	50%	0.497	29%	0.288	S	S	.	.	S	Bend	trans	-65.3	-36.2	172.8	-62.8	-59.8	0	0	0	111	E336 W345	E336-N588 WeakPolarHBondContact OE2-CA 3.27Å; E336-N588 VanDerWaalsContact OE2-CB 3.29Å; E336-N588 WeakPolarHBondContact OE2-CB 3.47Å; E336-N588 PolarHBondContact OE2-N 2.95Å; E336-N588 PolarHBondContact OE2-ND2 2.99Å; W345-N588 PolarHBondContact O-ND2 3.08Å
589	Y	70.4	Confident	81.1	Confident	119 Å²	119	50.2 Å²	50.2	47%	0.467	27%	0.269	S	S	.	.	S	Bend	trans	-111.2	151.4	177.3	-67.6	-89.5	0	0	0	113.1	E336 M347 M587	E336-Y589 PolarHBondContact OE1-N 2.97Å; M347-Y589 HydrophobicContact CE-CE2 4.05Å; M347-Y589 HydrophobicContact SD-CD2 3.94Å; M347-Y589 HydrophobicContact SD-CE2 3.71Å; M587-Y589 VanDerWaalsContact C-N 3.29Å; M587-Y589 VanDerWaalsContact CB-O 3.29Å; M587-Y589 WeakPolarHBondContact CB-O 3.26Å; M587-Y589 PolarHBondContact O-N 3.12Å
590	R	75.8	Confident	81.1	Confident	126 Å²	126	52.8 Å²	52.8	48%	0.475	28%	0.276	S	S	.	.			trans	-80.3	131.4	169.9	-61.5	171.8	179.9	-171.4	1.2	108.4	C327 Y567 K569	C327-R590 WeakPolarHBondContact CB-O 3.5Å; Y567-R590 WeakPolarHBondContact O-CD 3.44Å; Y567-R590 VanDerWaalsContact O-CG 3.28Å; Y567-R590 WeakPolarHBondContact O-CG 3.31Å; K569-R590 HydrophobicContact CB-CG 4.23Å
591	R	76.2	Confident	80.1	Confident	9 Å²	9	51 Å²	51	3%	0.034	26%	0.263	C	S	.	.			trans	-132.8	120	-175.1	-59.2	-178.9	178.3	-97.6	-2.9	111	G324 I332 S334 E336 G561 M587	G324-R591 PolarHBondContact O-NH1 3.45Å; I332-R591 HydrophobicContact CD1-CG 4.14Å; S334-R591 PolarHBondContact O-NH1 3.46Å; S334-R591 PolarHBondContact O-NH2 3.33Å; S334-R591 PolarHBondContact OG-NH2 2.81Å; E336-R591 IonicContact OE1-CZ 2.68Å; E336-R591 IonicContact OE1-NE 3.55Å; E336-R591 PolarHBondContact OE1-NE 3.34Å; E336-R591 IonicContact OE1-NH2 2.82Å; E336-R591 PolarHBondContact OE1-NH2 3.47Å; G561-R591 PolarHBondContact N-O 3Å; M587-R591 HydrophobicContact CE-CB 4.35Å; M587-R591 HydrophobicContact CE-CG 4.47Å; M587-R591 HydrophobicContact SD-CG 4.36Å
592	L	74.3	Confident	78.1	Confident	41 Å²	41	53.5 Å²	53.5	22%	0.215	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-104.3	132.1	163	171.5	73	0	0	0	110	G325 W326 S545 F562 Y567 G594	G325-L592 CarbonylContact C-O 3.58Å; G325-L592 VanDerWaalsContact CA-O 3.28Å; G325-L592 WeakPolarHBondContact CA-O 3.39Å; W326-L592 HydrophobicContact CB-CB 4.45Å; W326-L592 PolarHBondContact N-O 2.82Å; W326-L592 PolarHBondContact O-N 2.57Å; S545-L592 WeakPolarHBondContact O-CD1 3.43Å; F562-L592 HydrophobicContact CB-CD1 3.73Å; Y567-L592 HydrophobicContact CD1-CB 3.64Å; Y567-L592 HydrophobicContact CD1-CD2 4.46Å; Y567-L592 HydrophobicContact CE1-CB 3.7Å; Y567-L592 HydrophobicContact CE1-CD2 3.75Å; Y567-L592 HydrophobicContact CE1-CG 4.31Å; L592-G594 PolarHBondContact O-N 3.45Å
593	G	62.9	Low	76.1	Confident	22 Å²	22	52.8 Å²	52.8	23%	0.227	28%	0.283	C	S	.	.	S	Bend	trans	63.5	26.6	170.9	0	0	0	0	0	113.6	G357 G546	G357-G593 WeakPolarHBondContact CA-O 3.46Å; G357-G593 PolarHBondContact N-O 3.08Å; G546-G593 PolarHBondContact O-N 2.89Å
594	G	78	Confident	73.9	Confident	18 Å²	18	51 Å²	51	19%	0.186	28%	0.278	C	S	.	.			trans	-77.8	159.1	160.7	0	0	0	0	0	109.8	V323 L592	V323-G594 CarbonylContact O-C 3.56Å; V323-G594 VanDerWaalsContact O-CA 3.24Å; V323-G594 WeakPolarHBondContact O-CA 3.39Å; L592-G594 PolarHBondContact O-N 3.45Å
595	G	86.7	Confident	72.3	Confident	10 Å²	10	49.5 Å²	49.5	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	156.7	172.6	0	0	0	0	0	111.2	V323	V323-G595 PolarHBondContact N-O 3.47Å; V323-G595 PolarHBondContact O-N 3.2Å
596	V	92.2	Very high	70.8	Confident	27 Å²	27	49.8 Å²	49.8	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.7	172	-67.7	0	0	0	0	110.5	L320 F321 A550 V559	L320-V596 HydrophobicContact CD1-CB 4.2Å; L320-V596 HydrophobicContact CD1-CG1 4.48Å; F321-V596 VanDerWaalsContact O-CA 3.24Å; F321-V596 WeakPolarHBondContact O-CA 3.45Å; A550-V596 HydrophobicContact CB-CG2 4.08Å; V559-V596 HydrophobicContact CB-CG1 4.28Å
597	G	89.6	Confident	69.1	Low	4 Å²	4	53.8 Å²	53.8	4%	0.041	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.9	173.8	0	0	0	0	0	110.9	F321	F321-G597 PolarHBondContact N-O 3.36Å; F321-G597 PolarHBondContact O-N 2.93Å
598	V	90.8	Very high	67	Low	37 Å²	37	57.4 Å²	57.4	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.3	-177.9	-178.9	0	0	0	0	109.2	E318 V319 L320 V362 A550 V552	E318-V598 HydrophobicContact CB-CG1 3.58Å; E318-V598 HydrophobicContact CG-CG1 3.85Å; V319-V598 WeakPolarHBondContact O-CA 3.47Å; L320-V598 HydrophobicContact CD1-CG2 4.05Å; V362-V598 WeakPolarHBondContact CG2-O 3.23Å; A550-V598 HydrophobicContact CB-CG2 3.6Å; V552-V598 HydrophobicContact CG2-CG2 3.96Å
599	I	88.5	Confident	65.3	Low	4 Å²	4	61.3 Å²	61.3	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128	180	-55.5	-179.8	0	0	0	107.5	E318 V319 F321 V362 L367 P387 M601	E318-I599 WeakPolarHBondContact CA-O 3.26Å; V319-I599 HydrophobicContact CG2-CB 4.38Å; V319-I599 PolarHBondContact N-O 2.73Å; V319-I599 PolarHBondContact O-N 3.19Å; F321-I599 HydrophobicContact CD2-CD1 3.81Å; F321-I599 HydrophobicContact CD2-CG1 4.03Å; F321-I599 HydrophobicContact CE2-CB 4.1Å; F321-I599 HydrophobicContact CE2-CD1 3.46Å; F321-I599 VanDerWaalsContact CE2-CD1 3.46Å; F321-I599 HydrophobicContact CE2-CG1 3.89Å; F321-I599 HydrophobicContact CZ-CD1 4.22Å; V362-I599 HydrophobicContact CG1-CG1 4.03Å; V362-I599 HydrophobicContact CG2-CG1 3.79Å; L367-I599 HydrophobicContact CB-CD1 4.07Å; P387-I599 HydrophobicContact CB-CD1 4.46Å; P387-I599 HydrophobicContact CG-CD1 3.24Å; P387-I599 HydrophobicContact CG-CG2 4.21Å; I599-M601 PolarHBondContact O-N 3.41Å
600	K	81.1	Confident	65	Low	134 Å²	134	58.4 Å²	58.4	58%	0.583	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	112.6	170	-170.5	175.2	-176.1	176.2	0	107.9	E318	E318-K600 HydrophobicContact CG-CB 4.39Å
601	M	69.7	Low	64.5	Low	22 Å²	22	54.8 Å²	54.8	11%	0.108	29%	0.288	C	S	.	.			trans	-65.7	145	173.1	-69.2	-65.6	-178.1	0	0	108.8	C316 G317 V319 F321 P387 I599	C316-M601 WeakPolarHBondContact CB-O 3.11Å; G317-M601 PolarHBondContact O-N 3.19Å; V319-M601 HydrophobicContact CB-CE 4.4Å; V319-M601 HydrophobicContact CG1-CE 4.26Å; V319-M601 HydrophobicContact CG1-CG 3.95Å; V319-M601 HydrophobicContact CG2-CE 3.33Å; V319-M601 HydrophobicContact CG2-CG 4Å; V319-M601 HydrophobicContact CG2-SD 4.38Å; F321-M601 HydrophobicContact CE2-CE 4.48Å; F321-M601 HydrophobicContact CZ-CE 4.28Å; P387-M601 HydrophobicContact CB-CE 4.1Å; I599-M601 PolarHBondContact O-N 3.41Å
602	T	52.6	Low	63.8	Low	71 Å²	71	57.4 Å²	57.4	44%	0.436	30%	0.302	S	S	.	.	S	Bend	trans	-105.1	-7.7	174.3	58.2	0	0	0	0	112.3
603	H	48.9	Very low	63.2	Low	114 Å²	114	58.4 Å²	58.4	53%	0.528	31%	0.308	S	S	.	.	S	Bend	trans	-142.6	144.8	-178.7	-59.8	-61.6	0	0	0	110.8	E605	H603-E605 PolarHBondContact O-N 3.39Å
604	C	40.7	Very low	63.2	Low	58 Å²	58	60.6 Å²	60.6	39%	0.392	31%	0.313	S	S	.	.			trans	-74	101.4	165.7	-135.3	0	0	0	0	107	P313 S606	P313-C604 HydrophobicContact CG-CB 4.05Å; C604-S606 PolarHBondContact O-N 2.86Å
605	E	46.8	Very low	62.2	Low	50 Å²	50	63.5 Å²	63.5	23%	0.234	32%	0.321	C	S	.	.			trans	-77.7	86.3	179.1	-71.7	-178.5	165.5	0	0	110	R337 H603 H607 I608	R337-E605 IonicContact NH1-OE2 2.82Å; H603-E605 PolarHBondContact O-N 3.39Å; E605-H607 VanDerWaalsContact C-N 3.28Å; E605-I608 HydrophobicContact CG-CB 4.45Å; E605-I608 HydrophobicContact CG-CD1 4.15Å; E605-I608 HydrophobicContact CG-CG1 4.22Å
606	S	36	Very low	60.5	Low	60 Å²	60	67.3 Å²	67.3	42%	0.42	34%	0.337	S	S	.	.	S	Bend	trans	-82.7	-6	164.1	63.6	0	0	0	0	112.8	C604	C604-S606 PolarHBondContact O-N 2.86Å
607	H	35.9	Very low	58	Low	107 Å²	107	70.4 Å²	70.4	50%	0.495	35%	0.35	S	S	.	.	S	Bend	trans	-134.8	14.7	-167.6	-67.9	-54.3	0	0	0	116.3	L261 E605	L261-H607 PolarHBondContact O-NE2 3.33Å; E605-H607 VanDerWaalsContact C-N 3.28Å
608	I	34.8	Very low	55.4	Low	79 Å²	79	75.9 Å²	75.9	41%	0.405	38%	0.376	S	S	.	.			trans	-112.9	-21	178.5	-45.3	-169.8	0	0	0	113.6	E605	E605-I608 HydrophobicContact CG-CB 4.45Å; E605-I608 HydrophobicContact CG-CD1 4.15Å; E605-I608 HydrophobicContact CG-CG1 4.22Å
609	W	39.1	Very low	52.2	Low	175 Å²	175	79.5 Å²	79.5	66%	0.663	39%	0.389	S	S	*	.			trans	-142.3	0	-178.4	-52.1	103.1	0	0	0	114.3	T389 N390	T389-W609 WeakPolarHBondContact O-CH2 3.47Å; N390-W609 HydrophobicContact CB-CD2 3.87Å; N390-W609 HydrophobicContact CB-CE3 3.94Å; N390-W609 HydrophobicContact CB-CH2 3.13Å; N390-W609 HydrophobicContact CB-CZ2 2.94Å; N390-W609 HydrophobicContact CB-CZ3 3.58Å; N390-W609 WeakPolarHBondContact ND2-CZ3 3.32Å

Retrieved 609 of 609 residues in 236 ms (Link to these results)

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