A0A096ME34_POEFO Loading...

Leucine rich repeats and guanylate kinase domain containing

AlphaFold DB , UniProt , Accession A0A096ME34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 732 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	38.1	Very low	33.2	Very low	210 Å²	210	163.5 Å²	163.5	100%	1.034	80%	0.796	S	S	*	*				0	81.5	0	-55.6	-173.9	-61.5	0	0	106.6
2	E	31.7	Very low	32.6	Very low	170 Å²	170	156.7 Å²	156.7	79%	0.794	78%	0.777	S	S	*	*			cis	59	134.1	23.2	-51.3	153	139.1	0	0	110.8
3	D	33.8	Very low	32.1	Very low	147 Å²	147	156.8 Å²	156.8	79%	0.786	78%	0.78	S	S	*	*			cis	-114.3	167	11.6	-48.4	-66.1	0	0	0	111.6
4	E	38.4	Very low	32.8	Very low	161 Å²	161	152.4 Å²	152.4	75%	0.752	77%	0.769	S	S	*	*			cis	69.1	143.8	29.7	-83.5	-162.4	-168.4	0	0	114.8
5	L	38.8	Very low	32.4	Very low	123 Å²	123	153.8 Å²	153.8	64%	0.644	77%	0.771	S	S	*	*			cis	-142.3	-174.5	-13.6	-89.1	168.9	0	0	0	105.8
6	Q	33.3	Very low	32.2	Very low	135 Å²	135	154.9 Å²	154.9	63%	0.631	77%	0.773	S	S	*	*			cis	-156.8	156.4	2.1	-129.8	162.7	12.6	0	0	104.7
7	E	35.4	Very low	31.8	Very low	162 Å²	162	152.2 Å²	152.2	76%	0.757	77%	0.772	S	S	*	*			cis	74.7	111.7	28.9	-173	-162.9	-96.5	0	0	115.6
8	Q	29.3	Very low	31.6	Very low	182 Å²	182	149.4 Å²	149.4	85%	0.85	78%	0.776	S	S	*	*			trans	-168.3	124.9	157.1	-119.3	162.5	88	0	0	114.7
9	Q	29.3	Very low	31.4	Very low	185 Å²	185	151.4 Å²	151.4	86%	0.864	78%	0.782	S	S	*	*			trans	-166.3	120.4	170.2	176.8	-172.3	52.9	0	0	109
10	L	30.4	Very low	32.2	Very low	162 Å²	162	149.3 Å²	149.3	85%	0.848	78%	0.778	S	S	*	*			trans	176.3	161.3	157.9	-107.7	161.1	0	0	0	116.3
11	M	26.4	Very low	32	Very low	161 Å²	161	147.9 Å²	147.9	79%	0.793	78%	0.781	S	S	*	*			trans	77.1	162.6	164.6	-61.5	-53.2	-72.1	0	0	120.5
12	S	27	Very low	31.5	Very low	82 Å²	82	144 Å²	144	57%	0.573	76%	0.764	S	S	*	*			trans	-170.2	153.7	-139.5	55.1	0	0	0	0	115.2
13	I	25.9	Very low	31.2	Very low	158 Å²	158	143.8 Å²	143.8	81%	0.81	76%	0.763	S	S	*	*			trans	71.8	155.5	152.9	-67.4	160.5	0	0	0	115.4
14	P	42	Very low	31.6	Very low	96 Å²	96	141.9 Å²	141.9	62%	0.623	76%	0.759	S	S	*	*			cis	-131	171.9	-1.4	30.8	-8.2	0	0	0	118.8
15	E	26.9	Very low	31	Very low	173 Å²	173	142.6 Å²	142.6	81%	0.808	76%	0.762	S	S	*	*			trans	76.2	145.2	132.5	-77.2	158.3	-179.4	0	0	128.9
16	E	28.1	Very low	30.4	Very low	171 Å²	171	141.9 Å²	141.9	80%	0.799	76%	0.763	S	S	*	*			trans	76.2	94.6	146.1	-77.7	-169	154.9	0	0	125.9
17	S	25.2	Very low	30.1	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	77%	0.771	S	S	*	*				65.8	127.2	119.1	73.7	0	0	0	0	123.7
18	A	28.7	Very low	29.6	Very low	102 Å²	102	143.6 Å²	143.6	84%	0.843	77%	0.772	S	S	*	*			trans	-175.4	124.9	130.5	0	0	0	0	0	113.3
19	E	27.2	Very low	29.4	Very low	188 Å²	188	140.5 Å²	140.5	88%	0.879	77%	0.766	S	S	*	*			trans	-116.1	-170.3	158.7	-50.3	-171.9	135.9	0	0	108.3
20	P	48.5	Very low	29.6	Very low	108 Å²	108	139.2 Å²	139.2	70%	0.701	76%	0.76	S	S	*	*			cis	-131.8	-176.4	-14.5	40.5	-24.2	0	0	0	113.7
21	S	27.4	Very low	29.6	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	76%	0.763	S	S	*	*			trans	-160.1	145.1	145.1	50.6	0	0	0	0	112.5
22	D	27.8	Very low	29.8	Very low	127 Å²	127	141.8 Å²	141.8	68%	0.679	77%	0.766	S	S	*	*			trans	-95.5	138	-164.4	-81.1	-67.4	0	0	0	116.1
23	Q	26.2	Very low	30	Very low	167 Å²	167	146.8 Å²	146.8	78%	0.78	78%	0.78	S	S	*	*				44.6	166.8	117.9	-54.1	-172.9	59.4	0	0	121.7
24	P	41.3	Very low	30.2	Very low	107 Å²	107	147.7 Å²	147.7	70%	0.695	78%	0.781	S	S	*	*			cis	-132.4	-168.1	1.2	32.3	-9.5	0	0	0	116.2
25	E	25	Very low	29.8	Very low	175 Å²	175	150.6 Å²	150.6	82%	0.818	79%	0.79	S	S	*	*			trans	97.3	127.7	157.4	-58.8	-133.1	97.6	0	0	117.5
26	T	27.4	Very low	30.1	Very low	108 Å²	108	148.9 Å²	148.9	66%	0.663	78%	0.784	S	S	*	*			cis	-147.1	136.2	-7.4	50.3	0	0	0	0	114.3
27	L	26.3	Very low	30.5	Very low	151 Å²	151	149.1 Å²	149.1	79%	0.791	79%	0.786	S	S	*	*			trans	31.9	118.3	139.9	-75.2	163.4	0	0	0	122.8
28	K	25.3	Very low	31.5	Very low	182 Å²	182	149.4 Å²	149.4	79%	0.791	78%	0.783	S	S	*	*			trans	77.3	147.3	150.9	-55.8	-174.8	179.5	-165.3	0	117.5
29	T	25.9	Very low	32.6	Very low	117 Å²	117	151.5 Å²	151.5	72%	0.718	78%	0.775	S	S	*	*			cis	-137.6	170.4	16.8	-36.6	0	0	0	0	112.1
30	E	33.4	Very low	34.3	Very low	158 Å²	158	151.4 Å²	151.4	74%	0.738	78%	0.775	S	S	*	*			trans	-57.8	131	-177.8	-56.4	100.8	-136.4	0	0	115.2
31	E	30	Very low	35.3	Very low	195 Å²	195	147.1 Å²	147.1	91%	0.911	75%	0.75	S	S	*	*			trans	-131.3	121.4	138.5	-71.2	-172.9	155.9	0	0	106.2
32	Q	31	Very low	38	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	72%	0.722	S	S	*	*			trans	-106.5	109.4	174.4	-71.4	-171.4	-64.6	0	0	108.3	E34	Q32-E34 PolarHBondContact O-N 3.48Å; Q32-E34 VanDerWaalsContact O-N 3.1Å
33	E	30.6	Very low	40.7	Very low	188 Å²	188	137.8 Å²	137.8	88%	0.879	69%	0.692	S	S	*	*			trans	-70.8	98.7	169.1	-64.7	179.4	135.3	0	0	108.5	I35	E33-I35 PolarHBondContact O-N 3Å; E33-I35 VanDerWaalsContact O-N 3.14Å
34	E	29.8	Very low	43.4	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.822	67%	0.671	S	S	*	*			trans	-67.7	108.6	165.5	-75.2	-168	138.3	0	0	108.5	Q32 I36	Q32-E34 PolarHBondContact O-N 3.48Å; Q32-E34 VanDerWaalsContact O-N 3.1Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.3Å
35	I	33	Very low	45.3	Very low	158 Å²	158	132.3 Å²	132.3	81%	0.81	66%	0.661	S	S	*	*			trans	-69.5	95.3	171.8	-58.8	174.1	0	0	0	107.2	E33 E37	E33-I35 PolarHBondContact O-N 3Å; E33-I35 VanDerWaalsContact O-N 3.14Å; I35-E37 PolarHBondContact O-N 3.37Å
36	I	34.9	Very low	47.9	Very low	136 Å²	136	131.3 Å²	131.3	70%	0.697	66%	0.656	S	S	*	*			trans	-71	109.4	170.4	-59.4	176.1	0	0	0	107.3	E34 V38	E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.3Å; I36-V38 PolarHBondContact O-N 3.07Å
37	E	36.3	Very low	50.4	Low	176 Å²	176	128.5 Å²	128.5	82%	0.822	64%	0.636	S	S	*	*			trans	-63.5	103.1	163.3	-67.3	-176.1	146.6	0	0	107.7	I35 E39	I35-E37 PolarHBondContact O-N 3.37Å; E37-E39 PolarHBondContact O-N 3.42Å; E37-E39 VanDerWaalsContact O-N 3.16Å
38	V	44.8	Very low	53	Low	116 Å²	116	121.3 Å²	121.3	70%	0.703	60%	0.599	S	S	*	*			trans	-71.9	107.3	175.6	-179.9	0	0	0	0	107.7	I36 E40	I36-V38 PolarHBondContact O-N 3.07Å; V38-E40 PolarHBondContact O-N 2.89Å
39	E	53.5	Low	55.5	Low	145 Å²	145	116.4 Å²	116.4	68%	0.678	59%	0.587	S	S	*	*			trans	-61.5	103	176.4	-65.3	-172.2	136.3	0	0	110.2	E37 G41 V42	E37-E39 PolarHBondContact O-N 3.42Å; E37-E39 VanDerWaalsContact O-N 3.16Å; E39-G41 PolarHBondContact O-N 3.25Å; E39-V42 HydrophobicContact CB-CB 4.1Å; E39-V42 HydrophobicContact CB-CG2 3.58Å; E39-V42 PolarHBondContact O-N 3.24Å; E39-V42 VanDerWaalsContact O-N 3.15Å
40	E	62.6	Low	58.1	Low	187 Å²	187	119 Å²	119	87%	0.874	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	122.8	-177.8	-64.4	-172.7	151.2	0	0	111	V38	V38-E40 PolarHBondContact O-N 2.89Å
41	G	68.3	Low	60.1	Low	17 Å²	17	112.1 Å²	112.1	18%	0.175	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	85.5	8.3	179.2	0	0	0	0	0	116.2	E39 S75 I77 N78	E39-G41 PolarHBondContact O-N 3.25Å; G41-S75 WeakPolarHBondContact CA-O 3.26Å; G41-I77 PolarHBondContact O-N 2.95Å; G41-N78 PolarHBondContact O-N 3.25Å; G41-N78 VanDerWaalsContact O-N 3.11Å
42	V	83.8	Confident	62.7	Low	45 Å²	45	104.3 Å²	104.3	27%	0.273	53%	0.527	S	S	.	.	B	Isolated β-bridge	trans	-92.2	130.3	172.9	-178.8	0	0	0	0	111.4	E39 T44 N78	E39-V42 HydrophobicContact CB-CB 4.1Å; E39-V42 HydrophobicContact CB-CG2 3.58Å; E39-V42 PolarHBondContact O-N 3.24Å; E39-V42 VanDerWaalsContact O-N 3.15Å; V42-T44 PolarHBondContact O-N 3.11Å; V42-N78 HydrophobicContact CG2-CB 4.36Å
43	L	84.4	Confident	65	Low	7 Å²	7	98.2 Å²	98.2	4%	0.037	50%	0.504	C	S	.	.			trans	-72.2	115.8	-179.9	-177.8	59.3	0	0	0	112.3	M47 V48 L71 L76 N78 I79 L81 L82	L43-M47 HydrophobicContact CD1-CB 4.04Å; L43-V48 HydrophobicContact CD1-CG2 3.71Å; L43-V48 HydrophobicContact CD2-CG2 3.79Å; L43-V48 HydrophobicContact CG-CG2 3.71Å; L43-L71 HydrophobicContact CD1-CD1 3.63Å; L43-L71 HydrophobicContact CD2-CD1 4.26Å; L43-L76 HydrophobicContact CB-CD2 3.95Å; L43-L76 HydrophobicContact CD1-CD1 4.01Å; L43-L76 HydrophobicContact CD1-CD2 4.1Å; L43-N78 VanDerWaalsContact CB-O 3.32Å; L43-N78 WeakPolarHBondContact CB-O 3.26Å; L43-N78 PolarHBondContact N-O 3.49Å; L43-N78 VanDerWaalsContact N-O 3.09Å; L43-I79 HydrophobicContact CD2-CB 4.43Å; L43-I79 HydrophobicContact CD2-CG2 4.42Å; L43-L81 HydrophobicContact CD2-CB 4.4Å; L43-L81 HydrophobicContact CG-CB 4.43Å; L43-L81 HydrophobicContact CG-CD2 4.33Å; L43-L81 WeakPolarHBondContact O-CD2 3.39Å; L43-L82 HydrophobicContact CD2-CD2 3.64Å; L43-L82 HydrophobicContact CD2-CG 3.8Å
44	T	84.4	Confident	66.9	Low	57 Å²	57	94.8 Å²	94.8	35%	0.35	49%	0.488	S	S	.	.			trans	-92.2	162	177.8	75.9	0	0	0	0	113.1	V42 E46 M47 V48	V42-T44 PolarHBondContact O-N 3.11Å; T44-E46 VanDerWaalsContact C-N 3.27Å; T44-E46 PolarHBondContact O-N 3.02Å; T44-M47 HydrophobicContact CG2-SD 4.11Å; T44-M47 PolarHBondContact O-N 3.04Å; T44-M47 VanDerWaalsContact OG1-CG 3.31Å; T44-M47 WeakPolarHBondContact OG1-CG 3.29Å; T44-M47 PolarHBondContact OG1-N 2.85Å; T44-V48 WeakPolarHBondContact O-CG2 3.38Å; T44-V48 PolarHBondContact O-N 3.03Å
45	E	80.2	Confident	68.9	Low	103 Å²	103	91.4 Å²	91.4	48%	0.481	48%	0.475	S	S	.	.	H	α-helix	trans	-67.3	-28.1	176.6	-72.1	-173.9	174	0	0	112.8	S49 L81 K84	E45-S49 WeakPolarHBondContact O-CB 3.4Å; E45-S49 PolarHBondContact O-N 3.23Å; E45-L81 HydrophobicContact CB-CD2 4.42Å; E45-L81 HydrophobicContact CG-CD1 3.96Å; E45-L81 HydrophobicContact CG-CD2 3.67Å; E45-L81 HydrophobicContact CG-CG 4.38Å; E45-K84 IonicContact OE1-NZ 3.43Å; E45-K84 PolarHBondContact OE1-NZ 2.95Å
46	E	79.3	Confident	70.6	Confident	153 Å²	153	84.6 Å²	84.6	72%	0.715	44%	0.444	S	S	*	.	H	α-helix	trans	-67.3	-49.5	175.3	-61.6	-175.4	155.2	0	0	110.8	T44 V48 S49 E50	T44-E46 VanDerWaalsContact C-N 3.27Å; T44-E46 PolarHBondContact O-N 3.02Å; E46-V48 VanDerWaalsContact C-N 3.3Å; E46-V48 PolarHBondContact O-N 2.94Å; E46-S49 WeakPolarHBondContact O-CA 3.25Å; E46-S49 WeakPolarHBondContact O-CB 3.44Å; E46-S49 PolarHBondContact O-N 3.25Å; E46-S49 PolarHBondContact O-OG 3.48Å; E46-E50 PolarHBondContact O-N 2.82Å; E46-E50 VanDerWaalsContact O-N 3.08Å
47	M	80.6	Confident	72.1	Confident	50 Å²	50	82.9 Å²	82.9	25%	0.246	44%	0.436	C	S	.	.	H	α-helix	trans	-57.4	-42.4	176.2	-66.2	166.1	80.5	0	0	111.8	L43 T44 S49 E50 G51 L71 L74 L76	L43-M47 HydrophobicContact CD1-CB 4.04Å; T44-M47 HydrophobicContact CG2-SD 4.11Å; T44-M47 PolarHBondContact O-N 3.04Å; T44-M47 VanDerWaalsContact OG1-CG 3.31Å; T44-M47 WeakPolarHBondContact OG1-CG 3.29Å; T44-M47 PolarHBondContact OG1-N 2.85Å; M47-S49 VanDerWaalsContact C-N 3.33Å; M47-S49 PolarHBondContact O-N 2.95Å; M47-E50 PolarHBondContact O-N 3.13Å; M47-G51 PolarHBondContact O-N 3.07Å; M47-G51 VanDerWaalsContact O-N 3.09Å; M47-L71 WeakPolarHBondContact O-CD2 3.12Å; M47-L74 HydrophobicContact CE-CB 4.08Å; M47-L74 HydrophobicContact CE-CD1 3.74Å; M47-L74 HydrophobicContact CE-CG 4.42Å; M47-L76 HydrophobicContact CE-CD2 3.77Å; M47-L76 HydrophobicContact CE-CG 4.47Å
48	V	81.3	Confident	73.5	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-63.8	-39.2	174.5	178.5	0	0	0	0	111.2	L43 T44 E46 E50 G51 L52 L69 L81 Y85	L43-V48 HydrophobicContact CD1-CG2 3.71Å; L43-V48 HydrophobicContact CD2-CG2 3.79Å; L43-V48 HydrophobicContact CG-CG2 3.71Å; T44-V48 WeakPolarHBondContact O-CG2 3.38Å; T44-V48 PolarHBondContact O-N 3.03Å; E46-V48 VanDerWaalsContact C-N 3.3Å; E46-V48 PolarHBondContact O-N 2.94Å; V48-E50 VanDerWaalsContact C-N 3.3Å; V48-E50 PolarHBondContact O-N 3.48Å; V48-G51 PolarHBondContact O-N 2.84Å; V48-L52 HydrophobicContact CG1-CD1 3.77Å; V48-L52 HydrophobicContact CG1-CG 3.86Å; V48-L52 WeakPolarHBondContact O-CB 3.44Å; V48-L52 WeakPolarHBondContact O-CG 3.49Å; V48-L52 PolarHBondContact O-N 3.24Å; V48-L69 HydrophobicContact CG1-CD1 4.25Å; V48-L69 HydrophobicContact CG1-CD2 4.16Å; V48-L81 HydrophobicContact CG2-CD2 4.11Å; V48-Y85 HydrophobicContact CG1-CD2 4.4Å; V48-Y85 HydrophobicContact CG1-CE1 3.95Å; V48-Y85 HydrophobicContact CG1-CE2 3.81Å
49	S	77	Confident	74.1	Confident	78 Å²	78	75.6 Å²	75.6	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-64.3	-31.8	178.7	81.2	0	0	0	0	113.6	E45 E46 M47	E45-S49 WeakPolarHBondContact O-CB 3.4Å; E45-S49 PolarHBondContact O-N 3.23Å; E46-S49 WeakPolarHBondContact O-CA 3.25Å; E46-S49 WeakPolarHBondContact O-CB 3.44Å; E46-S49 PolarHBondContact O-N 3.25Å; E46-S49 PolarHBondContact O-OG 3.48Å; M47-S49 VanDerWaalsContact C-N 3.33Å; M47-S49 PolarHBondContact O-N 2.95Å
50	E	80.1	Confident	74.6	Confident	172 Å²	172	72.7 Å²	72.7	80%	0.804	39%	0.39	S	S	*	.	H	α-helix	trans	-77	-38.5	175.3	-64.4	-170.3	150	0	0	112.6	E46 M47 V48	E46-E50 PolarHBondContact O-N 2.82Å; E46-E50 VanDerWaalsContact O-N 3.08Å; M47-E50 PolarHBondContact O-N 3.13Å; V48-E50 VanDerWaalsContact C-N 3.3Å; V48-E50 PolarHBondContact O-N 3.48Å
51	G	76.7	Confident	74.8	Confident	13 Å²	13	66 Å²	66	13%	0.134	37%	0.371	C	S	.	.	H	α-helix	trans	-79.8	-15.2	179	0	0	0	0	0	115.2	M47 V48 L69 S70	M47-G51 PolarHBondContact O-N 3.07Å; M47-G51 VanDerWaalsContact O-N 3.09Å; V48-G51 PolarHBondContact O-N 2.84Å; G51-L69 VanDerWaalsContact C-CD1 3.42Å; G51-S70 WeakPolarHBondContact CA-O 3.4Å; G51-S70 PolarHBondContact O-N 2.93Å; G51-S70 VanDerWaalsContact O-N 3.11Å
52	L	83.5	Confident	74.2	Confident	31 Å²	31	72.1 Å²	72.1	16%	0.162	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.3	-179.7	-85.6	174.2	0	0	0	111.9	V48 L66 H68 L69 Y85 L88	V48-L52 HydrophobicContact CG1-CD1 3.77Å; V48-L52 HydrophobicContact CG1-CG 3.86Å; V48-L52 WeakPolarHBondContact O-CB 3.44Å; V48-L52 WeakPolarHBondContact O-CG 3.49Å; V48-L52 PolarHBondContact O-N 3.24Å; L52-L66 HydrophobicContact CB-CB 4.11Å; L52-L66 HydrophobicContact CB-CD1 3.84Å; L52-L66 HydrophobicContact CD1-CB 4.45Å; L52-L66 HydrophobicContact CD1-CD1 4.31Å; L52-L66 HydrophobicContact CD2-CB 3.95Å; L52-L66 HydrophobicContact CG-CB 4.4Å; L52-H68 WeakPolarHBondContact CA-O 3.37Å; L52-L69 HydrophobicContact CD2-CB 4.19Å; L52-L69 HydrophobicContact CD2-CD1 4.28Å; L52-L69 HydrophobicContact CG-CD1 4.15Å; L52-Y85 HydrophobicContact CD1-CD1 4.29Å; L52-Y85 HydrophobicContact CD1-CE1 3.85Å; L52-L88 HydrophobicContact CD2-CD2 3.83Å
53	S	79.4	Confident	73.2	Confident	55 Å²	55	75.8 Å²	75.8	39%	0.385	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	170.7	-179	64.1	0	0	0	0	112.4	C67 H68	S53-C67 PolarHBondContact O-N 2.81Å; S53-H68 PolarHBondContact N-O 3.43Å; S53-H68 PolarHBondContact O-N 3.4Å
54	H	71.4	Confident	72.4	Confident	116 Å²	116	81.6 Å²	81.6	54%	0.537	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.9	101.8	179.2	-166.7	70.5	0	0	0	115.4	G56 L66 C67 H68	H54-G56 PolarHBondContact O-N 3.12Å; H54-G56 VanDerWaalsContact O-N 3.16Å; H54-L66 WeakPolarHBondContact O-CA 3.45Å; H54-C67 PolarHBondContact O-N 3.12Å; H54-H68 HydrophobicContact CB-CB 4.21Å; H54-H68 VanDerWaalsContact CB-ND1 3.27Å; H54-H68 WeakPolarHBondContact CB-ND1 3.25Å; H54-H68 AromaticContact CD2-CE1 3.5Å; H54-H68 PolarHBondContact CD2-CE1 2.83Å; H54-H68 VanDerWaalsContact CD2-CE1 3.5Å; H54-H68 AromaticContact CD2-NE2 3.64Å; H54-H68 AromaticContact CG-CE1 3.55Å; H54-H68 AromaticContact CG-ND1 3.73Å
55	L	72.4	Confident	72	Confident	104 Å²	104	80.7 Å²	80.7	55%	0.545	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	97.9	179.4	-163.2	74.5	0	0	0	111.1	H64 L66	L55-H64 HydrophobicContact CD1-CB 3.89Å; L55-H64 HydrophobicContact CD2-CB 3.88Å; L55-H64 HydrophobicContact CG-CB 3.8Å; L55-L66 HydrophobicContact CB-CD2 4.29Å; L55-L66 HydrophobicContact CD1-CD2 3.89Å; L55-L66 HydrophobicContact CD1-CG 4.18Å
56	G	68.1	Low	71.7	Confident	16 Å²	16	79 Å²	79	17%	0.165	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-165.7	172.1	0	0	0	0	0	113.1	H54 H64 V65	H54-G56 PolarHBondContact O-N 3.12Å; H54-G56 VanDerWaalsContact O-N 3.16Å; G56-H64 WeakPolarHBondContact O-CA 3.28Å; G56-H64 PolarHBondContact O-ND1 3.19Å; G56-V65 PolarHBondContact N-O 2.84Å; G56-V65 PolarHBondContact O-N 3.09Å
57	L	65.8	Low	71.8	Confident	99 Å²	99	72.2 Å²	72.2	52%	0.518	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.1	163.8	-76.7	170.3	0	0	0	108.8	H63	L57-H63 CarbonylContact C-O 3.52Å; L57-H63 WeakPolarHBondContact CA-O 3.47Å
58	D	65.7	Low	72.1	Confident	23 Å²	23	72.4 Å²	72.4	12%	0.123	39%	0.394	C	S	.	.			trans	-68.6	173.7	173.9	86.8	-66.4	0	0	0	112.5	T60 G61 Q62 H63 V65	D58-T60 VanDerWaalsContact CG-OG1 3.26Å; D58-T60 PolarHBondContact O-N 2.9Å; D58-T60 VanDerWaalsContact O-N 3.14Å; D58-T60 PolarHBondContact OD1-OG1 3.08Å; D58-T60 VanDerWaalsContact OD1-OG1 3.13Å; D58-T60 WeakPolarHBondContact OD2-CA 3.26Å; D58-T60 VanDerWaalsContact OD2-CB 3.27Å; D58-T60 WeakPolarHBondContact OD2-CB 3.35Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.04Å; D58-T60 PolarHBondContact OD2-N 3.5Å; D58-T60 PolarHBondContact OD2-OG1 2.97Å; D58-G61 PolarHBondContact O-N 3.35Å; D58-G61 PolarHBondContact OD1-N 3.37Å; D58-Q62 PolarHBondContact OD1-N 3.03Å; D58-H63 HydrophobicContact CB-CB 4.28Å; D58-H63 PolarHBondContact N-O 2.61Å; D58-H63 PolarHBondContact OD1-N 2.9Å; D58-V65 HydrophobicContact CB-CG2 4Å
59	L	57.7	Low	72.4	Confident	117 Å²	117	72.4 Å²	72.4	61%	0.613	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.8	-178.6	-60.2	165	0	0	0	114	H109	L59-H109 VanDerWaalsContact CD1-NE2 3.31Å; L59-H109 WeakPolarHBondContact CD1-NE2 3.46Å
60	T	64.7	Low	73.1	Confident	83 Å²	83	70.6 Å²	70.6	51%	0.509	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-11.5	175.7	73.4	0	0	0	0	113.4	D58 Q62	D58-T60 VanDerWaalsContact CG-OG1 3.26Å; D58-T60 PolarHBondContact O-N 2.9Å; D58-T60 VanDerWaalsContact O-N 3.14Å; D58-T60 PolarHBondContact OD1-OG1 3.08Å; D58-T60 VanDerWaalsContact OD1-OG1 3.13Å; D58-T60 WeakPolarHBondContact OD2-CA 3.26Å; D58-T60 VanDerWaalsContact OD2-CB 3.27Å; D58-T60 WeakPolarHBondContact OD2-CB 3.35Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.04Å; D58-T60 PolarHBondContact OD2-N 3.5Å; D58-T60 PolarHBondContact OD2-OG1 2.97Å; T60-Q62 VanDerWaalsContact C-N 3.34Å; T60-Q62 WeakPolarHBondContact OG1-CB 3.11Å
61	G	65.3	Low	73.4	Confident	46 Å²	46	62.7 Å²	62.7	47%	0.474	34%	0.344	S	S	.	.	S	Bend	trans	72.7	20.2	-177.3	0	0	0	0	0	114.6	D58	D58-G61 PolarHBondContact O-N 3.35Å; D58-G61 PolarHBondContact OD1-N 3.37Å
62	Q	57.5	Low	74	Confident	146 Å²	146	64.4 Å²	64.4	68%	0.682	35%	0.353	S	S	*	.	S	Bend	trans	-114.9	-22.5	-170.7	-64.5	172.8	46.6	0	0	113.2	D58 T60	D58-Q62 PolarHBondContact OD1-N 3.03Å; T60-Q62 VanDerWaalsContact C-N 3.34Å; T60-Q62 WeakPolarHBondContact OG1-CB 3.11Å
63	H	61.5	Low	74.1	Confident	122 Å²	122	68.1 Å²	68.1	57%	0.565	37%	0.373	S	S	*	.	S	Bend	trans	-124.4	136.3	-176.5	-62.3	-61.3	0	0	0	111.3	L57 D58	L57-H63 CarbonylContact C-O 3.52Å; L57-H63 WeakPolarHBondContact CA-O 3.47Å; D58-H63 HydrophobicContact CB-CB 4.28Å; D58-H63 PolarHBondContact N-O 2.61Å; D58-H63 PolarHBondContact OD1-N 2.9Å
64	H	67.8	Low	74.5	Confident	129 Å²	129	69 Å²	69	60%	0.597	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.8	171.8	-81.3	-61.9	0	0	0	110.1	L55 G56	L55-H64 HydrophobicContact CD1-CB 3.89Å; L55-H64 HydrophobicContact CD2-CB 3.88Å; L55-H64 HydrophobicContact CG-CB 3.8Å; G56-H64 WeakPolarHBondContact O-CA 3.28Å; G56-H64 PolarHBondContact O-ND1 3.19Å
65	V	75.4	Confident	75.2	Confident	39 Å²	39	66.9 Å²	66.9	24%	0.236	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.1	-177.3	-168.2	0	0	0	0	109.2	G56 D58 C67 H87	G56-V65 PolarHBondContact N-O 2.84Å; G56-V65 PolarHBondContact O-N 3.09Å; D58-V65 HydrophobicContact CB-CG2 4Å; V65-C67 PolarHBondContact O-N 3.14Å; V65-H87 HydrophobicContact CB-CB 4.35Å; V65-H87 HydrophobicContact CG1-CB 3.8Å
66	L	74.2	Confident	75.9	Confident	68 Å²	68	62 Å²	62	36%	0.356	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.3	175	-66.4	166.4	0	0	0	108.7	L52 H54 L55	L52-L66 HydrophobicContact CB-CB 4.11Å; L52-L66 HydrophobicContact CB-CD1 3.84Å; L52-L66 HydrophobicContact CD1-CB 4.45Å; L52-L66 HydrophobicContact CD1-CD1 4.31Å; L52-L66 HydrophobicContact CD2-CB 3.95Å; L52-L66 HydrophobicContact CG-CB 4.4Å; H54-L66 WeakPolarHBondContact O-CA 3.45Å; L55-L66 HydrophobicContact CB-CD2 4.29Å; L55-L66 HydrophobicContact CD1-CD2 3.89Å; L55-L66 HydrophobicContact CD1-CG 4.18Å
67	C	80.9	Confident	76.7	Confident	10 Å²	10	65.8 Å²	65.8	7%	0.068	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-11.7	-167.1	-74	0	0	0	0	114.1	S53 H54 V65 H87 V89 K90	S53-C67 PolarHBondContact O-N 2.81Å; H54-C67 PolarHBondContact O-N 3.12Å; V65-C67 PolarHBondContact O-N 3.14Å; C67-H87 PolarHBondContact SG-O 2.95Å; C67-H87 VanDerWaalsContact SG-O 3.41Å; C67-V89 HydrophobicContact CB-CB 4.25Å; C67-V89 HydrophobicContact CB-CG2 4.02Å; C67-V89 PolarHBondContact O-N 3.3Å; C67-K90 PolarHBondContact O-N 3.42Å; C67-K90 VanDerWaalsContact O-N 3.16Å
68	H	87.6	Confident	77.6	Confident	54 Å²	54	64.8 Å²	64.8	25%	0.25	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.6	176.1	-57.9	167.9	0	0	0	109.9	L52 S53 H54 K90	L52-H68 WeakPolarHBondContact CA-O 3.37Å; S53-H68 PolarHBondContact N-O 3.43Å; S53-H68 PolarHBondContact O-N 3.4Å; H54-H68 HydrophobicContact CB-CB 4.21Å; H54-H68 VanDerWaalsContact CB-ND1 3.27Å; H54-H68 WeakPolarHBondContact CB-ND1 3.25Å; H54-H68 AromaticContact CD2-CE1 3.5Å; H54-H68 PolarHBondContact CD2-CE1 2.83Å; H54-H68 VanDerWaalsContact CD2-CE1 3.5Å; H54-H68 AromaticContact CD2-NE2 3.64Å; H54-H68 AromaticContact CG-CE1 3.55Å; H54-H68 AromaticContact CG-ND1 3.73Å; H68-K90 WeakPolarHBondContact CA-O 3.45Å; H68-K90 HydrophobicContact CB-CB 4.1Å; H68-K90 WeakPolarHBondContact CD2-CB 3.21Å
69	L	88.4	Confident	78.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.3	173.2	178.8	55.4	0	0	0	109.5	V48 G51 L52 L71 L82 L88 K90 L91 E92	V48-L69 HydrophobicContact CG1-CD1 4.25Å; V48-L69 HydrophobicContact CG1-CD2 4.16Å; G51-L69 VanDerWaalsContact C-CD1 3.42Å; L52-L69 HydrophobicContact CD2-CB 4.19Å; L52-L69 HydrophobicContact CD2-CD1 4.28Å; L52-L69 HydrophobicContact CG-CD1 4.15Å; L69-L71 HydrophobicContact CD1-CD1 3.85Å; L69-L71 HydrophobicContact CD1-CD2 4.11Å; L69-L71 HydrophobicContact CD1-CG 3.74Å; L69-L71 HydrophobicContact CD2-CD1 4.02Å; L69-L71 HydrophobicContact CG-CD1 3.97Å; L69-L71 HydrophobicContact CG-CG 4.09Å; L69-L82 HydrophobicContact CD2-CD2 3.37Å; L69-L88 HydrophobicContact CB-CD1 4.08Å; L69-L88 HydrophobicContact CB-CD2 3.82Å; L69-L88 HydrophobicContact CD2-CD1 3.94Å; L69-K90 PolarHBondContact N-O 3.48Å; L69-L91 HydrophobicContact CB-CD1 3.95Å; L69-L91 HydrophobicContact CD2-CD1 3.97Å; L69-L91 HydrophobicContact CG-CD1 4.03Å; L69-L91 WeakPolarHBondContact O-CA 3.39Å; L69-E92 PolarHBondContact O-N 2.83Å
70	S	90	Very high	79.8	Confident	39 Å²	39	64.4 Å²	64.4	27%	0.273	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	116.5	179.7	-153.6	0	0	0	0	109.9	G51 E92	G51-S70 WeakPolarHBondContact CA-O 3.4Å; G51-S70 PolarHBondContact O-N 2.93Å; G51-S70 VanDerWaalsContact O-N 3.11Å; S70-E92 WeakPolarHBondContact CA-O 3.26Å; S70-E92 WeakPolarHBondContact CB-OE2 3.37Å; S70-E92 WeakPolarHBondContact OG-CB 3.43Å; S70-E92 PolarHBondContact OG-OE2 3.42Å
71	L	87.9	Confident	80.7	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.031	33%	0.334	C	S	.	.			trans	-136.5	59	-174.9	-61.7	171.6	0	0	0	112.1	L43 M47 L69 L74 L76 E92 L93 N96	L43-L71 HydrophobicContact CD1-CD1 3.63Å; L43-L71 HydrophobicContact CD2-CD1 4.26Å; M47-L71 WeakPolarHBondContact O-CD2 3.12Å; L69-L71 HydrophobicContact CD1-CD1 3.85Å; L69-L71 HydrophobicContact CD1-CD2 4.11Å; L69-L71 HydrophobicContact CD1-CG 3.74Å; L69-L71 HydrophobicContact CD2-CD1 4.02Å; L69-L71 HydrophobicContact CG-CD1 3.97Å; L69-L71 HydrophobicContact CG-CG 4.09Å; L71-L74 HydrophobicContact CB-CD1 3.93Å; L71-L74 HydrophobicContact CD2-CD1 3.91Å; L71-L76 HydrophobicContact CB-CD1 4.23Å; L71-L76 HydrophobicContact CD1-CD1 4.35Å; L71-E92 PolarHBondContact N-O 3.49Å; L71-L93 HydrophobicContact CB-CD2 3.97Å; L71-L93 HydrophobicContact CD1-CD2 4.06Å; L71-L93 HydrophobicContact CG-CD2 4.46Å; L71-N96 PolarHBondContact O-ND2 2.88Å
72	P	88.3	Confident	81.6	Confident	49 Å²	49	59.7 Å²	59.7	32%	0.318	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	148.8	-177	34.4	-36.7	0	0	0	113.3	L74 Q94	P72-L74 PolarHBondContact O-N 3.23Å; P72-Q94 WeakPolarHBondContact CA-O 3.46Å; P72-Q94 HydrophobicContact CB-CG 4.07Å
73	N	86.4	Confident	82.9	Confident	110 Å²	110	54.3 Å²	54.3	59%	0.588	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	35.5	174	-49	-86.6	0	0	0	115.3	Q94 H95	N73-Q94 PolarHBondContact N-O 3.45Å; N73-Q94 VanDerWaalsContact N-O 3.16Å; N73-H95 WeakPolarHBondContact CA-O 3.31Å; N73-H95 PolarHBondContact N-O 3.01Å; N73-H95 VanDerWaalsContact OD1-CB 3.27Å; N73-H95 WeakPolarHBondContact OD1-CB 3.49Å
74	L	86.5	Confident	83.9	Confident	73 Å²	73	55 Å²	55	38%	0.382	29%	0.291	S	S	.	.	S	Bend	trans	-105.5	7.4	-178.6	-60.7	-174.9	0	0	0	113.7	M47 L71 P72 L76 N96	M47-L74 HydrophobicContact CE-CB 4.08Å; M47-L74 HydrophobicContact CE-CD1 3.74Å; M47-L74 HydrophobicContact CE-CG 4.42Å; L71-L74 HydrophobicContact CB-CD1 3.93Å; L71-L74 HydrophobicContact CD2-CD1 3.91Å; P72-L74 PolarHBondContact O-N 3.23Å; L74-L76 HydrophobicContact CB-CD1 4.19Å; L74-L76 HydrophobicContact CB-CG 3.92Å; L74-L76 HydrophobicContact CD1-CD1 4.49Å; L74-L76 PolarHBondContact O-N 2.92Å; L74-L76 VanDerWaalsContact O-N 3.11Å; L74-N96 WeakPolarHBondContact CA-OD1 3.42Å; L74-N96 PolarHBondContact N-OD1 3.43Å
75	S	86.6	Confident	84.7	Confident	72 Å²	72	51.7 Å²	51.7	50%	0.503	27%	0.273	S	S	.	.			trans	48.6	34.2	-175.2	-74.6	0	0	0	0	114	G41 I77 N96 N97	G41-S75 WeakPolarHBondContact CA-O 3.26Å; S75-I77 PolarHBondContact O-N 3.29Å; S75-N96 PolarHBondContact N-OD1 2.68Å; S75-N97 PolarHBondContact OG-OD1 3.08Å
76	L	86.9	Confident	85.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.			trans	-65.8	132.4	179	-69.4	169.5	0	0	0	110.8	L43 M47 L71 L74 I79 N96 N97 I98	L43-L76 HydrophobicContact CB-CD2 3.95Å; L43-L76 HydrophobicContact CD1-CD1 4.01Å; L43-L76 HydrophobicContact CD1-CD2 4.1Å; M47-L76 HydrophobicContact CE-CD2 3.77Å; M47-L76 HydrophobicContact CE-CG 4.47Å; L71-L76 HydrophobicContact CB-CD1 4.23Å; L71-L76 HydrophobicContact CD1-CD1 4.35Å; L74-L76 HydrophobicContact CB-CD1 4.19Å; L74-L76 HydrophobicContact CB-CG 3.92Å; L74-L76 HydrophobicContact CD1-CD1 4.49Å; L74-L76 PolarHBondContact O-N 2.92Å; L74-L76 VanDerWaalsContact O-N 3.11Å; L76-I79 HydrophobicContact CB-CG2 4.41Å; L76-N96 HydrophobicContact CB-CB 4.16Å; L76-N96 PolarHBondContact N-OD1 3.1Å; L76-N97 CarbonylContact O-C 3.44Å; L76-N97 WeakPolarHBondContact O-CA 3.38Å; L76-N97 PolarHBondContact O-N 2.78Å; L76-I98 HydrophobicContact CB-CG1 4.44Å; L76-I98 VanDerWaalsContact O-CG1 3.3Å; L76-I98 WeakPolarHBondContact O-CG1 3.19Å; L76-I98 PolarHBondContact O-N 3.23Å
77	I	86.3	Confident	85.5	Confident	97 Å²	97	51.7 Å²	51.7	50%	0.497	28%	0.275	S	S	.	.			trans	-108.2	-44.1	172.5	-57.4	169.8	0	0	0	109.2	G41 S75 N97	G41-I77 PolarHBondContact O-N 2.95Å; S75-I77 PolarHBondContact O-N 3.29Å; I77-N97 HydrophobicContact CG1-CB 3.91Å
78	N	84.1	Confident	85.7	Confident	78 Å²	78	51.2 Å²	51.2	42%	0.417	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-112.5	111.8	-175	-172.8	-10.8	0	0	0	112.2	G41 V42 L43 H80	G41-N78 PolarHBondContact O-N 3.25Å; G41-N78 VanDerWaalsContact O-N 3.11Å; V42-N78 HydrophobicContact CG2-CB 4.36Å; L43-N78 VanDerWaalsContact CB-O 3.32Å; L43-N78 WeakPolarHBondContact CB-O 3.26Å; L43-N78 PolarHBondContact N-O 3.49Å; L43-N78 VanDerWaalsContact N-O 3.09Å; N78-H80 VanDerWaalsContact OD1-CB 3.23Å; N78-H80 WeakPolarHBondContact OD1-CB 3.29Å; N78-H80 PolarHBondContact OD1-N 3.03Å
79	I	85.3	Confident	85.7	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	27%	0.273	C	S	.	.			trans	-107.2	14.8	179.8	58.6	166.7	0	0	0	113.8	L43 L76 L81 L82 L93 I98 I101 C103	L43-I79 HydrophobicContact CD2-CB 4.43Å; L43-I79 HydrophobicContact CD2-CG2 4.42Å; L76-I79 HydrophobicContact CB-CG2 4.41Å; I79-L81 PolarHBondContact O-N 3.11Å; I79-L82 HydrophobicContact CB-CD1 3.97Å; I79-L82 HydrophobicContact CB-CG 4.26Å; I79-L82 HydrophobicContact CD1-CD1 4.2Å; I79-L82 VanDerWaalsContact O-CB 3.32Å; I79-L82 WeakPolarHBondContact O-CB 3.33Å; I79-L82 VanDerWaalsContact O-CG 3.31Å; I79-L82 WeakPolarHBondContact O-CG 3.32Å; I79-L82 PolarHBondContact O-N 3.27Å; I79-L93 HydrophobicContact CD1-CD1 3.95Å; I79-I98 HydrophobicContact CD1-CD1 4.31Å; I79-I98 HydrophobicContact CD1-CG2 3.93Å; I79-I98 HydrophobicContact CG1-CG2 4.21Å; I79-I98 HydrophobicContact CG2-CD1 3.8Å; I79-I98 HydrophobicContact CG2-CG1 4.09Å; I79-I101 HydrophobicContact CD1-CG2 4.3Å; I79-C103 WeakPolarHBondContact CD1-SG 3.06Å
80	H	84	Confident	85.8	Confident	128 Å²	128	53.3 Å²	53.3	59%	0.593	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-56.9	-24.5	-176.6	-178	-90.5	0	0	0	114	N78 L82 C83	N78-H80 VanDerWaalsContact OD1-CB 3.23Å; N78-H80 WeakPolarHBondContact OD1-CB 3.29Å; N78-H80 PolarHBondContact OD1-N 3.03Å; H80-L82 PolarHBondContact O-N 3.16Å; H80-L82 VanDerWaalsContact O-N 3.16Å; H80-C83 WeakPolarHBondContact O-CB 3.47Å; H80-C83 PolarHBondContact O-N 3.09Å; H80-C83 VanDerWaalsContact O-N 3.17Å; H80-C83 PolarHBondContact O-SG 2.72Å; H80-C83 VanDerWaalsContact O-SG 3.41Å
81	L	84.4	Confident	85.9	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.157	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57.8	-26.6	174.1	-176	61.4	0	0	0	113.3	L43 E45 V48 I79 C83 K84 Y85	L43-L81 HydrophobicContact CD2-CB 4.4Å; L43-L81 HydrophobicContact CG-CB 4.43Å; L43-L81 HydrophobicContact CG-CD2 4.33Å; L43-L81 WeakPolarHBondContact O-CD2 3.39Å; E45-L81 HydrophobicContact CB-CD2 4.42Å; E45-L81 HydrophobicContact CG-CD1 3.96Å; E45-L81 HydrophobicContact CG-CD2 3.67Å; E45-L81 HydrophobicContact CG-CG 4.38Å; V48-L81 HydrophobicContact CG2-CD2 4.11Å; I79-L81 PolarHBondContact O-N 3.11Å; L81-C83 PolarHBondContact O-N 3.37Å; L81-C83 VanDerWaalsContact O-N 3.11Å; L81-K84 HydrophobicContact CD1-CD 3.74Å; L81-K84 HydrophobicContact CD1-CG 4.42Å; L81-K84 PolarHBondContact O-N 3.33Å; L81-K84 VanDerWaalsContact O-N 3.16Å; L81-Y85 HydrophobicContact CG-CE2 4.46Å
82	L	84.3	Confident	86.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.4	-20.3	177.8	-63.3	-174.4	0	0	0	113.7	L43 L69 I79 H80 K84 Y85 L91 L93 I107	L43-L82 HydrophobicContact CD2-CD2 3.64Å; L43-L82 HydrophobicContact CD2-CG 3.8Å; L69-L82 HydrophobicContact CD2-CD2 3.37Å; I79-L82 HydrophobicContact CB-CD1 3.97Å; I79-L82 HydrophobicContact CB-CG 4.26Å; I79-L82 HydrophobicContact CD1-CD1 4.2Å; I79-L82 VanDerWaalsContact O-CB 3.32Å; I79-L82 WeakPolarHBondContact O-CB 3.33Å; I79-L82 VanDerWaalsContact O-CG 3.31Å; I79-L82 WeakPolarHBondContact O-CG 3.32Å; I79-L82 PolarHBondContact O-N 3.27Å; H80-L82 PolarHBondContact O-N 3.16Å; H80-L82 VanDerWaalsContact O-N 3.16Å; L82-K84 PolarHBondContact O-N 2.92Å; L82-Y85 PolarHBondContact O-N 3.34Å; L82-L91 HydrophobicContact CD1-CD1 4.24Å; L82-L91 HydrophobicContact CD1-CD2 4.1Å; L82-L93 HydrophobicContact CD1-CD1 3.97Å; L82-I107 HydrophobicContact CB-CD1 4.27Å
83	C	83.4	Confident	86.3	Confident	34 Å²	34	50.4 Å²	50.4	23%	0.23	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-57.6	-17.7	173.9	-66.3	0	0	0	0	114.2	H80 L81 C103 H106	H80-C83 WeakPolarHBondContact O-CB 3.47Å; H80-C83 PolarHBondContact O-N 3.09Å; H80-C83 VanDerWaalsContact O-N 3.17Å; H80-C83 PolarHBondContact O-SG 2.72Å; H80-C83 VanDerWaalsContact O-SG 3.41Å; L81-C83 PolarHBondContact O-N 3.37Å; L81-C83 VanDerWaalsContact O-N 3.11Å; C83-C103 VanDerWaalsContact SG-CA 3.59Å; C83-C103 WeakPolarHBondContact SG-CB 3.37Å; C83-H106 HydrophobicContact CB-CB 4.32Å
84	K	83.9	Confident	86.6	Confident	137 Å²	137	46.5 Å²	46.5	60%	0.596	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-77.3	-18.7	174.1	-60.8	-175	-175	-179.8	0	113.7	E45 L81 L82	E45-K84 IonicContact OE1-NZ 3.43Å; E45-K84 PolarHBondContact OE1-NZ 2.95Å; L81-K84 HydrophobicContact CD1-CD 3.74Å; L81-K84 HydrophobicContact CD1-CG 4.42Å; L81-K84 PolarHBondContact O-N 3.33Å; L81-K84 VanDerWaalsContact O-N 3.16Å; L82-K84 PolarHBondContact O-N 2.92Å
85	Y	84.2	Confident	86.8	Confident	59 Å²	59	46.9 Å²	46.9	23%	0.231	24%	0.24	C	C	.	.			trans	-109.3	54.3	-164	-62.7	-88.1	0	0	0	113.3	V48 L52 L81 L82 H87 L88	V48-Y85 HydrophobicContact CG1-CD2 4.4Å; V48-Y85 HydrophobicContact CG1-CE1 3.95Å; V48-Y85 HydrophobicContact CG1-CE2 3.81Å; L52-Y85 HydrophobicContact CD1-CD1 4.29Å; L52-Y85 HydrophobicContact CD1-CE1 3.85Å; L81-Y85 HydrophobicContact CG-CE2 4.46Å; L82-Y85 PolarHBondContact O-N 3.34Å; Y85-H87 PolarHBondContact O-N 3.3Å; Y85-L88 WeakPolarHBondContact O-CG 3.43Å; Y85-L88 PolarHBondContact O-N 3.45Å
86	A	83.1	Confident	87.1	Confident	38 Å²	38	43.8 Å²	43.8	31%	0.314	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-9	-173	0	0	0	0	0	116.6	H106	A86-H106 WeakPolarHBondContact CA-O 3.08Å; A86-H106 VanDerWaalsContact CB-O 3.28Å; A86-H106 WeakPolarHBondContact CB-O 3.45Å
87	H	83.4	Confident	87.3	Confident	68 Å²	68	46.4 Å²	46.4	32%	0.315	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	9.6	179.8	-62.1	-62.3	0	0	0	114.1	V65 C67 Y85	V65-H87 HydrophobicContact CB-CB 4.35Å; V65-H87 HydrophobicContact CG1-CB 3.8Å; C67-H87 PolarHBondContact SG-O 2.95Å; C67-H87 VanDerWaalsContact SG-O 3.41Å; Y85-H87 PolarHBondContact O-N 3.3Å
88	L	85.3	Confident	87.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.208	C	C	.	.			trans	-67.9	135.1	173.1	-70.3	172	0	0	0	111.4	L52 L69 Y85 I107 H109	L52-L88 HydrophobicContact CD2-CD2 3.83Å; L69-L88 HydrophobicContact CB-CD1 4.08Å; L69-L88 HydrophobicContact CB-CD2 3.82Å; L69-L88 HydrophobicContact CD2-CD1 3.94Å; Y85-L88 WeakPolarHBondContact O-CG 3.43Å; Y85-L88 PolarHBondContact O-N 3.45Å; L88-I107 HydrophobicContact CB-CG2 3.76Å; L88-I107 HydrophobicContact CD1-CD1 4.3Å; L88-I107 WeakPolarHBondContact O-CG2 3.19Å; L88-H109 CarbonylContact O-C 3.3Å
89	V	87.1	Confident	87.6	Confident	43 Å²	43	43.3 Å²	43.3	26%	0.261	21%	0.212	S	C	.	.	S	Bend	trans	-115.1	-31	-177.7	178.9	0	0	0	0	110.8	C67 I111 Y112	C67-V89 HydrophobicContact CB-CB 4.25Å; C67-V89 HydrophobicContact CB-CG2 4.02Å; C67-V89 PolarHBondContact O-N 3.3Å; V89-I111 HydrophobicContact CG1-CB 3.99Å; V89-I111 HydrophobicContact CG1-CD1 3.74Å; V89-I111 HydrophobicContact CG1-CG1 3.89Å; V89-I111 PolarHBondContact O-N 3.25Å; V89-Y112 PolarHBondContact O-N 3.35Å; V89-Y112 VanDerWaalsContact O-N 3.15Å
90	K	90.3	Very high	87.6	Confident	55 Å²	55	47.5 Å²	47.5	24%	0.239	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.9	172.7	-171.5	-173.3	-173.8	-147.6	0	109.6	C67 H68 L69 E92 Y112	C67-K90 PolarHBondContact O-N 3.42Å; C67-K90 VanDerWaalsContact O-N 3.16Å; H68-K90 WeakPolarHBondContact CA-O 3.45Å; H68-K90 HydrophobicContact CB-CB 4.1Å; H68-K90 WeakPolarHBondContact CD2-CB 3.21Å; L69-K90 PolarHBondContact N-O 3.48Å; K90-E92 VanDerWaalsContact CE-CD 3.41Å; K90-E92 WeakPolarHBondContact CE-OE1 3.35Å; K90-E92 IonicContact NZ-OE1 3.77Å; K90-E92 PolarHBondContact NZ-OE1 3.46Å; K90-E92 IonicContact NZ-OE2 3.52Å; K90-E92 PolarHBondContact NZ-OE2 3.27Å; K90-Y112 WeakPolarHBondContact CA-O 3.38Å; K90-Y112 HydrophobicContact CD-CD1 4.29Å; K90-Y112 HydrophobicContact CG-CD1 3.56Å; K90-Y112 HydrophobicContact CG-CE1 4.36Å; K90-Y112 HydrophobicContact CG-CG 3.99Å
91	L	92.3	Very high	87.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127	176.3	-176.8	57.8	0	0	0	110.1	L69 L82 L93 L104 I107 L110 Y112 L113 D114	L69-L91 HydrophobicContact CB-CD1 3.95Å; L69-L91 HydrophobicContact CD2-CD1 3.97Å; L69-L91 HydrophobicContact CG-CD1 4.03Å; L69-L91 WeakPolarHBondContact O-CA 3.39Å; L82-L91 HydrophobicContact CD1-CD1 4.24Å; L82-L91 HydrophobicContact CD1-CD2 4.1Å; L91-L93 HydrophobicContact CD1-CD1 4.05Å; L91-L93 HydrophobicContact CD1-CD2 3.9Å; L91-L93 HydrophobicContact CD1-CG 3.81Å; L91-L93 HydrophobicContact CD2-CD1 3.95Å; L91-L93 HydrophobicContact CD2-CG 4.49Å; L91-L93 HydrophobicContact CG-CD1 3.93Å; L91-L93 HydrophobicContact CG-CG 3.92Å; L91-L104 HydrophobicContact CD2-CD2 3.46Å; L91-L104 VanDerWaalsContact CD2-CD2 3.46Å; L91-I107 HydrophobicContact CD2-CD1 4.45Å; L91-L110 HydrophobicContact CB-CD1 3.71Å; L91-L110 HydrophobicContact CB-CD2 4.44Å; L91-Y112 PolarHBondContact N-O 3.17Å; L91-L113 HydrophobicContact CB-CD1 4.18Å; L91-L113 HydrophobicContact CD2-CD1 4.05Å; L91-L113 HydrophobicContact CG-CD1 4.19Å; L91-L113 CarbonylContact O-C 3.13Å; L91-L113 WeakPolarHBondContact O-CA 3.33Å; L91-D114 PolarHBondContact O-N 3.48Å
92	E	93.1	Very high	87.7	Confident	33 Å²	33	42.5 Å²	42.5	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	114.3	179.5	-81	172.4	150.6	0	0	108.6	L69 S70 L71 K90 Y112 D114	L69-E92 PolarHBondContact O-N 2.83Å; S70-E92 WeakPolarHBondContact CA-O 3.26Å; S70-E92 WeakPolarHBondContact CB-OE2 3.37Å; S70-E92 WeakPolarHBondContact OG-CB 3.43Å; S70-E92 PolarHBondContact OG-OE2 3.42Å; L71-E92 PolarHBondContact N-O 3.49Å; K90-E92 VanDerWaalsContact CE-CD 3.41Å; K90-E92 WeakPolarHBondContact CE-OE1 3.35Å; K90-E92 IonicContact NZ-OE1 3.77Å; K90-E92 PolarHBondContact NZ-OE1 3.46Å; K90-E92 IonicContact NZ-OE2 3.52Å; K90-E92 PolarHBondContact NZ-OE2 3.27Å; E92-Y112 HydrophobicContact CG-CE1 3.83Å; E92-D114 HydrophobicContact CG-CB 4.18Å
93	L	90.9	Very high	87.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.			trans	-134.5	29.3	-175.1	-60	175.3	0	0	0	111.1	L71 I79 L82 L91 N96 I98 D114 V115 N118	L71-L93 HydrophobicContact CB-CD2 3.97Å; L71-L93 HydrophobicContact CD1-CD2 4.06Å; L71-L93 HydrophobicContact CG-CD2 4.46Å; I79-L93 HydrophobicContact CD1-CD1 3.95Å; L82-L93 HydrophobicContact CD1-CD1 3.97Å; L91-L93 HydrophobicContact CD1-CD1 4.05Å; L91-L93 HydrophobicContact CD1-CD2 3.9Å; L91-L93 HydrophobicContact CD1-CG 3.81Å; L91-L93 HydrophobicContact CD2-CD1 3.95Å; L91-L93 HydrophobicContact CD2-CG 4.49Å; L91-L93 HydrophobicContact CG-CD1 3.93Å; L91-L93 HydrophobicContact CG-CG 3.92Å; L93-N96 VanDerWaalsContact C-ND2 3.31Å; L93-N96 PolarHBondContact O-ND2 3.1Å; L93-I98 HydrophobicContact CB-CD1 3.89Å; L93-I98 HydrophobicContact CD1-CD1 4.08Å; L93-D114 PolarHBondContact N-O 3.38Å; L93-V115 HydrophobicContact CB-CG1 4.04Å; L93-V115 HydrophobicContact CD1-CG1 4.13Å; L93-N118 PolarHBondContact O-ND2 3.11Å
94	Q	92.5	Very high	87.6	Confident	27 Å²	27	41 Å²	41	13%	0.126	21%	0.206	C	C	.	.			trans	-72.7	152.1	-172.8	65.3	-83.6	71.7	0	0	113.5	P72 N73 N96 D114 S116	P72-Q94 WeakPolarHBondContact CA-O 3.46Å; P72-Q94 HydrophobicContact CB-CG 4.07Å; N73-Q94 PolarHBondContact N-O 3.45Å; N73-Q94 VanDerWaalsContact N-O 3.16Å; Q94-N96 PolarHBondContact O-ND2 3.09Å; Q94-D114 PolarHBondContact NE2-OD2 2.86Å; Q94-S116 CarbonylContact C-O 3.31Å; Q94-S116 WeakPolarHBondContact CA-O 3.33Å; Q94-S116 WeakPolarHBondContact CB-O 3.49Å; Q94-S116 VanDerWaalsContact CB-OG 3.29Å; Q94-S116 WeakPolarHBondContact CB-OG 3.23Å
95	H	91.6	Very high	87.5	Confident	82 Å²	82	37.7 Å²	37.7	38%	0.38	20%	0.195	S	C	.	.	S	Bend	trans	56.9	57	-175.2	-54.1	-70.6	0	0	0	112.6	N73 S116 H117	N73-H95 WeakPolarHBondContact CA-O 3.31Å; N73-H95 PolarHBondContact N-O 3.01Å; N73-H95 VanDerWaalsContact OD1-CB 3.27Å; N73-H95 WeakPolarHBondContact OD1-CB 3.49Å; H95-S116 PolarHBondContact N-O 2.98Å; H95-H117 VanDerWaalsContact CA-O 3.27Å; H95-H117 WeakPolarHBondContact CA-O 3.34Å; H95-H117 HydrophobicContact CB-CB 4.48Å; H95-H117 AromaticContact CE1-CD2 3.19Å; H95-H117 PolarHBondContact CE1-CD2 3.32Å; H95-H117 AromaticContact CE1-CE1 3.95Å; H95-H117 AromaticContact CE1-CG 3.43Å; H95-H117 VanDerWaalsContact CE1-CG 3.43Å; H95-H117 AromaticContact CE1-ND1 3.89Å; H95-H117 AromaticContact CE1-NE2 3.55Å; H95-H117 PolarHBondContact N-O 3.44Å; H95-H117 VanDerWaalsContact ND1-CB 3.33Å; H95-H117 WeakPolarHBondContact ND1-CB 3.23Å; H95-H117 AromaticContact ND1-CD2 3.59Å; H95-H117 AromaticContact ND1-CG 3.35Å; H95-H117 AromaticContact ND1-ND1 3.91Å; H95-H117 AromaticContact NE2-CD2 3.93Å
96	N	92.2	Very high	87.4	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-128.6	-171.4	172.4	-74.3	-67	0	0	0	109.4	L71 L74 S75 L76 L93 Q94 I98 H117 N118	L71-N96 PolarHBondContact O-ND2 2.88Å; L74-N96 WeakPolarHBondContact CA-OD1 3.42Å; L74-N96 PolarHBondContact N-OD1 3.43Å; S75-N96 PolarHBondContact N-OD1 2.68Å; L76-N96 HydrophobicContact CB-CB 4.16Å; L76-N96 PolarHBondContact N-OD1 3.1Å; L93-N96 VanDerWaalsContact C-ND2 3.31Å; L93-N96 PolarHBondContact O-ND2 3.1Å; Q94-N96 PolarHBondContact O-ND2 3.09Å; N96-I98 HydrophobicContact CB-CD1 3.98Å; N96-I98 HydrophobicContact CB-CG1 3.95Å; N96-H117 PolarHBondContact N-O 2.98Å; N96-H117 VanDerWaalsContact N-O 3.14Å; N96-N118 WeakPolarHBondContact CA-OD1 3.17Å; N96-N118 VanDerWaalsContact CB-OD1 3.23Å; N96-N118 WeakPolarHBondContact CB-OD1 3.48Å; N96-N118 PolarHBondContact O-OD1 3.28Å
97	N	91.1	Very high	87.6	Confident	54 Å²	54	37.7 Å²	37.7	29%	0.289	19%	0.191	S	C	.	.			trans	-117.1	34.5	-178.1	-65.9	93.5	0	0	0	110.8	S75 L76 I77 E99 N118 E119	S75-N97 PolarHBondContact OG-OD1 3.08Å; L76-N97 CarbonylContact O-C 3.44Å; L76-N97 WeakPolarHBondContact O-CA 3.38Å; L76-N97 PolarHBondContact O-N 2.78Å; I77-N97 HydrophobicContact CG1-CB 3.91Å; N97-E99 PolarHBondContact O-N 2.97Å; N97-N118 PolarHBondContact N-OD1 3.07Å; N97-E119 PolarHBondContact ND2-OE1 3.1Å
98	I	89.8	Confident	87.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.			trans	-75.6	123.9	-173.7	-56.1	165	0	0	0	109.5	L76 I79 L93 N96 D100 I101 N118 E119 I120	L76-I98 HydrophobicContact CB-CG1 4.44Å; L76-I98 VanDerWaalsContact O-CG1 3.3Å; L76-I98 WeakPolarHBondContact O-CG1 3.19Å; L76-I98 PolarHBondContact O-N 3.23Å; I79-I98 HydrophobicContact CD1-CD1 4.31Å; I79-I98 HydrophobicContact CD1-CG2 3.93Å; I79-I98 HydrophobicContact CG1-CG2 4.21Å; I79-I98 HydrophobicContact CG2-CD1 3.8Å; I79-I98 HydrophobicContact CG2-CG1 4.09Å; L93-I98 HydrophobicContact CB-CD1 3.89Å; L93-I98 HydrophobicContact CD1-CD1 4.08Å; N96-I98 HydrophobicContact CB-CD1 3.98Å; N96-I98 HydrophobicContact CB-CG1 3.95Å; I98-D100 VanDerWaalsContact CG2-O 3.29Å; I98-D100 WeakPolarHBondContact CG2-O 3.2Å; I98-I101 HydrophobicContact CG2-CG2 4Å; I98-N118 HydrophobicContact CB-CB 4.43Å; I98-N118 VanDerWaalsContact CB-OD1 3.26Å; I98-N118 WeakPolarHBondContact CB-OD1 3.28Å; I98-N118 VanDerWaalsContact CG1-OD1 3.29Å; I98-N118 WeakPolarHBondContact CG1-OD1 3.36Å; I98-N118 PolarHBondContact N-OD1 3.39Å; I98-E119 CarbonylContact O-C 3.12Å; I98-E119 PolarHBondContact O-N 3.37Å; I98-I120 WeakPolarHBondContact O-CG1 3.36Å; I98-I120 PolarHBondContact O-N 3.37Å
99	E	88.1	Confident	87.5	Confident	111 Å²	111	39.8 Å²	39.8	52%	0.519	21%	0.206	S	C	.	.			trans	-98.6	-35.4	171.5	-65.8	-164.8	159.6	0	0	113.1	N97 E119	N97-E99 PolarHBondContact O-N 2.97Å; E99-E119 HydrophobicContact CG-CB 4.01Å
100	D	85.6	Confident	87.6	Confident	91 Å²	91	37.7 Å²	37.7	49%	0.487	19%	0.193	S	C	.	.			trans	-115.1	131.4	-177.2	-177.4	30.8	0	0	0	112.9	I98 S102	I98-D100 VanDerWaalsContact CG2-O 3.29Å; I98-D100 WeakPolarHBondContact CG2-O 3.2Å; D100-S102 VanDerWaalsContact OD1-CB 3.24Å; D100-S102 WeakPolarHBondContact OD1-CB 3.31Å; D100-S102 PolarHBondContact OD1-N 2.74Å; D100-S102 PolarHBondContact OD1-OG 2.88Å; D100-S102 WeakPolarHBondContact OD2-CB 3.18Å; D100-S102 PolarHBondContact OD2-OG 3.02Å
101	I	85.8	Confident	87.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.197	C	C	.	.			trans	-119.5	15	178.4	57.5	171.5	0	0	0	112.4	I79 I98 C103 L104 I120 F126 F137	I79-I101 HydrophobicContact CD1-CG2 4.3Å; I98-I101 HydrophobicContact CG2-CG2 4Å; I101-C103 PolarHBondContact O-N 3.17Å; I101-L104 HydrophobicContact CB-CD1 3.94Å; I101-L104 HydrophobicContact CB-CG 4.25Å; I101-L104 HydrophobicContact CD1-CD1 4.35Å; I101-L104 WeakPolarHBondContact O-CB 3.36Å; I101-L104 VanDerWaalsContact O-CG 3.3Å; I101-L104 WeakPolarHBondContact O-CG 3.41Å; I101-L104 PolarHBondContact O-N 3.49Å; I101-I120 HydrophobicContact CD1-CD1 4.39Å; I101-I120 HydrophobicContact CD1-CG2 4.26Å; I101-I120 HydrophobicContact CG1-CG2 4.5Å; I101-I120 HydrophobicContact CG2-CD1 3.73Å; I101-I120 HydrophobicContact CG2-CG1 4.21Å; I101-F126 HydrophobicContact CD1-CE1 3.58Å; I101-F126 HydrophobicContact CD1-CZ 4.04Å; I101-F126 HydrophobicContact CG1-CD1 4.37Å; I101-F126 HydrophobicContact CG1-CE1 3.8Å; I101-F137 HydrophobicContact CD1-CE1 3.86Å
102	S	83.3	Confident	87.5	Confident	51 Å²	51	41.4 Å²	41.4	36%	0.357	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-50.9	-32	177.6	66.3	0	0	0	0	113.9	D100 L104 N105	D100-S102 VanDerWaalsContact OD1-CB 3.24Å; D100-S102 WeakPolarHBondContact OD1-CB 3.31Å; D100-S102 PolarHBondContact OD1-N 2.74Å; D100-S102 PolarHBondContact OD1-OG 2.88Å; D100-S102 WeakPolarHBondContact OD2-CB 3.18Å; D100-S102 PolarHBondContact OD2-OG 3.02Å; S102-L104 PolarHBondContact O-N 2.97Å; S102-L104 VanDerWaalsContact O-N 3.15Å; S102-N105 WeakPolarHBondContact O-CB 3.4Å; S102-N105 PolarHBondContact O-N 2.92Å; S102-N105 VanDerWaalsContact O-N 3.15Å
103	C	81.9	Confident	87.5	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.02	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.4	177.3	65.9	0	0	0	0	114.2	I79 C83 I101 N105 H106	I79-C103 WeakPolarHBondContact CD1-SG 3.06Å; C83-C103 VanDerWaalsContact SG-CA 3.59Å; C83-C103 WeakPolarHBondContact SG-CB 3.37Å; I101-C103 PolarHBondContact O-N 3.17Å; C103-N105 PolarHBondContact O-N 3.09Å; C103-N105 VanDerWaalsContact O-N 3.12Å; C103-H106 PolarHBondContact O-N 3.49Å
104	L	83.9	Confident	87.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.7	179.4	-60.8	-176.9	0	0	0	112.9	L91 I101 S102 H106 I107 L113	L91-L104 HydrophobicContact CD2-CD2 3.46Å; L91-L104 VanDerWaalsContact CD2-CD2 3.46Å; I101-L104 HydrophobicContact CB-CD1 3.94Å; I101-L104 HydrophobicContact CB-CG 4.25Å; I101-L104 HydrophobicContact CD1-CD1 4.35Å; I101-L104 WeakPolarHBondContact O-CB 3.36Å; I101-L104 VanDerWaalsContact O-CG 3.3Å; I101-L104 WeakPolarHBondContact O-CG 3.41Å; I101-L104 PolarHBondContact O-N 3.49Å; S102-L104 PolarHBondContact O-N 2.97Å; S102-L104 VanDerWaalsContact O-N 3.15Å; L104-H106 PolarHBondContact O-N 3.28Å; L104-I107 HydrophobicContact CD2-CD1 4.16Å; L104-I107 PolarHBondContact O-N 2.84Å; L104-L113 HydrophobicContact CD1-CD1 4.25Å; L104-L113 HydrophobicContact CD1-CD2 3.73Å
105	N	81.9	Confident	87.7	Confident	67 Å²	67	39.2 Å²	39.2	36%	0.358	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-53.1	-23.8	170.7	-170	57	0	0	0	113.4	S102 C103 F126 Q127	S102-N105 WeakPolarHBondContact O-CB 3.4Å; S102-N105 PolarHBondContact O-N 2.92Å; S102-N105 VanDerWaalsContact O-N 3.15Å; C103-N105 PolarHBondContact O-N 3.09Å; C103-N105 VanDerWaalsContact O-N 3.12Å; N105-F126 HydrophobicContact CB-CB 3.98Å; N105-Q127 VanDerWaalsContact OD1-CB 3.28Å; N105-Q127 WeakPolarHBondContact OD1-CB 3.28Å; N105-Q127 VanDerWaalsContact OD1-CG 3.26Å; N105-Q127 WeakPolarHBondContact OD1-CG 3.26Å; N105-Q127 PolarHBondContact OD1-N 3.5Å
106	H	82.8	Confident	87.8	Confident	98 Å²	98	35.9 Å²	35.9	45%	0.454	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-94	2.1	178.8	-64.6	-83	0	0	0	114.1	C83 A86 C103 L104 P108	C83-H106 HydrophobicContact CB-CB 4.32Å; A86-H106 WeakPolarHBondContact CA-O 3.08Å; A86-H106 VanDerWaalsContact CB-O 3.28Å; A86-H106 WeakPolarHBondContact CB-O 3.45Å; C103-H106 PolarHBondContact O-N 3.49Å; L104-H106 PolarHBondContact O-N 3.28Å; H106-P108 VanDerWaalsContact O-CD 3.24Å; H106-P108 WeakPolarHBondContact O-CD 3.23Å
107	I	86.1	Confident	87.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.			trans	-119.9	66.5	-177.5	-46.8	177.7	0	0	0	110.1	L82 L88 L91 L104 H109 L110	L82-I107 HydrophobicContact CB-CD1 4.27Å; L88-I107 HydrophobicContact CB-CG2 3.76Å; L88-I107 HydrophobicContact CD1-CD1 4.3Å; L88-I107 WeakPolarHBondContact O-CG2 3.19Å; L91-I107 HydrophobicContact CD2-CD1 4.45Å; L104-I107 HydrophobicContact CD2-CD1 4.16Å; L104-I107 PolarHBondContact O-N 2.84Å; I107-H109 PolarHBondContact O-N 3.48Å; I107-H109 VanDerWaalsContact O-N 3.13Å; I107-L110 HydrophobicContact CG2-CB 4.31Å; I107-L110 HydrophobicContact CG2-CD1 4.32Å; I107-L110 PolarHBondContact O-N 3.47Å
108	P	83.8	Confident	88	Confident	60 Å²	60	36.8 Å²	36.8	39%	0.39	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.2	-169.3	28	-35.3	0	0	0	114.7	H106 Y131	H106-P108 VanDerWaalsContact O-CD 3.24Å; H106-P108 WeakPolarHBondContact O-CD 3.23Å; P108-Y131 WeakPolarHBondContact O-CD2 3.43Å
109	H	84.3	Confident	88.1	Confident	52 Å²	52	39 Å²	39	24%	0.241	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	11.6	-175.8	-63.3	-65.8	0	0	0	114.4	L59 L88 I107 I111 Y131	L59-H109 VanDerWaalsContact CD1-NE2 3.31Å; L59-H109 WeakPolarHBondContact CD1-NE2 3.46Å; L88-H109 CarbonylContact O-C 3.3Å; I107-H109 PolarHBondContact O-N 3.48Å; I107-H109 VanDerWaalsContact O-N 3.13Å; H109-I111 PolarHBondContact O-N 2.87Å; H109-Y131 AromaticContact ND1-CE2 3.97Å
110	L	87.9	Confident	88.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.			trans	-64.7	127.4	179.2	-159.8	70	0	0	0	111.5	L91 I107 Y112 L113 L129 Y131 L132	L91-L110 HydrophobicContact CB-CD1 3.71Å; L91-L110 HydrophobicContact CB-CD2 4.44Å; I107-L110 HydrophobicContact CG2-CB 4.31Å; I107-L110 HydrophobicContact CG2-CD1 4.32Å; I107-L110 PolarHBondContact O-N 3.47Å; L110-Y112 WeakPolarHBondContact CD1-O 3.46Å; L110-L113 HydrophobicContact CD2-CB 3.81Å; L110-L113 HydrophobicContact CD2-CD1 4.02Å; L110-L113 HydrophobicContact CD2-CD2 4.23Å; L110-L113 HydrophobicContact CD2-CG 4.25Å; L110-L129 HydrophobicContact CD2-CD1 4.11Å; L110-Y131 CarbonylContact O-C 3.17Å; L110-Y131 VanDerWaalsContact O-C 3.31Å; L110-L132 HydrophobicContact CD2-CD1 4.25Å; L110-L132 HydrophobicContact CG-CD1 4.21Å; L110-L132 VanDerWaalsContact O-CA 3.28Å; L110-L132 WeakPolarHBondContact O-CA 3.25Å; L110-L132 PolarHBondContact O-N 2.91Å; L110-L132 VanDerWaalsContact O-N 3.15Å
111	I	89.5	Confident	88	Confident	63 Å²	63	31.4 Å²	31.4	32%	0.323	17%	0.165	S	C	.	.			trans	-108.2	-32.6	178.5	-65.3	-179.7	0	0	0	111.2	V89 H109 Q133 V134	V89-I111 HydrophobicContact CG1-CB 3.99Å; V89-I111 HydrophobicContact CG1-CD1 3.74Å; V89-I111 HydrophobicContact CG1-CG1 3.89Å; V89-I111 PolarHBondContact O-N 3.25Å; H109-I111 PolarHBondContact O-N 2.87Å; I111-Q133 HydrophobicContact CG2-CB 4.07Å; I111-Q133 HydrophobicContact CG2-CG 4.22Å; I111-Q133 PolarHBondContact O-N 2.84Å; I111-V134 PolarHBondContact O-N 3.39Å; I111-V134 VanDerWaalsContact O-N 3.13Å
112	Y	92	Very high	87.4	Confident	69 Å²	69	35.8 Å²	35.8	27%	0.271	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.5	177.9	178.7	-74.7	0	0	0	110.2	V89 K90 L91 E92 L110 D114 V134	V89-Y112 PolarHBondContact O-N 3.35Å; V89-Y112 VanDerWaalsContact O-N 3.15Å; K90-Y112 WeakPolarHBondContact CA-O 3.38Å; K90-Y112 HydrophobicContact CD-CD1 4.29Å; K90-Y112 HydrophobicContact CG-CD1 3.56Å; K90-Y112 HydrophobicContact CG-CE1 4.36Å; K90-Y112 HydrophobicContact CG-CG 3.99Å; L91-Y112 PolarHBondContact N-O 3.17Å; E92-Y112 HydrophobicContact CG-CE1 3.83Å; L110-Y112 WeakPolarHBondContact CD1-O 3.46Å; Y112-D114 HydrophobicContact CE1-CB 3.69Å; Y112-V134 WeakPolarHBondContact CA-O 3.46Å; Y112-V134 HydrophobicContact CD2-CB 3.79Å; Y112-V134 HydrophobicContact CD2-CG1 3.75Å; Y112-V134 HydrophobicContact CD2-CG2 4.49Å; Y112-V134 HydrophobicContact CE2-CB 4.33Å; Y112-V134 HydrophobicContact CE2-CG1 3.76Å
113	L	92.8	Very high	86.5	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.9	174.4	178.4	58.5	0	0	0	109.7	L91 L104 L110 V115 L132 V134 A135 D136 F137	L91-L113 HydrophobicContact CB-CD1 4.18Å; L91-L113 HydrophobicContact CD2-CD1 4.05Å; L91-L113 HydrophobicContact CG-CD1 4.19Å; L91-L113 CarbonylContact O-C 3.13Å; L91-L113 WeakPolarHBondContact O-CA 3.33Å; L104-L113 HydrophobicContact CD1-CD1 4.25Å; L104-L113 HydrophobicContact CD1-CD2 3.73Å; L110-L113 HydrophobicContact CD2-CB 3.81Å; L110-L113 HydrophobicContact CD2-CD1 4.02Å; L110-L113 HydrophobicContact CD2-CD2 4.23Å; L110-L113 HydrophobicContact CD2-CG 4.25Å; L113-V115 HydrophobicContact CD1-CG1 3.79Å; L113-V115 HydrophobicContact CG-CG1 4.43Å; L113-V115 HydrophobicContact CG-CG2 4.48Å; L113-L132 HydrophobicContact CB-CD1 3.89Å; L113-V134 PolarHBondContact N-O 3.08Å; L113-V134 VanDerWaalsContact N-O 3.07Å; L113-A135 CarbonylContact O-C 3.46Å; L113-A135 WeakPolarHBondContact O-CA 3.43Å; L113-D136 PolarHBondContact O-N 3.4Å; L113-F137 HydrophobicContact CD2-CE1 4.01Å; L113-F137 HydrophobicContact CD2-CE2 4.23Å; L113-F137 HydrophobicContact CD2-CZ 3.46Å; L113-F137 VanDerWaalsContact CD2-CZ 3.46Å; L113-F137 HydrophobicContact CG-CZ 4.39Å
114	D	94.1	Very high	85.5	Confident	13 Å²	13	34.8 Å²	34.8	7%	0.07	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.6	166.2	179.3	2.1	0	0	0	108.5	L91 E92 L93 Q94 Y112 S116 D136	L91-D114 PolarHBondContact O-N 3.48Å; E92-D114 HydrophobicContact CG-CB 4.18Å; L93-D114 PolarHBondContact N-O 3.38Å; Q94-D114 PolarHBondContact NE2-OD2 2.86Å; Y112-D114 HydrophobicContact CE1-CB 3.69Å; D114-S116 VanDerWaalsContact OD1-CB 3.25Å; D114-S116 WeakPolarHBondContact OD1-CB 3.49Å; D114-S116 PolarHBondContact OD1-N 3.32Å; D114-S116 PolarHBondContact OD1-OG 3.41Å; D114-D136 HydrophobicContact CB-CB 4.42Å
115	V	92.4	Very high	84.3	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.213	C	C	.	.			trans	-127.1	30.9	171.1	-71.1	0	0	0	0	109.7	L93 L113 N118 I120 D136 F137 N140	L93-V115 HydrophobicContact CB-CG1 4.04Å; L93-V115 HydrophobicContact CD1-CG1 4.13Å; L113-V115 HydrophobicContact CD1-CG1 3.79Å; L113-V115 HydrophobicContact CG-CG1 4.43Å; L113-V115 HydrophobicContact CG-CG2 4.48Å; V115-N118 PolarHBondContact O-ND2 3.42Å; V115-I120 HydrophobicContact CB-CD1 3.87Å; V115-I120 HydrophobicContact CG2-CD1 3.66Å; V115-D136 PolarHBondContact N-O 3.2Å; V115-F137 HydrophobicContact CG2-CD1 3.17Å; V115-F137 HydrophobicContact CG2-CE1 3.32Å; V115-F137 HydrophobicContact CG2-CG 4.07Å; V115-F137 HydrophobicContact CG2-CZ 4.33Å; V115-N140 PolarHBondContact O-ND2 3.36Å
116	S	94.3	Very high	83.6	Confident	11 Å²	11	40.2 Å²	40.2	8%	0.077	20%	0.201	C	C	.	.			trans	-60.8	152.3	176.6	59.9	0	0	0	0	111.9	Q94 H95 D114 N118 S138	Q94-S116 CarbonylContact C-O 3.31Å; Q94-S116 WeakPolarHBondContact CA-O 3.33Å; Q94-S116 WeakPolarHBondContact CB-O 3.49Å; Q94-S116 VanDerWaalsContact CB-OG 3.29Å; Q94-S116 WeakPolarHBondContact CB-OG 3.23Å; H95-S116 PolarHBondContact N-O 2.98Å; D114-S116 VanDerWaalsContact OD1-CB 3.25Å; D114-S116 WeakPolarHBondContact OD1-CB 3.49Å; D114-S116 PolarHBondContact OD1-N 3.32Å; D114-S116 PolarHBondContact OD1-OG 3.41Å; S116-N118 PolarHBondContact O-ND2 3.45Å; S116-S138 CarbonylContact C-O 3.46Å; S116-S138 WeakPolarHBondContact CA-O 3.27Å; S116-S138 WeakPolarHBondContact CB-OG 3.38Å
117	H	94.1	Very high	82.9	Confident	71 Å²	71	42 Å²	42	33%	0.329	21%	0.209	S	C	.	.	S	Bend	trans	53.5	65.9	-176.1	-61.2	-90.1	0	0	0	112.8	H95 N96 S138 H139	H95-H117 VanDerWaalsContact CA-O 3.27Å; H95-H117 WeakPolarHBondContact CA-O 3.34Å; H95-H117 HydrophobicContact CB-CB 4.48Å; H95-H117 AromaticContact CE1-CD2 3.19Å; H95-H117 PolarHBondContact CE1-CD2 3.32Å; H95-H117 AromaticContact CE1-CE1 3.95Å; H95-H117 AromaticContact CE1-CG 3.43Å; H95-H117 VanDerWaalsContact CE1-CG 3.43Å; H95-H117 AromaticContact CE1-ND1 3.89Å; H95-H117 AromaticContact CE1-NE2 3.55Å; H95-H117 PolarHBondContact N-O 3.44Å; H95-H117 VanDerWaalsContact ND1-CB 3.33Å; H95-H117 WeakPolarHBondContact ND1-CB 3.23Å; H95-H117 AromaticContact ND1-CD2 3.59Å; H95-H117 AromaticContact ND1-CG 3.35Å; H95-H117 AromaticContact ND1-ND1 3.91Å; H95-H117 AromaticContact NE2-CD2 3.93Å; N96-H117 PolarHBondContact N-O 2.98Å; N96-H117 VanDerWaalsContact N-O 3.14Å; H117-S138 PolarHBondContact N-O 3.21Å; H117-H139 VanDerWaalsContact CA-O 3.28Å; H117-H139 WeakPolarHBondContact CA-O 3.39Å; H117-H139 HydrophobicContact CB-CB 4.33Å; H117-H139 AromaticContact CE1-CD2 3.15Å; H117-H139 PolarHBondContact CE1-CD2 2.86Å; H117-H139 AromaticContact CE1-CE1 3.94Å; H117-H139 AromaticContact CE1-CG 3.33Å; H117-H139 AromaticContact CE1-ND1 3.83Å; H117-H139 AromaticContact CE1-NE2 3.56Å; H117-H139 PolarHBondContact N-O 3.04Å; H117-H139 WeakPolarHBondContact ND1-CB 3.32Å; H117-H139 AromaticContact ND1-CD2 3.78Å; H117-H139 AromaticContact ND1-CG 3.52Å; H117-H139 AromaticContact NE2-CD2 3.31Å; H117-H139 PolarHBondContact NE2-CD2 3.04Å; H117-H139 VanDerWaalsContact NE2-CD2 3.31Å; H117-H139 AromaticContact NE2-CG 3.87Å; H117-H139 AromaticContact NE2-NE2 3.9Å
118	N	93.2	Very high	82.1	Confident	9 Å²	9	43.5 Å²	43.5	5%	0.048	22%	0.219	C	C	.	.	S	Bend	trans	-138.3	-174.4	175.5	-84.8	-80.2	0	0	0	110	L93 N96 N97 I98 V115 S116 I120 H139 N140	L93-N118 PolarHBondContact O-ND2 3.11Å; N96-N118 WeakPolarHBondContact CA-OD1 3.17Å; N96-N118 VanDerWaalsContact CB-OD1 3.23Å; N96-N118 WeakPolarHBondContact CB-OD1 3.48Å; N96-N118 PolarHBondContact O-OD1 3.28Å; N97-N118 PolarHBondContact N-OD1 3.07Å; I98-N118 HydrophobicContact CB-CB 4.43Å; I98-N118 VanDerWaalsContact CB-OD1 3.26Å; I98-N118 WeakPolarHBondContact CB-OD1 3.28Å; I98-N118 VanDerWaalsContact CG1-OD1 3.29Å; I98-N118 WeakPolarHBondContact CG1-OD1 3.36Å; I98-N118 PolarHBondContact N-OD1 3.39Å; V115-N118 PolarHBondContact O-ND2 3.42Å; S116-N118 PolarHBondContact O-ND2 3.45Å; N118-I120 HydrophobicContact CB-CD1 4.19Å; N118-I120 HydrophobicContact CB-CG1 4.09Å; N118-H139 PolarHBondContact N-O 3.33Å; N118-N140 WeakPolarHBondContact CA-OD1 3.32Å; N118-N140 WeakPolarHBondContact CB-OD1 3.42Å; N118-N140 PolarHBondContact O-OD1 3.29Å
119	E	91.4	Very high	81.9	Confident	47 Å²	47	41 Å²	41	22%	0.22	20%	0.202	C	C	.	.			trans	-108	16.6	-176.4	-61.5	-168.6	-131.1	0	0	112.8	N97 I98 E99 S121 R141	N97-E119 PolarHBondContact ND2-OE1 3.1Å; I98-E119 CarbonylContact O-C 3.12Å; I98-E119 PolarHBondContact O-N 3.37Å; E99-E119 HydrophobicContact CG-CB 4.01Å; E119-S121 PolarHBondContact O-N 3.46Å; E119-R141 IonicContact OE2-CZ 3.02Å; E119-R141 IonicContact OE2-NH1 2.67Å; E119-R141 PolarHBondContact OE2-NH1 2.95Å; E119-R141 IonicContact OE2-NH2 2.66Å; E119-R141 PolarHBondContact OE2-NH2 2.75Å
120	I	88.6	Confident	81.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.			trans	-60.1	125.9	-173.6	-54.8	166.1	0	0	0	110.6	I98 I101 V115 N118 N140 R141 I142	I98-I120 WeakPolarHBondContact O-CG1 3.36Å; I98-I120 PolarHBondContact O-N 3.37Å; I101-I120 HydrophobicContact CD1-CD1 4.39Å; I101-I120 HydrophobicContact CD1-CG2 4.26Å; I101-I120 HydrophobicContact CG1-CG2 4.5Å; I101-I120 HydrophobicContact CG2-CD1 3.73Å; I101-I120 HydrophobicContact CG2-CG1 4.21Å; V115-I120 HydrophobicContact CB-CD1 3.87Å; V115-I120 HydrophobicContact CG2-CD1 3.66Å; N118-I120 HydrophobicContact CB-CD1 4.19Å; N118-I120 HydrophobicContact CB-CG1 4.09Å; I120-N140 HydrophobicContact CB-CB 4.42Å; I120-N140 WeakPolarHBondContact CB-OD1 3.37Å; I120-N140 VanDerWaalsContact CG1-OD1 3.29Å; I120-N140 WeakPolarHBondContact CG1-OD1 3.35Å; I120-N140 PolarHBondContact N-OD1 2.86Å; I120-R141 CarbonylContact O-C 3.53Å; I120-R141 WeakPolarHBondContact O-CA 3.32Å; I120-R141 PolarHBondContact O-N 3.18Å; I120-I142 PolarHBondContact O-N 3.43Å
121	S	83.4	Confident	81.6	Confident	42 Å²	42	52.8 Å²	52.8	29%	0.294	25%	0.245	S	C	.	.			trans	-121.6	-33.7	177.3	55.4	0	0	0	0	113.2	E119 F123 P143	E119-S121 PolarHBondContact O-N 3.46Å; S121-F123 PolarHBondContact O-N 3.21Å; S121-P143 VanDerWaalsContact O-CD 3.26Å; S121-P143 WeakPolarHBondContact O-CD 3.49Å
122	N	73.6	Confident	81.6	Confident	94 Å²	94	49.9 Å²	49.9	50%	0.503	23%	0.231	S	C	.	.			trans	-93.9	72.5	-178.8	-68.2	-58.4	0	0	0	111.6	F124	N122-F124 PolarHBondContact O-N 3.29Å
123	F	63.7	Low	81.6	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.035	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.6	-160.9	-168.1	-164.1	0	0	0	116.7	S121 F126 F137 I142 I145 L159	S121-F123 PolarHBondContact O-N 3.21Å; F123-F126 VanDerWaalsContact O-CE1 3.24Å; F123-F126 WeakPolarHBondContact O-CE1 3.38Å; F123-F137 HydrophobicContact CD2-CD1 4.13Å; F123-F137 HydrophobicContact CD2-CE1 4.19Å; F123-F137 HydrophobicContact CD2-CG 4.42Å; F123-F137 HydrophobicContact CD2-CZ 4.5Å; F123-F137 HydrophobicContact CE2-CB 4.08Å; F123-F137 AromaticContact CE2-CD1 3.5Å; F123-F137 HydrophobicContact CE2-CD1 3.5Å; F123-F137 VanDerWaalsContact CE2-CD1 3.5Å; F123-F137 AromaticContact CE2-CD2 3.5Å; F123-F137 HydrophobicContact CE2-CD2 3.5Å; F123-F137 VanDerWaalsContact CE2-CD2 3.5Å; F123-F137 AromaticContact CE2-CE1 3.64Å; F123-F137 HydrophobicContact CE2-CE1 3.64Å; F123-F137 AromaticContact CE2-CE2 3.6Å; F123-F137 HydrophobicContact CE2-CE2 3.6Å; F123-F137 AromaticContact CE2-CG 3.43Å; F123-F137 HydrophobicContact CE2-CG 3.43Å; F123-F137 VanDerWaalsContact CE2-CG 3.43Å; F123-F137 AromaticContact CE2-CZ 3.68Å; F123-F137 HydrophobicContact CE2-CZ 3.68Å; F123-F137 HydrophobicContact CZ-CB 4.26Å; F123-F137 HydrophobicContact CZ-CD1 4.42Å; F123-F137 AromaticContact CZ-CD2 3.73Å; F123-F137 HydrophobicContact CZ-CD2 3.73Å; F123-F137 HydrophobicContact CZ-CE2 4.06Å; F123-F137 AromaticContact CZ-CG 3.92Å; F123-F137 HydrophobicContact CZ-CG 3.92Å; F123-I142 HydrophobicContact CB-CD1 4.36Å; F123-I142 HydrophobicContact CB-CG1 4.08Å; F123-I142 HydrophobicContact CB-CG2 3.84Å; F123-I142 HydrophobicContact CD1-CB 4.43Å; F123-I142 HydrophobicContact CD1-CD1 3.89Å; F123-I142 HydrophobicContact CD1-CG1 4.27Å; F123-I142 HydrophobicContact CD1-CG2 3.38Å; F123-I142 HydrophobicContact CD2-CD1 3.62Å; F123-I142 HydrophobicContact CD2-CG1 4.25Å; F123-I142 HydrophobicContact CE1-CD1 4.01Å; F123-I142 HydrophobicContact CE1-CG2 4.1Å; F123-I142 HydrophobicContact CE2-CD1 3.79Å; F123-I142 HydrophobicContact CG-CD1 3.7Å; F123-I142 HydrophobicContact CG-CG1 3.96Å; F123-I142 HydrophobicContact CG-CG2 3.79Å; F123-I142 HydrophobicContact CZ-CD1 3.99Å; F123-I145 HydrophobicContact CE1-CG1 4.37Å; F123-L159 HydrophobicContact CE1-CD1 3.97Å; F123-L159 HydrophobicContact CE1-CD2 3.62Å; F123-L159 HydrophobicContact CE1-CG 4.38Å; F123-L159 HydrophobicContact CE2-CD2 4.5Å; F123-L159 HydrophobicContact CZ-CD1 4.21Å; F123-L159 HydrophobicContact CZ-CD2 3.6Å; F123-L159 HydrophobicContact CZ-CG 4.31Å
124	F	61	Low	81.7	Confident	24 Å²	24	51.8 Å²	51.8	11%	0.105	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.2	61.9	-172	-68.4	-58.6	0	0	0	114.7	N122 F126 I145 K146 L148 F151	N122-F124 PolarHBondContact O-N 3.29Å; F124-F126 HydrophobicContact CD1-CE1 4.07Å; F124-F126 HydrophobicContact CD1-CE2 4.28Å; F124-F126 AromaticContact CD1-CZ 3.68Å; F124-F126 HydrophobicContact CD1-CZ 3.68Å; F124-F126 HydrophobicContact CE1-CZ 4.03Å; F124-I145 HydrophobicContact CE2-CG2 4.38Å; F124-K146 WeakPolarHBondContact CB-O 3.37Å; F124-K146 WeakPolarHBondContact CD2-O 3.39Å; F124-L148 HydrophobicContact CD2-CD2 4.17Å; F124-L148 HydrophobicContact CD2-CG 4.43Å; F124-L148 HydrophobicContact CE1-CD2 4.05Å; F124-L148 HydrophobicContact CE2-CD2 3.41Å; F124-L148 VanDerWaalsContact CE2-CD2 3.41Å; F124-L148 HydrophobicContact CE2-CG 3.88Å; F124-L148 HydrophobicContact CZ-CD2 3.36Å; F124-L148 HydrophobicContact CZ-CG 4.33Å; F124-F151 HydrophobicContact CD1-CE2 4.13Å; F124-F151 AromaticContact CD1-CZ 3.94Å; F124-F151 HydrophobicContact CD1-CZ 3.94Å; F124-F151 HydrophobicContact CE1-CE1 4.37Å; F124-F151 HydrophobicContact CE1-CE2 4Å; F124-F151 AromaticContact CE1-CZ 3.65Å; F124-F151 HydrophobicContact CE1-CZ 3.65Å
125	Q	59.9	Low	81.6	Confident	160 Å²	160	51.3 Å²	51.3	75%	0.748	24%	0.243	S	C	*	.			trans	-95.9	21.4	169.5	-63.5	-167.1	15.5	0	0	114
126	F	66.4	Low	81.7	Confident	22 Å²	22	52.9 Å²	52.9	10%	0.096	25%	0.251	C	S	.	.	S	Bend	trans	-123.4	163.4	179.4	54.6	-87.1	0	0	0	112.1	I101 N105 F123 F124 L129 F151	I101-F126 HydrophobicContact CD1-CE1 3.58Å; I101-F126 HydrophobicContact CD1-CZ 4.04Å; I101-F126 HydrophobicContact CG1-CD1 4.37Å; I101-F126 HydrophobicContact CG1-CE1 3.8Å; N105-F126 HydrophobicContact CB-CB 3.98Å; F123-F126 VanDerWaalsContact O-CE1 3.24Å; F123-F126 WeakPolarHBondContact O-CE1 3.38Å; F124-F126 HydrophobicContact CD1-CE1 4.07Å; F124-F126 HydrophobicContact CD1-CE2 4.28Å; F124-F126 AromaticContact CD1-CZ 3.68Å; F124-F126 HydrophobicContact CD1-CZ 3.68Å; F124-F126 HydrophobicContact CE1-CZ 4.03Å; F126-L129 HydrophobicContact CD2-CG 4.44Å; F126-L129 HydrophobicContact CE2-CD1 4.07Å; F126-L129 HydrophobicContact CE2-CG 4.14Å; F126-F151 HydrophobicContact CE2-CZ 4.15Å
127	Q	68	Low	81.6	Confident	135 Å²	135	52.5 Å²	52.5	63%	0.631	25%	0.248	S	C	*	.			trans	-63.9	141.8	178.8	-69.5	-72.5	-57.8	0	0	111.6	N105 L129	N105-Q127 VanDerWaalsContact OD1-CB 3.28Å; N105-Q127 WeakPolarHBondContact OD1-CB 3.28Å; N105-Q127 VanDerWaalsContact OD1-CG 3.26Å; N105-Q127 WeakPolarHBondContact OD1-CG 3.26Å; N105-Q127 PolarHBondContact OD1-N 3.5Å; Q127-L129 PolarHBondContact O-N 2.59Å
128	P	69.1	Low	81.7	Confident	32 Å²	32	49.6 Å²	49.6	21%	0.208	24%	0.236	C	C	.	.			trans	-65.3	126.3	-174.4	24.7	-34.2	0	0	0	112.5	R130 F151	P128-R130 PolarHBondContact O-N 2.82Å; P128-F151 HydrophobicContact CB-CD2 3.74Å; P128-F151 HydrophobicContact CB-CE2 3.6Å; P128-F151 HydrophobicContact CB-CG 4.46Å; P128-F151 HydrophobicContact CB-CZ 4.21Å
129	L	79.5	Confident	81.7	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	25%	0.248	C	C	.	.			trans	-76.5	86.4	-176.7	-60	176.3	0	0	0	110.5	L110 F126 Q127 Y131 L132 F151	L110-L129 HydrophobicContact CD2-CD1 4.11Å; F126-L129 HydrophobicContact CD2-CG 4.44Å; F126-L129 HydrophobicContact CE2-CD1 4.07Å; F126-L129 HydrophobicContact CE2-CG 4.14Å; Q127-L129 PolarHBondContact O-N 2.59Å; L129-Y131 PolarHBondContact O-N 2.91Å; L129-L132 HydrophobicContact CB-CB 4.02Å; L129-L132 HydrophobicContact CB-CD2 4.43Å; L129-L132 HydrophobicContact CD1-CD2 4.39Å; L129-L132 VanDerWaalsContact O-CB 3.26Å; L129-L132 WeakPolarHBondContact O-CB 3.12Å; L129-L132 PolarHBondContact O-N 3.34Å; L129-F151 HydrophobicContact CB-CD1 4.34Å; L129-F151 HydrophobicContact CB-CE1 3.81Å; L129-F151 HydrophobicContact CG-CE1 4.28Å
130	R	81.5	Confident	81.8	Confident	170 Å²	170	50.7 Å²	50.7	64%	0.642	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.9	-168.9	-61.1	-176.2	-177.4	-180	0.2	115.6	P128 C153	P128-R130 PolarHBondContact O-N 2.82Å; R130-C153 WeakPolarHBondContact O-CB 3.32Å; R130-C153 PolarHBondContact O-SG 2.93Å
131	Y	85.8	Confident	82	Confident	131 Å²	131	56.9 Å²	56.9	51%	0.514	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-3.3	-178.1	-63.3	-71.2	0	0	0	114.1	P108 H109 L110 L129 Q133	P108-Y131 WeakPolarHBondContact O-CD2 3.43Å; H109-Y131 AromaticContact ND1-CE2 3.97Å; L110-Y131 CarbonylContact O-C 3.17Å; L110-Y131 VanDerWaalsContact O-C 3.31Å; L129-Y131 PolarHBondContact O-N 2.91Å; Y131-Q133 PolarHBondContact O-N 2.91Å
132	L	89.3	Confident	82.3	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	25%	0.25	C	S	.	.			trans	-65.1	124.4	-178.7	-166.9	67.4	0	0	0	110	L110 L113 L129 A135 F151 C153 L154	L110-L132 HydrophobicContact CD2-CD1 4.25Å; L110-L132 HydrophobicContact CG-CD1 4.21Å; L110-L132 VanDerWaalsContact O-CA 3.28Å; L110-L132 WeakPolarHBondContact O-CA 3.25Å; L110-L132 PolarHBondContact O-N 2.91Å; L110-L132 VanDerWaalsContact O-N 3.15Å; L113-L132 HydrophobicContact CB-CD1 3.89Å; L129-L132 HydrophobicContact CB-CB 4.02Å; L129-L132 HydrophobicContact CB-CD2 4.43Å; L129-L132 HydrophobicContact CD1-CD2 4.39Å; L129-L132 VanDerWaalsContact O-CB 3.26Å; L129-L132 WeakPolarHBondContact O-CB 3.12Å; L129-L132 PolarHBondContact O-N 3.34Å; L132-A135 HydrophobicContact CD2-CB 3.87Å; L132-A135 HydrophobicContact CG-CB 4.34Å; L132-F151 HydrophobicContact CB-CD1 4.36Å; L132-F151 HydrophobicContact CD2-CD1 3.98Å; L132-F151 HydrophobicContact CD2-CE1 3.87Å; L132-C153 CarbonylContact O-C 3.36Å; L132-C153 VanDerWaalsContact O-C 3.27Å; L132-L154 HydrophobicContact CD2-CD1 4.39Å; L132-L154 HydrophobicContact CG-CD1 4.19Å; L132-L154 VanDerWaalsContact O-CA 3.22Å; L132-L154 WeakPolarHBondContact O-CA 3.36Å; L132-L154 PolarHBondContact O-N 3.3Å; L132-L154 VanDerWaalsContact O-N 3.16Å
133	Q	91.6	Very high	82.9	Confident	61 Å²	61	53.7 Å²	53.7	29%	0.285	25%	0.247	S	C	.	.			trans	-113.8	-29.7	-178.6	-70.8	-176.2	76.1	0	0	112.6	I111 Y131 C153 R155 K156	I111-Q133 HydrophobicContact CG2-CB 4.07Å; I111-Q133 HydrophobicContact CG2-CG 4.22Å; I111-Q133 PolarHBondContact O-N 2.84Å; Y131-Q133 PolarHBondContact O-N 2.91Å; Q133-C153 HydrophobicContact CG-CB 4.29Å; Q133-R155 HydrophobicContact CB-CG 4.35Å; Q133-R155 WeakPolarHBondContact O-CA 3.32Å; Q133-R155 WeakPolarHBondContact O-CB 3.45Å; Q133-R155 PolarHBondContact O-N 2.95Å; Q133-K156 PolarHBondContact O-N 2.97Å
134	V	94.1	Very high	83.9	Confident	48 Å²	48	55.4 Å²	55.4	29%	0.291	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.7	176.8	-179.3	0	0	0	0	108.5	I111 Y112 L113 K156	I111-V134 PolarHBondContact O-N 3.39Å; I111-V134 VanDerWaalsContact O-N 3.13Å; Y112-V134 WeakPolarHBondContact CA-O 3.46Å; Y112-V134 HydrophobicContact CD2-CB 3.79Å; Y112-V134 HydrophobicContact CD2-CG1 3.75Å; Y112-V134 HydrophobicContact CD2-CG2 4.49Å; Y112-V134 HydrophobicContact CE2-CB 4.33Å; Y112-V134 HydrophobicContact CE2-CG1 3.76Å; L113-V134 PolarHBondContact N-O 3.08Å; L113-V134 VanDerWaalsContact N-O 3.07Å; V134-K156 WeakPolarHBondContact CA-O 3.41Å; V134-K156 HydrophobicContact CG1-CB 4.37Å; V134-K156 HydrophobicContact CG2-CB 4.34Å
135	A	92.4	Very high	84.9	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	128.4	175.6	0	0	0	0	0	111.1	L113 L132 F137 L154 K156 L157 N158	L113-A135 CarbonylContact O-C 3.46Å; L113-A135 WeakPolarHBondContact O-CA 3.43Å; L132-A135 HydrophobicContact CD2-CB 3.87Å; L132-A135 HydrophobicContact CG-CB 4.34Å; A135-F137 HydrophobicContact CB-CD2 4.04Å; A135-F137 HydrophobicContact CB-CE2 3.66Å; A135-L154 HydrophobicContact CB-CD1 4.07Å; A135-K156 PolarHBondContact N-O 3.25Å; A135-K156 VanDerWaalsContact N-O 3.1Å; A135-L157 HydrophobicContact CB-CD1 4.12Å; A135-L157 WeakPolarHBondContact O-CA 3.36Å; A135-N158 PolarHBondContact O-N 3.02Å
136	D	94.4	Very high	85.6	Confident	34 Å²	34	51.8 Å²	51.8	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.3	171.4	-153.1	-47.2	0	0	0	110.7	L113 D114 V115 S138 N158	L113-D136 PolarHBondContact O-N 3.4Å; D114-D136 HydrophobicContact CB-CB 4.42Å; V115-D136 PolarHBondContact N-O 3.2Å; D136-S138 VanDerWaalsContact OD1-CB 3.25Å; D136-S138 WeakPolarHBondContact OD1-CB 3.3Å; D136-S138 PolarHBondContact OD1-N 3.05Å; D136-S138 PolarHBondContact OD1-OG 2.78Å; D136-N158 HydrophobicContact CB-CB 4.39Å; D136-N158 VanDerWaalsContact CG-ND2 3.33Å; D136-N158 PolarHBondContact OD1-ND2 3.24Å; D136-N158 WeakPolarHBondContact OD2-CB 3.34Å; D136-N158 PolarHBondContact OD2-ND2 2.73Å
137	F	92.8	Very high	85.7	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.013	27%	0.265	C	S	.	.			trans	-126.8	22.1	177.5	-67.4	-83.6	0	0	0	110.7	I101 L113 V115 F123 A135 N140 I142 L157 N158 L159 N162	I101-F137 HydrophobicContact CD1-CE1 3.86Å; L113-F137 HydrophobicContact CD2-CE1 4.01Å; L113-F137 HydrophobicContact CD2-CE2 4.23Å; L113-F137 HydrophobicContact CD2-CZ 3.46Å; L113-F137 VanDerWaalsContact CD2-CZ 3.46Å; L113-F137 HydrophobicContact CG-CZ 4.39Å; V115-F137 HydrophobicContact CG2-CD1 3.17Å; V115-F137 HydrophobicContact CG2-CE1 3.32Å; V115-F137 HydrophobicContact CG2-CG 4.07Å; V115-F137 HydrophobicContact CG2-CZ 4.33Å; F123-F137 HydrophobicContact CD2-CD1 4.13Å; F123-F137 HydrophobicContact CD2-CE1 4.19Å; F123-F137 HydrophobicContact CD2-CG 4.42Å; F123-F137 HydrophobicContact CD2-CZ 4.5Å; F123-F137 HydrophobicContact CE2-CB 4.08Å; F123-F137 AromaticContact CE2-CD1 3.5Å; F123-F137 HydrophobicContact CE2-CD1 3.5Å; F123-F137 VanDerWaalsContact CE2-CD1 3.5Å; F123-F137 AromaticContact CE2-CD2 3.5Å; F123-F137 HydrophobicContact CE2-CD2 3.5Å; F123-F137 VanDerWaalsContact CE2-CD2 3.5Å; F123-F137 AromaticContact CE2-CE1 3.64Å; F123-F137 HydrophobicContact CE2-CE1 3.64Å; F123-F137 AromaticContact CE2-CE2 3.6Å; F123-F137 HydrophobicContact CE2-CE2 3.6Å; F123-F137 AromaticContact CE2-CG 3.43Å; F123-F137 HydrophobicContact CE2-CG 3.43Å; F123-F137 VanDerWaalsContact CE2-CG 3.43Å; F123-F137 AromaticContact CE2-CZ 3.68Å; F123-F137 HydrophobicContact CE2-CZ 3.68Å; F123-F137 HydrophobicContact CZ-CB 4.26Å; F123-F137 HydrophobicContact CZ-CD1 4.42Å; F123-F137 AromaticContact CZ-CD2 3.73Å; F123-F137 HydrophobicContact CZ-CD2 3.73Å; F123-F137 HydrophobicContact CZ-CE2 4.06Å; F123-F137 AromaticContact CZ-CG 3.92Å; F123-F137 HydrophobicContact CZ-CG 3.92Å; A135-F137 HydrophobicContact CB-CD2 4.04Å; A135-F137 HydrophobicContact CB-CE2 3.66Å; F137-N140 PolarHBondContact O-ND2 2.83Å; F137-I142 HydrophobicContact CB-CD1 3.92Å; F137-L157 HydrophobicContact CD2-CD1 4.17Å; F137-N158 PolarHBondContact N-O 2.88Å; F137-L159 HydrophobicContact CB-CD2 3.8Å; F137-N162 PolarHBondContact O-ND2 3.24Å
138	S	95.1	Very high	85.8	Confident	10 Å²	10	50 Å²	50	7%	0.07	24%	0.235	C	C	.	.			trans	-65.5	158.3	179.7	59.3	0	0	0	0	112.7	S116 H117 D136 N140 N158 D160	S116-S138 CarbonylContact C-O 3.46Å; S116-S138 WeakPolarHBondContact CA-O 3.27Å; S116-S138 WeakPolarHBondContact CB-OG 3.38Å; H117-S138 PolarHBondContact N-O 3.21Å; D136-S138 VanDerWaalsContact OD1-CB 3.25Å; D136-S138 WeakPolarHBondContact OD1-CB 3.3Å; D136-S138 PolarHBondContact OD1-N 3.05Å; D136-S138 PolarHBondContact OD1-OG 2.78Å; S138-N140 PolarHBondContact O-N 2.85Å; S138-N140 PolarHBondContact O-ND2 2.92Å; S138-N158 PolarHBondContact OG-ND2 3Å; S138-D160 CarbonylContact C-O 3.35Å; S138-D160 WeakPolarHBondContact CA-O 3.13Å; S138-D160 WeakPolarHBondContact CB-O 3.5Å
139	H	94.9	Very high	85.6	Confident	68 Å²	68	51.7 Å²	51.7	32%	0.315	25%	0.252	S	S	.	.	S	Bend	trans	51.3	55.6	-177.5	-67.1	-81.2	0	0	0	113.1	H117 N118 D160 Y161	H117-H139 VanDerWaalsContact CA-O 3.28Å; H117-H139 WeakPolarHBondContact CA-O 3.39Å; H117-H139 HydrophobicContact CB-CB 4.33Å; H117-H139 AromaticContact CE1-CD2 3.15Å; H117-H139 PolarHBondContact CE1-CD2 2.86Å; H117-H139 AromaticContact CE1-CE1 3.94Å; H117-H139 AromaticContact CE1-CG 3.33Å; H117-H139 AromaticContact CE1-ND1 3.83Å; H117-H139 AromaticContact CE1-NE2 3.56Å; H117-H139 PolarHBondContact N-O 3.04Å; H117-H139 WeakPolarHBondContact ND1-CB 3.32Å; H117-H139 AromaticContact ND1-CD2 3.78Å; H117-H139 AromaticContact ND1-CG 3.52Å; H117-H139 AromaticContact NE2-CD2 3.31Å; H117-H139 PolarHBondContact NE2-CD2 3.04Å; H117-H139 VanDerWaalsContact NE2-CD2 3.31Å; H117-H139 AromaticContact NE2-CG 3.87Å; H117-H139 AromaticContact NE2-NE2 3.9Å; N118-H139 PolarHBondContact N-O 3.33Å; H139-D160 PolarHBondContact N-O 2.77Å; H139-Y161 WeakPolarHBondContact CA-O 3.49Å; H139-Y161 AromaticContact CD2-CD2 3.95Å; H139-Y161 AromaticContact CE1-CD1 3.83Å; H139-Y161 AromaticContact CE1-CD2 3.19Å; H139-Y161 WeakPolarHBondContact CE1-CD2 3.29Å; H139-Y161 AromaticContact CE1-CE2 3.62Å; H139-Y161 AromaticContact CE1-CG 3.3Å; H139-Y161 WeakPolarHBondContact ND1-CB 3.48Å; H139-Y161 AromaticContact ND1-CD2 3.84Å; H139-Y161 AromaticContact ND1-CG 3.59Å; H139-Y161 AromaticContact NE2-CD2 3.26Å; H139-Y161 VanDerWaalsContact NE2-CD2 3.26Å; H139-Y161 WeakPolarHBondContact NE2-CD2 3.28Å; H139-Y161 AromaticContact NE2-CE2 3.61Å; H139-Y161 AromaticContact NE2-CG 3.84Å
140	N	93.5	Very high	85.1	Confident	12 Å²	12	52.3 Å²	52.3	6%	0.064	26%	0.259	C	S	.	.	S	Bend	trans	-128.7	-170.9	176.1	-86.2	-84	0	0	0	110.1	V115 N118 I120 F137 S138 I142 Y161 N162	V115-N140 PolarHBondContact O-ND2 3.36Å; N118-N140 WeakPolarHBondContact CA-OD1 3.32Å; N118-N140 WeakPolarHBondContact CB-OD1 3.42Å; N118-N140 PolarHBondContact O-OD1 3.29Å; I120-N140 HydrophobicContact CB-CB 4.42Å; I120-N140 WeakPolarHBondContact CB-OD1 3.37Å; I120-N140 VanDerWaalsContact CG1-OD1 3.29Å; I120-N140 WeakPolarHBondContact CG1-OD1 3.35Å; I120-N140 PolarHBondContact N-OD1 2.86Å; F137-N140 PolarHBondContact O-ND2 2.83Å; S138-N140 PolarHBondContact O-N 2.85Å; S138-N140 PolarHBondContact O-ND2 2.92Å; N140-I142 HydrophobicContact CB-CD1 4.21Å; N140-I142 HydrophobicContact CB-CG1 4.24Å; N140-Y161 PolarHBondContact N-O 3.49Å; N140-N162 WeakPolarHBondContact CA-OD1 3.38Å; N140-N162 WeakPolarHBondContact CB-OD1 3.49Å; N140-N162 PolarHBondContact O-OD1 2.73Å
141	R	92.1	Very high	85	Confident	130 Å²	130	44.4 Å²	44.4	49%	0.491	23%	0.23	S	C	.	.			trans	-112.4	24.6	-177.7	-62.6	-174.4	-177.2	140.4	9.1	113.2	E119 I120 P143 N162	E119-R141 IonicContact OE2-CZ 3.02Å; E119-R141 IonicContact OE2-NH1 2.67Å; E119-R141 PolarHBondContact OE2-NH1 2.95Å; E119-R141 IonicContact OE2-NH2 2.66Å; E119-R141 PolarHBondContact OE2-NH2 2.75Å; I120-R141 CarbonylContact O-C 3.53Å; I120-R141 WeakPolarHBondContact O-CA 3.32Å; I120-R141 PolarHBondContact O-N 3.18Å; R141-P143 WeakPolarHBondContact O-CD 3.14Å; R141-N162 PolarHBondContact N-OD1 3.43Å
142	I	89.9	Confident	84.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.			trans	-65.2	123.1	-174.1	-62.1	164.2	0	0	0	110.2	I120 F123 F137 N140 D144 L159 N162 C163 L164	I120-I142 PolarHBondContact O-N 3.43Å; F123-I142 HydrophobicContact CB-CD1 4.36Å; F123-I142 HydrophobicContact CB-CG1 4.08Å; F123-I142 HydrophobicContact CB-CG2 3.84Å; F123-I142 HydrophobicContact CD1-CB 4.43Å; F123-I142 HydrophobicContact CD1-CD1 3.89Å; F123-I142 HydrophobicContact CD1-CG1 4.27Å; F123-I142 HydrophobicContact CD1-CG2 3.38Å; F123-I142 HydrophobicContact CD2-CD1 3.62Å; F123-I142 HydrophobicContact CD2-CG1 4.25Å; F123-I142 HydrophobicContact CE1-CD1 4.01Å; F123-I142 HydrophobicContact CE1-CG2 4.1Å; F123-I142 HydrophobicContact CE2-CD1 3.79Å; F123-I142 HydrophobicContact CG-CD1 3.7Å; F123-I142 HydrophobicContact CG-CG1 3.96Å; F123-I142 HydrophobicContact CG-CG2 3.79Å; F123-I142 HydrophobicContact CZ-CD1 3.99Å; F137-I142 HydrophobicContact CB-CD1 3.92Å; N140-I142 HydrophobicContact CB-CD1 4.21Å; N140-I142 HydrophobicContact CB-CG1 4.24Å; I142-D144 WeakPolarHBondContact CG2-O 3.32Å; I142-L159 HydrophobicContact CD1-CD2 3.63Å; I142-N162 HydrophobicContact CB-CB 4.27Å; I142-N162 VanDerWaalsContact CB-OD1 3.25Å; I142-N162 WeakPolarHBondContact CB-OD1 3.49Å; I142-N162 WeakPolarHBondContact CG1-OD1 3.47Å; I142-N162 PolarHBondContact N-OD1 2.88Å; I142-C163 CarbonylContact O-C 3.57Å; I142-C163 VanDerWaalsContact O-CA 3.3Å; I142-C163 WeakPolarHBondContact O-CA 3.3Å; I142-C163 WeakPolarHBondContact O-CB 3.35Å; I142-C163 PolarHBondContact O-N 2.99Å; I142-L164 HydrophobicContact CG2-CD2 3.77Å; I142-L164 PolarHBondContact O-N 3.03Å
143	P	86.6	Confident	84.7	Confident	68 Å²	68	42.6 Å²	42.6	44%	0.442	24%	0.235	S	C	.	.			trans	-93.9	-24.2	-178.4	35.3	-34	0	0	0	114.1	S121 R141	S121-P143 VanDerWaalsContact O-CD 3.26Å; S121-P143 WeakPolarHBondContact O-CD 3.49Å; R141-P143 WeakPolarHBondContact O-CD 3.14Å
144	D	84.9	Confident	84.7	Confident	44 Å²	44	39.9 Å²	39.9	24%	0.235	22%	0.222	C	C	.	.			trans	-157.8	154.7	-169.9	-160.4	-19.3	0	0	0	110.5	I142 K146 S168	I142-D144 WeakPolarHBondContact CG2-O 3.32Å; D144-K146 VanDerWaalsContact CG-CE 3.46Å; D144-K146 WeakPolarHBondContact OD2-CE 3.48Å; D144-K146 IonicContact OD2-NZ 2.63Å; D144-K146 PolarHBondContact OD2-NZ 2.57Å; D144-S168 PolarHBondContact OD1-OG 3.48Å; D144-S168 VanDerWaalsContact OD1-OG 3.1Å
145	I	81.1	Confident	84.7	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.227	C	C	.	.			trans	-109.8	116.2	178	-57.3	179.8	0	0	0	108.7	F123 F124 L148 L159 L164 S168	F123-I145 HydrophobicContact CE1-CG1 4.37Å; F124-I145 HydrophobicContact CE2-CG2 4.38Å; I145-L148 HydrophobicContact CG2-CD1 3.33Å; I145-L148 HydrophobicContact CG2-CG 3.79Å; I145-L159 HydrophobicContact CD1-CD1 3.73Å; I145-L159 HydrophobicContact CG1-CD1 4.39Å; I145-L164 HydrophobicContact CD1-CD1 3.94Å; I145-L164 HydrophobicContact CD1-CD2 4.41Å; I145-L164 HydrophobicContact CG1-CD1 4.16Å; I145-L164 HydrophobicContact CG1-CD2 3.74Å; I145-S168 PolarHBondContact O-OG 3Å
146	K	75.3	Confident	84.8	Confident	107 Å²	107	46.6 Å²	46.6	47%	0.465	25%	0.245	S	C	.	.			trans	-134.2	159.4	179.7	-65.1	-171.9	173.8	149.4	0	112	F124 D144 L148	F124-K146 WeakPolarHBondContact CB-O 3.37Å; F124-K146 WeakPolarHBondContact CD2-O 3.39Å; D144-K146 VanDerWaalsContact CG-CE 3.46Å; D144-K146 WeakPolarHBondContact OD2-CE 3.48Å; D144-K146 IonicContact OD2-NZ 2.63Å; D144-K146 PolarHBondContact OD2-NZ 2.57Å; K146-L148 PolarHBondContact O-N 3.28Å
147	D	68.1	Low	84.8	Confident	119 Å²	119	45.3 Å²	45.3	64%	0.636	24%	0.237	S	C	*	.			trans	55.7	26.6	169.4	-59.5	-56.7	0	0	0	115.8	A149	D147-A149 PolarHBondContact O-N 3.06Å
148	L	70.4	Confident	84.9	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.245	C	C	.	.			trans	-64.8	2.3	170	-79.1	-175.4	0	0	0	114.6	F124 I145 K146 G150 F151 L170	F124-L148 HydrophobicContact CD2-CD2 4.17Å; F124-L148 HydrophobicContact CD2-CG 4.43Å; F124-L148 HydrophobicContact CE1-CD2 4.05Å; F124-L148 HydrophobicContact CE2-CD2 3.41Å; F124-L148 VanDerWaalsContact CE2-CD2 3.41Å; F124-L148 HydrophobicContact CE2-CG 3.88Å; F124-L148 HydrophobicContact CZ-CD2 3.36Å; F124-L148 HydrophobicContact CZ-CG 4.33Å; I145-L148 HydrophobicContact CG2-CD1 3.33Å; I145-L148 HydrophobicContact CG2-CG 3.79Å; K146-L148 PolarHBondContact O-N 3.28Å; L148-G150 PolarHBondContact O-N 3.27Å; L148-F151 HydrophobicContact CB-CD2 4.44Å; L148-F151 HydrophobicContact CD2-CD2 3.52Å; L148-F151 HydrophobicContact CD2-CE2 3.81Å; L148-F151 HydrophobicContact CD2-CG 4.09Å; L148-F151 PolarHBondContact O-N 3.13Å; L148-L170 HydrophobicContact CD1-CD2 3.49Å; L148-L170 VanDerWaalsContact CD1-CD2 3.49Å; L148-L170 HydrophobicContact CD1-CG 4.08Å
149	A	64.9	Low	84.8	Confident	68 Å²	68	46.2 Å²	46.2	56%	0.562	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	69.2	-178.5	0	0	0	0	0	112.9	D147	D147-A149 PolarHBondContact O-N 3.06Å
150	G	68.8	Low	84.9	Confident	19 Å²	19	44.3 Å²	44.3	20%	0.196	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	164	-13.1	177.8	0	0	0	0	0	115.3	L148 C152	L148-G150 PolarHBondContact O-N 3.27Å; G150-C152 PolarHBondContact O-N 3.24Å
151	F	79.1	Confident	85	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.018	25%	0.25	C	S	.	.			trans	-76.6	44.5	175.8	-65.6	-94.5	0	0	0	112.4	F124 F126 P128 L129 L132 L148 C153 L154	F124-F151 HydrophobicContact CD1-CE2 4.13Å; F124-F151 AromaticContact CD1-CZ 3.94Å; F124-F151 HydrophobicContact CD1-CZ 3.94Å; F124-F151 HydrophobicContact CE1-CE1 4.37Å; F124-F151 HydrophobicContact CE1-CE2 4Å; F124-F151 AromaticContact CE1-CZ 3.65Å; F124-F151 HydrophobicContact CE1-CZ 3.65Å; F126-F151 HydrophobicContact CE2-CZ 4.15Å; P128-F151 HydrophobicContact CB-CD2 3.74Å; P128-F151 HydrophobicContact CB-CE2 3.6Å; P128-F151 HydrophobicContact CB-CG 4.46Å; P128-F151 HydrophobicContact CB-CZ 4.21Å; L129-F151 HydrophobicContact CB-CD1 4.34Å; L129-F151 HydrophobicContact CB-CE1 3.81Å; L129-F151 HydrophobicContact CG-CE1 4.28Å; L132-F151 HydrophobicContact CB-CD1 4.36Å; L132-F151 HydrophobicContact CD2-CD1 3.98Å; L132-F151 HydrophobicContact CD2-CE1 3.87Å; L148-F151 HydrophobicContact CB-CD2 4.44Å; L148-F151 HydrophobicContact CD2-CD2 3.52Å; L148-F151 HydrophobicContact CD2-CE2 3.81Å; L148-F151 HydrophobicContact CD2-CG 4.09Å; L148-F151 PolarHBondContact O-N 3.13Å; F151-C153 PolarHBondContact O-N 2.88Å; F151-C153 VanDerWaalsContact O-N 3.16Å; F151-L154 HydrophobicContact CB-CB 4.26Å; F151-L154 HydrophobicContact CB-CD2 4.46Å; F151-L154 VanDerWaalsContact O-CB 3.25Å; F151-L154 WeakPolarHBondContact O-CB 3.3Å; F151-L154 PolarHBondContact O-N 3.35Å
152	C	81.9	Confident	85.1	Confident	57 Å²	57	43 Å²	43	39%	0.385	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.3	-171.5	56.8	0	0	0	0	114.7	G150 M175	G150-C152 PolarHBondContact O-N 3.24Å; C152-M175 WeakPolarHBondContact O-CB 3.38Å; C152-M175 VanDerWaalsContact O-CG 3.24Å; C152-M175 WeakPolarHBondContact O-CG 3.43Å
153	C	87.3	Confident	85.2	Confident	37 Å²	37	45.2 Å²	45.2	25%	0.25	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.9	176.4	-63.5	0	0	0	0	114.3	R130 L132 Q133 F151 R155	R130-C153 WeakPolarHBondContact O-CB 3.32Å; R130-C153 PolarHBondContact O-SG 2.93Å; L132-C153 CarbonylContact O-C 3.36Å; L132-C153 VanDerWaalsContact O-C 3.27Å; Q133-C153 HydrophobicContact CG-CB 4.29Å; F151-C153 PolarHBondContact O-N 2.88Å; F151-C153 VanDerWaalsContact O-N 3.16Å; C153-R155 WeakPolarHBondContact O-CG 3.36Å; C153-R155 PolarHBondContact O-N 3.22Å
154	L	90.6	Very high	85.4	Confident	4 Å²	4	42 Å²	42	2%	0.021	22%	0.224	C	C	.	.			trans	-65.3	123.7	-173.4	-169.2	65.2	0	0	0	110.8	L132 A135 F151 L157 M175 L176	L132-L154 HydrophobicContact CD2-CD1 4.39Å; L132-L154 HydrophobicContact CG-CD1 4.19Å; L132-L154 VanDerWaalsContact O-CA 3.22Å; L132-L154 WeakPolarHBondContact O-CA 3.36Å; L132-L154 PolarHBondContact O-N 3.3Å; L132-L154 VanDerWaalsContact O-N 3.16Å; A135-L154 HydrophobicContact CB-CD1 4.07Å; F151-L154 HydrophobicContact CB-CB 4.26Å; F151-L154 HydrophobicContact CB-CD2 4.46Å; F151-L154 VanDerWaalsContact O-CB 3.25Å; F151-L154 WeakPolarHBondContact O-CB 3.3Å; F151-L154 PolarHBondContact O-N 3.35Å; L154-L157 HydrophobicContact CD2-CB 4.13Å; L154-L157 HydrophobicContact CD2-CD1 4.43Å; L154-L157 HydrophobicContact CD2-CD2 4.15Å; L154-L157 HydrophobicContact CD2-CG 4.48Å; L154-M175 CarbonylContact O-C 3Å; L154-L176 HydrophobicContact CD2-CD1 4.38Å; L154-L176 HydrophobicContact CG-CD1 4.12Å; L154-L176 WeakPolarHBondContact O-CA 3.44Å; L154-L176 PolarHBondContact O-N 2.97Å
155	R	93.8	Very high	85.6	Confident	101 Å²	101	42.8 Å²	42.8	38%	0.381	23%	0.233	S	C	.	.			trans	-108.5	-37.1	-176.1	-58.9	-176.2	177.5	-82	3.3	113.2	Q133 C153 T177 H178	Q133-R155 HydrophobicContact CB-CG 4.35Å; Q133-R155 WeakPolarHBondContact O-CA 3.32Å; Q133-R155 WeakPolarHBondContact O-CB 3.45Å; Q133-R155 PolarHBondContact O-N 2.95Å; C153-R155 WeakPolarHBondContact O-CG 3.36Å; C153-R155 PolarHBondContact O-N 3.22Å; R155-T177 PolarHBondContact O-N 3.16Å; R155-T177 PolarHBondContact O-OG1 3.36Å; R155-H178 PolarHBondContact O-N 3.24Å; R155-H178 VanDerWaalsContact O-N 3.1Å
156	K	95.4	Very high	85.8	Confident	92 Å²	92	47.7 Å²	47.7	40%	0.4	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131	177.8	-58.9	-155.3	171.2	-149.6	0	109.9	Q133 V134 A135 H178	Q133-K156 PolarHBondContact O-N 2.97Å; V134-K156 WeakPolarHBondContact CA-O 3.41Å; V134-K156 HydrophobicContact CG1-CB 4.37Å; V134-K156 HydrophobicContact CG2-CB 4.34Å; A135-K156 PolarHBondContact N-O 3.25Å; A135-K156 VanDerWaalsContact N-O 3.1Å; K156-H178 WeakPolarHBondContact CA-O 3.43Å; K156-H178 HydrophobicContact CB-CB 4.45Å; K156-H178 HydrophobicContact CD-CB 4.23Å; K156-H178 VanDerWaalsContact CE-CE1 3.48Å; K156-H178 WeakPolarHBondContact CE-CE1 3.27Å; K156-H178 WeakPolarHBondContact CE-NE2 3.47Å; K156-H178 HydrophobicContact CG-CB 4Å; K156-H178 PolarHBondContact NZ-CD2 3.44Å; K156-H178 PolarHBondContact NZ-NE2 3.36Å; K156-H178 VanDerWaalsContact NZ-NE2 3.12Å
157	L	93.8	Very high	86.1	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.2	174.6	178.4	58.3	0	0	0	109.2	A135 F137 L154 L159 L170 L176 H178 L179 S180	A135-L157 HydrophobicContact CB-CD1 4.12Å; A135-L157 WeakPolarHBondContact O-CA 3.36Å; F137-L157 HydrophobicContact CD2-CD1 4.17Å; L154-L157 HydrophobicContact CD2-CB 4.13Å; L154-L157 HydrophobicContact CD2-CD1 4.43Å; L154-L157 HydrophobicContact CD2-CD2 4.15Å; L154-L157 HydrophobicContact CD2-CG 4.48Å; L157-L159 HydrophobicContact CD1-CD1 4.14Å; L157-L159 HydrophobicContact CD1-CG 4.2Å; L157-L159 HydrophobicContact CD2-CD1 3.77Å; L157-L159 HydrophobicContact CG-CD1 3.9Å; L157-L159 HydrophobicContact CG-CG 4.25Å; L157-L170 HydrophobicContact CD2-CD2 3.95Å; L157-L176 HydrophobicContact CB-CD1 3.98Å; L157-H178 PolarHBondContact N-O 3.21Å; L157-H178 VanDerWaalsContact N-O 3.15Å; L157-L179 HydrophobicContact CB-CD1 4.12Å; L157-L179 HydrophobicContact CD2-CD1 4.06Å; L157-L179 HydrophobicContact CG-CD1 4.17Å; L157-S180 PolarHBondContact O-N 2.86Å
158	N	95.4	Very high	86.5	Confident	33 Å²	33	37.4 Å²	37.4	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.1	170.9	-177	8.5	0	0	0	110	A135 D136 F137 S138 D160	A135-N158 PolarHBondContact O-N 3.02Å; D136-N158 HydrophobicContact CB-CB 4.39Å; D136-N158 VanDerWaalsContact CG-ND2 3.33Å; D136-N158 PolarHBondContact OD1-ND2 3.24Å; D136-N158 WeakPolarHBondContact OD2-CB 3.34Å; D136-N158 PolarHBondContact OD2-ND2 2.73Å; F137-N158 PolarHBondContact N-O 2.88Å; S138-N158 PolarHBondContact OG-ND2 3Å; N158-D160 WeakPolarHBondContact OD1-CB 3.35Å; N158-D160 PolarHBondContact OD1-N 2.91Å; N158-D160 PolarHBondContact OD1-OD1 3.47Å
159	L	93.7	Very high	86.7	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.			trans	-133.2	21.4	-179.7	-85.7	165.3	0	0	0	111.9	F123 F137 I142 I145 L157 N162 L164 S180 L181 N184	F123-L159 HydrophobicContact CE1-CD1 3.97Å; F123-L159 HydrophobicContact CE1-CD2 3.62Å; F123-L159 HydrophobicContact CE1-CG 4.38Å; F123-L159 HydrophobicContact CE2-CD2 4.5Å; F123-L159 HydrophobicContact CZ-CD1 4.21Å; F123-L159 HydrophobicContact CZ-CD2 3.6Å; F123-L159 HydrophobicContact CZ-CG 4.31Å; F137-L159 HydrophobicContact CB-CD2 3.8Å; I142-L159 HydrophobicContact CD1-CD2 3.63Å; I145-L159 HydrophobicContact CD1-CD1 3.73Å; I145-L159 HydrophobicContact CG1-CD1 4.39Å; L157-L159 HydrophobicContact CD1-CD1 4.14Å; L157-L159 HydrophobicContact CD1-CG 4.2Å; L157-L159 HydrophobicContact CD2-CD1 3.77Å; L157-L159 HydrophobicContact CG-CD1 3.9Å; L157-L159 HydrophobicContact CG-CG 4.25Å; L159-N162 PolarHBondContact O-ND2 2.87Å; L159-L164 HydrophobicContact CB-CD1 4.25Å; L159-L164 HydrophobicContact CD1-CD1 4.3Å; L159-S180 PolarHBondContact N-O 2.97Å; L159-L181 HydrophobicContact CB-CD2 3.82Å; L159-L181 HydrophobicContact CD1-CD2 4.16Å; L159-N184 PolarHBondContact O-ND2 3.07Å
160	D	96.1	Very high	87.5	Confident	28 Å²	28	36.8 Å²	36.8	15%	0.15	19%	0.194	C	C	.	.			trans	-57.7	149.3	-179.3	-69.2	2	0	0	0	112.4	S138 H139 N158 N162 S180 L181 A182	S138-D160 CarbonylContact C-O 3.35Å; S138-D160 WeakPolarHBondContact CA-O 3.13Å; S138-D160 WeakPolarHBondContact CB-O 3.5Å; H139-D160 PolarHBondContact N-O 2.77Å; N158-D160 WeakPolarHBondContact OD1-CB 3.35Å; N158-D160 PolarHBondContact OD1-N 2.91Å; N158-D160 PolarHBondContact OD1-OD1 3.47Å; D160-N162 PolarHBondContact O-N 2.84Å; D160-N162 PolarHBondContact O-ND2 3.12Å; D160-S180 VanDerWaalsContact CG-OG 3.23Å; D160-S180 WeakPolarHBondContact OD1-CB 3.48Å; D160-S180 PolarHBondContact OD1-OG 3.02Å; D160-S180 PolarHBondContact OD2-OG 3.49Å; D160-S180 VanDerWaalsContact OD2-OG 3.11Å; D160-L181 PolarHBondContact OD1-N 3.29Å; D160-L181 VanDerWaalsContact OD1-N 3.17Å; D160-A182 CarbonylContact C-O 3.37Å; D160-A182 VanDerWaalsContact CA-O 3.25Å; D160-A182 WeakPolarHBondContact CA-O 3.19Å; D160-A182 HydrophobicContact CB-CB 4.16Å; D160-A182 VanDerWaalsContact CG-CB 3.46Å; D160-A182 WeakPolarHBondContact OD1-CB 3.29Å; D160-A182 PolarHBondContact OD1-N 3.19Å
161	Y	95.4	Very high	87.9	Confident	104 Å²	104	40 Å²	40	41%	0.408	20%	0.202	S	C	.	.	S	Bend	trans	53.9	50.1	178.7	-61.3	-87.6	0	0	0	114	H139 N140 A182 Y183	H139-Y161 WeakPolarHBondContact CA-O 3.49Å; H139-Y161 AromaticContact CD2-CD2 3.95Å; H139-Y161 AromaticContact CE1-CD1 3.83Å; H139-Y161 AromaticContact CE1-CD2 3.19Å; H139-Y161 WeakPolarHBondContact CE1-CD2 3.29Å; H139-Y161 AromaticContact CE1-CE2 3.62Å; H139-Y161 AromaticContact CE1-CG 3.3Å; H139-Y161 WeakPolarHBondContact ND1-CB 3.48Å; H139-Y161 AromaticContact ND1-CD2 3.84Å; H139-Y161 AromaticContact ND1-CG 3.59Å; H139-Y161 AromaticContact NE2-CD2 3.26Å; H139-Y161 VanDerWaalsContact NE2-CD2 3.26Å; H139-Y161 WeakPolarHBondContact NE2-CD2 3.28Å; H139-Y161 AromaticContact NE2-CE2 3.61Å; H139-Y161 AromaticContact NE2-CG 3.84Å; N140-Y161 PolarHBondContact N-O 3.49Å; Y161-A182 PolarHBondContact N-O 3.29Å; Y161-Y183 HydrophobicContact CD1-CD2 4.22Å; Y161-Y183 AromaticContact CD1-CG 3.97Å; Y161-Y183 HydrophobicContact CD1-CG 3.97Å; Y161-Y183 HydrophobicContact CD2-CD2 4.26Å; Y161-Y183 HydrophobicContact CE1-CD1 4.19Å; Y161-Y183 AromaticContact CE1-CD2 3.58Å; Y161-Y183 HydrophobicContact CE1-CD2 3.58Å; Y161-Y183 HydrophobicContact CE1-CE2 4.3Å; Y161-Y183 AromaticContact CE1-CG 3.51Å; Y161-Y183 HydrophobicContact CE1-CG 3.51Å; Y161-Y183 AromaticContact CE2-CD2 3.63Å; Y161-Y183 HydrophobicContact CE2-CD2 3.63Å; Y161-Y183 HydrophobicContact CE2-CE2 4.25Å; Y161-Y183 HydrophobicContact CE2-CG 4.35Å; Y161-Y183 AromaticContact CZ-CD2 3.25Å; Y161-Y183 AromaticContact CZ-CE2 3.73Å; Y161-Y183 AromaticContact CZ-CG 3.74Å; Y161-Y183 WeakPolarHBondContact OH-CD2 3.38Å; Y161-Y183 WeakPolarHBondContact OH-CE2 3.32Å
162	N	93.8	Very high	88	Confident	9 Å²	9	43.4 Å²	43.4	5%	0.048	22%	0.221	C	C	.	.	S	Bend	trans	-115.9	-170.1	171.9	-84.6	-80.5	0	0	0	111.1	F137 N140 R141 I142 L159 D160 L164 N184	F137-N162 PolarHBondContact O-ND2 3.24Å; N140-N162 WeakPolarHBondContact CA-OD1 3.38Å; N140-N162 WeakPolarHBondContact CB-OD1 3.49Å; N140-N162 PolarHBondContact O-OD1 2.73Å; R141-N162 PolarHBondContact N-OD1 3.43Å; I142-N162 HydrophobicContact CB-CB 4.27Å; I142-N162 VanDerWaalsContact CB-OD1 3.25Å; I142-N162 WeakPolarHBondContact CB-OD1 3.49Å; I142-N162 WeakPolarHBondContact CG1-OD1 3.47Å; I142-N162 PolarHBondContact N-OD1 2.88Å; L159-N162 PolarHBondContact O-ND2 2.87Å; D160-N162 PolarHBondContact O-N 2.84Å; D160-N162 PolarHBondContact O-ND2 3.12Å; N162-L164 HydrophobicContact CB-CG 4.38Å; N162-N184 WeakPolarHBondContact CA-OD1 3.49Å; N162-N184 WeakPolarHBondContact CB-OD1 3.48Å; N162-N184 PolarHBondContact O-OD1 3.41Å
163	C	92.6	Very high	88.2	Confident	48 Å²	48	40.7 Å²	40.7	32%	0.324	20%	0.203	S	C	.	.			trans	-104.4	13.4	-177.9	-79.7	0	0	0	0	114.6	I142 S165 N184 K185	I142-C163 CarbonylContact O-C 3.57Å; I142-C163 VanDerWaalsContact O-CA 3.3Å; I142-C163 WeakPolarHBondContact O-CA 3.3Å; I142-C163 WeakPolarHBondContact O-CB 3.35Å; I142-C163 PolarHBondContact O-N 2.99Å; C163-S165 PolarHBondContact O-N 2.92Å; C163-N184 PolarHBondContact N-OD1 2.94Å; C163-K185 PolarHBondContact SG-NZ 3.13Å
164	L	91.1	Very high	88.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.			trans	-59.8	125.7	-172	-58.9	173.7	0	0	0	112.7	I142 I145 L159 N162 L181 N184 K185 I186	I142-L164 HydrophobicContact CG2-CD2 3.77Å; I142-L164 PolarHBondContact O-N 3.03Å; I145-L164 HydrophobicContact CD1-CD1 3.94Å; I145-L164 HydrophobicContact CD1-CD2 4.41Å; I145-L164 HydrophobicContact CG1-CD1 4.16Å; I145-L164 HydrophobicContact CG1-CD2 3.74Å; L159-L164 HydrophobicContact CB-CD1 4.25Å; L159-L164 HydrophobicContact CD1-CD1 4.3Å; N162-L164 HydrophobicContact CB-CG 4.38Å; L164-L181 HydrophobicContact CD1-CD2 3.55Å; L164-N184 HydrophobicContact CB-CB 4.17Å; L164-N184 VanDerWaalsContact CB-OD1 3.25Å; L164-N184 WeakPolarHBondContact CB-OD1 3.29Å; L164-N184 VanDerWaalsContact CG-OD1 3.27Å; L164-N184 WeakPolarHBondContact CG-OD1 3.37Å; L164-N184 PolarHBondContact N-OD1 3.12Å; L164-K185 CarbonylContact O-C 3.1Å; L164-K185 VanDerWaalsContact O-CA 3.23Å; L164-K185 WeakPolarHBondContact O-CA 3.37Å; L164-K185 WeakPolarHBondContact O-CB 3.44Å; L164-K185 PolarHBondContact O-N 3.48Å; L164-I186 HydrophobicContact CB-CG1 4.34Å; L164-I186 PolarHBondContact O-N 3.34Å
165	S	88.9	Confident	88.1	Confident	61 Å²	61	45.8 Å²	45.8	43%	0.427	23%	0.232	S	C	.	.			trans	-95.3	-21.8	178.2	53.9	0	0	0	0	115	C163 I186 T187	C163-S165 PolarHBondContact O-N 2.92Å; S165-I186 WeakPolarHBondContact O-CA 3.3Å; S165-T187 PolarHBondContact O-N 3.44Å
166	E	86.1	Confident	88	Confident	103 Å²	103	41 Å²	41	48%	0.481	21%	0.213	S	C	.	.	S	Bend	trans	-146.3	166.8	179.2	63	176.9	-146.4	0	0	111.3
167	V	82.3	Confident	88	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.202	C	C	.	.			trans	-105.9	100.1	176	-176.6	0	0	0	0	108.9	L170 L181 I186 S190 L192	V167-L170 HydrophobicContact CG1-CD1 3.72Å; V167-L181 HydrophobicContact CG2-CD1 4.06Å; V167-I186 HydrophobicContact CG2-CD1 3.8Å; V167-I186 HydrophobicContact CG2-CG1 4.29Å; V167-I186 HydrophobicContact CG2-CG2 3.83Å; V167-S190 PolarHBondContact O-OG 2.91Å; V167-L192 HydrophobicContact CG1-CD2 3.7Å; V167-L192 HydrophobicContact CG1-CG 4.02Å
168	S	76.1	Confident	88.2	Confident	9 Å²	9	40 Å²	40	6%	0.063	21%	0.212	C	C	.	.			trans	-111.5	155.2	-173.3	39.2	0	0	0	0	112	D144 I145 L170	D144-S168 PolarHBondContact OD1-OG 3.48Å; D144-S168 VanDerWaalsContact OD1-OG 3.1Å; I145-S168 PolarHBondContact O-OG 3Å; S168-L170 PolarHBondContact O-N 3.43Å
169	D	73.7	Confident	88.2	Confident	57 Å²	57	38.7 Å²	38.7	31%	0.305	21%	0.205	S	C	.	.	S	Bend	trans	46	5.4	166.7	-74.9	-44	0	0	0	122.2	K171	D169-K171 PolarHBondContact O-N 2.94Å; D169-K171 IonicContact OD1-NZ 2.7Å; D169-K171 PolarHBondContact OD1-NZ 2.92Å
170	L	81.3	Confident	88.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-61.8	-15	174.3	-77.1	163.1	0	0	0	114.8	L148 L157 V167 S168 D172 C173 L176 L179 L192 L195	L148-L170 HydrophobicContact CD1-CD2 3.49Å; L148-L170 VanDerWaalsContact CD1-CD2 3.49Å; L148-L170 HydrophobicContact CD1-CG 4.08Å; L157-L170 HydrophobicContact CD2-CD2 3.95Å; V167-L170 HydrophobicContact CG1-CD1 3.72Å; S168-L170 PolarHBondContact O-N 3.43Å; L170-D172 PolarHBondContact O-N 3.48Å; L170-C173 VanDerWaalsContact O-CB 3.3Å; L170-C173 WeakPolarHBondContact O-CB 3.33Å; L170-C173 PolarHBondContact O-N 2.84Å; L170-L176 HydrophobicContact CD2-CD2 4.09Å; L170-L179 HydrophobicContact CD1-CD2 3.74Å; L170-L192 HydrophobicContact CD1-CD2 3.78Å; L170-L195 HydrophobicContact CB-CD1 4Å; L170-L195 WeakPolarHBondContact O-CD2 3.39Å
171	K	78.9	Confident	88.3	Confident	85 Å²	85	38.6 Å²	38.6	37%	0.37	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-46.1	-29.5	-171.2	73.5	-153.4	173.8	-154.3	0	116.3	D169	D169-K171 PolarHBondContact O-N 2.94Å; D169-K171 IonicContact OD1-NZ 2.7Å; D169-K171 PolarHBondContact OD1-NZ 2.92Å
172	D	80	Confident	88.4	Confident	77 Å²	77	33.7 Å²	33.7	41%	0.412	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-93.3	-6	-175.3	-62.2	-55.5	0	0	0	113.2	L170 S174	L170-D172 PolarHBondContact O-N 3.48Å; D172-S174 PolarHBondContact O-N 2.81Å
173	C	85.5	Confident	88.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.			trans	-78.4	59.3	177.5	-60.7	0	0	0	0	111.5	L170 M175 L176 L195	L170-C173 VanDerWaalsContact O-CB 3.3Å; L170-C173 WeakPolarHBondContact O-CB 3.33Å; L170-C173 PolarHBondContact O-N 2.84Å; C173-M175 PolarHBondContact O-N 3.43Å; C173-L176 HydrophobicContact CB-CB 4.04Å; C173-L176 HydrophobicContact CB-CD2 4.45Å; C173-L176 VanDerWaalsContact O-CB 3.26Å; C173-L176 WeakPolarHBondContact O-CB 3.39Å; C173-L176 PolarHBondContact O-N 3.42Å; C173-L195 HydrophobicContact CB-CD2 4.35Å; C173-L195 WeakPolarHBondContact O-CD2 3.32Å
174	S	86.4	Confident	88.7	Confident	76 Å²	76	34.6 Å²	34.6	53%	0.531	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-4.3	-168.8	61.2	0	0	0	0	116.4	D172 P196	D172-S174 PolarHBondContact O-N 2.81Å; S174-P196 WeakPolarHBondContact O-CG 3.46Å
175	M	90	Very high	88.8	Confident	71 Å²	71	39.3 Å²	39.3	35%	0.35	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	4.6	173.5	-60.1	-167.3	79.7	0	0	114	C152 L154 C173 T177	C152-M175 WeakPolarHBondContact O-CB 3.38Å; C152-M175 VanDerWaalsContact O-CG 3.24Å; C152-M175 WeakPolarHBondContact O-CG 3.43Å; L154-M175 CarbonylContact O-C 3Å; C173-M175 PolarHBondContact O-N 3.43Å; M175-T177 PolarHBondContact O-N 3.11Å
176	L	92.7	Very high	89.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.			trans	-71.6	122.5	-176.2	-168.3	69.9	0	0	0	110.8	L154 L157 L170 C173 L179 L195 P196 L197	L154-L176 HydrophobicContact CD2-CD1 4.38Å; L154-L176 HydrophobicContact CG-CD1 4.12Å; L154-L176 WeakPolarHBondContact O-CA 3.44Å; L154-L176 PolarHBondContact O-N 2.97Å; L157-L176 HydrophobicContact CB-CD1 3.98Å; L170-L176 HydrophobicContact CD2-CD2 4.09Å; C173-L176 HydrophobicContact CB-CB 4.04Å; C173-L176 HydrophobicContact CB-CD2 4.45Å; C173-L176 VanDerWaalsContact O-CB 3.26Å; C173-L176 WeakPolarHBondContact O-CB 3.39Å; C173-L176 PolarHBondContact O-N 3.42Å; L176-L179 HydrophobicContact CD2-CB 4.26Å; L176-L179 HydrophobicContact CD2-CD1 4.42Å; L176-L179 HydrophobicContact CD2-CD2 4.27Å; L176-L195 HydrophobicContact CD2-CD1 4.35Å; L176-P196 CarbonylContact O-C 3.52Å; L176-P196 WeakPolarHBondContact O-CD 3.37Å; L176-P196 WeakPolarHBondContact O-CG 3.36Å; L176-L197 HydrophobicContact CD2-CD2 4.12Å; L176-L197 HydrophobicContact CG-CD2 3.95Å; L176-L197 PolarHBondContact O-N 2.97Å
177	T	95.1	Very high	89.4	Confident	27 Å²	27	34.8 Å²	34.8	17%	0.166	18%	0.182	C	C	.	.			trans	-119.9	-27.2	-174.9	52.6	0	0	0	0	113.2	R155 M175 I198 D199	R155-T177 PolarHBondContact O-N 3.16Å; R155-T177 PolarHBondContact O-OG1 3.36Å; M175-T177 PolarHBondContact O-N 3.11Å; T177-I198 HydrophobicContact CG2-CD1 4.06Å; T177-I198 HydrophobicContact CG2-CG1 4.46Å; T177-I198 PolarHBondContact O-N 3.24Å; T177-D199 PolarHBondContact O-N 2.89Å
178	H	96.9	Very high	89.7	Confident	52 Å²	52	42.3 Å²	42.3	24%	0.241	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.8	176.1	-51.5	60.8	0	0	0	108.6	R155 K156 L157 D199	R155-H178 PolarHBondContact O-N 3.24Å; R155-H178 VanDerWaalsContact O-N 3.1Å; K156-H178 WeakPolarHBondContact CA-O 3.43Å; K156-H178 HydrophobicContact CB-CB 4.45Å; K156-H178 HydrophobicContact CD-CB 4.23Å; K156-H178 VanDerWaalsContact CE-CE1 3.48Å; K156-H178 WeakPolarHBondContact CE-CE1 3.27Å; K156-H178 WeakPolarHBondContact CE-NE2 3.47Å; K156-H178 HydrophobicContact CG-CB 4Å; K156-H178 PolarHBondContact NZ-CD2 3.44Å; K156-H178 PolarHBondContact NZ-NE2 3.36Å; K156-H178 VanDerWaalsContact NZ-NE2 3.12Å; L157-H178 PolarHBondContact N-O 3.21Å; L157-H178 VanDerWaalsContact N-O 3.15Å; H178-D199 WeakPolarHBondContact CA-O 3.36Å; H178-D199 HydrophobicContact CB-CB 4.25Å; H178-D199 IonicContact CD2-OD2 3.78Å
179	L	95.6	Very high	90.3	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.6	179.2	175.1	58.9	0	0	0	109.7	L157 L170 L176 L181 L192 L197 D199 L200 C201	L157-L179 HydrophobicContact CB-CD1 4.12Å; L157-L179 HydrophobicContact CD2-CD1 4.06Å; L157-L179 HydrophobicContact CG-CD1 4.17Å; L170-L179 HydrophobicContact CD1-CD2 3.74Å; L176-L179 HydrophobicContact CD2-CB 4.26Å; L176-L179 HydrophobicContact CD2-CD1 4.42Å; L176-L179 HydrophobicContact CD2-CD2 4.27Å; L179-L181 HydrophobicContact CD1-CD1 4.14Å; L179-L181 HydrophobicContact CD1-CD2 4.45Å; L179-L181 HydrophobicContact CD1-CG 3.98Å; L179-L181 HydrophobicContact CD2-CD1 3.84Å; L179-L181 HydrophobicContact CG-CD1 3.89Å; L179-L181 HydrophobicContact CG-CG 4.07Å; L179-L192 HydrophobicContact CD2-CD2 3.82Å; L179-L197 HydrophobicContact CB-CD2 3.77Å; L179-L197 HydrophobicContact CD2-CD1 4.32Å; L179-D199 PolarHBondContact N-O 3.48Å; L179-L200 HydrophobicContact CB-CD1 4.07Å; L179-L200 HydrophobicContact CD2-CD1 3.99Å; L179-L200 HydrophobicContact CG-CD1 4.02Å; L179-L200 WeakPolarHBondContact O-CA 3.45Å; L179-C201 PolarHBondContact O-N 3.41Å
180	S	96.8	Very high	90.8	Very high	25 Å²	25	41.9 Å²	41.9	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.7	174.4	-151.4	0	0	0	0	110.3	L157 L159 D160 C201	L157-S180 PolarHBondContact O-N 2.86Å; L159-S180 PolarHBondContact N-O 2.97Å; D160-S180 VanDerWaalsContact CG-OG 3.23Å; D160-S180 WeakPolarHBondContact OD1-CB 3.48Å; D160-S180 PolarHBondContact OD1-OG 3.02Å; D160-S180 PolarHBondContact OD2-OG 3.49Å; D160-S180 VanDerWaalsContact OD2-OG 3.11Å; S180-C201 WeakPolarHBondContact OG-CB 3.2Å
181	L	95.4	Very high	90.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.238	C	C	.	.			trans	-135.5	28.2	-176	-73.1	167	0	0	0	110.4	L159 D160 L164 V167 L179 N184 I186 C201 L202 N205	L159-L181 HydrophobicContact CB-CD2 3.82Å; L159-L181 HydrophobicContact CD1-CD2 4.16Å; D160-L181 PolarHBondContact OD1-N 3.29Å; D160-L181 VanDerWaalsContact OD1-N 3.17Å; L164-L181 HydrophobicContact CD1-CD2 3.55Å; V167-L181 HydrophobicContact CG2-CD1 4.06Å; L179-L181 HydrophobicContact CD1-CD1 4.14Å; L179-L181 HydrophobicContact CD1-CD2 4.45Å; L179-L181 HydrophobicContact CD1-CG 3.98Å; L179-L181 HydrophobicContact CD2-CD1 3.84Å; L179-L181 HydrophobicContact CG-CD1 3.89Å; L179-L181 HydrophobicContact CG-CG 4.07Å; L181-N184 PolarHBondContact O-ND2 3.32Å; L181-I186 HydrophobicContact CB-CD1 3.86Å; L181-I186 HydrophobicContact CD1-CD1 4.1Å; L181-I186 HydrophobicContact CD2-CD1 4.31Å; L181-I186 HydrophobicContact CG-CD1 4.33Å; L181-C201 PolarHBondContact N-O 3.29Å; L181-L202 HydrophobicContact CB-CD2 3.99Å; L181-L202 HydrophobicContact CD1-CD2 3.99Å; L181-N205 PolarHBondContact O-ND2 2.7Å
182	A	96.9	Very high	91.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	152.5	-173.4	0	0	0	0	0	112.3	D160 Y161 N184 R203	D160-A182 CarbonylContact C-O 3.37Å; D160-A182 VanDerWaalsContact CA-O 3.25Å; D160-A182 WeakPolarHBondContact CA-O 3.19Å; D160-A182 HydrophobicContact CB-CB 4.16Å; D160-A182 VanDerWaalsContact CG-CB 3.46Å; D160-A182 WeakPolarHBondContact OD1-CB 3.29Å; D160-A182 PolarHBondContact OD1-N 3.19Å; Y161-A182 PolarHBondContact N-O 3.29Å; A182-N184 PolarHBondContact O-N 2.78Å; A182-N184 VanDerWaalsContact O-N 3.14Å; A182-N184 PolarHBondContact O-ND2 2.9Å; A182-R203 CarbonylContact C-O 3.27Å; A182-R203 WeakPolarHBondContact CA-O 3.48Å; A182-R203 HydrophobicContact CB-CB 3.99Å
183	Y	96.6	Very high	91	Very high	68 Å²	68	39.4 Å²	39.4	27%	0.267	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	38.6	175	-58.9	-76.6	0	0	0	114.3	Y161 R203 G204 R226	Y161-Y183 HydrophobicContact CD1-CD2 4.22Å; Y161-Y183 AromaticContact CD1-CG 3.97Å; Y161-Y183 HydrophobicContact CD1-CG 3.97Å; Y161-Y183 HydrophobicContact CD2-CD2 4.26Å; Y161-Y183 HydrophobicContact CE1-CD1 4.19Å; Y161-Y183 AromaticContact CE1-CD2 3.58Å; Y161-Y183 HydrophobicContact CE1-CD2 3.58Å; Y161-Y183 HydrophobicContact CE1-CE2 4.3Å; Y161-Y183 AromaticContact CE1-CG 3.51Å; Y161-Y183 HydrophobicContact CE1-CG 3.51Å; Y161-Y183 AromaticContact CE2-CD2 3.63Å; Y161-Y183 HydrophobicContact CE2-CD2 3.63Å; Y161-Y183 HydrophobicContact CE2-CE2 4.25Å; Y161-Y183 HydrophobicContact CE2-CG 4.35Å; Y161-Y183 AromaticContact CZ-CD2 3.25Å; Y161-Y183 AromaticContact CZ-CE2 3.73Å; Y161-Y183 AromaticContact CZ-CG 3.74Å; Y161-Y183 WeakPolarHBondContact OH-CD2 3.38Å; Y161-Y183 WeakPolarHBondContact OH-CE2 3.32Å; Y183-R203 HydrophobicContact CE2-CG 4.14Å; Y183-R203 PolarHBondContact N-O 3.4Å; Y183-R203 PolarHBondContact OH-NE 3.2Å; Y183-G204 WeakPolarHBondContact CA-O 3.25Å; Y183-R226 PolarHBondContact OH-NH1 2.89Å
184	N	95.8	Very high	90.9	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.043	24%	0.244	C	C	.	.	S	Bend	trans	-99.3	-165.5	170.3	-84.2	-87.6	0	0	0	110.1	L159 N162 C163 L164 L181 A182 I186 N205	L159-N184 PolarHBondContact O-ND2 3.07Å; N162-N184 WeakPolarHBondContact CA-OD1 3.49Å; N162-N184 WeakPolarHBondContact CB-OD1 3.48Å; N162-N184 PolarHBondContact O-OD1 3.41Å; C163-N184 PolarHBondContact N-OD1 2.94Å; L164-N184 HydrophobicContact CB-CB 4.17Å; L164-N184 VanDerWaalsContact CB-OD1 3.25Å; L164-N184 WeakPolarHBondContact CB-OD1 3.29Å; L164-N184 VanDerWaalsContact CG-OD1 3.27Å; L164-N184 WeakPolarHBondContact CG-OD1 3.37Å; L164-N184 PolarHBondContact N-OD1 3.12Å; L181-N184 PolarHBondContact O-ND2 3.32Å; A182-N184 PolarHBondContact O-N 2.78Å; A182-N184 VanDerWaalsContact O-N 3.14Å; A182-N184 PolarHBondContact O-ND2 2.9Å; N184-I186 HydrophobicContact CB-CD1 4.14Å; N184-I186 HydrophobicContact CB-CG1 4.08Å; N184-N205 WeakPolarHBondContact CA-OD1 3.05Å; N184-N205 WeakPolarHBondContact CB-OD1 3.43Å; N184-N205 PolarHBondContact N-OD1 2.84Å; N184-N205 PolarHBondContact O-OD1 2.69Å
185	K	94.9	Very high	91	Very high	99 Å²	99	42.6 Å²	42.6	43%	0.43	22%	0.221	S	C	.	.			trans	-115.4	26.1	-179	-62.7	165.8	-174.5	161.6	0	111.4	C163 L164 T187 N205	C163-K185 PolarHBondContact SG-NZ 3.13Å; L164-K185 CarbonylContact O-C 3.1Å; L164-K185 VanDerWaalsContact O-CA 3.23Å; L164-K185 WeakPolarHBondContact O-CA 3.37Å; L164-K185 WeakPolarHBondContact O-CB 3.44Å; L164-K185 PolarHBondContact O-N 3.48Å; K185-T187 PolarHBondContact O-N 2.9Å; K185-N205 PolarHBondContact N-OD1 3.08Å
186	I	94.4	Very high	91.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.			trans	-68	120.8	-171.5	-60.3	164.6	0	0	0	109.4	L164 S165 V167 L181 N184 K188 L202 N205 Q206 L207	L164-I186 HydrophobicContact CB-CG1 4.34Å; L164-I186 PolarHBondContact O-N 3.34Å; S165-I186 WeakPolarHBondContact O-CA 3.3Å; V167-I186 HydrophobicContact CG2-CD1 3.8Å; V167-I186 HydrophobicContact CG2-CG1 4.29Å; V167-I186 HydrophobicContact CG2-CG2 3.83Å; L181-I186 HydrophobicContact CB-CD1 3.86Å; L181-I186 HydrophobicContact CD1-CD1 4.1Å; L181-I186 HydrophobicContact CD2-CD1 4.31Å; L181-I186 HydrophobicContact CG-CD1 4.33Å; N184-I186 HydrophobicContact CB-CD1 4.14Å; N184-I186 HydrophobicContact CB-CG1 4.08Å; I186-K188 WeakPolarHBondContact CG2-O 3.49Å; I186-L202 HydrophobicContact CD1-CD2 4.01Å; I186-N205 HydrophobicContact CB-CB 4.22Å; I186-N205 VanDerWaalsContact CB-OD1 3.28Å; I186-N205 WeakPolarHBondContact CB-OD1 3.46Å; I186-N205 WeakPolarHBondContact CG1-OD1 3.29Å; I186-N205 PolarHBondContact N-OD1 3.36Å; I186-Q206 CarbonylContact O-C 3.46Å; I186-Q206 VanDerWaalsContact O-C 3.3Å; I186-Q206 WeakPolarHBondContact O-CA 3.46Å; I186-Q206 PolarHBondContact O-N 2.81Å; I186-L207 HydrophobicContact CG2-CD2 3.99Å; I186-L207 PolarHBondContact O-N 3.31Å
187	T	92	Very high	91.1	Very high	69 Å²	69	40.9 Å²	40.9	42%	0.423	22%	0.215	S	C	.	.			trans	-99.9	-21.6	178.7	53.5	0	0	0	0	113.3	S165 K185 Q206	S165-T187 PolarHBondContact O-N 3.44Å; K185-T187 PolarHBondContact O-N 2.9Å; T187-Q206 HydrophobicContact CG2-CB 3.97Å
188	K	88.8	Confident	91.2	Very high	159 Å²	159	42.3 Å²	42.3	69%	0.691	22%	0.221	S	C	*	.			trans	-145.2	141.3	-179	-64.2	-171.8	179.3	-174.1	0	111.6	I186	I186-K188 WeakPolarHBondContact CG2-O 3.49Å
189	I	88.1	Confident	91.2	Very high	15 Å²	15	42.5 Å²	42.5	8%	0.077	22%	0.224	C	C	.	.			trans	-91.7	132.2	171.9	-53	171.4	0	0	0	108	L192 L202 L207 L213	I189-L192 HydrophobicContact CG2-CD1 3.65Å; I189-L192 HydrophobicContact CG2-CG 4.19Å; I189-L202 HydrophobicContact CD1-CD1 3.68Å; I189-L202 HydrophobicContact CG1-CD1 4.15Å; I189-L207 HydrophobicContact CD1-CD1 3.99Å; I189-L207 HydrophobicContact CD1-CD2 4.32Å; I189-L207 HydrophobicContact CG1-CD1 4.2Å; I189-L207 HydrophobicContact CG1-CD2 3.75Å; I189-L213 HydrophobicContact CD1-CD1 3.78Å; I189-L213 HydrophobicContact CD1-CD2 3.89Å; I189-L213 HydrophobicContact CD1-CG 3.66Å; I189-L213 HydrophobicContact CG2-CD2 4.08Å; I189-L213 HydrophobicContact CG2-CG 4.42Å
190	S	85.6	Confident	91.3	Very high	43 Å²	43	42.3 Å²	42.3	30%	0.301	22%	0.223	S	C	.	.			trans	-149.6	165.8	175.9	90.7	0	0	0	0	110.8	V167 L192	V167-S190 PolarHBondContact O-OG 2.91Å; S190-L192 PolarHBondContact O-N 3.29Å
191	N	80.1	Confident	91.3	Very high	90 Å²	90	42.1 Å²	42.1	48%	0.481	22%	0.222	S	C	.	.	S	Bend	trans	58.6	-6	171.5	-61.3	-53.7	0	0	0	118.3	G193	N191-G193 VanDerWaalsContact C-N 3.29Å; N191-G193 PolarHBondContact O-N 3.2Å
192	L	84.7	Confident	91.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-68.1	-23.3	178	-65.2	-175.2	0	0	0	114	V167 L170 L179 I189 S190 N194 L195 L197 L200 L216	V167-L192 HydrophobicContact CG1-CD2 3.7Å; V167-L192 HydrophobicContact CG1-CG 4.02Å; L170-L192 HydrophobicContact CD1-CD2 3.78Å; L179-L192 HydrophobicContact CD2-CD2 3.82Å; I189-L192 HydrophobicContact CG2-CD1 3.65Å; I189-L192 HydrophobicContact CG2-CG 4.19Å; S190-L192 PolarHBondContact O-N 3.29Å; L192-N194 PolarHBondContact O-N 3.49Å; L192-L195 HydrophobicContact CB-CD1 4.48Å; L192-L195 HydrophobicContact CD2-CD1 3.78Å; L192-L195 WeakPolarHBondContact O-CB 3.45Å; L192-L195 VanDerWaalsContact O-CG 3.3Å; L192-L195 WeakPolarHBondContact O-CG 3.15Å; L192-L195 PolarHBondContact O-N 2.91Å; L192-L197 HydrophobicContact CD1-CD1 4.42Å; L192-L197 HydrophobicContact CD2-CD1 4.34Å; L192-L200 HydrophobicContact CD1-CD1 4.45Å; L192-L200 HydrophobicContact CD1-CD2 3.9Å; L192-L216 HydrophobicContact CB-CD1 4.45Å; L192-L216 HydrophobicContact CB-CD2 4.2Å; L192-L216 VanDerWaalsContact O-CD2 3.29Å; L192-L216 WeakPolarHBondContact O-CD2 3.25Å
193	G	79.5	Confident	91.3	Very high	19 Å²	19	44.5 Å²	44.5	20%	0.196	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-65.3	2.8	-164.7	0	0	0	0	0	118.6	N191 K215	N191-G193 VanDerWaalsContact C-N 3.29Å; N191-G193 PolarHBondContact O-N 3.2Å; G193-K215 WeakPolarHBondContact O-CB 3.5Å
194	N	82.3	Confident	91.3	Very high	134 Å²	134	42.1 Å²	42.1	72%	0.717	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-105.5	-3.9	172.2	-71.2	-1.6	0	0	0	112.9	L192	L192-N194 PolarHBondContact O-N 3.49Å
195	L	88.3	Confident	91.4	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.047	23%	0.226	C	C	.	.	S	Bend	trans	-93.7	139.8	-168.1	-55.8	173.7	0	0	0	111.7	L170 C173 L176 L192 L197	L170-L195 HydrophobicContact CB-CD1 4Å; L170-L195 WeakPolarHBondContact O-CD2 3.39Å; C173-L195 HydrophobicContact CB-CD2 4.35Å; C173-L195 WeakPolarHBondContact O-CD2 3.32Å; L176-L195 HydrophobicContact CD2-CD1 4.35Å; L192-L195 HydrophobicContact CB-CD1 4.48Å; L192-L195 HydrophobicContact CD2-CD1 3.78Å; L192-L195 WeakPolarHBondContact O-CB 3.45Å; L192-L195 VanDerWaalsContact O-CG 3.3Å; L192-L195 WeakPolarHBondContact O-CG 3.15Å; L192-L195 PolarHBondContact O-N 2.91Å; L195-L197 HydrophobicContact CB-CD1 4.38Å; L195-L197 HydrophobicContact CB-CG 3.96Å; L195-L197 HydrophobicContact CD1-CD1 4.42Å; L195-L197 PolarHBondContact O-N 2.71Å
196	P	91.9	Very high	91.4	Very high	35 Å²	35	42 Å²	42	23%	0.227	23%	0.227	C	C	.	.			trans	-81	46.1	177.3	36.7	-36.8	0	0	0	111.8	S174 L176 I198	S174-P196 WeakPolarHBondContact O-CG 3.46Å; L176-P196 CarbonylContact O-C 3.52Å; L176-P196 WeakPolarHBondContact O-CD 3.37Å; L176-P196 WeakPolarHBondContact O-CG 3.36Å; P196-I198 PolarHBondContact O-N 3.35Å
197	L	94.4	Very high	91.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.			trans	-61.1	135.8	178.3	-69.3	174.4	0	0	0	110.7	L176 L179 L192 L195 L200 L216 N218 I219	L176-L197 HydrophobicContact CD2-CD2 4.12Å; L176-L197 HydrophobicContact CG-CD2 3.95Å; L176-L197 PolarHBondContact O-N 2.97Å; L179-L197 HydrophobicContact CB-CD2 3.77Å; L179-L197 HydrophobicContact CD2-CD1 4.32Å; L192-L197 HydrophobicContact CD1-CD1 4.42Å; L192-L197 HydrophobicContact CD2-CD1 4.34Å; L195-L197 HydrophobicContact CB-CD1 4.38Å; L195-L197 HydrophobicContact CB-CG 3.96Å; L195-L197 HydrophobicContact CD1-CD1 4.42Å; L195-L197 PolarHBondContact O-N 2.71Å; L197-L200 HydrophobicContact CD1-CD1 4.43Å; L197-L200 HydrophobicContact CD1-CD2 4.4Å; L197-L216 HydrophobicContact CB-CD2 4.44Å; L197-L216 HydrophobicContact CD1-CD1 4.26Å; L197-L216 HydrophobicContact CD1-CD2 4.17Å; L197-N218 CarbonylContact O-C 3.58Å; L197-N218 WeakPolarHBondContact O-CB 3.41Å; L197-I219 HydrophobicContact CB-CD1 3.93Å; L197-I219 VanDerWaalsContact O-CA 3.32Å; L197-I219 WeakPolarHBondContact O-CA 3.5Å; L197-I219 PolarHBondContact O-N 2.83Å; L197-I219 VanDerWaalsContact O-N 3.14Å
198	I	96.4	Very high	91.5	Very high	57 Å²	57	43.8 Å²	43.8	29%	0.292	23%	0.23	S	C	.	.	S	Bend	trans	-111.5	-37.1	175.8	-61	176.5	0	0	0	108.8	T177 P196 Q220 V221	T177-I198 HydrophobicContact CG2-CD1 4.06Å; T177-I198 HydrophobicContact CG2-CG1 4.46Å; T177-I198 PolarHBondContact O-N 3.24Å; P196-I198 PolarHBondContact O-N 3.35Å; I198-Q220 HydrophobicContact CG2-CB 3.95Å; I198-Q220 HydrophobicContact CG2-CG 4.2Å; I198-Q220 WeakPolarHBondContact O-CA 3.46Å; I198-Q220 WeakPolarHBondContact O-CB 3.45Å; I198-Q220 PolarHBondContact O-N 3.27Å; I198-V221 PolarHBondContact O-N 3.43Å
199	D	97.3	Very high	91.7	Very high	56 Å²	56	38.2 Å²	38.2	30%	0.299	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.8	-177.2	-172.4	3.8	0	0	0	109.8	T177 H178 L179 V221	T177-D199 PolarHBondContact O-N 2.89Å; H178-D199 WeakPolarHBondContact CA-O 3.36Å; H178-D199 HydrophobicContact CB-CB 4.25Å; H178-D199 IonicContact CD2-OD2 3.78Å; L179-D199 PolarHBondContact N-O 3.48Å; D199-V221 HydrophobicContact CB-CB 4.38Å; D199-V221 WeakPolarHBondContact OD1-CG1 3.38Å
200	L	96.6	Very high	91.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	114	-179	177.8	58	0	0	0	110.4	L179 L192 L197 L202 L213 L216 I219 V221 L222 D223	L179-L200 HydrophobicContact CB-CD1 4.07Å; L179-L200 HydrophobicContact CD2-CD1 3.99Å; L179-L200 HydrophobicContact CG-CD1 4.02Å; L179-L200 WeakPolarHBondContact O-CA 3.45Å; L192-L200 HydrophobicContact CD1-CD1 4.45Å; L192-L200 HydrophobicContact CD1-CD2 3.9Å; L197-L200 HydrophobicContact CD1-CD1 4.43Å; L197-L200 HydrophobicContact CD1-CD2 4.4Å; L200-L202 HydrophobicContact CD1-CD1 4.22Å; L200-L202 HydrophobicContact CD1-CG 4.07Å; L200-L202 HydrophobicContact CD2-CD1 3.85Å; L200-L202 HydrophobicContact CG-CD1 3.96Å; L200-L202 HydrophobicContact CG-CG 4.14Å; L200-L213 HydrophobicContact CD2-CD2 3.69Å; L200-L216 HydrophobicContact CD2-CD1 3.94Å; L200-I219 HydrophobicContact CB-CD1 3.71Å; L200-V221 PolarHBondContact N-O 3.29Å; L200-V221 VanDerWaalsContact N-O 3.16Å; L200-L222 HydrophobicContact CB-CD1 4.16Å; L200-L222 HydrophobicContact CD2-CD1 4.03Å; L200-L222 HydrophobicContact CG-CD1 4.11Å; L200-L222 WeakPolarHBondContact O-CA 3.37Å; L200-D223 PolarHBondContact O-N 3Å
201	C	97.4	Very high	91.9	Very high	22 Å²	22	41.2 Å²	41.2	15%	0.149	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.7	173.8	-174.4	0	0	0	0	110.4	L179 S180 L181 D223	L179-C201 PolarHBondContact O-N 3.41Å; S180-C201 WeakPolarHBondContact OG-CB 3.2Å; L181-C201 PolarHBondContact N-O 3.29Å; C201-D223 HydrophobicContact CB-CB 4.49Å
202	L	96	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.			trans	-120.1	18.9	176.1	-76.7	165.2	0	0	0	111.4	L181 I186 I189 L200 N205 L207 D223 L224 N227	L181-L202 HydrophobicContact CB-CD2 3.99Å; L181-L202 HydrophobicContact CD1-CD2 3.99Å; I186-L202 HydrophobicContact CD1-CD2 4.01Å; I189-L202 HydrophobicContact CD1-CD1 3.68Å; I189-L202 HydrophobicContact CG1-CD1 4.15Å; L200-L202 HydrophobicContact CD1-CD1 4.22Å; L200-L202 HydrophobicContact CD1-CG 4.07Å; L200-L202 HydrophobicContact CD2-CD1 3.85Å; L200-L202 HydrophobicContact CG-CD1 3.96Å; L200-L202 HydrophobicContact CG-CG 4.14Å; L202-N205 PolarHBondContact O-ND2 3.28Å; L202-L207 HydrophobicContact CB-CD1 4.11Å; L202-L207 HydrophobicContact CD1-CD1 4.25Å; L202-D223 CarbonylContact C-O 3.53Å; L202-D223 WeakPolarHBondContact CA-O 3.39Å; L202-D223 PolarHBondContact N-O 3.21Å; L202-L224 HydrophobicContact CB-CD2 3.92Å; L202-L224 HydrophobicContact CD1-CD2 4.05Å; L202-N227 PolarHBondContact O-ND2 3.07Å
203	R	97.5	Very high	92.4	Very high	52 Å²	52	38 Å²	38	20%	0.196	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	138.7	178.5	178.5	174.4	-156.2	105.4	10.6	112.9	A182 Y183 N205 D223 S225 E247	A182-R203 CarbonylContact C-O 3.27Å; A182-R203 WeakPolarHBondContact CA-O 3.48Å; A182-R203 HydrophobicContact CB-CB 3.99Å; Y183-R203 HydrophobicContact CE2-CG 4.14Å; Y183-R203 PolarHBondContact N-O 3.4Å; Y183-R203 PolarHBondContact OH-NE 3.2Å; R203-N205 PolarHBondContact O-N 2.79Å; R203-N205 PolarHBondContact O-ND2 2.97Å; R203-D223 WeakPolarHBondContact CD-OD2 3.29Å; R203-D223 IonicContact CZ-OD2 3.92Å; R203-D223 PolarHBondContact N-O 2.99Å; R203-D223 IonicContact NH1-OD1 2.66Å; R203-D223 IonicContact NH1-OD2 2.57Å; R203-D223 PolarHBondContact NH1-OD2 3.45Å; R203-S225 CarbonylContact C-O 3.58Å; R203-S225 WeakPolarHBondContact CA-O 3.32Å; R203-S225 WeakPolarHBondContact CG-OG 3.44Å; R203-S225 PolarHBondContact NH1-OG 3.45Å; R203-S225 VanDerWaalsContact NH1-OG 3.08Å; R203-E247 IonicContact NH2-OE1 3.46Å; R203-E247 IonicContact NH2-OE2 3.88Å
204	G	96.3	Very high	92.9	Very high	17 Å²	17	40.6 Å²	40.6	18%	0.175	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	27	168.6	0	0	0	0	0	115.3	Y183 S225 R226	Y183-G204 WeakPolarHBondContact CA-O 3.25Å; G204-S225 PolarHBondContact N-O 2.65Å; G204-R226 CarbonylContact C-O 3.12Å; G204-R226 WeakPolarHBondContact CA-O 3.45Å; G204-R226 PolarHBondContact N-O 2.59Å
205	N	96.8	Very high	93.2	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.043	21%	0.208	C	C	.	.	S	Bend	trans	-103	-165.9	178.8	-81.6	-78.6	0	0	0	111.5	L181 N184 K185 I186 L202 R203 L207 R226 N227	L181-N205 PolarHBondContact O-ND2 2.7Å; N184-N205 WeakPolarHBondContact CA-OD1 3.05Å; N184-N205 WeakPolarHBondContact CB-OD1 3.43Å; N184-N205 PolarHBondContact N-OD1 2.84Å; N184-N205 PolarHBondContact O-OD1 2.69Å; K185-N205 PolarHBondContact N-OD1 3.08Å; I186-N205 HydrophobicContact CB-CB 4.22Å; I186-N205 VanDerWaalsContact CB-OD1 3.28Å; I186-N205 WeakPolarHBondContact CB-OD1 3.46Å; I186-N205 WeakPolarHBondContact CG1-OD1 3.29Å; I186-N205 PolarHBondContact N-OD1 3.36Å; L202-N205 PolarHBondContact O-ND2 3.28Å; R203-N205 PolarHBondContact O-N 2.79Å; R203-N205 PolarHBondContact O-ND2 2.97Å; N205-L207 HydrophobicContact CB-CG 4.33Å; N205-R226 PolarHBondContact N-O 2.96Å; N205-N227 VanDerWaalsContact CA-OD1 3.28Å; N205-N227 WeakPolarHBondContact CA-OD1 3.24Å; N205-N227 WeakPolarHBondContact CB-OD1 3.47Å; N205-N227 PolarHBondContact N-OD1 2.87Å; N205-N227 PolarHBondContact O-OD1 3.27Å
206	Q	95.9	Very high	93.3	Very high	96 Å²	96	40.3 Å²	40.3	45%	0.449	21%	0.207	S	C	.	.			trans	-117	32.9	-175.7	-59.1	-178.5	16.6	0	0	111.6	I186 T187 N227	I186-Q206 CarbonylContact O-C 3.46Å; I186-Q206 VanDerWaalsContact O-C 3.3Å; I186-Q206 WeakPolarHBondContact O-CA 3.46Å; I186-Q206 PolarHBondContact O-N 2.81Å; T187-Q206 HydrophobicContact CG2-CB 3.97Å; Q206-N227 PolarHBondContact N-OD1 3.24Å
207	L	94.9	Very high	93.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.227	C	C	.	.			trans	-73	136.7	-179.2	-60.2	172.7	0	0	0	111.1	I186 I189 L202 N205 L224 N227 C228 I229	I186-L207 HydrophobicContact CG2-CD2 3.99Å; I186-L207 PolarHBondContact O-N 3.31Å; I189-L207 HydrophobicContact CD1-CD1 3.99Å; I189-L207 HydrophobicContact CD1-CD2 4.32Å; I189-L207 HydrophobicContact CG1-CD1 4.2Å; I189-L207 HydrophobicContact CG1-CD2 3.75Å; L202-L207 HydrophobicContact CB-CD1 4.11Å; L202-L207 HydrophobicContact CD1-CD1 4.25Å; N205-L207 HydrophobicContact CB-CG 4.33Å; L207-L224 HydrophobicContact CD1-CD2 3.73Å; L207-N227 HydrophobicContact CB-CB 4.24Å; L207-N227 VanDerWaalsContact CB-OD1 3.31Å; L207-N227 WeakPolarHBondContact CB-OD1 3.24Å; L207-N227 WeakPolarHBondContact CG-OD1 3.41Å; L207-N227 PolarHBondContact N-OD1 3.14Å; L207-N227 VanDerWaalsContact N-OD1 3.1Å; L207-C228 CarbonylContact O-C 3.54Å; L207-C228 VanDerWaalsContact O-CA 3.24Å; L207-C228 WeakPolarHBondContact O-CA 3.33Å; L207-C228 WeakPolarHBondContact O-CB 3.45Å; L207-C228 PolarHBondContact O-N 2.78Å; L207-I229 HydrophobicContact CB-CD1 4.42Å; L207-I229 HydrophobicContact CB-CG1 4.1Å; L207-I229 WeakPolarHBondContact O-CG1 3.3Å; L207-I229 PolarHBondContact O-N 2.92Å; L207-I229 VanDerWaalsContact O-N 3.15Å
208	H	93.3	Very high	93.1	Very high	106 Å²	106	49 Å²	49	49%	0.491	25%	0.247	S	C	.	.	S	Bend	trans	-106.7	-17.7	176.2	-75.1	-66.3	0	0	0	114.3	C228 I229 T230	H208-C228 VanDerWaalsContact CE1-CB 3.43Å; H208-C228 WeakPolarHBondContact CE1-CB 3.25Å; H208-C228 WeakPolarHBondContact ND1-CB 2.79Å; H208-C228 PolarHBondContact ND1-O 2.58Å; H208-I229 WeakPolarHBondContact O-CA 3.35Å; H208-T230 PolarHBondContact O-N 2.84Å; H208-T230 VanDerWaalsContact O-N 3.12Å; H208-T230 PolarHBondContact O-OG1 2.89Å
209	C	91.8	Very high	93.1	Very high	43 Å²	43	46.4 Å²	46.4	29%	0.291	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-151	167	179.1	59.6	0	0	0	0	110.1	E211	C209-E211 HydrophobicContact CB-CG 4.33Å
210	T	90.6	Very high	93	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.			trans	-97	20	177.9	49.7	0	0	0	0	114.2	L213 L224 I229 I232 S233 I235	T210-L213 HydrophobicContact CG2-CD1 4.36Å; T210-L224 HydrophobicContact CG2-CD1 3.67Å; T210-I229 HydrophobicContact CG2-CD1 4.21Å; T210-I229 HydrophobicContact CG2-CG2 4.47Å; T210-I232 VanDerWaalsContact OG1-CA 3.28Å; T210-I232 WeakPolarHBondContact OG1-CA 3.37Å; T210-I232 PolarHBondContact OG1-O 3.07Å; T210-S233 CarbonylContact C-O 3.42Å; T210-S233 PolarHBondContact OG1-N 2.91Å; T210-S233 PolarHBondContact OG1-O 2.73Å; T210-I235 HydrophobicContact CG2-CG2 4.27Å
211	E	87.8	Confident	93.1	Very high	121 Å²	121	48.6 Å²	48.6	57%	0.565	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	148.1	173.9	-65.4	-178	168.1	0	0	111.5	C209 L213	C209-E211 HydrophobicContact CB-CG 4.33Å; E211-L213 VanDerWaalsContact C-N 3.33Å
212	G	85.3	Confident	93	Very high	20 Å²	20	47.6 Å²	47.6	21%	0.206	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-8.5	-177.9	0	0	0	0	0	115.2	E214	G212-E214 PolarHBondContact N-OE1 3.3Å
213	L	90.3	Very high	93.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.243	C	C	.	.			trans	-87.1	-11.2	175.3	-67.7	173.4	0	0	0	113.8	I189 L200 T210 E211 K215 L216 L222 L224	I189-L213 HydrophobicContact CD1-CD1 3.78Å; I189-L213 HydrophobicContact CD1-CD2 3.89Å; I189-L213 HydrophobicContact CD1-CG 3.66Å; I189-L213 HydrophobicContact CG2-CD2 4.08Å; I189-L213 HydrophobicContact CG2-CG 4.42Å; L200-L213 HydrophobicContact CD2-CD2 3.69Å; T210-L213 HydrophobicContact CG2-CD1 4.36Å; E211-L213 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 3.31Å; L213-L216 HydrophobicContact CD2-CD1 3.6Å; L213-L216 PolarHBondContact O-N 3.27Å; L213-L216 VanDerWaalsContact O-N 3.08Å; L213-L222 HydrophobicContact CD1-CD1 4.45Å; L213-L222 HydrophobicContact CD1-CD2 4.17Å; L213-L224 HydrophobicContact CD1-CD1 4.37Å
214	E	89.9	Confident	93.1	Very high	74 Å²	74	46.2 Å²	46.2	35%	0.346	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.7	-161.4	-36.3	82.3	-177.1	0	0	114.8	G212 G234	G212-E214 PolarHBondContact N-OE1 3.3Å; E214-G234 WeakPolarHBondContact CA-O 3.48Å; E214-G234 WeakPolarHBondContact CB-O 3.37Å; E214-G234 WeakPolarHBondContact CG-O 3.34Å
215	K	89.2	Confident	93.1	Very high	134 Å²	134	45.4 Å²	45.4	58%	0.583	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.4	-175.5	-62.1	175.7	-176.9	172.1	0	114.1	G193 L213 Q217	G193-K215 WeakPolarHBondContact O-CB 3.5Å; L213-K215 PolarHBondContact O-N 3.31Å; K215-Q217 PolarHBondContact O-N 3.43Å
216	L	90.6	Very high	93.1	Very high	3 Å²	3	50 Å²	50	2%	0.016	24%	0.242	C	C	.	.			trans	-77.4	59.8	-175.6	-65.3	-178.6	0	0	0	112.9	L192 L197 L200 L213 N218 I219 L238	L192-L216 HydrophobicContact CB-CD1 4.45Å; L192-L216 HydrophobicContact CB-CD2 4.2Å; L192-L216 VanDerWaalsContact O-CD2 3.29Å; L192-L216 WeakPolarHBondContact O-CD2 3.25Å; L197-L216 HydrophobicContact CB-CD2 4.44Å; L197-L216 HydrophobicContact CD1-CD1 4.26Å; L197-L216 HydrophobicContact CD1-CD2 4.17Å; L200-L216 HydrophobicContact CD2-CD1 3.94Å; L213-L216 HydrophobicContact CD2-CD1 3.6Å; L213-L216 PolarHBondContact O-N 3.27Å; L213-L216 VanDerWaalsContact O-N 3.08Å; L216-N218 PolarHBondContact O-N 3.04Å; L216-I219 HydrophobicContact CB-CB 4.2Å; L216-I219 HydrophobicContact CB-CG2 4.32Å; L216-I219 WeakPolarHBondContact O-CB 3.28Å; L216-I219 WeakPolarHBondContact O-CG2 3.43Å; L216-I219 PolarHBondContact O-N 2.88Å; L216-L238 HydrophobicContact CB-CD2 4.18Å; L216-L238 WeakPolarHBondContact O-CD2 3.42Å
217	Q	89.3	Confident	93.2	Very high	141 Å²	141	45.8 Å²	45.8	66%	0.659	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.1	-171.3	-64.1	-180	12.1	0	0	115.2	K215	K215-Q217 PolarHBondContact O-N 3.43Å
218	N	93.1	Very high	93.3	Very high	77 Å²	77	47.5 Å²	47.5	41%	0.412	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-7.1	-179.4	-69	-12.4	0	0	0	114.5	L197 L216	L197-N218 CarbonylContact O-C 3.58Å; L197-N218 WeakPolarHBondContact O-CB 3.41Å; L216-N218 PolarHBondContact O-N 3.04Å
219	I	95.2	Very high	93.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.211	C	C	.	.			trans	-66.5	138.9	-171.8	-160.7	74.9	0	0	0	111.3	L197 L200 L216 L238 L240 L241	L197-I219 HydrophobicContact CB-CD1 3.93Å; L197-I219 VanDerWaalsContact O-CA 3.32Å; L197-I219 WeakPolarHBondContact O-CA 3.5Å; L197-I219 PolarHBondContact O-N 2.83Å; L197-I219 VanDerWaalsContact O-N 3.14Å; L200-I219 HydrophobicContact CB-CD1 3.71Å; L216-I219 HydrophobicContact CB-CB 4.2Å; L216-I219 HydrophobicContact CB-CG2 4.32Å; L216-I219 WeakPolarHBondContact O-CB 3.28Å; L216-I219 WeakPolarHBondContact O-CG2 3.43Å; L216-I219 PolarHBondContact O-N 2.88Å; I219-L238 HydrophobicContact CG2-CB 3.99Å; I219-L238 HydrophobicContact CG2-CD1 3.92Å; I219-L238 HydrophobicContact CG2-CD2 3.89Å; I219-L238 HydrophobicContact CG2-CG 4.14Å; I219-L240 CarbonylContact O-C 3.55Å; I219-L241 HydrophobicContact CG1-CD1 4.34Å; I219-L241 HydrophobicContact CG2-CD1 4.06Å; I219-L241 WeakPolarHBondContact O-CA 3.46Å; I219-L241 PolarHBondContact O-N 3.27Å; I219-L241 VanDerWaalsContact O-N 3.1Å
220	Q	96	Very high	93.5	Very high	72 Å²	72	43.3 Å²	43.3	34%	0.336	22%	0.215	S	C	.	.			trans	-125.7	-38.2	-175.3	-77.5	173.2	47.9	0	0	111.5	I198 L240 Y242 L243	I198-Q220 HydrophobicContact CG2-CB 3.95Å; I198-Q220 HydrophobicContact CG2-CG 4.2Å; I198-Q220 WeakPolarHBondContact O-CA 3.46Å; I198-Q220 WeakPolarHBondContact O-CB 3.45Å; I198-Q220 PolarHBondContact O-N 3.27Å; Q220-L240 HydrophobicContact CG-CB 4.34Å; Q220-L240 WeakPolarHBondContact CG-O 3.31Å; Q220-Y242 HydrophobicContact CB-CD1 3.81Å; Q220-Y242 HydrophobicContact CB-CE1 3.98Å; Q220-Y242 WeakPolarHBondContact O-CD1 3.43Å; Q220-Y242 PolarHBondContact O-N 3.08Å; Q220-L243 PolarHBondContact O-N 3.48Å; Q220-L243 VanDerWaalsContact O-N 3.15Å
221	V	97.1	Very high	93.5	Very high	30 Å²	30	44.7 Å²	44.7	18%	0.182	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.9	177.1	-177.7	0	0	0	0	109.5	I198 D199 L200 Y242 L243	I198-V221 PolarHBondContact O-N 3.43Å; D199-V221 HydrophobicContact CB-CB 4.38Å; D199-V221 WeakPolarHBondContact OD1-CG1 3.38Å; L200-V221 PolarHBondContact N-O 3.29Å; L200-V221 VanDerWaalsContact N-O 3.16Å; V221-Y242 HydrophobicContact CG2-CE1 3.49Å; V221-Y242 VanDerWaalsContact CG2-CE1 3.49Å; V221-Y242 WeakPolarHBondContact CG2-OH 3.39Å; V221-L243 HydrophobicContact CG1-CD2 4.35Å
222	L	96.8	Very high	93.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	106	177.5	-179.6	59.1	0	0	0	110.6	L200 L213 L224 L241 L243 I244 D245	L200-L222 HydrophobicContact CB-CD1 4.16Å; L200-L222 HydrophobicContact CD2-CD1 4.03Å; L200-L222 HydrophobicContact CG-CD1 4.11Å; L200-L222 WeakPolarHBondContact O-CA 3.37Å; L213-L222 HydrophobicContact CD1-CD1 4.45Å; L213-L222 HydrophobicContact CD1-CD2 4.17Å; L222-L224 HydrophobicContact CD1-CD1 4.17Å; L222-L224 HydrophobicContact CD1-CD2 4.46Å; L222-L224 HydrophobicContact CD1-CG 3.98Å; L222-L224 HydrophobicContact CD2-CD1 3.75Å; L222-L224 HydrophobicContact CD2-CG 4.43Å; L222-L224 HydrophobicContact CG-CD1 3.8Å; L222-L224 HydrophobicContact CG-CG 3.94Å; L222-L241 HydrophobicContact CB-CD1 3.71Å; L222-L241 HydrophobicContact CD2-CD2 4.5Å; L222-L243 PolarHBondContact N-O 3.49Å; L222-L243 VanDerWaalsContact N-O 3.09Å; L222-I244 HydrophobicContact CB-CG1 4.36Å; L222-I244 HydrophobicContact CD2-CD1 4.09Å; L222-I244 HydrophobicContact CD2-CG1 4.24Å; L222-I244 HydrophobicContact CG-CG1 4.35Å; L222-I244 WeakPolarHBondContact O-CA 3.38Å; L222-D245 PolarHBondContact O-N 3.43Å
223	D	97.6	Very high	93.8	Very high	24 Å²	24	39.5 Å²	39.5	13%	0.128	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.7	170.8	-174.4	-10.4	0	0	0	109.5	L200 C201 L202 R203 S225	L200-D223 PolarHBondContact O-N 3Å; C201-D223 HydrophobicContact CB-CB 4.49Å; L202-D223 CarbonylContact C-O 3.53Å; L202-D223 WeakPolarHBondContact CA-O 3.39Å; L202-D223 PolarHBondContact N-O 3.21Å; R203-D223 WeakPolarHBondContact CD-OD2 3.29Å; R203-D223 IonicContact CZ-OD2 3.92Å; R203-D223 PolarHBondContact N-O 2.99Å; R203-D223 IonicContact NH1-OD1 2.66Å; R203-D223 IonicContact NH1-OD2 2.57Å; R203-D223 PolarHBondContact NH1-OD2 3.45Å; D223-S225 WeakPolarHBondContact OD1-CB 3.2Å; D223-S225 PolarHBondContact OD1-N 3.26Å; D223-S225 PolarHBondContact OD1-OG 3.22Å
224	L	96.6	Very high	93.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.			trans	-114.7	14.8	174.5	-73.9	165.3	0	0	0	111.5	L202 L207 T210 L213 L222 N227 I229 D245 L246 N249	L202-L224 HydrophobicContact CB-CD2 3.92Å; L202-L224 HydrophobicContact CD1-CD2 4.05Å; L207-L224 HydrophobicContact CD1-CD2 3.73Å; T210-L224 HydrophobicContact CG2-CD1 3.67Å; L213-L224 HydrophobicContact CD1-CD1 4.37Å; L222-L224 HydrophobicContact CD1-CD1 4.17Å; L222-L224 HydrophobicContact CD1-CD2 4.46Å; L222-L224 HydrophobicContact CD1-CG 3.98Å; L222-L224 HydrophobicContact CD2-CD1 3.75Å; L222-L224 HydrophobicContact CD2-CG 4.43Å; L222-L224 HydrophobicContact CG-CD1 3.8Å; L222-L224 HydrophobicContact CG-CG 3.94Å; L224-N227 PolarHBondContact O-ND2 3.21Å; L224-I229 HydrophobicContact CB-CD1 3.92Å; L224-I229 HydrophobicContact CD1-CD1 4.26Å; L224-I229 HydrophobicContact CD2-CD1 4.09Å; L224-I229 HydrophobicContact CG-CD1 4.33Å; L224-D245 CarbonylContact C-O 3.59Å; L224-D245 WeakPolarHBondContact CA-O 3.32Å; L224-D245 WeakPolarHBondContact CB-O 3.42Å; L224-D245 PolarHBondContact N-O 2.77Å; L224-L246 HydrophobicContact CB-CD2 3.82Å; L224-L246 HydrophobicContact CD1-CD2 4.1Å; L224-N249 PolarHBondContact O-ND2 2.91Å
225	S	97.4	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.			trans	-63	154.3	-177.1	64.3	0	0	0	0	112.7	R203 G204 D223 N227 D245 E247	R203-S225 CarbonylContact C-O 3.58Å; R203-S225 WeakPolarHBondContact CA-O 3.32Å; R203-S225 WeakPolarHBondContact CG-OG 3.44Å; R203-S225 PolarHBondContact NH1-OG 3.45Å; R203-S225 VanDerWaalsContact NH1-OG 3.08Å; G204-S225 PolarHBondContact N-O 2.65Å; D223-S225 WeakPolarHBondContact OD1-CB 3.2Å; D223-S225 PolarHBondContact OD1-N 3.26Å; D223-S225 PolarHBondContact OD1-OG 3.22Å; S225-N227 PolarHBondContact O-N 2.93Å; S225-N227 PolarHBondContact O-ND2 2.86Å; S225-N227 VanDerWaalsContact O-ND2 3.16Å; S225-D245 PolarHBondContact N-O 3.4Å; S225-E247 CarbonylContact C-O 3.6Å; S225-E247 WeakPolarHBondContact CA-O 3.43Å; S225-E247 VanDerWaalsContact CB-O 3.26Å; S225-E247 WeakPolarHBondContact CB-O 3.29Å
226	R	96.9	Very high	93.4	Very high	103 Å²	103	32 Å²	32	39%	0.389	17%	0.167	S	C	.	.	S	Bend	trans	58.1	48.6	178.2	-57	176.3	-173.7	-168.6	5.3	112.2	Y183 G204 N205 E247 K248	Y183-R226 PolarHBondContact OH-NH1 2.89Å; G204-R226 CarbonylContact C-O 3.12Å; G204-R226 WeakPolarHBondContact CA-O 3.45Å; G204-R226 PolarHBondContact N-O 2.59Å; N205-R226 PolarHBondContact N-O 2.96Å; R226-E247 IonicContact CZ-OE1 2.6Å; R226-E247 PolarHBondContact N-O 3.04Å; R226-E247 IonicContact NE-OE1 3.86Å; R226-E247 PolarHBondContact NE-OE1 3.3Å; R226-E247 IonicContact NH2-OE1 2.79Å; R226-E247 PolarHBondContact NH2-OE1 3.02Å; R226-K248 VanDerWaalsContact CA-O 3.24Å; R226-K248 WeakPolarHBondContact CA-O 3.22Å; R226-K248 HydrophobicContact CG-CB 3.98Å; R226-K248 HydrophobicContact CG-CD 3.91Å; R226-K248 PolarHBondContact N-O 3.31Å
227	N	97.3	Very high	93.2	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.048	19%	0.19	C	C	.	.	S	Bend	trans	-120.2	-171.8	173.2	-83.3	-87.3	0	0	0	109.6	L202 N205 Q206 L207 L224 S225 I229 K248 N249	L202-N227 PolarHBondContact O-ND2 3.07Å; N205-N227 VanDerWaalsContact CA-OD1 3.28Å; N205-N227 WeakPolarHBondContact CA-OD1 3.24Å; N205-N227 WeakPolarHBondContact CB-OD1 3.47Å; N205-N227 PolarHBondContact N-OD1 2.87Å; N205-N227 PolarHBondContact O-OD1 3.27Å; Q206-N227 PolarHBondContact N-OD1 3.24Å; L207-N227 HydrophobicContact CB-CB 4.24Å; L207-N227 VanDerWaalsContact CB-OD1 3.31Å; L207-N227 WeakPolarHBondContact CB-OD1 3.24Å; L207-N227 WeakPolarHBondContact CG-OD1 3.41Å; L207-N227 PolarHBondContact N-OD1 3.14Å; L207-N227 VanDerWaalsContact N-OD1 3.1Å; L224-N227 PolarHBondContact O-ND2 3.21Å; S225-N227 PolarHBondContact O-N 2.93Å; S225-N227 PolarHBondContact O-ND2 2.86Å; S225-N227 VanDerWaalsContact O-ND2 3.16Å; N227-I229 HydrophobicContact CB-CD1 4.08Å; N227-I229 HydrophobicContact CB-CG1 3.98Å; N227-K248 PolarHBondContact N-O 2.84Å; N227-N249 WeakPolarHBondContact CA-OD1 3.47Å; N227-N249 WeakPolarHBondContact CB-OD1 3.16Å; N227-N249 PolarHBondContact O-OD1 3.4Å
228	C	96.4	Very high	93.3	Very high	37 Å²	37	29.7 Å²	29.7	25%	0.25	16%	0.159	C	C	.	.			trans	-110.9	29.1	178.8	-63	0	0	0	0	111.9	L207 H208 T230	L207-C228 CarbonylContact O-C 3.54Å; L207-C228 VanDerWaalsContact O-CA 3.24Å; L207-C228 WeakPolarHBondContact O-CA 3.33Å; L207-C228 WeakPolarHBondContact O-CB 3.45Å; L207-C228 PolarHBondContact O-N 2.78Å; H208-C228 VanDerWaalsContact CE1-CB 3.43Å; H208-C228 WeakPolarHBondContact CE1-CB 3.25Å; H208-C228 WeakPolarHBondContact ND1-CB 2.79Å; H208-C228 PolarHBondContact ND1-O 2.58Å; C228-T230 PolarHBondContact O-N 3.4Å
229	I	96	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.			trans	-71.2	121.9	-170.4	-60.5	167.6	0	0	0	109.9	L207 H208 T210 L224 N227 S231 I232 L246 N249 Q250 I251	L207-I229 HydrophobicContact CB-CD1 4.42Å; L207-I229 HydrophobicContact CB-CG1 4.1Å; L207-I229 WeakPolarHBondContact O-CG1 3.3Å; L207-I229 PolarHBondContact O-N 2.92Å; L207-I229 VanDerWaalsContact O-N 3.15Å; H208-I229 WeakPolarHBondContact O-CA 3.35Å; T210-I229 HydrophobicContact CG2-CD1 4.21Å; T210-I229 HydrophobicContact CG2-CG2 4.47Å; L224-I229 HydrophobicContact CB-CD1 3.92Å; L224-I229 HydrophobicContact CD1-CD1 4.26Å; L224-I229 HydrophobicContact CD2-CD1 4.09Å; L224-I229 HydrophobicContact CG-CD1 4.33Å; N227-I229 HydrophobicContact CB-CD1 4.08Å; N227-I229 HydrophobicContact CB-CG1 3.98Å; I229-S231 WeakPolarHBondContact CG2-O 3.15Å; I229-I232 HydrophobicContact CG2-CG2 3.92Å; I229-L246 HydrophobicContact CD1-CD2 4.24Å; I229-N249 HydrophobicContact CB-CB 4.32Å; I229-N249 VanDerWaalsContact CB-OD1 3.25Å; I229-N249 WeakPolarHBondContact CB-OD1 3.29Å; I229-N249 WeakPolarHBondContact CG1-OD1 3.43Å; I229-N249 PolarHBondContact N-OD1 2.97Å; I229-Q250 CarbonylContact O-C 3.53Å; I229-Q250 VanDerWaalsContact O-C 3.24Å; I229-Q250 WeakPolarHBondContact O-CA 3.4Å; I229-Q250 PolarHBondContact O-N 3.49Å; I229-I251 PolarHBondContact O-N 2.77Å
230	T	93.4	Very high	93.1	Very high	61 Å²	61	38 Å²	38	37%	0.374	19%	0.191	S	C	.	.	S	Bend	trans	-98	-35.2	176.3	53	0	0	0	0	112.5	H208 C228 Q250	H208-T230 PolarHBondContact O-N 2.84Å; H208-T230 VanDerWaalsContact O-N 3.12Å; H208-T230 PolarHBondContact O-OG1 2.89Å; C228-T230 PolarHBondContact O-N 3.4Å; T230-Q250 HydrophobicContact CG2-CB 3.83Å
231	S	91	Very high	93	Very high	29 Å²	29	34.6 Å²	34.6	20%	0.203	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-133.1	140.8	176.5	-178.5	0	0	0	0	111.5	I229 D256	I229-S231 WeakPolarHBondContact CG2-O 3.15Å; S231-D256 VanDerWaalsContact CB-OD1 3.27Å; S231-D256 WeakPolarHBondContact CB-OD1 3.27Å; S231-D256 PolarHBondContact OG-OD1 3.3Å
232	I	91	Very high	92.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.			trans	-101.8	33.2	-176.2	62.1	-164.6	0	0	0	112	T210 I229 I235 L246 I251 D256 L257 Y259 V260	T210-I232 VanDerWaalsContact OG1-CA 3.28Å; T210-I232 WeakPolarHBondContact OG1-CA 3.37Å; T210-I232 PolarHBondContact OG1-O 3.07Å; I229-I232 HydrophobicContact CG2-CG2 3.92Å; I232-I235 HydrophobicContact CB-CD1 3.97Å; I232-I235 HydrophobicContact CG1-CD1 4.27Å; I232-I235 WeakPolarHBondContact O-CG1 3.46Å; I232-L246 HydrophobicContact CD1-CD1 4.48Å; I232-L246 HydrophobicContact CG2-CD1 4.09Å; I232-L246 HydrophobicContact CG2-CD2 4.18Å; I232-I251 HydrophobicContact CD1-CD1 4.45Å; I232-I251 HydrophobicContact CG2-CD1 3.67Å; I232-I251 HydrophobicContact CG2-CG1 4.31Å; I232-D256 HydrophobicContact CG1-CB 4.37Å; I232-D256 WeakPolarHBondContact CG1-O 3.21Å; I232-L257 HydrophobicContact CD1-CD2 3.88Å; I232-Y259 HydrophobicContact CG1-CD2 4.29Å; I232-V260 HydrophobicContact CD1-CG2 3.38Å; I232-V260 HydrophobicContact CG1-CG2 4.21Å
233	S	88.7	Confident	92.8	Very high	32 Å²	32	39.6 Å²	39.6	22%	0.224	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	133.5	172.1	58.1	0	0	0	0	111.7	T210	T210-S233 CarbonylContact C-O 3.42Å; T210-S233 PolarHBondContact OG1-N 2.91Å; T210-S233 PolarHBondContact OG1-O 2.73Å
234	G	84.4	Confident	92.7	Very high	7 Å²	7	38.5 Å²	38.5	7%	0.072	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	120	-24.5	177.7	0	0	0	0	0	113.5	E214 Q236	E214-G234 WeakPolarHBondContact CA-O 3.48Å; E214-G234 WeakPolarHBondContact CB-O 3.37Å; E214-G234 WeakPolarHBondContact CG-O 3.34Å; G234-Q236 VanDerWaalsContact CA-OE1 3.23Å; G234-Q236 PolarHBondContact O-N 3.26Å
235	I	89.7	Confident	92.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-81.7	-6.4	-178.2	68.2	-173	0	0	0	114.6	T210 I232 N237 L238 I244 V260 L263	T210-I235 HydrophobicContact CG2-CG2 4.27Å; I232-I235 HydrophobicContact CB-CD1 3.97Å; I232-I235 HydrophobicContact CG1-CD1 4.27Å; I232-I235 WeakPolarHBondContact O-CG1 3.46Å; I235-N237 PolarHBondContact O-N 2.91Å; I235-L238 HydrophobicContact CB-CD1 3.77Å; I235-L238 HydrophobicContact CB-CG 4.42Å; I235-L238 HydrophobicContact CG2-CD1 3.91Å; I235-L238 WeakPolarHBondContact O-CB 3.18Å; I235-L238 VanDerWaalsContact O-CG 3.27Å; I235-L238 WeakPolarHBondContact O-CG 3.44Å; I235-L238 PolarHBondContact O-N 3.41Å; I235-I244 HydrophobicContact CD1-CD1 3.86Å; I235-V260 HydrophobicContact CD1-CG2 3.66Å; I235-L263 WeakPolarHBondContact O-CD2 3.29Å
236	Q	87.6	Confident	92.7	Very high	44 Å²	44	39.5 Å²	39.5	21%	0.206	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.1	-168.3	-54	87.9	-7.8	0	0	114.2	G234 Y259 L263	G234-Q236 VanDerWaalsContact CA-OE1 3.23Å; G234-Q236 PolarHBondContact O-N 3.26Å; Q236-Y259 HydrophobicContact CG-CD1 3.49Å; Q236-Y259 VanDerWaalsContact CG-CD1 3.49Å; Q236-Y259 HydrophobicContact CG-CE1 4.39Å; Q236-Y259 HydrophobicContact CG-CG 3.96Å; Q236-L263 WeakPolarHBondContact O-CD2 3.49Å
237	N	85.7	Confident	92.7	Very high	93 Å²	93	35.7 Å²	35.7	50%	0.497	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-94.9	2.9	-174.8	-69.2	-76	0	0	0	114.1	I235 R239	I235-N237 PolarHBondContact O-N 2.91Å; N237-R239 PolarHBondContact O-N 3.09Å
238	L	91	Very high	92.7	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.194	C	C	.	.			trans	-81	63.8	-174	-56.9	-179.7	0	0	0	112	L216 I219 I235 L240 L241 L263	L216-L238 HydrophobicContact CB-CD2 4.18Å; L216-L238 WeakPolarHBondContact O-CD2 3.42Å; I219-L238 HydrophobicContact CG2-CB 3.99Å; I219-L238 HydrophobicContact CG2-CD1 3.92Å; I219-L238 HydrophobicContact CG2-CD2 3.89Å; I219-L238 HydrophobicContact CG2-CG 4.14Å; I235-L238 HydrophobicContact CB-CD1 3.77Å; I235-L238 HydrophobicContact CB-CG 4.42Å; I235-L238 HydrophobicContact CG2-CD1 3.91Å; I235-L238 WeakPolarHBondContact O-CB 3.18Å; I235-L238 VanDerWaalsContact O-CG 3.27Å; I235-L238 WeakPolarHBondContact O-CG 3.44Å; I235-L238 PolarHBondContact O-N 3.41Å; L238-L240 PolarHBondContact O-N 3.33Å; L238-L241 HydrophobicContact CB-CB 4.11Å; L238-L241 HydrophobicContact CD1-CD2 4.5Å; L238-L241 VanDerWaalsContact O-CB 3.25Å; L238-L241 WeakPolarHBondContact O-CB 3.41Å; L238-L241 PolarHBondContact O-N 3.31Å; L238-L263 HydrophobicContact CB-CD2 4.47Å
239	R	89.8	Confident	92.7	Very high	175 Å²	175	37.8 Å²	37.8	66%	0.66	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.6	-168.3	-66.8	179.1	-177.5	-179.2	0.6	116.2	N237 P264 M265	N237-R239 PolarHBondContact O-N 3.09Å; R239-P264 HydrophobicContact CB-CG 4.38Å; R239-M265 VanDerWaalsContact O-CG 3.23Å; R239-M265 WeakPolarHBondContact O-CG 3.49Å
240	L	93.8	Very high	92.7	Very high	80 Å²	80	42 Å²	42	42%	0.419	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-2.8	179.3	-63.3	-178.7	0	0	0	113.6	I219 Q220 L238 Y242	I219-L240 CarbonylContact O-C 3.55Å; Q220-L240 HydrophobicContact CG-CB 4.34Å; Q220-L240 WeakPolarHBondContact CG-O 3.31Å; L238-L240 PolarHBondContact O-N 3.33Å; L240-Y242 PolarHBondContact O-N 3.15Å
241	L	94.4	Very high	92.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.			trans	-66	117.6	-179.7	-170	71.4	0	0	0	110	I219 L222 L238 L243 I244 L263 M265 L266	I219-L241 HydrophobicContact CG1-CD1 4.34Å; I219-L241 HydrophobicContact CG2-CD1 4.06Å; I219-L241 WeakPolarHBondContact O-CA 3.46Å; I219-L241 PolarHBondContact O-N 3.27Å; I219-L241 VanDerWaalsContact O-N 3.1Å; L222-L241 HydrophobicContact CB-CD1 3.71Å; L222-L241 HydrophobicContact CD2-CD2 4.5Å; L238-L241 HydrophobicContact CB-CB 4.11Å; L238-L241 HydrophobicContact CD1-CD2 4.5Å; L238-L241 VanDerWaalsContact O-CB 3.25Å; L238-L241 WeakPolarHBondContact O-CB 3.41Å; L238-L241 PolarHBondContact O-N 3.31Å; L241-L243 WeakPolarHBondContact CD1-O 3.47Å; L241-I244 HydrophobicContact CD2-CB 4.08Å; L241-I244 HydrophobicContact CD2-CD1 4.22Å; L241-I244 HydrophobicContact CD2-CG1 4.46Å; L241-L263 HydrophobicContact CD2-CD1 3.91Å; L241-M265 CarbonylContact O-C 3.59Å; L241-L266 HydrophobicContact CD2-CD1 4.41Å; L241-L266 HydrophobicContact CG-CD1 4.3Å; L241-L266 WeakPolarHBondContact O-CA 3.27Å; L241-L266 PolarHBondContact O-N 2.87Å
242	Y	94.8	Very high	92.7	Very high	94 Å²	94	43 Å²	43	37%	0.369	20%	0.203	S	C	.	.			trans	-104.6	-29.3	177.9	84.6	-95.2	0	0	0	112.7	Q220 V221 L240 M265 T267 N268	Q220-Y242 HydrophobicContact CB-CD1 3.81Å; Q220-Y242 HydrophobicContact CB-CE1 3.98Å; Q220-Y242 WeakPolarHBondContact O-CD1 3.43Å; Q220-Y242 PolarHBondContact O-N 3.08Å; V221-Y242 HydrophobicContact CG2-CE1 3.49Å; V221-Y242 VanDerWaalsContact CG2-CE1 3.49Å; V221-Y242 WeakPolarHBondContact CG2-OH 3.39Å; L240-Y242 PolarHBondContact O-N 3.15Å; Y242-M265 WeakPolarHBondContact CA-O 3.47Å; Y242-T267 PolarHBondContact O-N 3.22Å; Y242-T267 PolarHBondContact O-OG1 2.82Å; Y242-N268 PolarHBondContact O-N 2.84Å
243	L	96.3	Very high	92.6	Very high	42 Å²	42	47.8 Å²	47.8	22%	0.22	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.5	179.2	-171.7	158.2	0	0	0	110.8	Q220 V221 L222 L241 D245 N268	Q220-L243 PolarHBondContact O-N 3.48Å; Q220-L243 VanDerWaalsContact O-N 3.15Å; V221-L243 HydrophobicContact CG1-CD2 4.35Å; L222-L243 PolarHBondContact N-O 3.49Å; L222-L243 VanDerWaalsContact N-O 3.09Å; L241-L243 WeakPolarHBondContact CD1-O 3.47Å; L243-D245 HydrophobicContact CD2-CB 4.49Å; L243-N268 WeakPolarHBondContact CA-O 3.35Å; L243-N268 HydrophobicContact CB-CB 4.08Å; L243-N268 HydrophobicContact CD1-CB 4.13Å; L243-N268 HydrophobicContact CG-CB 3.81Å
244	I	95.7	Very high	92.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.1	166.1	-164.6	174.2	0	0	0	110.3	L222 I235 L241 L246 L266 N268 L269 N270	L222-I244 HydrophobicContact CB-CG1 4.36Å; L222-I244 HydrophobicContact CD2-CD1 4.09Å; L222-I244 HydrophobicContact CD2-CG1 4.24Å; L222-I244 HydrophobicContact CG-CG1 4.35Å; L222-I244 WeakPolarHBondContact O-CA 3.38Å; I235-I244 HydrophobicContact CD1-CD1 3.86Å; L241-I244 HydrophobicContact CD2-CB 4.08Å; L241-I244 HydrophobicContact CD2-CD1 4.22Å; L241-I244 HydrophobicContact CD2-CG1 4.46Å; I244-L246 HydrophobicContact CD1-CD1 4.01Å; I244-L246 HydrophobicContact CD1-CG 4.3Å; I244-L246 HydrophobicContact CG1-CD1 4.31Å; I244-L246 HydrophobicContact CG1-CG 4.23Å; I244-L266 HydrophobicContact CB-CD1 4.36Å; I244-L266 HydrophobicContact CG2-CD1 3.93Å; I244-L266 HydrophobicContact CG2-CD2 4.45Å; I244-N268 PolarHBondContact N-O 2.99Å; I244-N268 VanDerWaalsContact N-O 3.08Å; I244-L269 HydrophobicContact CG2-CD1 3.48Å; I244-L269 VanDerWaalsContact CG2-CD1 3.48Å; I244-N270 PolarHBondContact O-N 3.39Å; I244-N270 VanDerWaalsContact O-N 3.1Å
245	D	96.9	Very high	92.6	Very high	21 Å²	21	54.4 Å²	54.4	11%	0.112	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.4	172	-158.7	-39.9	0	0	0	110.5	L222 L224 S225 L243 E247 N270	L222-D245 PolarHBondContact O-N 3.43Å; L224-D245 CarbonylContact C-O 3.59Å; L224-D245 WeakPolarHBondContact CA-O 3.32Å; L224-D245 WeakPolarHBondContact CB-O 3.42Å; L224-D245 PolarHBondContact N-O 2.77Å; S225-D245 PolarHBondContact N-O 3.4Å; L243-D245 HydrophobicContact CD2-CB 4.49Å; D245-E247 VanDerWaalsContact OD1-CB 3.31Å; D245-E247 WeakPolarHBondContact OD1-CB 3.32Å; D245-E247 PolarHBondContact OD1-N 3.41Å; D245-N270 HydrophobicContact CB-CB 4.37Å; D245-N270 PolarHBondContact OD1-ND2 3.31Å; D245-N270 PolarHBondContact OD2-ND2 3.27Å
246	L	95.9	Very high	92.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.258	C	S	.	.			trans	-126.9	18	178.8	-68.2	160.1	0	0	0	111.1	L224 I229 I232 I244 K248 N249 I251 N270 L271 N274	L224-L246 HydrophobicContact CB-CD2 3.82Å; L224-L246 HydrophobicContact CD1-CD2 4.1Å; I229-L246 HydrophobicContact CD1-CD2 4.24Å; I232-L246 HydrophobicContact CD1-CD1 4.48Å; I232-L246 HydrophobicContact CG2-CD1 4.09Å; I232-L246 HydrophobicContact CG2-CD2 4.18Å; I244-L246 HydrophobicContact CD1-CD1 4.01Å; I244-L246 HydrophobicContact CD1-CG 4.3Å; I244-L246 HydrophobicContact CG1-CD1 4.31Å; I244-L246 HydrophobicContact CG1-CG 4.23Å; L246-K248 PolarHBondContact O-N 3.25Å; L246-N249 PolarHBondContact O-ND2 3.37Å; L246-I251 HydrophobicContact CB-CD1 4.31Å; L246-I251 HydrophobicContact CD1-CD1 3.96Å; L246-I251 HydrophobicContact CD2-CD1 4.39Å; L246-I251 HydrophobicContact CG-CD1 4.46Å; L246-N270 CarbonylContact C-O 3.56Å; L246-N270 WeakPolarHBondContact CA-O 3.47Å; L246-N270 WeakPolarHBondContact CB-O 3.44Å; L246-N270 PolarHBondContact N-O 2.75Å; L246-L271 HydrophobicContact CB-CD2 3.97Å; L246-L271 HydrophobicContact CD1-CD2 3.9Å; L246-N274 PolarHBondContact O-ND2 3.15Å
247	E	97.1	Very high	92.3	Very high	23 Å²	23	53.8 Å²	53.8	11%	0.107	25%	0.249	C	C	.	.			trans	-44.1	134.5	175.1	164.2	-168	139.5	0	0	110.3	R203 S225 R226 D245 L272	R203-E247 IonicContact NH2-OE1 3.46Å; R203-E247 IonicContact NH2-OE2 3.88Å; S225-E247 CarbonylContact C-O 3.6Å; S225-E247 WeakPolarHBondContact CA-O 3.43Å; S225-E247 VanDerWaalsContact CB-O 3.26Å; S225-E247 WeakPolarHBondContact CB-O 3.29Å; R226-E247 IonicContact CZ-OE1 2.6Å; R226-E247 PolarHBondContact N-O 3.04Å; R226-E247 IonicContact NE-OE1 3.86Å; R226-E247 PolarHBondContact NE-OE1 3.3Å; R226-E247 IonicContact NH2-OE1 2.79Å; R226-E247 PolarHBondContact NH2-OE1 3.02Å; D245-E247 VanDerWaalsContact OD1-CB 3.31Å; D245-E247 WeakPolarHBondContact OD1-CB 3.32Å; D245-E247 PolarHBondContact OD1-N 3.41Å; E247-L272 CarbonylContact C-O 3.44Å; E247-L272 VanDerWaalsContact CA-O 3.24Å; E247-L272 WeakPolarHBondContact CA-O 3.38Å; E247-L272 HydrophobicContact CB-CB 4.48Å; E247-L272 HydrophobicContact CG-CB 4.48Å
248	K	96.3	Very high	92.4	Very high	81 Å²	81	53.2 Å²	53.2	35%	0.352	24%	0.243	S	C	.	.	S	Bend	trans	55	66.5	176.5	-64.9	169	-179.3	71.6	0	112	R226 N227 L246 L272 D273	R226-K248 VanDerWaalsContact CA-O 3.24Å; R226-K248 WeakPolarHBondContact CA-O 3.22Å; R226-K248 HydrophobicContact CG-CB 3.98Å; R226-K248 HydrophobicContact CG-CD 3.91Å; R226-K248 PolarHBondContact N-O 3.31Å; N227-K248 PolarHBondContact N-O 2.84Å; L246-K248 PolarHBondContact O-N 3.25Å; K248-L272 PolarHBondContact N-O 2.92Å; K248-D273 HydrophobicContact CB-CB 4.47Å; K248-D273 WeakPolarHBondContact CE-OD2 3.39Å; K248-D273 HydrophobicContact CG-CB 3.55Å; K248-D273 IonicContact NZ-OD2 2.81Å; K248-D273 PolarHBondContact NZ-OD2 3.43Å
249	N	96.9	Very high	92.2	Very high	8 Å²	8	56 Å²	56	4%	0.043	25%	0.254	C	S	.	.			trans	-128	-173	168.4	-84.8	-76.7	0	0	0	109.6	L224 N227 I229 L246 N274	L224-N249 PolarHBondContact O-ND2 2.91Å; N227-N249 WeakPolarHBondContact CA-OD1 3.47Å; N227-N249 WeakPolarHBondContact CB-OD1 3.16Å; N227-N249 PolarHBondContact O-OD1 3.4Å; I229-N249 HydrophobicContact CB-CB 4.32Å; I229-N249 VanDerWaalsContact CB-OD1 3.25Å; I229-N249 WeakPolarHBondContact CB-OD1 3.29Å; I229-N249 WeakPolarHBondContact CG1-OD1 3.43Å; I229-N249 PolarHBondContact N-OD1 2.97Å; L246-N249 PolarHBondContact O-ND2 3.37Å; N249-N274 WeakPolarHBondContact CA-OD1 3.3Å; N249-N274 WeakPolarHBondContact CB-OD1 3.14Å; N249-N274 PolarHBondContact N-ND2 3.47Å; N249-N274 PolarHBondContact O-OD1 3.38Å
250	Q	95.7	Very high	91.9	Very high	89 Å²	89	47.8 Å²	47.8	42%	0.416	22%	0.223	S	C	.	.			trans	-114.4	29	-172.5	-60.2	-179.5	18.2	0	0	111.9	I229 T230 M252	I229-Q250 CarbonylContact O-C 3.53Å; I229-Q250 VanDerWaalsContact O-C 3.24Å; I229-Q250 WeakPolarHBondContact O-CA 3.4Å; I229-Q250 PolarHBondContact O-N 3.49Å; T230-Q250 HydrophobicContact CG2-CB 3.83Å; Q250-M252 PolarHBondContact O-N 3.44Å
251	I	94.6	Very high	91.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.215	C	C	.	.			trans	-72	116.7	177.8	-56.1	168.7	0	0	0	108.2	I229 I232 L246 D256 L271 N274 P275 V276	I229-I251 PolarHBondContact O-N 2.77Å; I232-I251 HydrophobicContact CD1-CD1 4.45Å; I232-I251 HydrophobicContact CG2-CD1 3.67Å; I232-I251 HydrophobicContact CG2-CG1 4.31Å; L246-I251 HydrophobicContact CB-CD1 4.31Å; L246-I251 HydrophobicContact CD1-CD1 3.96Å; L246-I251 HydrophobicContact CD2-CD1 4.39Å; L246-I251 HydrophobicContact CG-CD1 4.46Å; I251-D256 HydrophobicContact CG2-CB 4.36Å; I251-L271 HydrophobicContact CD1-CD2 3.77Å; I251-N274 HydrophobicContact CB-CB 4.49Å; I251-N274 WeakPolarHBondContact CB-OD1 3.1Å; I251-N274 PolarHBondContact N-OD1 2.71Å; I251-P275 WeakPolarHBondContact O-CD 3.46Å; I251-V276 HydrophobicContact CG2-CB 4.41Å; I251-V276 HydrophobicContact CG2-CG1 4.38Å; I251-V276 WeakPolarHBondContact O-CB 3.42Å; I251-V276 PolarHBondContact O-N 2.96Å
252	M	90.9	Very high	90.6	Very high	112 Å²	112	52.7 Å²	52.7	55%	0.552	25%	0.245	S	C	*	.			trans	-100.1	-40.6	-176	-60	-174	-68.1	0	0	113.2	Q250 P275 V276 H279	Q250-M252 PolarHBondContact O-N 3.44Å; M252-P275 HydrophobicContact CG-CB 4.13Å; M252-P275 HydrophobicContact CG-CG 4.29Å; M252-V276 WeakPolarHBondContact O-CA 3.47Å; M252-H279 PolarHBondContact O-CD2 3.5Å; M252-H279 PolarHBondContact O-NE2 3.27Å
253	E	88.5	Confident	90.3	Very high	99 Å²	99	48.3 Å²	48.3	46%	0.463	23%	0.227	S	C	.	.			trans	-106.7	140.1	-169.4	-62.8	-57.8	162.7	0	0	113.2	E255 D256 H279	E253-E255 HydrophobicContact CB-CB 4.35Å; E253-E255 PolarHBondContact O-N 2.85Å; E253-D256 PolarHBondContact O-N 2.91Å; E253-H279 IonicContact OE2-CE1 2.77Å; E253-H279 IonicContact OE2-NE2 3.24Å; E253-H279 PolarHBondContact OE2-NE2 3.3Å
254	I	86.8	Confident	89.9	Confident	34 Å²	34	50.1 Å²	50.1	17%	0.174	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.7	-25.2	172.8	-63.9	178.8	0	0	0	110.5	D256 L257 V276 H279 T285 L289	I254-D256 VanDerWaalsContact C-N 3.26Å; I254-D256 PolarHBondContact O-N 2.93Å; I254-L257 HydrophobicContact CG2-CD1 4.48Å; I254-L257 WeakPolarHBondContact O-CB 3.24Å; I254-L257 PolarHBondContact O-N 3.3Å; I254-L257 VanDerWaalsContact O-N 3.08Å; I254-V276 HydrophobicContact CG1-CG2 3.67Å; I254-H279 HydrophobicContact CD1-CB 3.81Å; I254-H279 HydrophobicContact CG1-CB 4.46Å; I254-T285 HydrophobicContact CD1-CG2 4.02Å; I254-T285 HydrophobicContact CG2-CG2 4.03Å; I254-L289 HydrophobicContact CG2-CD1 3.79Å
255	E	86.1	Confident	89.6	Confident	144 Å²	144	55.1 Å²	55.1	67%	0.673	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.7	-29.6	175.2	-78.7	-156.9	-154.4	0	0	114.3	E253 L257 K258	E253-E255 HydrophobicContact CB-CB 4.35Å; E253-E255 PolarHBondContact O-N 2.85Å; E255-L257 PolarHBondContact O-N 2.99Å; E255-K258 WeakPolarHBondContact O-CD 3.41Å; E255-K258 VanDerWaalsContact O-CE 3.27Å; E255-K258 WeakPolarHBondContact O-CE 3.2Å; E255-K258 WeakPolarHBondContact O-CG 3.45Å; E255-K258 PolarHBondContact O-N 3.5Å; E255-K258 PolarHBondContact O-NZ 2.94Å; E255-K258 IonicContact OE2-NZ 2.84Å
256	D	85.6	Confident	89.5	Confident	27 Å²	27	54.2 Å²	54.2	14%	0.144	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-70.3	-24.2	177.2	-85	-71.1	0	0	0	112.4	S231 I232 I251 E253 I254 K258 Y259	S231-D256 VanDerWaalsContact CB-OD1 3.27Å; S231-D256 WeakPolarHBondContact CB-OD1 3.27Å; S231-D256 PolarHBondContact OG-OD1 3.3Å; I232-D256 HydrophobicContact CG1-CB 4.37Å; I232-D256 WeakPolarHBondContact CG1-O 3.21Å; I251-D256 HydrophobicContact CG2-CB 4.36Å; E253-D256 PolarHBondContact O-N 2.91Å; I254-D256 VanDerWaalsContact C-N 3.26Å; I254-D256 PolarHBondContact O-N 2.93Å; D256-K258 PolarHBondContact O-N 2.92Å; D256-K258 VanDerWaalsContact O-N 3.14Å; D256-Y259 VanDerWaalsContact O-CD2 3.25Å; D256-Y259 WeakPolarHBondContact O-CD2 3.32Å; D256-Y259 PolarHBondContact O-N 2.93Å
257	L	86.6	Confident	89.4	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.1	-13.6	-179.7	-53.4	-177.3	0	0	0	112.9	I232 I254 E255 Y259 V260 I261 L271 V286	I232-L257 HydrophobicContact CD1-CD2 3.88Å; I254-L257 HydrophobicContact CG2-CD1 4.48Å; I254-L257 WeakPolarHBondContact O-CB 3.24Å; I254-L257 PolarHBondContact O-N 3.3Å; I254-L257 VanDerWaalsContact O-N 3.08Å; E255-L257 PolarHBondContact O-N 2.99Å; L257-Y259 PolarHBondContact O-N 3.05Å; L257-Y259 VanDerWaalsContact O-N 3.11Å; L257-V260 WeakPolarHBondContact O-CA 3.29Å; L257-V260 WeakPolarHBondContact O-CB 3.48Å; L257-V260 PolarHBondContact O-N 2.91Å; L257-I261 HydrophobicContact CB-CD1 4.26Å; L257-I261 VanDerWaalsContact O-CD1 3.27Å; L257-I261 WeakPolarHBondContact O-CD1 3.49Å; L257-I261 WeakPolarHBondContact O-CG1 3.36Å; L257-I261 PolarHBondContact O-N 3.18Å; L257-I261 VanDerWaalsContact O-N 3.08Å; L257-L271 HydrophobicContact CD1-CD1 4.15Å; L257-L271 HydrophobicContact CD2-CD1 3.83Å; L257-L271 HydrophobicContact CD2-CD2 4.29Å; L257-V286 HydrophobicContact CD1-CG2 3.59Å
258	K	86.3	Confident	89.3	Confident	82 Å²	82	57.6 Å²	57.6	36%	0.357	28%	0.282	S	S	.	.	H	α-helix	trans	-50.2	-36.2	173.3	69	-166.9	162.4	-108.8	0	112.6	E255 D256 V260 I261	E255-K258 WeakPolarHBondContact O-CD 3.41Å; E255-K258 VanDerWaalsContact O-CE 3.27Å; E255-K258 WeakPolarHBondContact O-CE 3.2Å; E255-K258 WeakPolarHBondContact O-CG 3.45Å; E255-K258 PolarHBondContact O-N 3.5Å; E255-K258 PolarHBondContact O-NZ 2.94Å; E255-K258 IonicContact OE2-NZ 2.84Å; D256-K258 PolarHBondContact O-N 2.92Å; D256-K258 VanDerWaalsContact O-N 3.14Å; K258-V260 VanDerWaalsContact C-N 3.28Å; K258-V260 PolarHBondContact O-N 3.3Å; K258-I261 PolarHBondContact O-N 2.7Å
259	Y	86.6	Confident	89.2	Confident	61 Å²	61	54 Å²	54	24%	0.239	27%	0.267	C	S	.	.	H	α-helix	trans	-71.6	-18.2	179.1	-55.7	-42.9	0	0	0	114.5	I232 Q236 D256 L257	I232-Y259 HydrophobicContact CG1-CD2 4.29Å; Q236-Y259 HydrophobicContact CG-CD1 3.49Å; Q236-Y259 VanDerWaalsContact CG-CD1 3.49Å; Q236-Y259 HydrophobicContact CG-CE1 4.39Å; Q236-Y259 HydrophobicContact CG-CG 3.96Å; D256-Y259 VanDerWaalsContact O-CD2 3.25Å; D256-Y259 WeakPolarHBondContact O-CD2 3.32Å; D256-Y259 PolarHBondContact O-N 2.93Å; L257-Y259 PolarHBondContact O-N 3.05Å; L257-Y259 VanDerWaalsContact O-N 3.11Å
260	V	84.9	Confident	89.2	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-94.7	-32.7	177.9	177.7	0	0	0	0	110.9	I232 I235 L257 K258 E262 L263 L266 L269	I232-V260 HydrophobicContact CD1-CG2 3.38Å; I232-V260 HydrophobicContact CG1-CG2 4.21Å; I235-V260 HydrophobicContact CD1-CG2 3.66Å; L257-V260 WeakPolarHBondContact O-CA 3.29Å; L257-V260 WeakPolarHBondContact O-CB 3.48Å; L257-V260 PolarHBondContact O-N 2.91Å; K258-V260 VanDerWaalsContact C-N 3.28Å; K258-V260 PolarHBondContact O-N 3.3Å; V260-E262 VanDerWaalsContact C-N 3.31Å; V260-E262 PolarHBondContact O-N 2.8Å; V260-L263 VanDerWaalsContact O-CB 3.32Å; V260-L263 WeakPolarHBondContact O-CB 3.46Å; V260-L263 WeakPolarHBondContact O-CG 3.22Å; V260-L263 PolarHBondContact O-N 2.61Å; V260-L266 HydrophobicContact CG1-CD2 3.21Å; V260-L269 HydrophobicContact CG1-CD1 4.21Å; V260-L269 HydrophobicContact CG1-CD2 4.11Å
261	I	78.4	Confident	89.2	Confident	51 Å²	51	49.7 Å²	49.7	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-69.1	-27.8	-178.5	-66.2	151.4	0	0	0	112.2	L257 K258 L263 L289 H290	L257-I261 HydrophobicContact CB-CD1 4.26Å; L257-I261 VanDerWaalsContact O-CD1 3.27Å; L257-I261 WeakPolarHBondContact O-CD1 3.49Å; L257-I261 WeakPolarHBondContact O-CG1 3.36Å; L257-I261 PolarHBondContact O-N 3.18Å; L257-I261 VanDerWaalsContact O-N 3.08Å; K258-I261 PolarHBondContact O-N 2.7Å; I261-L263 PolarHBondContact O-N 3.27Å; I261-L289 HydrophobicContact CD1-CB 3.5Å; I261-L289 HydrophobicContact CD1-CD1 3.87Å; I261-L289 HydrophobicContact CD1-CD2 4.21Å; I261-L289 HydrophobicContact CD1-CG 4.06Å; I261-L289 HydrophobicContact CG1-CB 3.96Å; I261-L289 WeakPolarHBondContact CG2-O 3.29Å; I261-H290 HydrophobicContact CG1-CB 4.22Å
262	E	81.1	Confident	89.2	Confident	132 Å²	132	51.9 Å²	51.9	62%	0.617	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-5.1	175.2	-68.4	179.7	168.3	0	0	113.8	V260 P264	V260-E262 VanDerWaalsContact C-N 3.31Å; V260-E262 PolarHBondContact O-N 2.8Å; E262-P264 WeakPolarHBondContact O-CD 3.28Å
263	L	88.4	Confident	89.4	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.256	C	S	.	.			trans	-87.3	110.6	-174.9	-58	-178.7	0	0	0	112.6	I235 Q236 L238 L241 V260 I261 M265 L266	I235-L263 WeakPolarHBondContact O-CD2 3.29Å; Q236-L263 WeakPolarHBondContact O-CD2 3.49Å; L238-L263 HydrophobicContact CB-CD2 4.47Å; L241-L263 HydrophobicContact CD2-CD1 3.91Å; V260-L263 VanDerWaalsContact O-CB 3.32Å; V260-L263 WeakPolarHBondContact O-CB 3.46Å; V260-L263 WeakPolarHBondContact O-CG 3.22Å; V260-L263 PolarHBondContact O-N 2.61Å; I261-L263 PolarHBondContact O-N 3.27Å; L263-M265 VanDerWaalsContact C-N 3.35Å; L263-M265 PolarHBondContact O-N 3.39Å; L263-L266 HydrophobicContact CB-CB 3.89Å; L263-L266 PolarHBondContact O-N 3.07Å
264	P	87.7	Confident	89.7	Confident	81 Å²	81	46.6 Å²	46.6	53%	0.526	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.5	-168.3	29.9	-36.9	0	0	0	114.6	R239 E262	R239-P264 HydrophobicContact CB-CG 4.38Å; E262-P264 WeakPolarHBondContact O-CD 3.28Å
265	M	91.1	Very high	90	Very high	106 Å²	106	47.6 Å²	47.6	52%	0.522	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-2.6	-178.1	-63.1	-74.1	84.8	0	0	113.6	R239 L241 Y242 L263 T267	R239-M265 VanDerWaalsContact O-CG 3.23Å; R239-M265 WeakPolarHBondContact O-CG 3.49Å; L241-M265 CarbonylContact O-C 3.59Å; Y242-M265 WeakPolarHBondContact CA-O 3.47Å; L263-M265 VanDerWaalsContact C-N 3.35Å; L263-M265 PolarHBondContact O-N 3.39Å; M265-T267 PolarHBondContact O-N 3.34Å
266	L	93.6	Very high	90.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.212	C	C	.	.			trans	-68.2	121	-176.3	-170.1	79.4	0	0	0	110.8	L241 I244 V260 L263 H290 L293	L241-L266 HydrophobicContact CD2-CD1 4.41Å; L241-L266 HydrophobicContact CG-CD1 4.3Å; L241-L266 WeakPolarHBondContact O-CA 3.27Å; L241-L266 PolarHBondContact O-N 2.87Å; I244-L266 HydrophobicContact CB-CD1 4.36Å; I244-L266 HydrophobicContact CG2-CD1 3.93Å; I244-L266 HydrophobicContact CG2-CD2 4.45Å; V260-L266 HydrophobicContact CG1-CD2 3.21Å; L263-L266 HydrophobicContact CB-CB 3.89Å; L263-L266 PolarHBondContact O-N 3.07Å; L266-H290 PolarHBondContact O-NE2 2.91Å; L266-L293 HydrophobicContact CD2-CD2 4.33Å
267	T	93.3	Very high	90.7	Very high	47 Å²	47	42.3 Å²	42.3	29%	0.288	22%	0.218	S	C	.	.			trans	-120.7	-28.5	-178.6	45.7	0	0	0	0	112.6	Y242 M265 S294 V295	Y242-T267 PolarHBondContact O-N 3.22Å; Y242-T267 PolarHBondContact O-OG1 2.82Å; M265-T267 PolarHBondContact O-N 3.34Å; T267-S294 PolarHBondContact O-N 3.2Å; T267-V295 PolarHBondContact O-N 3.24Å
268	N	95.5	Very high	90.9	Very high	46 Å²	46	50.6 Å²	50.6	25%	0.246	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.9	179.7	-72.1	11.1	0	0	0	110.5	Y242 L243 I244 V295	Y242-N268 PolarHBondContact O-N 2.84Å; L243-N268 WeakPolarHBondContact CA-O 3.35Å; L243-N268 HydrophobicContact CB-CB 4.08Å; L243-N268 HydrophobicContact CD1-CB 4.13Å; L243-N268 HydrophobicContact CG-CB 3.81Å; I244-N268 PolarHBondContact N-O 2.99Å; I244-N268 VanDerWaalsContact N-O 3.08Å; N268-V295 WeakPolarHBondContact CA-O 3.34Å; N268-V295 HydrophobicContact CB-CB 4.37Å; N268-V295 WeakPolarHBondContact OD1-CB 3.46Å; N268-V295 WeakPolarHBondContact OD1-CG2 3.23Å
269	L	95.4	Very high	91.1	Very high	7 Å²	7	50 Å²	50	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.5	176.7	174.1	59.2	0	0	0	108.9	I244 V260 L271 V286 L293 V295 L296 D297	I244-L269 HydrophobicContact CG2-CD1 3.48Å; I244-L269 VanDerWaalsContact CG2-CD1 3.48Å; V260-L269 HydrophobicContact CG1-CD1 4.21Å; V260-L269 HydrophobicContact CG1-CD2 4.11Å; L269-L271 HydrophobicContact CD1-CD1 4.06Å; L269-L271 HydrophobicContact CD1-CG 3.94Å; L269-L271 HydrophobicContact CD2-CD1 3.87Å; L269-L271 HydrophobicContact CG-CD1 3.93Å; L269-L271 HydrophobicContact CG-CG 4.12Å; L269-V286 HydrophobicContact CD2-CG1 3.92Å; L269-L293 HydrophobicContact CB-CD2 3.78Å; L269-L293 HydrophobicContact CD2-CD1 4.23Å; L269-V295 PolarHBondContact N-O 2.87Å; L269-L296 HydrophobicContact CB-CD1 4.23Å; L269-L296 HydrophobicContact CD2-CD1 4.08Å; L269-L296 HydrophobicContact CG-CD1 4.03Å; L269-L296 CarbonylContact O-C 3.55Å; L269-L296 VanDerWaalsContact O-CA 3.28Å; L269-L296 WeakPolarHBondContact O-CA 3.36Å; L269-D297 PolarHBondContact O-N 2.88Å
270	N	95.9	Very high	91.2	Very high	5 Å²	5	55 Å²	55	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.2	172.8	-175.3	16	0	0	0	109.7	I244 D245 L246 L272 N298	I244-N270 PolarHBondContact O-N 3.39Å; I244-N270 VanDerWaalsContact O-N 3.1Å; D245-N270 HydrophobicContact CB-CB 4.37Å; D245-N270 PolarHBondContact OD1-ND2 3.31Å; D245-N270 PolarHBondContact OD2-ND2 3.27Å; L246-N270 CarbonylContact C-O 3.56Å; L246-N270 WeakPolarHBondContact CA-O 3.47Å; L246-N270 WeakPolarHBondContact CB-O 3.44Å; L246-N270 PolarHBondContact N-O 2.75Å; N270-L272 WeakPolarHBondContact OD1-CB 3.43Å; N270-L272 WeakPolarHBondContact OD1-CD1 3.34Å; N270-L272 VanDerWaalsContact OD1-CG 3.22Å; N270-L272 WeakPolarHBondContact OD1-CG 3.23Å; N270-L272 PolarHBondContact OD1-N 3.32Å; N270-N298 PolarHBondContact ND2-ND2 3.18Å; N270-N298 VanDerWaalsContact ND2-ND2 3.15Å
271	L	95.1	Very high	91.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.			trans	-124.3	17.5	178.9	-74	164.1	0	0	0	111.3	L246 I251 L257 L269 N274 Y282 D297	L246-L271 HydrophobicContact CB-CD2 3.97Å; L246-L271 HydrophobicContact CD1-CD2 3.9Å; I251-L271 HydrophobicContact CD1-CD2 3.77Å; L257-L271 HydrophobicContact CD1-CD1 4.15Å; L257-L271 HydrophobicContact CD2-CD1 3.83Å; L257-L271 HydrophobicContact CD2-CD2 4.29Å; L269-L271 HydrophobicContact CD1-CD1 4.06Å; L269-L271 HydrophobicContact CD1-CG 3.94Å; L269-L271 HydrophobicContact CD2-CD1 3.87Å; L269-L271 HydrophobicContact CG-CD1 3.93Å; L269-L271 HydrophobicContact CG-CG 4.12Å; L271-N274 WeakPolarHBondContact O-CB 3.26Å; L271-N274 PolarHBondContact O-N 3.26Å; L271-N274 PolarHBondContact O-ND2 2.92Å; L271-N274 VanDerWaalsContact O-ND2 3.08Å; L271-Y282 WeakPolarHBondContact CB-OH 3.23Å; L271-Y282 HydrophobicContact CD1-CE2 4.39Å; L271-Y282 WeakPolarHBondContact CD1-OH 3.49Å; L271-D297 WeakPolarHBondContact CA-OD1 3.36Å; L271-D297 PolarHBondContact N-OD1 3.3Å
272	L	95.2	Very high	92	Very high	46 Å²	46	55.7 Å²	55.7	24%	0.241	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	142.8	178	-76.6	168.4	0	0	0	112.5	E247 K248 N270 N274 D297 N298	E247-L272 CarbonylContact C-O 3.44Å; E247-L272 VanDerWaalsContact CA-O 3.24Å; E247-L272 WeakPolarHBondContact CA-O 3.38Å; E247-L272 HydrophobicContact CB-CB 4.48Å; E247-L272 HydrophobicContact CG-CB 4.48Å; K248-L272 PolarHBondContact N-O 2.92Å; N270-L272 WeakPolarHBondContact OD1-CB 3.43Å; N270-L272 WeakPolarHBondContact OD1-CD1 3.34Å; N270-L272 VanDerWaalsContact OD1-CG 3.22Å; N270-L272 WeakPolarHBondContact OD1-CG 3.23Å; N270-L272 PolarHBondContact OD1-N 3.32Å; L272-N274 PolarHBondContact O-N 3.23Å; L272-N274 PolarHBondContact O-ND2 2.99Å; L272-D297 HydrophobicContact CD2-CB 3.97Å; L272-D297 HydrophobicContact CG-CB 3.93Å; L272-N298 HydrophobicContact CD1-CB 4.46Å; L272-N298 WeakPolarHBondContact CD1-ND2 3.29Å
273	D	94.6	Very high	92.6	Very high	94 Å²	94	51.8 Å²	51.8	50%	0.503	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	35.4	178.3	-51.8	-39.4	0	0	0	113.6	K248	K248-D273 HydrophobicContact CB-CB 4.47Å; K248-D273 WeakPolarHBondContact CE-OD2 3.39Å; K248-D273 HydrophobicContact CG-CB 3.55Å; K248-D273 IonicContact NZ-OD2 2.81Å; K248-D273 PolarHBondContact NZ-OD2 3.43Å
274	N	95.1	Very high	92.7	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.037	27%	0.273	C	S	.	.			trans	-106.8	145.6	165.2	-77.1	-104.2	0	0	0	110	L246 N249 I251 L271 L272 V276 Q277	L246-N274 PolarHBondContact O-ND2 3.15Å; N249-N274 WeakPolarHBondContact CA-OD1 3.3Å; N249-N274 WeakPolarHBondContact CB-OD1 3.14Å; N249-N274 PolarHBondContact N-ND2 3.47Å; N249-N274 PolarHBondContact O-OD1 3.38Å; I251-N274 HydrophobicContact CB-CB 4.49Å; I251-N274 WeakPolarHBondContact CB-OD1 3.1Å; I251-N274 PolarHBondContact N-OD1 2.71Å; L271-N274 WeakPolarHBondContact O-CB 3.26Å; L271-N274 PolarHBondContact O-N 3.26Å; L271-N274 PolarHBondContact O-ND2 2.92Å; L271-N274 VanDerWaalsContact O-ND2 3.08Å; L272-N274 PolarHBondContact O-N 3.23Å; L272-N274 PolarHBondContact O-ND2 2.99Å; N274-V276 HydrophobicContact CB-CG1 3.92Å; N274-V276 PolarHBondContact O-N 2.63Å; N274-V276 VanDerWaalsContact O-N 3.07Å; N274-Q277 WeakPolarHBondContact O-CB 3.22Å; N274-Q277 PolarHBondContact O-N 2.6Å
275	P	94.3	Very high	92.9	Very high	55 Å²	55	50.9 Å²	50.9	36%	0.357	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-54.9	-28.2	177.3	-25.6	33.2	0	0	0	114.5	I251 M252 Q277 E278	I251-P275 WeakPolarHBondContact O-CD 3.46Å; M252-P275 HydrophobicContact CG-CB 4.13Å; M252-P275 HydrophobicContact CG-CG 4.29Å; P275-Q277 PolarHBondContact O-N 3.22Å; P275-E278 WeakPolarHBondContact O-CB 3.46Å; P275-E278 PolarHBondContact O-N 2.88Å
276	V	93.5	Very high	92.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-56.8	-21.7	176.1	73.3	0	0	0	0	113.8	I251 M252 I254 N274 E278 H279 Y282	I251-V276 HydrophobicContact CG2-CB 4.41Å; I251-V276 HydrophobicContact CG2-CG1 4.38Å; I251-V276 WeakPolarHBondContact O-CB 3.42Å; I251-V276 PolarHBondContact O-N 2.96Å; M252-V276 WeakPolarHBondContact O-CA 3.47Å; I254-V276 HydrophobicContact CG1-CG2 3.67Å; N274-V276 HydrophobicContact CB-CG1 3.92Å; N274-V276 PolarHBondContact O-N 2.63Å; N274-V276 VanDerWaalsContact O-N 3.07Å; V276-E278 PolarHBondContact O-N 2.7Å; V276-H279 PolarHBondContact O-CD2 3.02Å; V276-H279 PolarHBondContact O-N 2.79Å; V276-Y282 HydrophobicContact CG1-CD2 4.48Å; V276-Y282 HydrophobicContact CG1-CE2 3.97Å; V276-Y282 HydrophobicContact CG2-CD2 4.18Å; V276-Y282 HydrophobicContact CG2-CE2 4.28Å; V276-Y282 WeakPolarHBondContact O-CD2 3.43Å
277	Q	92.6	Very high	92.8	Very high	59 Å²	59	46 Å²	46	28%	0.276	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-71.3	-14.5	176	-61.6	-162.1	-56.6	0	0	113.9	N274 P275 H279 Y282 D297	N274-Q277 WeakPolarHBondContact O-CB 3.22Å; N274-Q277 PolarHBondContact O-N 2.6Å; P275-Q277 PolarHBondContact O-N 3.22Å; Q277-H279 VanDerWaalsContact C-N 3.3Å; Q277-Y282 HydrophobicContact CB-CD1 4.34Å; Q277-Y282 HydrophobicContact CB-CE1 4.43Å; Q277-Y282 HydrophobicContact CG-CD1 4.3Å; Q277-Y282 HydrophobicContact CG-CE1 3.89Å; Q277-D297 VanDerWaalsContact NE2-CG 3.27Å; Q277-D297 PolarHBondContact NE2-OD2 2.75Å
278	E	90.8	Very high	92.6	Very high	178 Å²	178	46.4 Å²	46.4	83%	0.832	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-77.2	-14.6	176.1	-60.2	-170.9	170.3	0	0	113	P275 V276	P275-E278 WeakPolarHBondContact O-CB 3.46Å; P275-E278 PolarHBondContact O-N 2.88Å; V276-E278 PolarHBondContact O-N 2.7Å
279	H	89.9	Confident	92.3	Very high	70 Å²	70	47.5 Å²	47.5	32%	0.324	23%	0.234	S	C	.	.	S	Bend	trans	-64.6	138	179	-79.2	-77.9	0	0	0	112.5	M252 E253 I254 V276 Q277 N281 Y282	M252-H279 PolarHBondContact O-CD2 3.5Å; M252-H279 PolarHBondContact O-NE2 3.27Å; E253-H279 IonicContact OE2-CE1 2.77Å; E253-H279 IonicContact OE2-NE2 3.24Å; E253-H279 PolarHBondContact OE2-NE2 3.3Å; I254-H279 HydrophobicContact CD1-CB 3.81Å; I254-H279 HydrophobicContact CG1-CB 4.46Å; V276-H279 PolarHBondContact O-CD2 3.02Å; V276-H279 PolarHBondContact O-N 2.79Å; Q277-H279 VanDerWaalsContact C-N 3.3Å; H279-N281 PolarHBondContact O-N 3.31Å; H279-Y282 WeakPolarHBondContact O-CB 3.24Å; H279-Y282 PolarHBondContact O-N 3.33Å
280	H	88.3	Confident	92	Very high	165 Å²	165	48.2 Å²	48.2	76%	0.764	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	127.2	-179.8	-172.8	54.3	0	0	0	111.5	Y282	H280-Y282 PolarHBondContact O-N 2.84Å
281	N	89.3	Confident	91.6	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	19.1	-173.4	-53.8	-56	0	0	0	115.8	H279 R283 L284 T285 M312	H279-N281 PolarHBondContact O-N 3.31Å; N281-R283 PolarHBondContact O-N 3.2Å; N281-L284 HydrophobicContact CB-CB 4.44Å; N281-L284 WeakPolarHBondContact O-CA 3.5Å; N281-L284 PolarHBondContact O-N 3.05Å; N281-T285 PolarHBondContact O-N 3.39Å; N281-T285 PolarHBondContact O-OG1 3.32Å; N281-M312 HydrophobicContact CB-CE 4.35Å; N281-M312 HydrophobicContact CB-SD 4.37Å; N281-M312 WeakPolarHBondContact ND2-CE 3.4Å
282	Y	91.8	Very high	91.2	Very high	13 Å²	13	52.3 Å²	52.3	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-31.9	-53.1	176.9	154.1	-97.4	0	0	0	114	L271 V276 Q277 H279 H280 L284 T285 V286 D297	L271-Y282 WeakPolarHBondContact CB-OH 3.23Å; L271-Y282 HydrophobicContact CD1-CE2 4.39Å; L271-Y282 WeakPolarHBondContact CD1-OH 3.49Å; V276-Y282 HydrophobicContact CG1-CD2 4.48Å; V276-Y282 HydrophobicContact CG1-CE2 3.97Å; V276-Y282 HydrophobicContact CG2-CD2 4.18Å; V276-Y282 HydrophobicContact CG2-CE2 4.28Å; V276-Y282 WeakPolarHBondContact O-CD2 3.43Å; Q277-Y282 HydrophobicContact CB-CD1 4.34Å; Q277-Y282 HydrophobicContact CB-CE1 4.43Å; Q277-Y282 HydrophobicContact CG-CD1 4.3Å; Q277-Y282 HydrophobicContact CG-CE1 3.89Å; H279-Y282 WeakPolarHBondContact O-CB 3.24Å; H279-Y282 PolarHBondContact O-N 3.33Å; H280-Y282 PolarHBondContact O-N 2.84Å; Y282-L284 PolarHBondContact O-N 3.38Å; Y282-T285 WeakPolarHBondContact O-CB 3.4Å; Y282-T285 PolarHBondContact O-N 2.98Å; Y282-T285 VanDerWaalsContact O-N 3.13Å; Y282-V286 HydrophobicContact CD2-CG2 3.91Å; Y282-V286 HydrophobicContact CE2-CG2 3.49Å; Y282-V286 VanDerWaalsContact CE2-CG2 3.49Å; Y282-V286 WeakPolarHBondContact O-CG2 3.34Å; Y282-V286 PolarHBondContact O-N 3.12Å; Y282-D297 VanDerWaalsContact CE1-OD2 3.29Å; Y282-D297 WeakPolarHBondContact CE1-OD2 3.44Å; Y282-D297 PolarHBondContact OH-OD2 2.95Å
283	R	92.6	Very high	91.1	Very high	49 Å²	49	50.1 Å²	50.1	19%	0.185	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-43.2	-178.6	-179.2	171.5	172.8	86.4	2.1	112.9	N281 I287 L296 K300 E305	N281-R283 PolarHBondContact O-N 3.2Å; R283-I287 HydrophobicContact CG-CD1 3.8Å; R283-I287 WeakPolarHBondContact O-CB 3.48Å; R283-I287 VanDerWaalsContact O-CD1 3.31Å; R283-I287 WeakPolarHBondContact O-CD1 3.31Å; R283-I287 WeakPolarHBondContact O-CG1 3.41Å; R283-I287 PolarHBondContact O-N 3.27Å; R283-I287 VanDerWaalsContact O-N 3.1Å; R283-L296 HydrophobicContact CG-CD2 4.04Å; R283-L296 PolarHBondContact NH1-O 3Å; R283-K300 PolarHBondContact NH2-O 2.93Å; R283-E305 IonicContact CZ-OE1 3.44Å; R283-E305 IonicContact NE-OE1 3.06Å; R283-E305 PolarHBondContact NE-OE1 2.87Å; R283-E305 IonicContact NH2-OE1 2.9Å; R283-E305 PolarHBondContact NH2-OE1 3.3Å; R283-E305 IonicContact NH2-OE2 2.63Å; R283-E305 PolarHBondContact NH2-OE2 3.18Å; R283-E305 VanDerWaalsContact NH2-OE2 3.14Å
284	L	91.1	Very high	91	Very high	40 Å²	40	48.2 Å²	48.2	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-36.7	175	-66.9	178	0	0	0	111.1	N281 Y282 I287 F288 S309 M312 F313	N281-L284 HydrophobicContact CB-CB 4.44Å; N281-L284 WeakPolarHBondContact O-CA 3.5Å; N281-L284 PolarHBondContact O-N 3.05Å; Y282-L284 PolarHBondContact O-N 3.38Å; L284-I287 PolarHBondContact O-N 2.76Å; L284-F288 VanDerWaalsContact O-CB 3.29Å; L284-F288 WeakPolarHBondContact O-CB 3.47Å; L284-F288 PolarHBondContact O-N 3.48Å; L284-S309 WeakPolarHBondContact O-CB 3.49Å; L284-M312 HydrophobicContact CD1-SD 4.11Å; L284-F313 HydrophobicContact CB-CE2 4.2Å
285	T	91.4	Very high	91	Very high	24 Å²	24	49.6 Å²	49.6	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-46.3	176.5	-45.8	0	0	0	0	111.4	I254 N281 Y282 I287 F288 L289 F313	I254-T285 HydrophobicContact CD1-CG2 4.02Å; I254-T285 HydrophobicContact CG2-CG2 4.03Å; N281-T285 PolarHBondContact O-N 3.39Å; N281-T285 PolarHBondContact O-OG1 3.32Å; Y282-T285 WeakPolarHBondContact O-CB 3.4Å; Y282-T285 PolarHBondContact O-N 2.98Å; Y282-T285 VanDerWaalsContact O-N 3.13Å; T285-I287 PolarHBondContact O-N 3.11Å; T285-F288 WeakPolarHBondContact O-CB 3.18Å; T285-F288 PolarHBondContact O-N 3.36Å; T285-L289 HydrophobicContact CG2-CD1 4.03Å; T285-L289 WeakPolarHBondContact O-CB 3.45Å; T285-L289 WeakPolarHBondContact O-CD1 3.5Å; T285-L289 WeakPolarHBondContact O-CG 3.41Å; T285-L289 PolarHBondContact O-N 2.92Å; T285-F313 HydrophobicContact CG2-CZ 4.4Å; T285-F313 WeakPolarHBondContact OG1-CZ 3.38Å
286	V	91.1	Very high	91	Very high	5 Å²	5	47 Å²	47	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-40.6	176.7	177.5	0	0	0	0	111.8	L257 L269 Y282 L289 H290 L293 L296	L257-V286 HydrophobicContact CD1-CG2 3.59Å; L269-V286 HydrophobicContact CD2-CG1 3.92Å; Y282-V286 HydrophobicContact CD2-CG2 3.91Å; Y282-V286 HydrophobicContact CE2-CG2 3.49Å; Y282-V286 VanDerWaalsContact CE2-CG2 3.49Å; Y282-V286 WeakPolarHBondContact O-CG2 3.34Å; Y282-V286 PolarHBondContact O-N 3.12Å; V286-L289 PolarHBondContact O-N 2.83Å; V286-H290 PolarHBondContact O-N 3.07Å; V286-L293 HydrophobicContact CG1-CD1 3.79Å; V286-L296 HydrophobicContact CB-CD2 3.89Å; V286-L296 HydrophobicContact CG1-CD1 3.94Å; V286-L296 HydrophobicContact CG1-CD2 3.75Å
287	I	91.4	Very high	91.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-33.9	176.3	-66.2	164.8	0	0	0	111.8	R283 L284 T285 H290 Q291 L296 V301 E305 K306	R283-I287 HydrophobicContact CG-CD1 3.8Å; R283-I287 WeakPolarHBondContact O-CB 3.48Å; R283-I287 VanDerWaalsContact O-CD1 3.31Å; R283-I287 WeakPolarHBondContact O-CD1 3.31Å; R283-I287 WeakPolarHBondContact O-CG1 3.41Å; R283-I287 PolarHBondContact O-N 3.27Å; R283-I287 VanDerWaalsContact O-N 3.1Å; L284-I287 PolarHBondContact O-N 2.76Å; T285-I287 PolarHBondContact O-N 3.11Å; I287-H290 CarbonylContact O-C 3.05Å; I287-Q291 PolarHBondContact O-NE2 3.24Å; I287-Q291 VanDerWaalsContact O-NE2 3.17Å; I287-L296 HydrophobicContact CD1-CD2 4.25Å; I287-L296 HydrophobicContact CG1-CD2 3.85Å; I287-V301 HydrophobicContact CD1-CG1 3.88Å; I287-V301 HydrophobicContact CD1-CG2 4.19Å; I287-V301 HydrophobicContact CG1-CG1 4.06Å; I287-V301 HydrophobicContact CG1-CG2 4.22Å; I287-V301 HydrophobicContact CG2-CG1 4.02Å; I287-E305 HydrophobicContact CD1-CB 4.04Å; I287-K306 HydrophobicContact CG2-CB 4.37Å; I287-K306 HydrophobicContact CG2-CG 3.7Å
288	F	90.6	Very high	91	Very high	55 Å²	55	49.7 Å²	49.7	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-52.2	173.6	175.3	-112	0	0	0	110.4	L284 T285 Q291 F313 E314	L284-F288 VanDerWaalsContact O-CB 3.29Å; L284-F288 WeakPolarHBondContact O-CB 3.47Å; L284-F288 PolarHBondContact O-N 3.48Å; T285-F288 WeakPolarHBondContact O-CB 3.18Å; T285-F288 PolarHBondContact O-N 3.36Å; F288-Q291 PolarHBondContact O-NE2 3.22Å; F288-F313 HydrophobicContact CB-CD2 3.55Å; F288-F313 HydrophobicContact CB-CE2 4.01Å; F288-F313 HydrophobicContact CB-CG 4.43Å; F288-F313 HydrophobicContact CD1-CB 3.79Å; F288-F313 AromaticContact CD1-CD2 3.94Å; F288-F313 HydrophobicContact CD1-CD2 3.94Å; F288-F313 AromaticContact CD1-CG 3.98Å; F288-F313 HydrophobicContact CD1-CG 3.98Å; F288-F313 HydrophobicContact CD2-CB 3.81Å; F288-F313 HydrophobicContact CD2-CD2 4.03Å; F288-F313 HydrophobicContact CD2-CG 4.36Å; F288-F313 HydrophobicContact CE1-CB 3.71Å; F288-F313 HydrophobicContact CE1-CG 4.35Å; F288-F313 HydrophobicContact CE2-CB 3.73Å; F288-F313 HydrophobicContact CG-CB 3.84Å; F288-F313 AromaticContact CG-CD2 3.56Å; F288-F313 HydrophobicContact CG-CD2 3.56Å; F288-F313 HydrophobicContact CG-CE2 4.45Å; F288-F313 AromaticContact CG-CG 3.99Å; F288-F313 HydrophobicContact CG-CG 3.99Å; F288-F313 HydrophobicContact CZ-CB 3.69Å; F288-E314 HydrophobicContact CE2-CB 3.92Å; F288-E314 HydrophobicContact CZ-CB 4.08Å
289	L	89.3	Confident	91.2	Very high	69 Å²	69	47.7 Å²	47.7	36%	0.361	25%	0.245	S	C	.	.	H	α-helix	trans	-64.6	-47.4	-177.2	-71.3	168.5	0	0	0	112.7	I254 I261 T285 V286	I254-L289 HydrophobicContact CG2-CD1 3.79Å; I261-L289 HydrophobicContact CD1-CB 3.5Å; I261-L289 HydrophobicContact CD1-CD1 3.87Å; I261-L289 HydrophobicContact CD1-CD2 4.21Å; I261-L289 HydrophobicContact CD1-CG 4.06Å; I261-L289 HydrophobicContact CG1-CB 3.96Å; I261-L289 WeakPolarHBondContact CG2-O 3.29Å; T285-L289 HydrophobicContact CG2-CD1 4.03Å; T285-L289 WeakPolarHBondContact O-CB 3.45Å; T285-L289 WeakPolarHBondContact O-CD1 3.5Å; T285-L289 WeakPolarHBondContact O-CG 3.41Å; T285-L289 PolarHBondContact O-N 2.92Å; V286-L289 PolarHBondContact O-N 2.83Å
290	H	89.1	Confident	91.4	Very high	22 Å²	22	52.5 Å²	52.5	10%	0.102	27%	0.265	C	S	.	.			trans	-116.2	87.1	174.4	-170.2	22.4	0	0	0	113.1	I261 L266 V286 I287 G292 L293	I261-H290 HydrophobicContact CG1-CB 4.22Å; L266-H290 PolarHBondContact O-NE2 2.91Å; V286-H290 PolarHBondContact O-N 3.07Å; I287-H290 CarbonylContact O-C 3.05Å; H290-G292 PolarHBondContact ND1-N 3.15Å; H290-G292 PolarHBondContact O-N 3.03Å; H290-G292 VanDerWaalsContact O-N 3.08Å; H290-L293 HydrophobicContact CB-CD1 4.25Å; H290-L293 HydrophobicContact CB-CG 4.12Å; H290-L293 WeakPolarHBondContact O-CG 3.48Å; H290-L293 PolarHBondContact O-N 3.2Å
291	Q	87.5	Confident	91.6	Very high	55 Å²	55	45.1 Å²	45.1	26%	0.257	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.2	176.8	-64.3	-71	-32.6	0	0	114	I287 F288 K306	I287-Q291 PolarHBondContact O-NE2 3.24Å; I287-Q291 VanDerWaalsContact O-NE2 3.17Å; F288-Q291 PolarHBondContact O-NE2 3.22Å; Q291-K306 WeakPolarHBondContact O-CE 3.43Å; Q291-K306 PolarHBondContact O-NZ 2.87Å
292	G	86.9	Confident	91.8	Very high	36 Å²	36	45.3 Å²	45.3	37%	0.371	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-22	177.6	0	0	0	0	0	114.5	H290 S294	H290-G292 PolarHBondContact ND1-N 3.15Å; H290-G292 PolarHBondContact O-N 3.03Å; H290-G292 VanDerWaalsContact O-N 3.08Å; G292-S294 PolarHBondContact O-N 3.12Å
293	L	91.7	Very high	91.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.			trans	-56.5	135.8	-173.5	-69.4	175.2	0	0	0	113.4	L266 L269 V286 H290 L296 V301 K306	L266-L293 HydrophobicContact CD2-CD2 4.33Å; L269-L293 HydrophobicContact CB-CD2 3.78Å; L269-L293 HydrophobicContact CD2-CD1 4.23Å; V286-L293 HydrophobicContact CG1-CD1 3.79Å; H290-L293 HydrophobicContact CB-CD1 4.25Å; H290-L293 HydrophobicContact CB-CG 4.12Å; H290-L293 WeakPolarHBondContact O-CG 3.48Å; H290-L293 PolarHBondContact O-N 3.2Å; L293-L296 HydrophobicContact CD1-CB 4.5Å; L293-L296 HydrophobicContact CD1-CD1 4.5Å; L293-L296 HydrophobicContact CD1-CD2 4.48Å; L293-V301 HydrophobicContact CB-CG2 4.25Å; L293-K306 WeakPolarHBondContact O-CE 3.36Å; L293-K306 PolarHBondContact O-NZ 3.22Å
294	S	92.8	Very high	91.6	Very high	55 Å²	55	55 Å²	55	39%	0.385	29%	0.291	S	S	.	.	S	Bend	trans	-110.2	-30.7	174.3	-65.8	0	0	0	0	111.7	T267 G292 K300 V301	T267-S294 PolarHBondContact O-N 3.2Å; G292-S294 PolarHBondContact O-N 3.12Å; S294-K300 WeakPolarHBondContact O-CA 3.15Å; S294-V301 PolarHBondContact O-N 3.4Å
295	V	95.5	Very high	91.6	Very high	35 Å²	35	55.3 Å²	55.3	21%	0.212	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.9	171.6	-175.8	0	0	0	0	109.1	T267 N268 L269	T267-V295 PolarHBondContact O-N 3.24Å; N268-V295 WeakPolarHBondContact CA-O 3.34Å; N268-V295 HydrophobicContact CB-CB 4.37Å; N268-V295 WeakPolarHBondContact OD1-CB 3.46Å; N268-V295 WeakPolarHBondContact OD1-CG2 3.23Å; L269-V295 PolarHBondContact N-O 2.87Å
296	L	94.8	Very high	91.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.5	171.9	175.4	59.5	0	0	0	108.6	L269 R283 V286 I287 L293 N298 K299 V301	L269-L296 HydrophobicContact CB-CD1 4.23Å; L269-L296 HydrophobicContact CD2-CD1 4.08Å; L269-L296 HydrophobicContact CG-CD1 4.03Å; L269-L296 CarbonylContact O-C 3.55Å; L269-L296 VanDerWaalsContact O-CA 3.28Å; L269-L296 WeakPolarHBondContact O-CA 3.36Å; R283-L296 HydrophobicContact CG-CD2 4.04Å; R283-L296 PolarHBondContact NH1-O 3Å; V286-L296 HydrophobicContact CB-CD2 3.89Å; V286-L296 HydrophobicContact CG1-CD1 3.94Å; V286-L296 HydrophobicContact CG1-CD2 3.75Å; I287-L296 HydrophobicContact CD1-CD2 4.25Å; I287-L296 HydrophobicContact CG1-CD2 3.85Å; L293-L296 HydrophobicContact CD1-CB 4.5Å; L293-L296 HydrophobicContact CD1-CD1 4.5Å; L293-L296 HydrophobicContact CD1-CD2 4.48Å; L296-N298 PolarHBondContact O-N 3.32Å; L296-K299 PolarHBondContact N-O 3.45Å; L296-K299 PolarHBondContact O-N 3.01Å; L296-V301 HydrophobicContact CB-CG2 3.83Å
297	D	94.1	Very high	91.4	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.059	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	47.7	179.7	-58.5	-26.7	0	0	0	113.2	L269 L271 L272 Q277 Y282 K299	L269-D297 PolarHBondContact O-N 2.88Å; L271-D297 WeakPolarHBondContact CA-OD1 3.36Å; L271-D297 PolarHBondContact N-OD1 3.3Å; L272-D297 HydrophobicContact CD2-CB 3.97Å; L272-D297 HydrophobicContact CG-CB 3.93Å; Q277-D297 VanDerWaalsContact NE2-CG 3.27Å; Q277-D297 PolarHBondContact NE2-OD2 2.75Å; Y282-D297 VanDerWaalsContact CE1-OD2 3.29Å; Y282-D297 WeakPolarHBondContact CE1-OD2 3.44Å; Y282-D297 PolarHBondContact OH-OD2 2.95Å; D297-K299 PolarHBondContact O-N 3.4Å
298	N	92.2	Very high	91.2	Very high	106 Å²	106	62.4 Å²	62.4	57%	0.567	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	12.1	-174.7	-63.9	-46.6	0	0	0	115.2	N270 L272 L296	N270-N298 PolarHBondContact ND2-ND2 3.18Å; N270-N298 VanDerWaalsContact ND2-ND2 3.15Å; L272-N298 HydrophobicContact CD1-CB 4.46Å; L272-N298 WeakPolarHBondContact CD1-ND2 3.29Å; L296-N298 PolarHBondContact O-N 3.32Å
299	K	93.6	Very high	91.2	Very high	135 Å²	135	59.8 Å²	59.8	59%	0.587	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.4	173.9	-65.5	168.8	-174.4	170.5	0	109.7	L296 D297 V301	L296-K299 PolarHBondContact N-O 3.45Å; L296-K299 PolarHBondContact O-N 3.01Å; D297-K299 PolarHBondContact O-N 3.4Å; K299-V301 PolarHBondContact O-N 3.18Å
300	K	93.6	Very high	91.1	Very high	171 Å²	171	61.3 Å²	61.3	74%	0.743	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	135.3	173.9	-170.9	178.9	-177.8	-179.8	0	110	R283 S294	R283-K300 PolarHBondContact NH2-O 2.93Å; S294-K300 WeakPolarHBondContact O-CA 3.15Å
301	V	93.8	Very high	91	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.067	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-82	126.7	173.7	179.1	0	0	0	0	108.9	I287 L293 S294 L296 K299 E305 K306	I287-V301 HydrophobicContact CD1-CG1 3.88Å; I287-V301 HydrophobicContact CD1-CG2 4.19Å; I287-V301 HydrophobicContact CG1-CG1 4.06Å; I287-V301 HydrophobicContact CG1-CG2 4.22Å; I287-V301 HydrophobicContact CG2-CG1 4.02Å; L293-V301 HydrophobicContact CB-CG2 4.25Å; S294-V301 PolarHBondContact O-N 3.4Å; L296-V301 HydrophobicContact CB-CG2 3.83Å; K299-V301 PolarHBondContact O-N 3.18Å; V301-E305 WeakPolarHBondContact CA-OE2 3.43Å; V301-K306 HydrophobicContact CG1-CD 4.32Å; V301-K306 HydrophobicContact CG1-CG 3.85Å
302	T	93.1	Very high	90.9	Very high	59 Å²	59	64.1 Å²	64.1	36%	0.362	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-87.5	162	178.4	66.3	0	0	0	0	111.8	E304 E305 K306	T302-E304 VanDerWaalsContact C-N 3.27Å; T302-E305 PolarHBondContact N-OE2 3.45Å; T302-E305 PolarHBondContact O-N 2.92Å; T302-E305 WeakPolarHBondContact OG1-CB 3.47Å; T302-E305 VanDerWaalsContact OG1-CG 3.23Å; T302-E305 WeakPolarHBondContact OG1-CG 3.28Å; T302-E305 PolarHBondContact OG1-N 3.26Å; T302-E305 PolarHBondContact OG1-OE2 3.31Å; T302-E305 VanDerWaalsContact OG1-OE2 3.12Å; T302-K306 PolarHBondContact O-N 2.82Å
303	V	90.7	Very high	90.9	Very high	116 Å²	116	66.2 Å²	66.2	70%	0.703	34%	0.34	S	S	*	.	H	α-helix	trans	-67.4	-33.7	172.4	-177.3	0	0	0	0	110.6	K306 V307	V303-K306 PolarHBondContact O-N 3.39Å; V303-V307 HydrophobicContact CG1-CG2 4.46Å; V303-V307 WeakPolarHBondContact O-CG2 3.48Å; V303-V307 PolarHBondContact O-N 2.86Å
304	E	89.9	Confident	90.6	Very high	151 Å²	151	73.1 Å²	73.1	71%	0.706	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-44	175.4	-68.8	157.1	-152.1	0	0	112	T302 V307 S308	T302-E304 VanDerWaalsContact C-N 3.27Å; E304-V307 PolarHBondContact O-N 2.88Å; E304-S308 VanDerWaalsContact O-CB 3.26Å; E304-S308 WeakPolarHBondContact O-CB 3.21Å; E304-S308 PolarHBondContact O-N 3.42Å; E304-S308 PolarHBondContact O-OG 2.68Å
305	E	90.3	Very high	90.3	Very high	45 Å²	45	73 Å²	73	21%	0.21	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-39.4	174.3	-73.7	168.7	128.4	0	0	112.2	R283 I287 V301 T302 S308 S309	R283-E305 IonicContact CZ-OE1 3.44Å; R283-E305 IonicContact NE-OE1 3.06Å; R283-E305 PolarHBondContact NE-OE1 2.87Å; R283-E305 IonicContact NH2-OE1 2.9Å; R283-E305 PolarHBondContact NH2-OE1 3.3Å; R283-E305 IonicContact NH2-OE2 2.63Å; R283-E305 PolarHBondContact NH2-OE2 3.18Å; R283-E305 VanDerWaalsContact NH2-OE2 3.14Å; I287-E305 HydrophobicContact CD1-CB 4.04Å; V301-E305 WeakPolarHBondContact CA-OE2 3.43Å; T302-E305 PolarHBondContact N-OE2 3.45Å; T302-E305 PolarHBondContact O-N 2.92Å; T302-E305 WeakPolarHBondContact OG1-CB 3.47Å; T302-E305 VanDerWaalsContact OG1-CG 3.23Å; T302-E305 WeakPolarHBondContact OG1-CG 3.28Å; T302-E305 PolarHBondContact OG1-N 3.26Å; T302-E305 PolarHBondContact OG1-OE2 3.31Å; T302-E305 VanDerWaalsContact OG1-OE2 3.12Å; E305-S308 PolarHBondContact O-N 2.87Å; E305-S309 WeakPolarHBondContact O-CB 3.45Å; E305-S309 PolarHBondContact O-N 3.46Å; E305-S309 PolarHBondContact O-OG 3.34Å
306	K	90.2	Very high	90	Very high	48 Å²	48	74.2 Å²	74.2	21%	0.209	38%	0.378	C	S	.	.	H	α-helix	trans	-66.6	-39	176.3	-68.7	-174.6	-177	-163.8	0	112.7	I287 Q291 L293 V301 T302 V303 S309 K310	I287-K306 HydrophobicContact CG2-CB 4.37Å; I287-K306 HydrophobicContact CG2-CG 3.7Å; Q291-K306 WeakPolarHBondContact O-CE 3.43Å; Q291-K306 PolarHBondContact O-NZ 2.87Å; L293-K306 WeakPolarHBondContact O-CE 3.36Å; L293-K306 PolarHBondContact O-NZ 3.22Å; V301-K306 HydrophobicContact CG1-CD 4.32Å; V301-K306 HydrophobicContact CG1-CG 3.85Å; T302-K306 PolarHBondContact O-N 2.82Å; V303-K306 PolarHBondContact O-N 3.39Å; K306-S309 PolarHBondContact O-OG 2.69Å; K306-S309 VanDerWaalsContact O-OG 3.07Å; K306-K310 WeakPolarHBondContact O-CG 3.48Å; K306-K310 PolarHBondContact O-N 2.89Å
307	V	87.8	Confident	89.6	Confident	72 Å²	72	76.7 Å²	76.7	44%	0.436	39%	0.391	S	S	.	.	H	α-helix	trans	-69.4	-43.8	174.3	168.7	0	0	0	0	110.4	V303 E304 S309 K310 N311	V303-V307 HydrophobicContact CG1-CG2 4.46Å; V303-V307 WeakPolarHBondContact O-CG2 3.48Å; V303-V307 PolarHBondContact O-N 2.86Å; E304-V307 PolarHBondContact O-N 2.88Å; V307-S309 PolarHBondContact O-N 3.04Å; V307-K310 PolarHBondContact O-N 3.02Å; V307-N311 WeakPolarHBondContact CG1-ND2 3.33Å; V307-N311 WeakPolarHBondContact O-CB 3.43Å; V307-N311 PolarHBondContact O-N 2.88Å; V307-N311 PolarHBondContact O-ND2 2.94Å; V307-N311 PolarHBondContact O-OD1 3.47Å
308	S	87.5	Confident	89.3	Confident	59 Å²	59	78.4 Å²	78.4	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-63.2	-39.7	178.5	-59	0	0	0	0	112.4	E304 E305 N311 M312	E304-S308 VanDerWaalsContact O-CB 3.26Å; E304-S308 WeakPolarHBondContact O-CB 3.21Å; E304-S308 PolarHBondContact O-N 3.42Å; E304-S308 PolarHBondContact O-OG 2.68Å; E305-S308 PolarHBondContact O-N 2.87Å; S308-N311 PolarHBondContact O-N 3.35Å; S308-M312 WeakPolarHBondContact O-CB 3.4Å; S308-M312 PolarHBondContact O-N 2.97Å
309	S	90.3	Very high	89.2	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-45.3	176.7	77	0	0	0	0	111.7	L284 E305 K306 V307 M312 F313	L284-S309 WeakPolarHBondContact O-CB 3.49Å; E305-S309 WeakPolarHBondContact O-CB 3.45Å; E305-S309 PolarHBondContact O-N 3.46Å; E305-S309 PolarHBondContact O-OG 3.34Å; K306-S309 PolarHBondContact O-OG 2.69Å; K306-S309 VanDerWaalsContact O-OG 3.07Å; V307-S309 PolarHBondContact O-N 3.04Å; S309-M312 PolarHBondContact O-N 2.9Å; S309-F313 VanDerWaalsContact O-CD2 3.23Å; S309-F313 WeakPolarHBondContact O-CD2 3.12Å; S309-F313 PolarHBondContact O-N 3.1Å; S309-F313 VanDerWaalsContact O-N 3.1Å
310	K	88.7	Confident	89	Confident	100 Å²	100	73 Å²	73	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-47.2	172.5	-68.1	-172.9	-177.1	-167.3	0	112.1	K306 V307 M312 F313 E314	K306-K310 WeakPolarHBondContact O-CG 3.48Å; K306-K310 PolarHBondContact O-N 2.89Å; V307-K310 PolarHBondContact O-N 3.02Å; K310-M312 PolarHBondContact O-N 2.76Å; K310-M312 VanDerWaalsContact O-N 3.09Å; K310-F313 PolarHBondContact O-N 2.78Å; K310-E314 CarbonylContact O-C 3.24Å; K310-E314 WeakPolarHBondContact O-CA 3.32Å; K310-E314 PolarHBondContact O-N 3.43Å; K310-E314 VanDerWaalsContact O-O 3.1Å
311	N	86.9	Confident	88.9	Confident	45 Å²	45	65 Å²	65	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-18.5	178.8	-66.3	-9.9	0	0	0	113.7	V307 S308 I319	V307-N311 WeakPolarHBondContact CG1-ND2 3.33Å; V307-N311 WeakPolarHBondContact O-CB 3.43Å; V307-N311 PolarHBondContact O-N 2.88Å; V307-N311 PolarHBondContact O-ND2 2.94Å; V307-N311 PolarHBondContact O-OD1 3.47Å; S308-N311 PolarHBondContact O-N 3.35Å; N311-I319 HydrophobicContact CB-CD1 4.48Å; N311-I319 VanDerWaalsContact OD1-CD1 3.25Å; N311-I319 WeakPolarHBondContact OD1-CD1 3.38Å
312	M	84.7	Confident	88.7	Confident	91 Å²	91	66.1 Å²	66.1	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-88	-48.9	176.2	-177.7	168.7	-175	0	0	112.8	N281 L284 S308 S309 K310	N281-M312 HydrophobicContact CB-CE 4.35Å; N281-M312 HydrophobicContact CB-SD 4.37Å; N281-M312 WeakPolarHBondContact ND2-CE 3.4Å; L284-M312 HydrophobicContact CD1-SD 4.11Å; S308-M312 WeakPolarHBondContact O-CB 3.4Å; S308-M312 PolarHBondContact O-N 2.97Å; S309-M312 PolarHBondContact O-N 2.9Å; K310-M312 PolarHBondContact O-N 2.76Å; K310-M312 VanDerWaalsContact O-N 3.09Å
313	F	86.1	Confident	88.6	Confident	81 Å²	81	68 Å²	68	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-100.4	-26.6	-171.3	-58.9	-73.7	0	0	0	114.5	L284 T285 F288 S309 K310	L284-F313 HydrophobicContact CB-CE2 4.2Å; T285-F313 HydrophobicContact CG2-CZ 4.4Å; T285-F313 WeakPolarHBondContact OG1-CZ 3.38Å; F288-F313 HydrophobicContact CB-CD2 3.55Å; F288-F313 HydrophobicContact CB-CE2 4.01Å; F288-F313 HydrophobicContact CB-CG 4.43Å; F288-F313 HydrophobicContact CD1-CB 3.79Å; F288-F313 AromaticContact CD1-CD2 3.94Å; F288-F313 HydrophobicContact CD1-CD2 3.94Å; F288-F313 AromaticContact CD1-CG 3.98Å; F288-F313 HydrophobicContact CD1-CG 3.98Å; F288-F313 HydrophobicContact CD2-CB 3.81Å; F288-F313 HydrophobicContact CD2-CD2 4.03Å; F288-F313 HydrophobicContact CD2-CG 4.36Å; F288-F313 HydrophobicContact CE1-CB 3.71Å; F288-F313 HydrophobicContact CE1-CG 4.35Å; F288-F313 HydrophobicContact CE2-CB 3.73Å; F288-F313 HydrophobicContact CG-CB 3.84Å; F288-F313 AromaticContact CG-CD2 3.56Å; F288-F313 HydrophobicContact CG-CD2 3.56Å; F288-F313 HydrophobicContact CG-CE2 4.45Å; F288-F313 AromaticContact CG-CG 3.99Å; F288-F313 HydrophobicContact CG-CG 3.99Å; F288-F313 HydrophobicContact CZ-CB 3.69Å; S309-F313 VanDerWaalsContact O-CD2 3.23Å; S309-F313 WeakPolarHBondContact O-CD2 3.12Å; S309-F313 PolarHBondContact O-N 3.1Å; S309-F313 VanDerWaalsContact O-N 3.1Å; K310-F313 PolarHBondContact O-N 2.78Å
314	E	86.7	Confident	88.6	Confident	144 Å²	144	63.1 Å²	63.1	67%	0.673	33%	0.329	S	S	*	.	S	Bend	trans	-144.5	68.9	177.5	-165.5	-177.2	-168.1	0	0	110.5	F288 K310	F288-E314 HydrophobicContact CE2-CB 3.92Å; F288-E314 HydrophobicContact CZ-CB 4.08Å; K310-E314 CarbonylContact O-C 3.24Å; K310-E314 WeakPolarHBondContact O-CA 3.32Å; K310-E314 PolarHBondContact O-N 3.43Å; K310-E314 VanDerWaalsContact O-O 3.1Å
315	P	86.7	Confident	88.7	Confident	54 Å²	54	57.5 Å²	57.5	35%	0.351	30%	0.303	S	S	.	.			trans	-65.9	132.5	-173.7	24.5	-33.7	0	0	0	112.4	V320	P315-V320 HydrophobicContact CB-CG2 3.96Å; P315-V320 HydrophobicContact CG-CG2 3.89Å
316	P	87.8	Confident	88.8	Confident	59 Å²	59	59.8 Å²	59.8	38%	0.383	32%	0.315	S	S	.	.			trans	-66.9	151	176.5	28.4	-35.1	0	0	0	111.6	D318 I319 V320	P316-D318 PolarHBondContact O-N 3.4Å; P316-I319 HydrophobicContact CG-CB 4.26Å; P316-I319 HydrophobicContact CG-CD1 3.77Å; P316-I319 HydrophobicContact CG-CG1 4.02Å; P316-I319 PolarHBondContact O-N 3.4Å; P316-V320 PolarHBondContact O-N 2.98Å
317	M	87.2	Confident	88.9	Confident	52 Å²	52	59.3 Å²	59.3	26%	0.256	31%	0.314	S	S	.	.	H	α-helix	trans	-54	-33.6	-173.3	-67.7	-174.6	-70.1	0	0	114.2	I319 V320 A321 L451 F455 L501	M317-I319 VanDerWaalsContact C-N 3.29Å; M317-I319 PolarHBondContact O-N 2.95Å; M317-V320 PolarHBondContact O-N 3.03Å; M317-A321 WeakPolarHBondContact O-CB 3.27Å; M317-A321 PolarHBondContact O-N 3.1Å; M317-L451 HydrophobicContact CE-CD2 3.9Å; M317-L451 HydrophobicContact SD-CD2 4.16Å; M317-L451 HydrophobicContact SD-CG 4.46Å; M317-F455 HydrophobicContact CB-CD1 3.83Å; M317-F455 HydrophobicContact CB-CE1 3.9Å; M317-F455 HydrophobicContact CB-CG 4.19Å; M317-F455 HydrophobicContact CB-CZ 4.36Å; M317-F455 HydrophobicContact CE-CE1 4.48Å; M317-F455 HydrophobicContact CE-CE2 4.09Å; M317-F455 HydrophobicContact CE-CZ 3.88Å; M317-L501 HydrophobicContact CE-CD1 4.1Å; M317-L501 HydrophobicContact CE-CD2 4.37Å; M317-L501 HydrophobicContact CE-CG 4.49Å
318	D	87.9	Confident	89	Confident	48 Å²	48	56 Å²	56	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-32.3	175.4	-62.1	-85.3	0	0	0	113.7	P316 A322 F455 R509	P316-D318 PolarHBondContact O-N 3.4Å; D318-A322 VanDerWaalsContact O-CB 3.28Å; D318-A322 WeakPolarHBondContact O-CB 3.34Å; D318-A322 PolarHBondContact O-N 2.97Å; D318-F455 HydrophobicContact CB-CD1 4.48Å; D318-F455 WeakPolarHBondContact OD1-CD1 3.34Å; D318-F455 WeakPolarHBondContact OD1-CE1 3.5Å; D318-R509 IonicContact OD1-CZ 3.77Å; D318-R509 IonicContact OD1-NH1 3.92Å; D318-R509 PolarHBondContact OD1-NH1 3.06Å; D318-R509 IonicContact OD1-NH2 2.75Å; D318-R509 IonicContact OD2-CZ 3.25Å; D318-R509 IonicContact OD2-NH1 3.27Å; D318-R509 PolarHBondContact OD2-NH1 3.15Å; D318-R509 IonicContact OD2-NH2 3.5Å; D318-R509 PolarHBondContact OD2-NH2 3.24Å
319	I	89.3	Confident	89.1	Confident	52 Å²	52	57 Å²	57	27%	0.267	29%	0.293	S	S	.	.	H	α-helix	trans	-82.8	-39	179.3	-68	-179.9	0	0	0	110.4	N311 P316 M317 A321 A322 K323	N311-I319 HydrophobicContact CB-CD1 4.48Å; N311-I319 VanDerWaalsContact OD1-CD1 3.25Å; N311-I319 WeakPolarHBondContact OD1-CD1 3.38Å; P316-I319 HydrophobicContact CG-CB 4.26Å; P316-I319 HydrophobicContact CG-CD1 3.77Å; P316-I319 HydrophobicContact CG-CG1 4.02Å; P316-I319 PolarHBondContact O-N 3.4Å; M317-I319 VanDerWaalsContact C-N 3.29Å; M317-I319 PolarHBondContact O-N 2.95Å; I319-A321 VanDerWaalsContact C-N 3.33Å; I319-A321 PolarHBondContact O-N 3.38Å; I319-A322 PolarHBondContact O-N 3.5Å; I319-K323 WeakPolarHBondContact O-CG 3.39Å; I319-K323 PolarHBondContact O-N 2.77Å
320	V	90.1	Very high	89.1	Confident	74 Å²	74	58.7 Å²	58.7	45%	0.448	30%	0.304	S	S	.	.	H	α-helix	trans	-58.1	-48.2	170.9	-179.1	0	0	0	0	110.1	P315 P316 M317 K323 D324	P315-V320 HydrophobicContact CB-CG2 3.96Å; P315-V320 HydrophobicContact CG-CG2 3.89Å; P316-V320 PolarHBondContact O-N 2.98Å; M317-V320 PolarHBondContact O-N 3.03Å; V320-K323 PolarHBondContact O-N 3.25Å; V320-D324 PolarHBondContact O-N 2.91Å
321	A	91.2	Very high	89.2	Confident	5 Å²	5	56.1 Å²	56.1	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-36.8	176.3	0	0	0	0	0	114.1	M317 I319 H325 F455	M317-A321 WeakPolarHBondContact O-CB 3.27Å; M317-A321 PolarHBondContact O-N 3.1Å; I319-A321 VanDerWaalsContact C-N 3.33Å; I319-A321 PolarHBondContact O-N 3.38Å; A321-H325 VanDerWaalsContact O-CB 3.29Å; A321-H325 WeakPolarHBondContact O-CB 3.21Å; A321-H325 PolarHBondContact O-N 3.46Å; A321-F455 HydrophobicContact CB-CB 3.62Å; A321-F455 WeakPolarHBondContact CB-O 3.33Å
322	A	90.4	Very high	89.3	Confident	34 Å²	34	55.7 Å²	55.7	28%	0.281	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-41.5	173.9	0	0	0	0	0	111.6	D318 I319 H325 I326	D318-A322 VanDerWaalsContact O-CB 3.28Å; D318-A322 WeakPolarHBondContact O-CB 3.34Å; D318-A322 PolarHBondContact O-N 2.97Å; I319-A322 PolarHBondContact O-N 3.5Å; A322-H325 PolarHBondContact O-N 3.06Å; A322-I326 WeakPolarHBondContact O-CB 3.39Å; A322-I326 WeakPolarHBondContact O-CD1 3.27Å; A322-I326 VanDerWaalsContact O-CG1 3.24Å; A322-I326 WeakPolarHBondContact O-CG1 3.36Å; A322-I326 PolarHBondContact O-N 3.04Å
323	K	90.4	Very high	89.4	Confident	99 Å²	99	57.8 Å²	57.8	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-47.3	174.6	-75.2	-173.8	175.1	-169.4	0	111.7	I319 V320 H325 I326 M327	I319-K323 WeakPolarHBondContact O-CG 3.39Å; I319-K323 PolarHBondContact O-N 2.77Å; V320-K323 PolarHBondContact O-N 3.25Å; K323-H325 PolarHBondContact O-N 3.1Å; K323-I326 PolarHBondContact O-N 3.09Å; K323-M327 VanDerWaalsContact O-CB 3.29Å; K323-M327 WeakPolarHBondContact O-CB 3.22Å; K323-M327 PolarHBondContact O-N 3.37Å
324	D	91.6	Very high	89.4	Confident	12 Å²	12	58 Å²	58	6%	0.064	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-45.5	174.9	173.9	67.5	0	0	0	111.9	V320 M327 N328 L419 T420 S456	V320-D324 PolarHBondContact O-N 2.91Å; D324-M327 PolarHBondContact O-N 3.48Å; D324-N328 WeakPolarHBondContact O-CB 3.44Å; D324-N328 PolarHBondContact O-N 2.97Å; D324-N328 PolarHBondContact O-ND2 3.35Å; D324-N328 PolarHBondContact OD1-ND2 2.96Å; D324-N328 PolarHBondContact OD2-ND2 3.3Å; D324-L419 VanDerWaalsContact OD2-CA 3.31Å; D324-L419 WeakPolarHBondContact OD2-CA 3.49Å; D324-T420 VanDerWaalsContact CG-N 3.33Å; D324-T420 VanDerWaalsContact CG-O 3.23Å; D324-T420 WeakPolarHBondContact OD1-CA 3.43Å; D324-T420 WeakPolarHBondContact OD1-CB 3.39Å; D324-T420 PolarHBondContact OD1-N 3.02Å; D324-T420 PolarHBondContact OD1-OG1 3.29Å; D324-T420 PolarHBondContact OD2-N 2.83Å; D324-S456 WeakPolarHBondContact OD2-CB 3.45Å; D324-S456 PolarHBondContact OD2-OG 3.49Å
325	H	91.1	Very high	89.2	Confident	34 Å²	34	52.8 Å²	52.8	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-45.3	179	-174.2	55.4	0	0	0	112.4	A321 A322 K323 N328 M329 K459	A321-H325 VanDerWaalsContact O-CB 3.29Å; A321-H325 WeakPolarHBondContact O-CB 3.21Å; A321-H325 PolarHBondContact O-N 3.46Å; A322-H325 PolarHBondContact O-N 3.06Å; K323-H325 PolarHBondContact O-N 3.1Å; H325-N328 PolarHBondContact O-N 3.06Å; H325-M329 PolarHBondContact NE2-SD 2.83Å; H325-M329 VanDerWaalsContact NE2-SD 3.35Å; H325-M329 WeakPolarHBondContact O-CB 3.4Å; H325-M329 WeakPolarHBondContact O-CG 3.37Å; H325-M329 PolarHBondContact O-N 2.89Å; H325-K459 HydrophobicContact CB-CB 3.87Å; H325-K459 HydrophobicContact CB-CG 4.27Å; H325-K459 PolarHBondContact NE2-O 3.18Å
326	I	91.3	Very high	89	Confident	92 Å²	92	55.1 Å²	55.1	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-45.1	176.5	-69.3	164.8	0	0	0	110.8	A322 K323 M329 V330	A322-I326 WeakPolarHBondContact O-CB 3.39Å; A322-I326 WeakPolarHBondContact O-CD1 3.27Å; A322-I326 VanDerWaalsContact O-CG1 3.24Å; A322-I326 WeakPolarHBondContact O-CG1 3.36Å; A322-I326 PolarHBondContact O-N 3.04Å; K323-I326 PolarHBondContact O-N 3.09Å; I326-M329 PolarHBondContact O-N 3.38Å; I326-V330 HydrophobicContact CG2-CG2 4.46Å; I326-V330 WeakPolarHBondContact O-CG2 3.34Å; I326-V330 PolarHBondContact O-N 3.05Å
327	M	92.5	Very high	88.5	Confident	39 Å²	39	59.6 Å²	59.6	19%	0.192	32%	0.323	C	S	.	.	H	α-helix	trans	-56.2	-53	176	177.8	-174.4	75.1	0	0	111.2	K323 D324 M329 V330 H331 V412 T420	K323-M327 VanDerWaalsContact O-CB 3.29Å; K323-M327 WeakPolarHBondContact O-CB 3.22Å; K323-M327 PolarHBondContact O-N 3.37Å; D324-M327 PolarHBondContact O-N 3.48Å; M327-M329 VanDerWaalsContact C-N 3.33Å; M327-M329 PolarHBondContact O-N 3.4Å; M327-V330 PolarHBondContact O-N 3.48Å; M327-H331 PolarHBondContact O-CD2 3.22Å; M327-H331 PolarHBondContact O-N 3.33Å; M327-V412 HydrophobicContact CE-CG1 4.01Å; M327-V412 HydrophobicContact SD-CG1 4.27Å; M327-T420 HydrophobicContact CE-CG2 4.45Å
328	N	90.7	Very high	88	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-34	179.6	-69.8	-58.5	0	0	0	112.5	D324 H325 Q332 F417 L419	D324-N328 WeakPolarHBondContact O-CB 3.44Å; D324-N328 PolarHBondContact O-N 2.97Å; D324-N328 PolarHBondContact O-ND2 3.35Å; D324-N328 PolarHBondContact OD1-ND2 2.96Å; D324-N328 PolarHBondContact OD2-ND2 3.3Å; H325-N328 PolarHBondContact O-N 3.06Å; N328-Q332 WeakPolarHBondContact O-CB 3.5Å; N328-Q332 VanDerWaalsContact O-CG 3.27Å; N328-Q332 WeakPolarHBondContact O-CG 3.5Å; N328-Q332 PolarHBondContact O-N 2.94Å; N328-F417 WeakPolarHBondContact OD1-CB 3.41Å; N328-L419 WeakPolarHBondContact ND2-CA 3.42Å
329	M	89	Confident	87.5	Confident	81 Å²	81	65.8 Å²	65.8	40%	0.399	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-46.3	171.9	-79.6	-169.6	71	0	0	112.3	H325 I326 M327 Q332 M333	H325-M329 PolarHBondContact NE2-SD 2.83Å; H325-M329 VanDerWaalsContact NE2-SD 3.35Å; H325-M329 WeakPolarHBondContact O-CB 3.4Å; H325-M329 WeakPolarHBondContact O-CG 3.37Å; H325-M329 PolarHBondContact O-N 2.89Å; I326-M329 PolarHBondContact O-N 3.38Å; M327-M329 VanDerWaalsContact C-N 3.33Å; M327-M329 PolarHBondContact O-N 3.4Å; M329-Q332 PolarHBondContact O-N 2.95Å; M329-M333 HydrophobicContact CE-CE 4.41Å; M329-M333 WeakPolarHBondContact O-CG 3.49Å; M329-M333 PolarHBondContact O-N 3.34Å
330	V	91.3	Very high	86.9	Confident	36 Å²	36	65.6 Å²	65.6	22%	0.218	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-43.8	179.3	170	0	0	0	0	110.8	I326 M327 Q332 M333 A334 L698	I326-V330 HydrophobicContact CG2-CG2 4.46Å; I326-V330 WeakPolarHBondContact O-CG2 3.34Å; I326-V330 PolarHBondContact O-N 3.05Å; M327-V330 PolarHBondContact O-N 3.48Å; V330-Q332 PolarHBondContact O-N 3.24Å; V330-M333 PolarHBondContact O-N 2.86Å; V330-A334 PolarHBondContact O-N 3.46Å; V330-L698 HydrophobicContact CG1-CD1 4.38Å
331	H	91.3	Very high	86.1	Confident	45 Å²	45	66.9 Å²	66.9	21%	0.208	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-32.4	174.4	-67.3	-70.5	0	0	0	113	M327 A334 V413 G415	M327-H331 PolarHBondContact O-CD2 3.22Å; M327-H331 PolarHBondContact O-N 3.33Å; H331-A334 PolarHBondContact O-N 3.12Å; H331-V413 PolarHBondContact ND1-O 3.23Å; H331-G415 VanDerWaalsContact CB-CA 3.48Å
332	Q	88.1	Confident	85.1	Confident	36 Å²	36	66.8 Å²	66.8	17%	0.168	36%	0.356	C	S	.	.	H	α-helix	trans	-68.9	-32.8	172.3	-79.4	179.1	44.8	0	0	113	N328 M329 V330 A334 Q335 G415 F417	N328-Q332 WeakPolarHBondContact O-CB 3.5Å; N328-Q332 VanDerWaalsContact O-CG 3.27Å; N328-Q332 WeakPolarHBondContact O-CG 3.5Å; N328-Q332 PolarHBondContact O-N 2.94Å; M329-Q332 PolarHBondContact O-N 2.95Å; V330-Q332 PolarHBondContact O-N 3.24Å; Q332-A334 PolarHBondContact O-N 3.14Å; Q332-Q335 PolarHBondContact O-N 2.81Å; Q332-Q335 VanDerWaalsContact O-N 3.08Å; Q332-G415 WeakPolarHBondContact CG-O 3.37Å; Q332-F417 PolarHBondContact NE2-O 3.44Å
333	M	86.6	Confident	84	Confident	136 Å²	136	68.9 Å²	68.9	67%	0.67	37%	0.365	S	S	*	.	H	α-helix	trans	-65.1	-22.9	174	-74.6	-175.8	173.8	0	0	113	M329 V330 Q335	M329-M333 HydrophobicContact CE-CE 4.41Å; M329-M333 WeakPolarHBondContact O-CG 3.49Å; M329-M333 PolarHBondContact O-N 3.34Å; V330-M333 PolarHBondContact O-N 2.86Å; M333-Q335 VanDerWaalsContact C-N 3.32Å
334	A	86.2	Confident	82.5	Confident	86 Å²	86	68.8 Å²	68.8	71%	0.711	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.3	173	0	0	0	0	0	114	V330 H331 Q332	V330-A334 PolarHBondContact O-N 3.46Å; H331-A334 PolarHBondContact O-N 3.12Å; Q332-A334 PolarHBondContact O-N 3.14Å
335	Q	83.1	Confident	80.5	Confident	34 Å²	34	70.8 Å²	70.8	16%	0.159	38%	0.381	C	S	.	.	S	Bend	trans	-87.3	155.1	173.9	-77.8	-165.9	39.4	0	0	112.7	Q332 M333 Q337 M414 G415 K416	Q332-Q335 PolarHBondContact O-N 2.81Å; Q332-Q335 VanDerWaalsContact O-N 3.08Å; M333-Q335 VanDerWaalsContact C-N 3.32Å; Q335-Q337 PolarHBondContact O-N 2.7Å; Q335-Q337 PolarHBondContact O-NE2 2.88Å; Q335-M414 WeakPolarHBondContact CG-O 3.48Å; Q335-M414 PolarHBondContact NE2-O 3.03Å; Q335-G415 PolarHBondContact NE2-O 3.33Å; Q335-K416 VanDerWaalsContact CD-NZ 3.27Å; Q335-K416 VanDerWaalsContact NE2-CE 3.27Å; Q335-K416 VanDerWaalsContact NE2-NZ 3.17Å
336	P	82.5	Confident	78.6	Confident	102 Å²	102	74.2 Å²	74.2	66%	0.662	40%	0.404	S	S	*	.			trans	-54.2	131.3	166.8	-23.2	33.8	0	0	0	111	V338	P336-V338 PolarHBondContact O-N 2.86Å
337	Q	76.1	Confident	76.7	Confident	154 Å²	154	75.9 Å²	75.9	72%	0.72	42%	0.422	S	S	*	.			trans	-72.2	112	177.6	-62.1	-59.3	-47.8	0	0	109.7	Q335	Q335-Q337 PolarHBondContact O-N 2.7Å; Q335-Q337 PolarHBondContact O-NE2 2.88Å
338	V	78.2	Confident	74.8	Confident	86 Å²	86	81 Å²	81	52%	0.521	45%	0.45	S	S	.	.			trans	-113.6	141.4	178.6	178.5	0	0	0	0	108.8	P336 Y340	P336-V338 PolarHBondContact O-N 2.86Å; V338-Y340 HydrophobicContact CB-CE1 4.23Å; V338-Y340 HydrophobicContact CB-CE2 4.43Å; V338-Y340 HydrophobicContact CG1-CE1 4.37Å; V338-Y340 WeakPolarHBondContact O-CD2 3.25Å; V338-Y340 VanDerWaalsContact O-CE2 3.23Å; V338-Y340 WeakPolarHBondContact O-CE2 3.38Å; V338-Y340 PolarHBondContact O-N 2.89Å
339	L	76.7	Confident	73.6	Confident	143 Å²	143	83 Å²	83	75%	0.749	46%	0.462	S	S	*	.			trans	-75.7	117	171.9	-162.6	84.5	0	0	0	109.2	M344	L339-M344 HydrophobicContact CD1-SD 4.42Å; L339-M344 HydrophobicContact CD2-CE 4.37Å; L339-M344 HydrophobicContact CD2-CG 4.28Å; L339-M344 HydrophobicContact CD2-SD 4.44Å; L339-M344 HydrophobicContact CG-CG 4.32Å
340	Y	77.4	Confident	72.7	Confident	49 Å²	49	81.6 Å²	81.6	19%	0.192	46%	0.459	C	S	.	.			trans	-98	137.3	-178.6	-61.5	-73.3	0	0	0	111.7	V338 S342 T343 M344 R432 E436	V338-Y340 HydrophobicContact CB-CE1 4.23Å; V338-Y340 HydrophobicContact CB-CE2 4.43Å; V338-Y340 HydrophobicContact CG1-CE1 4.37Å; V338-Y340 WeakPolarHBondContact O-CD2 3.25Å; V338-Y340 VanDerWaalsContact O-CE2 3.23Å; V338-Y340 WeakPolarHBondContact O-CE2 3.38Å; V338-Y340 PolarHBondContact O-N 2.89Å; Y340-S342 VanDerWaalsContact C-N 3.27Å; Y340-S342 PolarHBondContact O-N 3.47Å; Y340-T343 WeakPolarHBondContact O-CA 3.48Å; Y340-T343 PolarHBondContact O-N 3.4Å; Y340-M344 PolarHBondContact O-N 2.87Å; Y340-R432 HydrophobicContact CD1-CG 4.4Å; Y340-R432 HydrophobicContact CE1-CG 4.29Å; Y340-R432 VanDerWaalsContact CE2-CD 3.41Å; Y340-E436 WeakPolarHBondContact CA-OE1 3.47Å; Y340-E436 HydrophobicContact CD1-CG 4.25Å
341	Q	72.4	Confident	72.1	Confident	100 Å²	100	80.9 Å²	80.9	47%	0.467	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-62.3	-36.8	173.2	-170.2	62.8	30.5	0	0	110.7	T343 M344 E436 A439	Q341-T343 PolarHBondContact O-N 3.29Å; Q341-T343 VanDerWaalsContact O-N 3.1Å; Q341-M344 PolarHBondContact O-N 3.49Å; Q341-M344 VanDerWaalsContact O-N 3.09Å; Q341-E436 PolarHBondContact N-OE1 2.95Å; Q341-E436 PolarHBondContact N-OE2 3.38Å; Q341-A439 HydrophobicContact CB-CB 4.21Å; Q341-A439 HydrophobicContact CG-CB 4.25Å
342	S	70.2	Confident	71.6	Confident	3 Å²	3	79.7 Å²	79.7	2%	0.021	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-63.9	-7.7	170.8	56.8	0	0	0	0	114.6	Y340 Y351 E436 F462	Y340-S342 VanDerWaalsContact C-N 3.27Å; Y340-S342 PolarHBondContact O-N 3.47Å; S342-Y351 WeakPolarHBondContact O-CB 3.14Å; S342-E436 WeakPolarHBondContact CB-OE2 3.26Å; S342-E436 PolarHBondContact N-OE2 3.35Å; S342-E436 PolarHBondContact OG-OE2 2.93Å; S342-F462 WeakPolarHBondContact O-CE1 3.47Å
343	T	68.3	Low	71.6	Confident	79 Å²	79	78.1 Å²	78.1	49%	0.485	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-111.7	5.1	176	-48.9	0	0	0	0	112.2	Y340 Q341 R432	Y340-T343 WeakPolarHBondContact O-CA 3.48Å; Y340-T343 PolarHBondContact O-N 3.4Å; Q341-T343 PolarHBondContact O-N 3.29Å; Q341-T343 VanDerWaalsContact O-N 3.1Å; T343-R432 PolarHBondContact OG1-NH1 3.49Å
344	M	57.9	Low	71.8	Confident	96 Å²	96	72 Å²	72	47%	0.473	41%	0.411	S	S	.	.			trans	-126.5	101.7	-179.3	-69.2	-76.1	-74.7	0	0	109.9	L339 Y340 Q341	L339-M344 HydrophobicContact CD1-SD 4.42Å; L339-M344 HydrophobicContact CD2-CE 4.37Å; L339-M344 HydrophobicContact CD2-CG 4.28Å; L339-M344 HydrophobicContact CD2-SD 4.44Å; L339-M344 HydrophobicContact CG-CG 4.32Å; Y340-M344 PolarHBondContact O-N 2.87Å; Q341-M344 PolarHBondContact O-N 3.49Å; Q341-M344 VanDerWaalsContact O-N 3.09Å
345	P	50.1	Low	72.2	Confident	55 Å²	55	68 Å²	68	36%	0.357	38%	0.378	S	S	.	.	S	Bend		-147.1	122.9	98.6	34.7	-17.9	0	0	0	114.1	T349	P345-T349 VanDerWaalsContact O-O 3.08Å; P345-T349 PolarHBondContact O-OG1 3.23Å
346	T	50.8	Low	72.7	Confident	105 Å²	105	66.4 Å²	66.4	64%	0.644	37%	0.371	S	S	*	.			trans	56.6	146.7	177.1	32.6	0	0	0	0	116.9	N348 T349	T346-N348 PolarHBondContact O-N 3.1Å; T346-T349 PolarHBondContact O-N 2.87Å; T346-T349 PolarHBondContact OG1-OG1 2.99Å
347	P	52.2	Low	73.3	Confident	128 Å²	128	61.6 Å²	61.6	83%	0.831	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.2	-170.8	25.9	-35.6	0	0	0	115.4
348	N	52.8	Low	74	Confident	147 Å²	147	54.2 Å²	54.2	79%	0.786	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-5.3	-173.6	-64	2.6	0	0	0	113.9	T346	T346-N348 PolarHBondContact O-N 3.1Å
349	T	63.7	Low	74.6	Confident	42 Å²	42	50.1 Å²	50.1	26%	0.258	28%	0.28	S	S	.	.			trans	-128.8	107.3	-169.3	32.7	0	0	0	0	111.3	P345 T346	P345-T349 VanDerWaalsContact O-O 3.08Å; P345-T349 PolarHBondContact O-OG1 3.23Å; T346-T349 PolarHBondContact O-N 2.87Å; T346-T349 PolarHBondContact OG1-OG1 2.99Å
350	P	70.3	Confident	75.1	Confident	51 Å²	51	44.4 Å²	44.4	33%	0.331	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-70.7	152.2	178.5	30.7	-34.6	0	0	0	111.2	K463	P350-K463 HydrophobicContact CB-CB 4.39Å; P350-K463 HydrophobicContact CG-CB 4.11Å
351	Y	78.8	Confident	75.4	Confident	21 Å²	21	42.3 Å²	42.3	8%	0.082	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-58.3	128.4	175.3	170.5	-103	0	0	0	111.3	S342 M353 I435 A439 V443 C445 F462	S342-Y351 WeakPolarHBondContact O-CB 3.14Å; Y351-M353 PolarHBondContact O-N 3.09Å; Y351-I435 HydrophobicContact CD1-CG2 4.03Å; Y351-I435 HydrophobicContact CE1-CG2 3.62Å; Y351-A439 HydrophobicContact CD2-CB 4.3Å; Y351-A439 HydrophobicContact CE1-CB 4.41Å; Y351-A439 HydrophobicContact CE2-CB 3.6Å; Y351-A439 VanDerWaalsContact OH-CA 3.31Å; Y351-A439 WeakPolarHBondContact OH-CA 3.49Å; Y351-A439 PolarHBondContact OH-N 3.34Å; Y351-V443 PolarHBondContact OH-O 2.85Å; Y351-C445 HydrophobicContact CE1-CB 3.68Å; Y351-F462 HydrophobicContact CD1-CD1 4.46Å; Y351-F462 HydrophobicContact CD1-CE1 4.26Å
352	P	81.6	Confident	76	Confident	20 Å²	20	37.9 Å²	37.9	13%	0.13	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-69.6	126.2	-171.7	27.4	-36	0	0	0	112.2	V444 C445 F659	P352-V444 HydrophobicContact CB-CG1 4.28Å; P352-V444 HydrophobicContact CB-CG2 4.09Å; P352-V444 HydrophobicContact CG-CG2 4.16Å; P352-C445 PolarHBondContact O-N 3.35Å; P352-F659 HydrophobicContact CB-CD2 4.05Å; P352-F659 HydrophobicContact CB-CE2 3.83Å
353	M	87.9	Confident	76.7	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	140	-177	176.1	-162.1	-60.4	0	0	110.7	Y351 V355 I435 C445 L447 L457 F462 P464 R465	Y351-M353 PolarHBondContact O-N 3.09Å; M353-V355 HydrophobicContact CG-CG2 4.31Å; M353-V355 HydrophobicContact SD-CG2 4.18Å; M353-I435 HydrophobicContact CE-CD1 3.8Å; M353-I435 HydrophobicContact CE-CG1 4.42Å; M353-I435 HydrophobicContact CE-CG2 4.1Å; M353-C445 CarbonylContact C-O 3.59Å; M353-C445 VanDerWaalsContact CA-O 3.25Å; M353-C445 WeakPolarHBondContact CA-O 3.27Å; M353-C445 HydrophobicContact CB-CB 4.38Å; M353-C445 HydrophobicContact CG-CB 4.25Å; M353-C445 WeakPolarHBondContact CG-O 3.1Å; M353-L447 HydrophobicContact CE-CD1 4.29Å; M353-L447 HydrophobicContact CG-CD1 4.07Å; M353-L447 HydrophobicContact CG-CG 4.46Å; M353-L447 HydrophobicContact SD-CD1 3.56Å; M353-L447 VanDerWaalsContact SD-CD1 3.56Å; M353-L457 HydrophobicContact SD-CD2 4.12Å; M353-F462 HydrophobicContact CE-CB 4.04Å; M353-F462 HydrophobicContact CE-CD1 3.75Å; M353-F462 HydrophobicContact CE-CE1 4.35Å; M353-F462 HydrophobicContact CE-CG 3.84Å; M353-P464 HydrophobicContact CB-CB 3.8Å; M353-P464 HydrophobicContact CG-CB 3.74Å; M353-P464 VanDerWaalsContact O-CA 3.23Å; M353-P464 WeakPolarHBondContact O-CA 3.45Å; M353-P464 WeakPolarHBondContact O-CB 3.34Å; M353-P464 HydrophobicContact SD-CB 3.72Å; M353-P464 HydrophobicContact SD-CG 3.98Å; M353-R465 PolarHBondContact O-N 2.82Å
354	L	91.3	Very high	77.8	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.1	-178.7	-178.2	64.8	0	0	0	109.7	L371 C445 C446 L447 R465 I467 V533	L354-L371 HydrophobicContact CD2-CD2 4.05Å; L354-C445 PolarHBondContact N-O 3.06Å; L354-C446 WeakPolarHBondContact O-CA 3.27Å; L354-L447 PolarHBondContact O-N 2.82Å; L354-R465 HydrophobicContact CD1-CB 4.15Å; L354-I467 HydrophobicContact CD1-CD1 3.81Å; L354-I467 HydrophobicContact CD1-CG1 4.13Å; L354-V533 HydrophobicContact CD2-CG2 4.06Å
355	V	93.8	Very high	79.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.4	-176.2	178.5	0	0	0	0	110	M353 L447 M449 L457 P464 R465 Y466 I467	M353-V355 HydrophobicContact CG-CG2 4.31Å; M353-V355 HydrophobicContact SD-CG2 4.18Å; V355-L447 HydrophobicContact CG2-CB 4.29Å; V355-L447 HydrophobicContact CG2-CD1 4.4Å; V355-M449 HydrophobicContact CG1-CE 3.98Å; V355-M449 HydrophobicContact CG1-CG 3.72Å; V355-M449 HydrophobicContact CG1-SD 3.86Å; V355-M449 HydrophobicContact CG2-CE 4.41Å; V355-L457 HydrophobicContact CG2-CD2 3.77Å; V355-P464 HydrophobicContact CG2-CB 3.78Å; V355-P464 HydrophobicContact CG2-CG 3.83Å; V355-R465 PolarHBondContact N-O 3.36Å; V355-Y466 HydrophobicContact CB-CD1 3.78Å; V355-Y466 HydrophobicContact CB-CE1 4.05Å; V355-Y466 HydrophobicContact CG1-CD1 3.8Å; V355-Y466 HydrophobicContact CG1-CE1 3.99Å; V355-Y466 HydrophobicContact CG2-CD1 4.38Å; V355-Y466 HydrophobicContact CG2-CE1 4.17Å; V355-Y466 WeakPolarHBondContact O-CA 3.17Å; V355-I467 PolarHBondContact O-N 3.21Å
356	L	94.4	Very high	81	Confident	2 Å²	2	34 Å²	34	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.3	171.6	-82.2	163	0	0	0	110.9	L367 V368 L447 H448 M449 I467 L469 L529	L356-L367 HydrophobicContact CD1-CB 4.36Å; L356-V368 HydrophobicContact CB-CG2 4.3Å; L356-V368 HydrophobicContact CD1-CG2 3.66Å; L356-L447 PolarHBondContact N-O 3.24Å; L356-H448 WeakPolarHBondContact O-CA 3.24Å; L356-H448 WeakPolarHBondContact O-CB 3.48Å; L356-M449 PolarHBondContact O-N 3.07Å; L356-I467 HydrophobicContact CD2-CB 3.68Å; L356-I467 HydrophobicContact CD2-CG2 3.63Å; L356-L469 HydrophobicContact CB-CD1 4.46Å; L356-L469 HydrophobicContact CD2-CD1 3.87Å; L356-L469 HydrophobicContact CD2-CG 4.14Å; L356-L529 HydrophobicContact CD1-CD1 4.29Å; L356-L529 HydrophobicContact CD1-CD2 3.89Å; L356-L529 HydrophobicContact CD2-CD1 4.19Å
357	T	94.1	Very high	82.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-177.2	177.9	-163.6	0	0	0	0	112.2	K364 M449 I454 I467 L468 L469 F513	T357-K364 VanDerWaalsContact C-CD 3.5Å; T357-M449 WeakPolarHBondContact CA-O 3.35Å; T357-M449 WeakPolarHBondContact CB-O 3.27Å; T357-M449 PolarHBondContact OG1-O 2.9Å; T357-I454 VanDerWaalsContact CB-CD1 3.42Å; T357-I454 HydrophobicContact CG2-CD1 3.41Å; T357-I454 VanDerWaalsContact CG2-CD1 3.41Å; T357-I454 WeakPolarHBondContact OG1-CD1 3.22Å; T357-I467 PolarHBondContact N-O 3.47Å; T357-L468 HydrophobicContact CG2-CB 4.3Å; T357-L468 HydrophobicContact CG2-CD1 3.9Å; T357-L469 VanDerWaalsContact O-CB 3.29Å; T357-L469 WeakPolarHBondContact O-CB 3.25Å; T357-L469 PolarHBondContact O-N 2.79Å; T357-F513 HydrophobicContact CG2-CD1 4.07Å; T357-F513 HydrophobicContact CG2-CE1 3.67Å
358	G	91.5	Very high	84.8	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.			trans	132.6	174.4	-174.1	0	0	0	0	0	111.2	K364 L469 Y502	G358-K364 PolarHBondContact O-NZ 3.32Å; G358-L469 WeakPolarHBondContact CA-O 3.38Å; G358-Y502 PolarHBondContact O-OH 3.34Å
359	P	90.6	Very high	86.5	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-55.9	156.8	175	-23.4	30.6	0	0	0	114.4	C362 K364 L469 P471 F477 V499 Y502	P359-C362 WeakPolarHBondContact O-CB 3.43Å; P359-C362 PolarHBondContact O-N 2.89Å; P359-C362 PolarHBondContact O-SG 3.35Å; P359-K364 VanDerWaalsContact C-NZ 3.29Å; P359-K364 PolarHBondContact O-NZ 3.07Å; P359-L469 WeakPolarHBondContact CD-O 3.11Å; P359-P471 HydrophobicContact CG-CG 4.33Å; P359-F477 HydrophobicContact CB-CZ 4.06Å; P359-V499 HydrophobicContact CG-CG2 3.97Å; P359-Y502 HydrophobicContact CB-CE2 4.27Å; P359-Y502 HydrophobicContact CG-CD2 3.71Å; P359-Y502 HydrophobicContact CG-CE2 3.9Å
360	E	87.1	Confident	87.9	Confident	22 Å²	22	20.1 Å²	20.1	10%	0.103	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	145.7	163.2	-177.1	171.5	-154.4	0	0	110.5	C362 Y423 E450 F477 Y487 A495	E360-C362 VanDerWaalsContact C-N 3.32Å; E360-C362 PolarHBondContact O-N 3.04Å; E360-Y423 VanDerWaalsContact CB-OH 3.27Å; E360-Y423 WeakPolarHBondContact CB-OH 3.28Å; E360-Y423 VanDerWaalsContact OE2-CE1 3.24Å; E360-Y423 WeakPolarHBondContact OE2-CE1 3.4Å; E360-Y423 PolarHBondContact OE2-OH 3.44Å; E360-E450 PolarHBondContact N-OE1 3.11Å; E360-F477 WeakPolarHBondContact O-CE2 3.41Å; E360-F477 WeakPolarHBondContact O-CZ 3.38Å; E360-Y487 HydrophobicContact CG-CD1 4.29Å; E360-Y487 HydrophobicContact CG-CE1 3.73Å; E360-A495 HydrophobicContact CB-CB 4.26Å
361	G	82.9	Confident	88.8	Confident	6 Å²	6	17.7 Å²	17.7	6%	0.062	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-20	-174.3	0	0	0	0	0	116	R363 M481	G361-R363 PolarHBondContact O-N 2.72Å; G361-M481 VanDerWaalsContact CA-SD 3.51Å
362	C	85	Confident	89.3	Confident	7 Å²	7	17.6 Å²	17.6	5%	0.047	8%	0.084	C	C	.	.	S	Bend	trans	-70.2	18.7	178.7	-59	0	0	0	0	114.9	P359 E360 K364 L469	P359-C362 WeakPolarHBondContact O-CB 3.43Å; P359-C362 PolarHBondContact O-N 2.89Å; P359-C362 PolarHBondContact O-SG 3.35Å; E360-C362 VanDerWaalsContact C-N 3.32Å; E360-C362 PolarHBondContact O-N 3.04Å; C362-K364 HydrophobicContact CB-CG 4.32Å; C362-K364 PolarHBondContact O-N 2.76Å; C362-L469 HydrophobicContact CB-CB 4.29Å
363	R	86.6	Confident	89.6	Confident	86 Å²	86	26.4 Å²	26.4	33%	0.325	11%	0.114	S	C	.	.			trans	50.1	26.6	176.1	-59.9	-173.1	64.6	-158.8	-5.4	116	G361 G365 D366 L367 H480 Y522	G361-R363 PolarHBondContact O-N 2.72Å; R363-G365 VanDerWaalsContact C-N 3.3Å; R363-G365 PolarHBondContact O-N 3.06Å; R363-G365 VanDerWaalsContact O-N 3.14Å; R363-D366 HydrophobicContact CB-CB 4.32Å; R363-D366 IonicContact CZ-OD2 3.47Å; R363-D366 VanDerWaalsContact CZ-OD2 3.24Å; R363-D366 IonicContact NE-OD2 2.6Å; R363-D366 PolarHBondContact NE-OD2 3.37Å; R363-D366 IonicContact NH2-OD2 3.68Å; R363-D366 PolarHBondContact NH2-OD2 3.21Å; R363-D366 WeakPolarHBondContact O-CB 3.19Å; R363-D366 PolarHBondContact O-N 2.84Å; R363-L367 PolarHBondContact O-N 2.92Å; R363-H480 WeakPolarHBondContact CD-NE2 3.32Å; R363-Y522 HydrophobicContact CB-CD2 4.41Å; R363-Y522 VanDerWaalsContact NH1-CD2 3.31Å
364	K	90.2	Very high	89.5	Confident	17 Å²	17	31.5 Å²	31.5	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-44.2	-49.5	-177.7	-51.7	-171.6	-76	-92.7	0	113.4	T357 G358 P359 C362 L367 V368 H448 E450 L469	T357-K364 VanDerWaalsContact C-CD 3.5Å; G358-K364 PolarHBondContact O-NZ 3.32Å; P359-K364 VanDerWaalsContact C-NZ 3.29Å; P359-K364 PolarHBondContact O-NZ 3.07Å; C362-K364 HydrophobicContact CB-CG 4.32Å; C362-K364 PolarHBondContact O-N 2.76Å; K364-L367 PolarHBondContact O-N 3.48Å; K364-V368 PolarHBondContact O-N 3.1Å; K364-V368 VanDerWaalsContact O-N 3.11Å; K364-H448 HydrophobicContact CB-CB 3.9Å; K364-E450 IonicContact NZ-OE1 3.33Å; K364-E450 PolarHBondContact NZ-OE1 2.83Å; K364-L469 HydrophobicContact CB-CD1 4.32Å; K364-L469 HydrophobicContact CG-CD1 3.91Å
365	G	87.4	Confident	89.2	Confident	11 Å²	11	34.5 Å²	34.5	11%	0.113	15%	0.151	C	C	.	.	H	α-helix	trans	-68.9	-28.9	178.8	0	0	0	0	0	115.4	R363 R369 H448	R363-G365 VanDerWaalsContact C-N 3.3Å; R363-G365 PolarHBondContact O-N 3.06Å; R363-G365 VanDerWaalsContact O-N 3.14Å; G365-R369 VanDerWaalsContact O-CB 3.32Å; G365-R369 WeakPolarHBondContact O-CB 3.45Å; G365-R369 VanDerWaalsContact O-CG 3.25Å; G365-R369 WeakPolarHBondContact O-CG 3.46Å; G365-R369 PolarHBondContact O-N 3.14Å; G365-R369 PolarHBondContact O-NE 3.17Å; G365-R369 VanDerWaalsContact O-NE 3.07Å; G365-H448 WeakPolarHBondContact CA-CD2 3.37Å; G365-H448 WeakPolarHBondContact CA-NE2 3.34Å
366	D	88.4	Confident	88.5	Confident	37 Å²	37	36.7 Å²	36.7	20%	0.198	17%	0.173	C	C	.	.	H	α-helix	trans	-69.2	-39.6	174.2	-68.5	-13.7	0	0	0	111	R363 R369 R370 Y522	R363-D366 HydrophobicContact CB-CB 4.32Å; R363-D366 IonicContact CZ-OD2 3.47Å; R363-D366 VanDerWaalsContact CZ-OD2 3.24Å; R363-D366 IonicContact NE-OD2 2.6Å; R363-D366 PolarHBondContact NE-OD2 3.37Å; R363-D366 IonicContact NH2-OD2 3.68Å; R363-D366 PolarHBondContact NH2-OD2 3.21Å; R363-D366 WeakPolarHBondContact O-CB 3.19Å; R363-D366 PolarHBondContact O-N 2.84Å; D366-R369 PolarHBondContact O-N 3.09Å; D366-R369 IonicContact OD1-CZ 3.75Å; D366-R369 IonicContact OD1-NE 2.81Å; D366-R369 IonicContact OD1-NH2 3.76Å; D366-R369 PolarHBondContact OD1-NH2 2.93Å; D366-R370 WeakPolarHBondContact O-CB 3.43Å; D366-R370 PolarHBondContact O-N 3.07Å; D366-Y522 HydrophobicContact CB-CE2 3.84Å; D366-Y522 PolarHBondContact O-OH 3Å
367	L	91.2	Very high	87.8	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-47.4	176.3	-67	169.2	0	0	0	111.4	L356 R363 K364 R369 R370 L371 L469 Y522 A525 Y526 L529	L356-L367 HydrophobicContact CD1-CB 4.36Å; R363-L367 PolarHBondContact O-N 2.92Å; K364-L367 PolarHBondContact O-N 3.48Å; L367-R369 VanDerWaalsContact C-N 3.35Å; L367-R369 PolarHBondContact O-N 3.15Å; L367-R370 PolarHBondContact O-N 3.35Å; L367-L371 PolarHBondContact O-N 3.03Å; L367-L469 HydrophobicContact CD1-CD1 3.69Å; L367-L469 HydrophobicContact CD1-CD2 3.74Å; L367-L469 HydrophobicContact CD1-CG 4.39Å; L367-Y522 HydrophobicContact CD2-CD2 3.88Å; L367-Y522 HydrophobicContact CD2-CE2 3.56Å; L367-Y522 HydrophobicContact CG-CD2 4.31Å; L367-Y522 HydrophobicContact CG-CE2 3.89Å; L367-A525 HydrophobicContact CD1-CB 4.46Å; L367-Y526 HydrophobicContact CD2-CD2 3.89Å; L367-Y526 HydrophobicContact CD2-CG 4.32Å; L367-L529 HydrophobicContact CB-CD2 4.15Å
368	V	91.1	Very high	87.1	Confident	2 Å²	2	48 Å²	48	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-55	-48.6	172.9	166.5	0	0	0	0	111.3	L356 K364 R370 L371 C372 V381 C446 H448	L356-V368 HydrophobicContact CB-CG2 4.3Å; L356-V368 HydrophobicContact CD1-CG2 3.66Å; K364-V368 PolarHBondContact O-N 3.1Å; K364-V368 VanDerWaalsContact O-N 3.11Å; V368-R370 PolarHBondContact O-N 2.73Å; V368-L371 PolarHBondContact O-N 2.93Å; V368-C372 PolarHBondContact O-N 2.89Å; V368-C372 PolarHBondContact O-SG 3.01Å; V368-V381 HydrophobicContact CG1-CB 4.4Å; V368-V381 HydrophobicContact CG1-CG1 3.93Å; V368-V381 HydrophobicContact CG1-CG2 3.8Å; V368-C446 HydrophobicContact CG1-CB 3.87Å; V368-H448 HydrophobicContact CG2-CB 4.33Å
369	R	89.8	Confident	87	Confident	46 Å²	46	48.6 Å²	48.6	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-69.7	-28.9	-180	-73.7	179.6	-67.8	-116.9	12.8	113.7	G365 D366 L367 R373 D399	G365-R369 VanDerWaalsContact O-CB 3.32Å; G365-R369 WeakPolarHBondContact O-CB 3.45Å; G365-R369 VanDerWaalsContact O-CG 3.25Å; G365-R369 WeakPolarHBondContact O-CG 3.46Å; G365-R369 PolarHBondContact O-N 3.14Å; G365-R369 PolarHBondContact O-NE 3.17Å; G365-R369 VanDerWaalsContact O-NE 3.07Å; D366-R369 PolarHBondContact O-N 3.09Å; D366-R369 IonicContact OD1-CZ 3.75Å; D366-R369 IonicContact OD1-NE 2.81Å; D366-R369 IonicContact OD1-NH2 3.76Å; D366-R369 PolarHBondContact OD1-NH2 2.93Å; L367-R369 VanDerWaalsContact C-N 3.35Å; L367-R369 PolarHBondContact O-N 3.15Å; R369-R373 WeakPolarHBondContact O-CB 3.44Å; R369-R373 WeakPolarHBondContact O-CD 3.37Å; R369-R373 WeakPolarHBondContact O-CG 3.27Å; R369-R373 PolarHBondContact O-N 3.1Å; R369-D399 IonicContact CZ-OD1 2.94Å; R369-D399 VanDerWaalsContact CZ-OD1 3.25Å; R369-D399 IonicContact NH1-OD1 2.7Å; R369-D399 PolarHBondContact NH1-OD1 3.28Å; R369-D399 IonicContact NH2-OD1 2.76Å; R369-D399 PolarHBondContact NH2-OD1 3.18Å
370	R	91.3	Very high	86.8	Confident	79 Å²	79	49.4 Å²	49.4	30%	0.298	24%	0.237	S	C	.	.	H	α-helix	trans	-69.1	-48.8	174.1	-168	-179.5	175.1	168.1	2.6	109.9	D366 L367 V368 C372 R373 E374 Y522 D523 Y526	D366-R370 WeakPolarHBondContact O-CB 3.43Å; D366-R370 PolarHBondContact O-N 3.07Å; L367-R370 PolarHBondContact O-N 3.35Å; V368-R370 PolarHBondContact O-N 2.73Å; R370-C372 PolarHBondContact O-N 3.06Å; R370-R373 PolarHBondContact O-N 3.5Å; R370-R373 VanDerWaalsContact O-N 3.13Å; R370-E374 PolarHBondContact O-N 3.13Å; R370-Y522 VanDerWaalsContact NH1-CE1 3.25Å; R370-D523 IonicContact CZ-OD1 3.25Å; R370-D523 VanDerWaalsContact CZ-OD1 3.31Å; R370-D523 IonicContact NH1-OD1 3.31Å; R370-D523 PolarHBondContact NH1-OD1 3.41Å; R370-D523 IonicContact NH2-OD1 2.97Å; R370-D523 PolarHBondContact NH2-OD1 2.97Å; R370-Y526 HydrophobicContact CB-CD2 4.26Å; R370-Y526 HydrophobicContact CB-CE2 3.74Å; R370-Y526 HydrophobicContact CG-CD1 4.44Å; R370-Y526 HydrophobicContact CG-CD2 4.21Å; R370-Y526 HydrophobicContact CG-CE1 3.91Å; R370-Y526 HydrophobicContact CG-CE2 3.67Å; R370-Y526 VanDerWaalsContact CG-CZ 3.5Å
371	L	89.8	Confident	87.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.4	-50.8	176.4	-176.5	67.8	0	0	0	111.7	L354 L367 V368 R373 E374 F375 F379 Y526 L530 V533	L354-L371 HydrophobicContact CD2-CD2 4.05Å; L367-L371 PolarHBondContact O-N 3.03Å; V368-L371 PolarHBondContact O-N 2.93Å; L371-R373 PolarHBondContact O-N 3.4Å; L371-E374 PolarHBondContact O-N 2.77Å; L371-F375 HydrophobicContact CD1-CD2 4.02Å; L371-F375 PolarHBondContact O-N 3.43Å; L371-F379 HydrophobicContact CD1-CE2 4.49Å; L371-F379 HydrophobicContact CD2-CD1 4.34Å; L371-F379 HydrophobicContact CD2-CE1 4.49Å; L371-F379 HydrophobicContact CD2-CG 4.37Å; L371-F379 HydrophobicContact CG-CD2 4.29Å; L371-F379 HydrophobicContact CG-CG 4.4Å; L371-Y526 WeakPolarHBondContact CA-OH 3.38Å; L371-Y526 HydrophobicContact CB-CE2 4.3Å; L371-Y526 PolarHBondContact N-OH 2.92Å; L371-L530 HydrophobicContact CD1-CD2 3.69Å; L371-V533 HydrophobicContact CD1-CG1 4.47Å; L371-V533 HydrophobicContact CD2-CG2 4.33Å
372	C	88.6	Confident	87.4	Confident	19 Å²	19	50.3 Å²	50.3	13%	0.128	24%	0.243	C	C	.	.	H	α-helix	trans	-74.6	-8.9	-178.1	-53.3	0	0	0	0	114.1	V368 R370 G376 F379 V381	V368-C372 PolarHBondContact O-N 2.89Å; V368-C372 PolarHBondContact O-SG 3.01Å; R370-C372 PolarHBondContact O-N 3.06Å; C372-G376 WeakPolarHBondContact O-CA 3.2Å; C372-G376 PolarHBondContact O-N 2.76Å; C372-F379 HydrophobicContact CB-CB 4.45Å; C372-V381 HydrophobicContact CB-CG2 3.78Å
373	R	88.6	Confident	87.8	Confident	205 Å²	205	51.3 Å²	51.3	77%	0.774	25%	0.248	S	C	*	.	H	α-helix	trans	-90.2	-32.6	170.6	-78.1	171.6	-175	-177.8	3.4	112.6	R369 R370 L371	R369-R373 WeakPolarHBondContact O-CB 3.44Å; R369-R373 WeakPolarHBondContact O-CD 3.37Å; R369-R373 WeakPolarHBondContact O-CG 3.27Å; R369-R373 PolarHBondContact O-N 3.1Å; R370-R373 PolarHBondContact O-N 3.5Å; R370-R373 VanDerWaalsContact O-N 3.13Å; L371-R373 PolarHBondContact O-N 3.4Å
374	E	87.1	Confident	88.1	Confident	109 Å²	109	47.6 Å²	47.6	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-84.8	-34	180	-164.3	172.3	166.9	0	0	111.3	R370 L371 Y526	R370-E374 PolarHBondContact O-N 3.13Å; L371-E374 PolarHBondContact O-N 2.77Å; E374-Y526 VanDerWaalsContact OE2-CE1 3.23Å; E374-Y526 WeakPolarHBondContact OE2-CE1 3.43Å; E374-Y526 VanDerWaalsContact OE2-CZ 3.3Å; E374-Y526 PolarHBondContact OE2-OH 2.97Å
375	F	84.4	Confident	88.3	Confident	72 Å²	72	47.9 Å²	47.9	32%	0.316	24%	0.236	S	C	.	.	S	Bend	trans	-123	40.5	-178.8	-62.1	-89.3	0	0	0	112.2	L371 E377 H378 F379 L530	L371-F375 HydrophobicContact CD1-CD2 4.02Å; L371-F375 PolarHBondContact O-N 3.43Å; F375-E377 PolarHBondContact O-N 3.45Å; F375-E377 VanDerWaalsContact O-N 3.09Å; F375-H378 PolarHBondContact O-N 3.22Å; F375-F379 HydrophobicContact CB-CD2 3.7Å; F375-F379 HydrophobicContact CB-CE2 4.13Å; F375-F379 PolarHBondContact O-N 3.25Å; F375-L530 HydrophobicContact CD2-CD2 4.14Å; F375-L530 HydrophobicContact CE2-CD2 3.53Å; F375-L530 HydrophobicContact CZ-CD2 4.29Å
376	G	77.9	Confident	88.7	Confident	46 Å²	46	47.3 Å²	47.3	47%	0.474	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.7	-175.4	0	0	0	0	0	115.9	C372 H378	C372-G376 WeakPolarHBondContact O-CA 3.2Å; C372-G376 PolarHBondContact O-N 2.76Å; G376-H378 VanDerWaalsContact C-N 3.3Å
377	E	80.5	Confident	89	Confident	169 Å²	169	46.7 Å²	46.7	79%	0.79	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.6	170.3	-61.8	-176.4	158.3	0	0	113.1	F375 V443	F375-E377 PolarHBondContact O-N 3.45Å; F375-E377 VanDerWaalsContact O-N 3.09Å; E377-V443 WeakPolarHBondContact O-CG1 3.33Å
378	H	80.4	Confident	89.1	Confident	72 Å²	72	47.2 Å²	47.2	33%	0.333	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-23.5	-171.2	-67.4	81.4	0	0	0	113.4	F375 G376 V444	F375-H378 PolarHBondContact O-N 3.22Å; G376-H378 VanDerWaalsContact C-N 3.3Å; H378-V444 WeakPolarHBondContact O-CB 3.49Å; H378-V444 PolarHBondContact O-N 2.63Å
379	F	87.5	Confident	89	Confident	12 Å²	12	51.2 Å²	51.2	5%	0.053	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.9	-177.3	-61.2	-84.4	0	0	0	112.7	L371 C372 F375 V444 C446 V533 M537	L371-F379 HydrophobicContact CD1-CE2 4.49Å; L371-F379 HydrophobicContact CD2-CD1 4.34Å; L371-F379 HydrophobicContact CD2-CE1 4.49Å; L371-F379 HydrophobicContact CD2-CG 4.37Å; L371-F379 HydrophobicContact CG-CD2 4.29Å; L371-F379 HydrophobicContact CG-CG 4.4Å; C372-F379 HydrophobicContact CB-CB 4.45Å; F375-F379 HydrophobicContact CB-CD2 3.7Å; F375-F379 HydrophobicContact CB-CE2 4.13Å; F375-F379 PolarHBondContact O-N 3.25Å; F379-V444 WeakPolarHBondContact CA-O 3.41Å; F379-V444 HydrophobicContact CD1-CB 3.67Å; F379-V444 HydrophobicContact CD1-CG1 3.86Å; F379-V444 HydrophobicContact CD1-CG2 4.46Å; F379-V444 HydrophobicContact CE1-CB 3.9Å; F379-V444 HydrophobicContact CE1-CG1 3.88Å; F379-V444 HydrophobicContact CE1-CG2 4.32Å; F379-C446 WeakPolarHBondContact CD1-SG 3.49Å; F379-V533 HydrophobicContact CE1-CG1 4.5Å; F379-V533 HydrophobicContact CE2-CG1 3.93Å; F379-V533 HydrophobicContact CZ-CG1 3.51Å; F379-M537 HydrophobicContact CE1-CE 4.26Å; F379-M537 HydrophobicContact CE2-CE 4.2Å; F379-M537 HydrophobicContact CZ-CE 3.56Å
380	G	88	Confident	89.1	Confident	16 Å²	16	52.7 Å²	52.7	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.4	171.8	0	0	0	0	0	112	V444 C446	G380-V444 PolarHBondContact N-O 2.9Å; G380-C446 PolarHBondContact O-N 3.33Å
381	V	91.7	Very high	88.8	Confident	43 Å²	43	50.9 Å²	50.9	26%	0.261	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.6	-179.7	-173.9	0	0	0	0	110	V368 C372	V368-V381 HydrophobicContact CG1-CB 4.4Å; V368-V381 HydrophobicContact CG1-CG1 3.93Å; V368-V381 HydrophobicContact CG1-CG2 3.8Å; C372-V381 HydrophobicContact CB-CG2 3.78Å
382	G	91.1	Very high	88.4	Confident	4 Å²	4	56.1 Å²	56.1	4%	0.041	30%	0.302	C	S	.	.			trans	-81.8	121.8	167.9	0	0	0	0	0	110.6	C384 A434 C446 L447	G382-C384 PolarHBondContact O-N 3.08Å; G382-A434 WeakPolarHBondContact CA-O 3.22Å; G382-C446 PolarHBondContact N-O 3.38Å; G382-L447 WeakPolarHBondContact O-CD2 3.38Å
383	I	92.5	Very high	88.2	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.149	33%	0.328	C	S	.	.			trans	-90.5	106.1	-170.1	-49.7	176.4	0	0	0	110.7	G397 H401 A434	I383-G397 WeakPolarHBondContact CD1-O 3.31Å; I383-H401 VanDerWaalsContact CG2-CD2 3.41Å; I383-H401 WeakPolarHBondContact CG2-CD2 3.26Å; I383-A434 WeakPolarHBondContact O-CB 3.19Å
384	C	93.3	Very high	88.2	Confident	8 Å²	8	50.3 Å²	50.3	5%	0.054	30%	0.299	C	S	.	.			trans	-65.2	154.8	174.8	-64.4	0	0	0	0	112	G382 Y400 H401	G382-C384 PolarHBondContact O-N 3.08Å; C384-Y400 HydrophobicContact CB-CD1 3.81Å; C384-Y400 HydrophobicContact CB-CE1 3.84Å; C384-Y400 CarbonylContact O-C 3.53Å; C384-Y400 VanDerWaalsContact O-CA 3.24Å; C384-Y400 WeakPolarHBondContact O-CA 3.24Å; C384-Y400 WeakPolarHBondContact O-CB 3.36Å; C384-Y400 WeakPolarHBondContact O-CD1 3.44Å; C384-H401 PolarHBondContact O-N 2.93Å
385	H	94.8	Very high	88.3	Confident	22 Å²	22	52 Å²	52	10%	0.102	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	152.2	172.8	-63.4	34.6	0	0	0	110.3	H401 F408 F417 F428 G429	H385-H401 CarbonylContact C-O 3.48Å; H385-H401 VanDerWaalsContact CA-O 3.32Å; H385-H401 WeakPolarHBondContact CA-O 3.37Å; H385-H401 HydrophobicContact CB-CB 4.25Å; H385-H401 AromaticContact CE1-CD2 3.39Å; H385-H401 PolarHBondContact CE1-CD2 3.21Å; H385-H401 AromaticContact CE1-CG 3.58Å; H385-H401 AromaticContact ND1-CD2 3.61Å; H385-H401 AromaticContact ND1-CG 3.85Å; H385-H401 AromaticContact NE2-CG 3.95Å; H385-F408 HydrophobicContact CB-CE2 4.39Å; H385-F417 HydrophobicContact CB-CE1 3.96Å; H385-F417 HydrophobicContact CB-CZ 4.11Å; H385-F428 CarbonylContact O-C 3.45Å; H385-F428 VanDerWaalsContact O-CA 3.29Å; H385-F428 WeakPolarHBondContact O-CA 3.49Å; H385-G429 PolarHBondContact N-O 3.5Å; H385-G429 PolarHBondContact O-N 2.8Å
386	T	95	Very high	88.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	152.2	174.2	-172.3	0	0	0	0	113.5	R388 Y400 H401 F402 V403 L427 F428	T386-R388 HydrophobicContact CG2-CB 4.11Å; T386-R388 WeakPolarHBondContact OG1-CB 3.22Å; T386-R388 PolarHBondContact OG1-N 3.3Å; T386-R388 VanDerWaalsContact OG1-N 3.1Å; T386-Y400 HydrophobicContact CG2-CD1 3.94Å; T386-Y400 HydrophobicContact CG2-CD2 4.47Å; T386-Y400 HydrophobicContact CG2-CG 3.82Å; T386-H401 PolarHBondContact N-O 3.47Å; T386-F402 HydrophobicContact CG2-CD1 3.57Å; T386-F402 HydrophobicContact CG2-CE1 3.76Å; T386-V403 PolarHBondContact O-N 2.99Å; T386-L427 WeakPolarHBondContact CA-O 3.25Å; T386-L427 PolarHBondContact OG1-O 3.26Å; T386-F428 HydrophobicContact CG2-CD1 4.49Å; T386-F428 HydrophobicContact CG2-CE1 4.29Å; T386-F428 VanDerWaalsContact OG1-CD1 3.29Å; T386-F428 WeakPolarHBondContact OG1-CD1 3.27Å; T386-F428 WeakPolarHBondContact OG1-CE1 3.43Å; T386-F428 WeakPolarHBondContact OG1-CZ 3.4Å
387	T	94.6	Very high	89	Confident	23 Å²	23	52.8 Å²	52.8	14%	0.141	31%	0.309	C	S	.	.	S	Bend	trans	-90.7	-0.5	169.1	65.1	0	0	0	0	113.4	E405 F408 L427	T387-E405 HydrophobicContact CG2-CB 4.22Å; T387-E405 HydrophobicContact CG2-CG 4.46Å; T387-F408 HydrophobicContact CG2-CB 3.65Å; T387-F408 HydrophobicContact CG2-CD2 4.01Å; T387-F408 HydrophobicContact CG2-CG 3.93Å; T387-L427 HydrophobicContact CG2-CB 4.07Å; T387-L427 PolarHBondContact N-O 3.16Å; T387-L427 PolarHBondContact OG1-N 3.23Å
388	R	93	Very high	89.3	Confident	15 Å²	15	48.3 Å²	48.3	6%	0.057	29%	0.293	C	S	.	.	S	Bend	trans	-68.5	135.2	173.2	-177.1	-173.3	56.4	82.2	-17.3	110.3	T386 E394 F402 H426 F428	T386-R388 HydrophobicContact CG2-CB 4.11Å; T386-R388 WeakPolarHBondContact OG1-CB 3.22Å; T386-R388 PolarHBondContact OG1-N 3.3Å; T386-R388 VanDerWaalsContact OG1-N 3.1Å; R388-E394 IonicContact CZ-OE1 2.7Å; R388-E394 IonicContact CZ-OE2 2.65Å; R388-E394 IonicContact NH1-OE1 3.55Å; R388-E394 IonicContact NH1-OE2 2.78Å; R388-E394 PolarHBondContact NH1-OE2 3.23Å; R388-E394 VanDerWaalsContact NH2-CD 3.32Å; R388-E394 IonicContact NH2-OE1 4Å; R388-E394 PolarHBondContact NH2-OE1 3.44Å; R388-E394 IonicContact NH2-OE2 3.75Å; R388-E394 PolarHBondContact NH2-OE2 2.91Å; R388-F402 WeakPolarHBondContact O-CD1 3.1Å; R388-H426 HydrophobicContact CB-CB 4.03Å; R388-F428 HydrophobicContact CB-CZ 4.31Å
389	P	89.5	Confident	89.6	Confident	87 Å²	87	45.8 Å²	45.8	57%	0.565	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-65.5	145.8	171	27.7	-34.6	0	0	0	111.9
390	P	90.8	Very high	89.8	Confident	77 Å²	77	46.9 Å²	46.9	50%	0.5	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-64	139.2	-178.2	24.8	-34.2	0	0	0	113	E394 F402	P390-E394 HydrophobicContact CB-CB 4.2Å; P390-F402 HydrophobicContact CB-CD1 4.33Å; P390-F402 HydrophobicContact CB-CD2 4.07Å; P390-F402 HydrophobicContact CB-CE1 4.04Å; P390-F402 HydrophobicContact CB-CE2 3.8Å; P390-F402 HydrophobicContact CB-CG 4.33Å; P390-F402 HydrophobicContact CB-CZ 3.77Å
391	Y	86.4	Confident	90.1	Very high	40 Å²	40	48.5 Å²	48.5	16%	0.157	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-76	162.2	170.8	-68.8	-59.6	0	0	0	111.4	G393 E394 R486 Y487	Y391-G393 PolarHBondContact O-N 2.86Å; Y391-E394 PolarHBondContact N-OE2 3.24Å; Y391-E394 PolarHBondContact O-N 3.22Å; Y391-R486 HydrophobicContact CD1-CB 4.32Å; Y391-R486 VanDerWaalsContact CE1-O 3.24Å; Y391-R486 WeakPolarHBondContact CE1-O 3.33Å; Y391-Y487 HydrophobicContact CE2-CE1 4.41Å
392	S	81.4	Confident	90.3	Very high	110 Å²	110	48 Å²	48	77%	0.769	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	113.7	175.7	-167.6	0	0	0	0	111.7	R486	S392-R486 PolarHBondContact O-NH2 2.95Å
393	G	82.8	Confident	90.5	Very high	65 Å²	65	48.9 Å²	48.9	67%	0.67	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.7	-11.3	-178.7	0	0	0	0	0	115.8	Y391	Y391-G393 PolarHBondContact O-N 2.86Å
394	E	88.5	Confident	90.7	Very high	38 Å²	38	50.3 Å²	50.3	18%	0.178	30%	0.3	C	S	.	.			trans	-75.4	152.1	174.9	-65.6	-175.6	142.9	0	0	111.9	R388 P390 Y391 D399 F402	R388-E394 IonicContact CZ-OE1 2.7Å; R388-E394 IonicContact CZ-OE2 2.65Å; R388-E394 IonicContact NH1-OE1 3.55Å; R388-E394 IonicContact NH1-OE2 2.78Å; R388-E394 PolarHBondContact NH1-OE2 3.23Å; R388-E394 VanDerWaalsContact NH2-CD 3.32Å; R388-E394 IonicContact NH2-OE1 4Å; R388-E394 PolarHBondContact NH2-OE1 3.44Å; R388-E394 IonicContact NH2-OE2 3.75Å; R388-E394 PolarHBondContact NH2-OE2 2.91Å; P390-E394 HydrophobicContact CB-CB 4.2Å; Y391-E394 PolarHBondContact N-OE2 3.24Å; Y391-E394 PolarHBondContact O-N 3.22Å; E394-D399 VanDerWaalsContact CA-OD2 3.3Å; E394-D399 WeakPolarHBondContact CA-OD2 3.48Å; E394-D399 HydrophobicContact CB-CB 4.08Å; E394-D399 HydrophobicContact CG-CB 4.22Å; E394-F402 HydrophobicContact CB-CE2 4.25Å; E394-F402 HydrophobicContact CB-CZ 4Å
395	K	89.5	Confident	90.7	Very high	143 Å²	143	55.3 Å²	55.3	62%	0.622	32%	0.323	S	S	*	.			trans	-129.6	138.5	178.3	-65.9	-177.2	-178.7	-176.8	0	112.2	V398 D399	K395-V398 HydrophobicContact CB-CB 4.05Å; K395-V398 HydrophobicContact CB-CG2 4.05Å; K395-V398 PolarHBondContact O-N 3.15Å; K395-D399 PolarHBondContact N-OD2 2.97Å; K395-D399 PolarHBondContact O-N 2.87Å
396	N	91.4	Very high	90.7	Very high	105 Å²	105	61.4 Å²	61.4	56%	0.561	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-63.1	135.4	173.6	-166.2	27.5	0	0	0	110.7	V398 Y400 H401 F402	N396-V398 VanDerWaalsContact C-N 3.26Å; N396-V398 PolarHBondContact O-N 3.43Å; N396-Y400 WeakPolarHBondContact CA-O 3.4Å; N396-Y400 PolarHBondContact OD1-O 3.31Å; N396-H401 WeakPolarHBondContact OD1-CA 3.21Å; N396-F402 HydrophobicContact CB-CD2 4.05Å; N396-F402 PolarHBondContact OD1-N 3.2Å
397	G	86.8	Confident	90.7	Very high	31 Å²	31	65.9 Å²	65.9	32%	0.32	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	23.6	-175.4	0	0	0	0	0	114.1	I383 Y400	I383-G397 WeakPolarHBondContact CD1-O 3.31Å; G397-Y400 PolarHBondContact N-O 3Å
398	V	86.1	Confident	90.7	Very high	75 Å²	75	65 Å²	65	46%	0.455	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-45.3	173.8	-174.7	0	0	0	0	111.6	K395 N396	K395-V398 HydrophobicContact CB-CB 4.05Å; K395-V398 HydrophobicContact CB-CG2 4.05Å; K395-V398 PolarHBondContact O-N 3.15Å; N396-V398 VanDerWaalsContact C-N 3.26Å; N396-V398 PolarHBondContact O-N 3.43Å
399	D	87.4	Confident	90.8	Very high	19 Å²	19	69.1 Å²	69.1	10%	0.102	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-50.8	174.7	-68.8	-87.6	0	0	0	111	R369 E394 K395 F402	R369-D399 IonicContact CZ-OD1 2.94Å; R369-D399 VanDerWaalsContact CZ-OD1 3.25Å; R369-D399 IonicContact NH1-OD1 2.7Å; R369-D399 PolarHBondContact NH1-OD1 3.28Å; R369-D399 IonicContact NH2-OD1 2.76Å; R369-D399 PolarHBondContact NH2-OD1 3.18Å; E394-D399 VanDerWaalsContact CA-OD2 3.3Å; E394-D399 WeakPolarHBondContact CA-OD2 3.48Å; E394-D399 HydrophobicContact CB-CB 4.08Å; E394-D399 HydrophobicContact CG-CB 4.22Å; K395-D399 PolarHBondContact N-OD2 2.97Å; K395-D399 PolarHBondContact O-N 2.87Å; D399-F402 HydrophobicContact CB-CE2 4.49Å; D399-F402 HydrophobicContact CB-CZ 4.41Å
400	Y	92.3	Very high	91	Very high	35 Å²	35	69.6 Å²	69.6	14%	0.137	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-148.2	164.9	171.6	-71.1	-92.7	0	0	0	108.9	C384 T386 N396 G397 F402 F428 H448	C384-Y400 HydrophobicContact CB-CD1 3.81Å; C384-Y400 HydrophobicContact CB-CE1 3.84Å; C384-Y400 CarbonylContact O-C 3.53Å; C384-Y400 VanDerWaalsContact O-CA 3.24Å; C384-Y400 WeakPolarHBondContact O-CA 3.24Å; C384-Y400 WeakPolarHBondContact O-CB 3.36Å; C384-Y400 WeakPolarHBondContact O-CD1 3.44Å; T386-Y400 HydrophobicContact CG2-CD1 3.94Å; T386-Y400 HydrophobicContact CG2-CD2 4.47Å; T386-Y400 HydrophobicContact CG2-CG 3.82Å; N396-Y400 WeakPolarHBondContact CA-O 3.4Å; N396-Y400 PolarHBondContact OD1-O 3.31Å; G397-Y400 PolarHBondContact N-O 3Å; Y400-F402 HydrophobicContact CD2-CE1 4.19Å; Y400-F402 HydrophobicContact CD2-CZ 4.1Å; Y400-F402 HydrophobicContact CG-CE1 4.34Å; Y400-F402 HydrophobicContact CG-CZ 4.44Å; Y400-F428 HydrophobicContact CD1-CD1 4.39Å; Y400-F428 AromaticContact CE1-CD1 3.81Å; Y400-F428 HydrophobicContact CE1-CD1 3.81Å; Y400-F428 AromaticContact CE1-CE1 4Å; Y400-F428 HydrophobicContact CE1-CE1 4Å; Y400-H448 AromaticContact CZ-CE1 3.75Å; Y400-H448 PolarHBondContact OH-CE1 3.2Å
401	H	94.3	Very high	91.1	Very high	50 Å²	50	67.6 Å²	67.6	23%	0.231	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.1	154.4	-66.9	-88.9	0	0	0	108.6	I383 C384 H385 T386 N396 V403	I383-H401 VanDerWaalsContact CG2-CD2 3.41Å; I383-H401 WeakPolarHBondContact CG2-CD2 3.26Å; C384-H401 PolarHBondContact O-N 2.93Å; H385-H401 CarbonylContact C-O 3.48Å; H385-H401 VanDerWaalsContact CA-O 3.32Å; H385-H401 WeakPolarHBondContact CA-O 3.37Å; H385-H401 HydrophobicContact CB-CB 4.25Å; H385-H401 AromaticContact CE1-CD2 3.39Å; H385-H401 PolarHBondContact CE1-CD2 3.21Å; H385-H401 AromaticContact CE1-CG 3.58Å; H385-H401 AromaticContact ND1-CD2 3.61Å; H385-H401 AromaticContact ND1-CG 3.85Å; H385-H401 AromaticContact NE2-CG 3.95Å; T386-H401 PolarHBondContact N-O 3.47Å; N396-H401 WeakPolarHBondContact OD1-CA 3.21Å; H401-V403 PolarHBondContact O-N 2.99Å
402	F	95.3	Very high	91.4	Very high	33 Å²	33	66.5 Å²	66.5	15%	0.145	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	106.4	178.8	-61.5	-71.1	0	0	0	108.8	T386 R388 P390 E394 N396 D399 Y400	T386-F402 HydrophobicContact CG2-CD1 3.57Å; T386-F402 HydrophobicContact CG2-CE1 3.76Å; R388-F402 WeakPolarHBondContact O-CD1 3.1Å; P390-F402 HydrophobicContact CB-CD1 4.33Å; P390-F402 HydrophobicContact CB-CD2 4.07Å; P390-F402 HydrophobicContact CB-CE1 4.04Å; P390-F402 HydrophobicContact CB-CE2 3.8Å; P390-F402 HydrophobicContact CB-CG 4.33Å; P390-F402 HydrophobicContact CB-CZ 3.77Å; E394-F402 HydrophobicContact CB-CE2 4.25Å; E394-F402 HydrophobicContact CB-CZ 4Å; N396-F402 HydrophobicContact CB-CD2 4.05Å; N396-F402 PolarHBondContact OD1-N 3.2Å; D399-F402 HydrophobicContact CB-CE2 4.49Å; D399-F402 HydrophobicContact CB-CZ 4.41Å; Y400-F402 HydrophobicContact CD2-CE1 4.19Å; Y400-F402 HydrophobicContact CD2-CZ 4.1Å; Y400-F402 HydrophobicContact CG-CE1 4.34Å; Y400-F402 HydrophobicContact CG-CZ 4.44Å
403	V	95.3	Very high	92	Very high	21 Å²	21	66 Å²	66	13%	0.127	36%	0.358	C	S	.	.			trans	-118.4	159.7	-173	-67.3	0	0	0	0	110.9	T386 H401 E407 F408	T386-V403 PolarHBondContact O-N 2.99Å; H401-V403 PolarHBondContact O-N 2.99Å; V403-E407 WeakPolarHBondContact CA-OE2 3.36Å; V403-E407 HydrophobicContact CB-CB 4.25Å; V403-E407 HydrophobicContact CB-CG 4Å; V403-E407 WeakPolarHBondContact CB-OE2 3.47Å; V403-E407 HydrophobicContact CG1-CG 4.14Å; V403-F408 HydrophobicContact CG2-CB 4.03Å; V403-F408 HydrophobicContact CG2-CD2 3.91Å; V403-F408 HydrophobicContact CG2-CG 4.48Å
404	S	95.8	Very high	92.4	Very high	59 Å²	59	68.2 Å²	68.2	41%	0.413	35%	0.353	S	S	.	.			trans	-71.1	163.4	170.1	71.2	0	0	0	0	111.5	E407 F408	S404-E407 PolarHBondContact N-OE2 2.81Å; S404-E407 PolarHBondContact O-N 3.28Å; S404-E407 WeakPolarHBondContact OG-CB 3.13Å; S404-E407 PolarHBondContact OG-N 2.96Å; S404-F408 WeakPolarHBondContact O-CB 3.4Å; S404-F408 PolarHBondContact O-N 2.89Å
405	E	94	Very high	92.6	Very high	114 Å²	114	66.6 Å²	66.6	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-66.6	-38.5	175.8	-168	173.4	166.2	0	0	112	T387 F408 Q409 L427	T387-E405 HydrophobicContact CG2-CB 4.22Å; T387-E405 HydrophobicContact CG2-CG 4.46Å; E405-F408 PolarHBondContact O-N 3.08Å; E405-Q409 WeakPolarHBondContact O-CB 3.48Å; E405-Q409 VanDerWaalsContact O-CG 3.3Å; E405-Q409 WeakPolarHBondContact O-CG 3.49Å; E405-Q409 PolarHBondContact O-N 2.93Å; E405-L427 HydrophobicContact CG-CD1 4.35Å
406	E	94.5	Very high	92.7	Very high	150 Å²	150	63.4 Å²	63.4	70%	0.701	33%	0.332	S	S	*	.	H	α-helix	trans	-59.9	-45	171.9	-61.5	175.8	179.7	0	0	111.5	Q409 N410	E406-Q409 PolarHBondContact O-N 2.83Å; E406-N410 WeakPolarHBondContact O-CB 3.4Å; E406-N410 VanDerWaalsContact O-CG 3.27Å; E406-N410 PolarHBondContact O-N 2.95Å; E406-N410 PolarHBondContact O-ND2 3.45Å
407	E	94.5	Very high	92.8	Very high	94 Å²	94	58.4 Å²	58.4	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-39.8	176.7	-178	177.6	-159.7	0	0	112	V403 S404 N410 L411	V403-E407 WeakPolarHBondContact CA-OE2 3.36Å; V403-E407 HydrophobicContact CB-CB 4.25Å; V403-E407 HydrophobicContact CB-CG 4Å; V403-E407 WeakPolarHBondContact CB-OE2 3.47Å; V403-E407 HydrophobicContact CG1-CG 4.14Å; S404-E407 PolarHBondContact N-OE2 2.81Å; S404-E407 PolarHBondContact O-N 3.28Å; S404-E407 WeakPolarHBondContact OG-CB 3.13Å; S404-E407 PolarHBondContact OG-N 2.96Å; E407-N410 PolarHBondContact O-N 3.22Å; E407-L411 HydrophobicContact CG-CD1 4.48Å; E407-L411 WeakPolarHBondContact O-CG 3.37Å; E407-L411 PolarHBondContact O-N 3.44Å
408	F	95.8	Very high	93	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-47	174	-166.9	-78.1	0	0	0	111.2	H385 T387 V403 S404 E405 N410 L411 V412 F417 T420 L427	H385-F408 HydrophobicContact CB-CE2 4.39Å; T387-F408 HydrophobicContact CG2-CB 3.65Å; T387-F408 HydrophobicContact CG2-CD2 4.01Å; T387-F408 HydrophobicContact CG2-CG 3.93Å; V403-F408 HydrophobicContact CG2-CB 4.03Å; V403-F408 HydrophobicContact CG2-CD2 3.91Å; V403-F408 HydrophobicContact CG2-CG 4.48Å; S404-F408 WeakPolarHBondContact O-CB 3.4Å; S404-F408 PolarHBondContact O-N 2.89Å; E405-F408 PolarHBondContact O-N 3.08Å; F408-N410 PolarHBondContact O-N 3.25Å; F408-L411 PolarHBondContact O-N 3.08Å; F408-V412 HydrophobicContact CD1-CG2 4.07Å; F408-V412 HydrophobicContact CE1-CG2 3.92Å; F408-V412 WeakPolarHBondContact O-CG2 3.14Å; F408-V412 PolarHBondContact O-N 2.97Å; F408-F417 HydrophobicContact CD1-CE2 4.16Å; F408-F417 HydrophobicContact CD1-CZ 4.47Å; F408-F417 HydrophobicContact CD2-CE2 4.26Å; F408-F417 AromaticContact CD2-CZ 3.8Å; F408-F417 HydrophobicContact CD2-CZ 3.8Å; F408-F417 AromaticContact CE1-CE2 3.96Å; F408-F417 HydrophobicContact CE1-CE2 3.96Å; F408-F417 HydrophobicContact CE1-CZ 4.2Å; F408-F417 HydrophobicContact CE2-CE1 4.05Å; F408-F417 HydrophobicContact CE2-CE2 4.08Å; F408-F417 AromaticContact CE2-CZ 3.48Å; F408-F417 HydrophobicContact CE2-CZ 3.48Å; F408-F417 VanDerWaalsContact CE2-CZ 3.48Å; F408-F417 HydrophobicContact CG-CE2 4.29Å; F408-F417 HydrophobicContact CG-CZ 4.28Å; F408-F417 HydrophobicContact CZ-CE1 4.19Å; F408-F417 AromaticContact CZ-CE2 3.91Å; F408-F417 HydrophobicContact CZ-CE2 3.91Å; F408-F417 AromaticContact CZ-CZ 3.7Å; F408-F417 HydrophobicContact CZ-CZ 3.7Å; F408-T420 HydrophobicContact CE1-CG2 4.01Å; F408-T420 HydrophobicContact CZ-CG2 4.14Å; F408-L427 HydrophobicContact CD1-CB 4.06Å; F408-L427 HydrophobicContact CD1-CD1 3.71Å; F408-L427 HydrophobicContact CD2-CB 4.36Å; F408-L427 HydrophobicContact CE1-CB 3.86Å; F408-L427 HydrophobicContact CE1-CD1 4.01Å; F408-L427 HydrophobicContact CE2-CB 4.16Å; F408-L427 HydrophobicContact CG-CB 4.33Å; F408-L427 HydrophobicContact CG-CD1 4.35Å; F408-L427 HydrophobicContact CZ-CB 3.91Å
409	Q	93.6	Very high	93.4	Very high	102 Å²	102	53.7 Å²	53.7	48%	0.477	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-41.3	176.3	-70.7	175.6	15.3	0	0	111.7	E405 E406 L411 V412 V413	E405-Q409 WeakPolarHBondContact O-CB 3.48Å; E405-Q409 VanDerWaalsContact O-CG 3.3Å; E405-Q409 WeakPolarHBondContact O-CG 3.49Å; E405-Q409 PolarHBondContact O-N 2.93Å; E406-Q409 PolarHBondContact O-N 2.83Å; Q409-L411 PolarHBondContact O-N 3.15Å; Q409-V412 WeakPolarHBondContact O-CB 3.46Å; Q409-V412 PolarHBondContact O-N 3.1Å; Q409-V413 WeakPolarHBondContact O-CG2 3.46Å; Q409-V413 PolarHBondContact O-N 2.89Å
410	N	94.2	Very high	93.7	Very high	98 Å²	98	54 Å²	54	52%	0.524	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-43.9	172.7	-76.5	-49	0	0	0	111.8	E406 E407 F408 V412 V413 M414	E406-N410 WeakPolarHBondContact O-CB 3.4Å; E406-N410 VanDerWaalsContact O-CG 3.27Å; E406-N410 PolarHBondContact O-N 2.95Å; E406-N410 PolarHBondContact O-ND2 3.45Å; E407-N410 PolarHBondContact O-N 3.22Å; F408-N410 PolarHBondContact O-N 3.25Å; N410-V412 VanDerWaalsContact C-N 3.31Å; N410-V412 PolarHBondContact O-N 3Å; N410-V413 PolarHBondContact O-N 3.23Å; N410-M414 VanDerWaalsContact O-CB 3.29Å; N410-M414 WeakPolarHBondContact O-CB 3.45Å; N410-M414 WeakPolarHBondContact O-CG 3.48Å; N410-M414 PolarHBondContact O-N 3.34Å
411	L	94.1	Very high	93.7	Very high	34 Å²	34	53.1 Å²	53.1	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-30	176.2	-72	170.7	0	0	0	113.4	E407 F408 Q409 G415 K416 F417	E407-L411 HydrophobicContact CG-CD1 4.48Å; E407-L411 WeakPolarHBondContact O-CG 3.37Å; E407-L411 PolarHBondContact O-N 3.44Å; F408-L411 PolarHBondContact O-N 3.08Å; Q409-L411 PolarHBondContact O-N 3.15Å; L411-G415 PolarHBondContact O-N 3.02Å; L411-K416 HydrophobicContact CB-CB 4.48Å; L411-K416 HydrophobicContact CD2-CB 4.11Å; L411-K416 HydrophobicContact CD2-CG 3.94Å; L411-K416 PolarHBondContact O-N 3.37Å; L411-F417 HydrophobicContact CB-CD2 4.16Å; L411-F417 HydrophobicContact CB-CE2 3.47Å; L411-F417 VanDerWaalsContact CB-CE2 3.47Å; L411-F417 HydrophobicContact CB-CZ 4.07Å; L411-F417 HydrophobicContact CD1-CZ 4.35Å
412	V	93.1	Very high	93.5	Very high	17 Å²	17	57 Å²	57	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-54.4	169.8	176.2	0	0	0	0	110.7	M327 F408 Q409 N410 M414 G415 F417 T420	M327-V412 HydrophobicContact CE-CG1 4.01Å; M327-V412 HydrophobicContact SD-CG1 4.27Å; F408-V412 HydrophobicContact CD1-CG2 4.07Å; F408-V412 HydrophobicContact CE1-CG2 3.92Å; F408-V412 WeakPolarHBondContact O-CG2 3.14Å; F408-V412 PolarHBondContact O-N 2.97Å; Q409-V412 WeakPolarHBondContact O-CB 3.46Å; Q409-V412 PolarHBondContact O-N 3.1Å; N410-V412 VanDerWaalsContact C-N 3.31Å; N410-V412 PolarHBondContact O-N 3Å; V412-M414 VanDerWaalsContact C-N 3.27Å; V412-M414 PolarHBondContact O-N 3.08Å; V412-G415 WeakPolarHBondContact O-CA 3.38Å; V412-G415 PolarHBondContact O-N 3.04Å; V412-F417 HydrophobicContact CB-CD2 4.35Å; V412-F417 HydrophobicContact CG2-CD2 3.55Å; V412-F417 HydrophobicContact CG2-CE2 3.84Å; V412-T420 HydrophobicContact CG2-CG2 3.85Å
413	V	92.2	Very high	93.2	Very high	99 Å²	99	56.3 Å²	56.3	60%	0.6	29%	0.285	S	S	*	.	H	α-helix	trans	-60.8	-37.5	-178.4	174.2	0	0	0	0	111.6	H331 Q409 N410 G415	H331-V413 PolarHBondContact ND1-O 3.23Å; Q409-V413 WeakPolarHBondContact O-CG2 3.46Å; Q409-V413 PolarHBondContact O-N 2.89Å; N410-V413 PolarHBondContact O-N 3.23Å; V413-G415 PolarHBondContact O-N 3.4Å
414	M	91.5	Very high	92.7	Very high	113 Å²	113	57.5 Å²	57.5	56%	0.557	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.4	172.7	-71.6	177.2	76.6	0	0	113.9	Q335 N410 V412 K416	Q335-M414 WeakPolarHBondContact CG-O 3.48Å; Q335-M414 PolarHBondContact NE2-O 3.03Å; N410-M414 VanDerWaalsContact O-CB 3.29Å; N410-M414 WeakPolarHBondContact O-CB 3.45Å; N410-M414 WeakPolarHBondContact O-CG 3.48Å; N410-M414 PolarHBondContact O-N 3.34Å; V412-M414 VanDerWaalsContact C-N 3.27Å; V412-M414 PolarHBondContact O-N 3.08Å; M414-K416 HydrophobicContact CB-CG 4.14Å
415	G	92.2	Very high	92.3	Very high	3 Å²	3	59.3 Å²	59.3	3%	0.031	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	30.7	-179.9	0	0	0	0	0	115.1	H331 Q332 Q335 L411 V412 V413	H331-G415 VanDerWaalsContact CB-CA 3.48Å; Q332-G415 WeakPolarHBondContact CG-O 3.37Å; Q335-G415 PolarHBondContact NE2-O 3.33Å; L411-G415 PolarHBondContact O-N 3.02Å; V412-G415 WeakPolarHBondContact O-CA 3.38Å; V412-G415 PolarHBondContact O-N 3.04Å; V413-G415 PolarHBondContact O-N 3.4Å
416	K	92.1	Very high	92.2	Very high	77 Å²	77	55.9 Å²	55.9	34%	0.335	30%	0.298	S	S	.	.			trans	-82.8	-21.5	-178.2	-62.9	-67.5	166.6	-160.8	0	113.3	Q335 L411 M414 T431 R432	Q335-K416 VanDerWaalsContact CD-NZ 3.27Å; Q335-K416 VanDerWaalsContact NE2-CE 3.27Å; Q335-K416 VanDerWaalsContact NE2-NZ 3.17Å; L411-K416 HydrophobicContact CB-CB 4.48Å; L411-K416 HydrophobicContact CD2-CB 4.11Å; L411-K416 HydrophobicContact CD2-CG 3.94Å; L411-K416 PolarHBondContact O-N 3.37Å; M414-K416 HydrophobicContact CB-CG 4.14Å; K416-T431 HydrophobicContact CB-CG2 4.41Å; K416-T431 CarbonylContact O-C 3.59Å; K416-T431 WeakPolarHBondContact O-CA 3.48Å; K416-T431 WeakPolarHBondContact O-CB 3.41Å; K416-R432 PolarHBondContact O-N 2.98Å
417	F	94.1	Very high	92.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	147	178.3	-69.3	-67	0	0	0	113.5	N328 Q332 H385 F408 L411 V412 T420 T431	N328-F417 WeakPolarHBondContact OD1-CB 3.41Å; Q332-F417 PolarHBondContact NE2-O 3.44Å; H385-F417 HydrophobicContact CB-CE1 3.96Å; H385-F417 HydrophobicContact CB-CZ 4.11Å; F408-F417 HydrophobicContact CD1-CE2 4.16Å; F408-F417 HydrophobicContact CD1-CZ 4.47Å; F408-F417 HydrophobicContact CD2-CE2 4.26Å; F408-F417 AromaticContact CD2-CZ 3.8Å; F408-F417 HydrophobicContact CD2-CZ 3.8Å; F408-F417 AromaticContact CE1-CE2 3.96Å; F408-F417 HydrophobicContact CE1-CE2 3.96Å; F408-F417 HydrophobicContact CE1-CZ 4.2Å; F408-F417 HydrophobicContact CE2-CE1 4.05Å; F408-F417 HydrophobicContact CE2-CE2 4.08Å; F408-F417 AromaticContact CE2-CZ 3.48Å; F408-F417 HydrophobicContact CE2-CZ 3.48Å; F408-F417 VanDerWaalsContact CE2-CZ 3.48Å; F408-F417 HydrophobicContact CG-CE2 4.29Å; F408-F417 HydrophobicContact CG-CZ 4.28Å; F408-F417 HydrophobicContact CZ-CE1 4.19Å; F408-F417 AromaticContact CZ-CE2 3.91Å; F408-F417 HydrophobicContact CZ-CE2 3.91Å; F408-F417 AromaticContact CZ-CZ 3.7Å; F408-F417 HydrophobicContact CZ-CZ 3.7Å; L411-F417 HydrophobicContact CB-CD2 4.16Å; L411-F417 HydrophobicContact CB-CE2 3.47Å; L411-F417 VanDerWaalsContact CB-CE2 3.47Å; L411-F417 HydrophobicContact CB-CZ 4.07Å; L411-F417 HydrophobicContact CD1-CZ 4.35Å; V412-F417 HydrophobicContact CB-CD2 4.35Å; V412-F417 HydrophobicContact CG2-CD2 3.55Å; V412-F417 HydrophobicContact CG2-CE2 3.84Å; F417-T420 HydrophobicContact CB-CG2 3.98Å; F417-T420 HydrophobicContact CD2-CG2 4.03Å; F417-T420 HydrophobicContact CG-CG2 3.95Å; F417-T431 HydrophobicContact CD1-CG2 3.66Å; F417-T431 HydrophobicContact CE1-CG2 3.49Å; F417-T431 VanDerWaalsContact CE1-CG2 3.49Å; F417-T431 HydrophobicContact CG-CG2 4.43Å; F417-T431 HydrophobicContact CZ-CG2 4.17Å
418	I	91.4	Very high	92.2	Very high	6 Å²	6	47 Å²	47	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-36.2	166	-71	163.5	0	0	0	110.6	L430 R432 I435 F462	I418-L430 PolarHBondContact N-O 2.95Å; I418-R432 HydrophobicContact CD1-CB 3.8Å; I418-R432 HydrophobicContact CD1-CG 4.08Å; I418-R432 HydrophobicContact CG1-CB 4.01Å; I418-I435 HydrophobicContact CD1-CD1 3.36Å; I418-I435 HydrophobicContact CD1-CG1 4.35Å; I418-F462 HydrophobicContact CD1-CE2 3.84Å; I418-F462 HydrophobicContact CD1-CZ 4.48Å
419	L	93.6	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.7	174.5	64.3	93.7	0	0	0	109.6	D324 N328 M421 G429 L430 S456 L457	D324-L419 VanDerWaalsContact OD2-CA 3.31Å; D324-L419 WeakPolarHBondContact OD2-CA 3.49Å; N328-L419 WeakPolarHBondContact ND2-CA 3.42Å; L419-M421 HydrophobicContact CD1-CE 3.53Å; L419-G429 WeakPolarHBondContact O-CA 3.38Å; L419-L430 HydrophobicContact CD1-CB 4.26Å; L419-L430 HydrophobicContact CD2-CB 4.25Å; L419-L430 HydrophobicContact CD2-CD2 4.28Å; L419-L430 HydrophobicContact CG-CB 3.97Å; L419-L430 PolarHBondContact O-N 2.82Å; L419-S456 VanDerWaalsContact CB-OG 3.28Å; L419-S456 WeakPolarHBondContact CB-OG 3.26Å; L419-L457 HydrophobicContact CD2-CB 3.67Å; L419-L457 HydrophobicContact CD2-CD1 3.83Å; L419-L457 HydrophobicContact CD2-CG 4.22Å
420	T	94.1	Very high	92.2	Very high	27 Å²	27	42.1 Å²	42.1	17%	0.166	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.3	163	74.5	0	0	0	0	109.8	D324 M327 F408 V412 F417 F428	D324-T420 VanDerWaalsContact CG-N 3.33Å; D324-T420 VanDerWaalsContact CG-O 3.23Å; D324-T420 WeakPolarHBondContact OD1-CA 3.43Å; D324-T420 WeakPolarHBondContact OD1-CB 3.39Å; D324-T420 PolarHBondContact OD1-N 3.02Å; D324-T420 PolarHBondContact OD1-OG1 3.29Å; D324-T420 PolarHBondContact OD2-N 2.83Å; M327-T420 HydrophobicContact CE-CG2 4.45Å; F408-T420 HydrophobicContact CE1-CG2 4.01Å; F408-T420 HydrophobicContact CZ-CG2 4.14Å; V412-T420 HydrophobicContact CG2-CG2 3.85Å; F417-T420 HydrophobicContact CB-CG2 3.98Å; F417-T420 HydrophobicContact CD2-CG2 4.03Å; F417-T420 HydrophobicContact CG-CG2 3.95Å; T420-F428 CarbonylContact C-O 3.4Å; T420-F428 WeakPolarHBondContact CA-O 3.39Å
421	M	92.7	Very high	92.2	Very high	16 Å²	16	38 Å²	38	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142	173	72.9	-167.7	94.1	0	0	109.3	L419 F428 M449 E452	L419-M421 HydrophobicContact CD1-CE 3.53Å; M421-F428 HydrophobicContact CE-CB 4.28Å; M421-F428 HydrophobicContact CG-CB 3.75Å; M421-F428 PolarHBondContact N-O 3.1Å; M421-F428 PolarHBondContact O-N 2.84Å; M421-F428 HydrophobicContact SD-CB 4.28Å; M421-M449 HydrophobicContact CE-CB 3.99Å; M421-M449 HydrophobicContact SD-CB 4.43Å; M421-E452 HydrophobicContact CB-CB 4.09Å
422	Q	90.5	Very high	91.9	Very high	131 Å²	131	38.4 Å²	38.4	61%	0.612	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.2	166.2	-176.1	176.4	-10.6	0	0	108.8	G424 L427	Q422-G424 PolarHBondContact NE2-O 3.46Å; Q422-G424 VanDerWaalsContact NE2-O 3.07Å; Q422-L427 HydrophobicContact CB-CD2 3.96Å; Q422-L427 HydrophobicContact CG-CD2 4.14Å
423	Y	87.6	Confident	91.7	Very high	19 Å²	19	39.2 Å²	39.2	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	111.6	172.4	174.9	-92.6	0	0	0	109.1	E360 S425 H426 F428 E450	E360-Y423 VanDerWaalsContact CB-OH 3.27Å; E360-Y423 WeakPolarHBondContact CB-OH 3.28Å; E360-Y423 VanDerWaalsContact OE2-CE1 3.24Å; E360-Y423 WeakPolarHBondContact OE2-CE1 3.4Å; E360-Y423 PolarHBondContact OE2-OH 3.44Å; Y423-S425 PolarHBondContact O-N 3.08Å; Y423-H426 PolarHBondContact N-O 3.09Å; Y423-H426 PolarHBondContact O-N 2.92Å; Y423-F428 HydrophobicContact CD1-CE2 4.25Å; Y423-E450 HydrophobicContact CD2-CB 4.2Å; Y423-E450 HydrophobicContact CD2-CG 3.66Å; Y423-E450 HydrophobicContact CE2-CG 3.87Å; Y423-E450 HydrophobicContact CG-CG 4.08Å
424	G	85.1	Confident	91.7	Very high	46 Å²	46	34.7 Å²	34.7	47%	0.474	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-127.4	-168.8	0	0	0	0	0	111.8	Q422 H426	Q422-G424 PolarHBondContact NE2-O 3.46Å; Q422-G424 VanDerWaalsContact NE2-O 3.07Å; G424-H426 VanDerWaalsContact C-N 3.34Å
425	S	87.2	Confident	91.6	Very high	96 Å²	96	29.3 Å²	29.3	67%	0.671	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	11.3	179.2	55	0	0	0	0	114.5	Y423	Y423-S425 PolarHBondContact O-N 3.08Å
426	H	92.3	Very high	91.5	Very high	43 Å²	43	30.5 Å²	30.5	20%	0.199	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.1	-173.3	-60.2	-55.7	0	0	0	112.6	R388 Y423 G424 F428	R388-H426 HydrophobicContact CB-CB 4.03Å; Y423-H426 PolarHBondContact N-O 3.09Å; Y423-H426 PolarHBondContact O-N 2.92Å; G424-H426 VanDerWaalsContact C-N 3.34Å; H426-F428 HydrophobicContact CB-CE2 3.89Å; H426-F428 HydrophobicContact CB-CZ 4.47Å
427	L	94.1	Very high	91.3	Very high	36 Å²	36	32.3 Å²	32.3	19%	0.188	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	146.1	173.9	-58.1	177.3	0	0	0	109.7	T386 T387 E405 F408 Q422	T386-L427 WeakPolarHBondContact CA-O 3.25Å; T386-L427 PolarHBondContact OG1-O 3.26Å; T387-L427 HydrophobicContact CG2-CB 4.07Å; T387-L427 PolarHBondContact N-O 3.16Å; T387-L427 PolarHBondContact OG1-N 3.23Å; E405-L427 HydrophobicContact CG-CD1 4.35Å; F408-L427 HydrophobicContact CD1-CB 4.06Å; F408-L427 HydrophobicContact CD1-CD1 3.71Å; F408-L427 HydrophobicContact CD2-CB 4.36Å; F408-L427 HydrophobicContact CE1-CB 3.86Å; F408-L427 HydrophobicContact CE1-CD1 4.01Å; F408-L427 HydrophobicContact CE2-CB 4.16Å; F408-L427 HydrophobicContact CG-CB 4.33Å; F408-L427 HydrophobicContact CG-CD1 4.35Å; F408-L427 HydrophobicContact CZ-CB 3.91Å; Q422-L427 HydrophobicContact CB-CD2 3.96Å; Q422-L427 HydrophobicContact CG-CD2 4.14Å
428	F	94.8	Very high	91	Very high	22 Å²	22	32.8 Å²	32.8	10%	0.096	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.9	173.7	-63.6	-101.3	0	0	0	108.7	H385 T386 R388 Y400 T420 M421 Y423 H426	H385-F428 CarbonylContact O-C 3.45Å; H385-F428 VanDerWaalsContact O-CA 3.29Å; H385-F428 WeakPolarHBondContact O-CA 3.49Å; T386-F428 HydrophobicContact CG2-CD1 4.49Å; T386-F428 HydrophobicContact CG2-CE1 4.29Å; T386-F428 VanDerWaalsContact OG1-CD1 3.29Å; T386-F428 WeakPolarHBondContact OG1-CD1 3.27Å; T386-F428 WeakPolarHBondContact OG1-CE1 3.43Å; T386-F428 WeakPolarHBondContact OG1-CZ 3.4Å; R388-F428 HydrophobicContact CB-CZ 4.31Å; Y400-F428 HydrophobicContact CD1-CD1 4.39Å; Y400-F428 AromaticContact CE1-CD1 3.81Å; Y400-F428 HydrophobicContact CE1-CD1 3.81Å; Y400-F428 AromaticContact CE1-CE1 4Å; Y400-F428 HydrophobicContact CE1-CE1 4Å; T420-F428 CarbonylContact C-O 3.4Å; T420-F428 WeakPolarHBondContact CA-O 3.39Å; M421-F428 HydrophobicContact CE-CB 4.28Å; M421-F428 HydrophobicContact CG-CB 3.75Å; M421-F428 PolarHBondContact N-O 3.1Å; M421-F428 PolarHBondContact O-N 2.84Å; M421-F428 HydrophobicContact SD-CB 4.28Å; Y423-F428 HydrophobicContact CD1-CE2 4.25Å; H426-F428 HydrophobicContact CB-CE2 3.89Å; H426-F428 HydrophobicContact CB-CZ 4.47Å
429	G	94.8	Very high	90.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	152.6	180	0	0	0	0	0	113.2	H385 L419	H385-G429 PolarHBondContact N-O 3.5Å; H385-G429 PolarHBondContact O-N 2.8Å; L419-G429 WeakPolarHBondContact O-CA 3.38Å
430	L	94.5	Very high	90.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.9	175.1	-179.9	66.2	0	0	0	108.8	I418 L419 A434 I435 L447 L457	I418-L430 PolarHBondContact N-O 2.95Å; L419-L430 HydrophobicContact CD1-CB 4.26Å; L419-L430 HydrophobicContact CD2-CB 4.25Å; L419-L430 HydrophobicContact CD2-CD2 4.28Å; L419-L430 HydrophobicContact CG-CB 3.97Å; L419-L430 PolarHBondContact O-N 2.82Å; L430-A434 HydrophobicContact CD1-CB 4.28Å; L430-I435 HydrophobicContact CD1-CG1 4.22Å; L430-I435 HydrophobicContact CD2-CD1 3.84Å; L430-I435 HydrophobicContact CD2-CG1 4.15Å; L430-I435 HydrophobicContact CG-CD1 4.26Å; L430-I435 HydrophobicContact CG-CG1 4.21Å; L430-L447 HydrophobicContact CD1-CD1 4.19Å; L430-L447 HydrophobicContact CD1-CD2 3.8Å; L430-L447 HydrophobicContact CD2-CD1 3.58Å; L430-L457 HydrophobicContact CD2-CD1 4.45Å
431	T	93.6	Very high	89.8	Confident	12 Å²	12	43.7 Å²	43.7	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	151.9	175.8	60.8	0	0	0	0	111	K416 F417 G433 A434	K416-T431 HydrophobicContact CB-CG2 4.41Å; K416-T431 CarbonylContact O-C 3.59Å; K416-T431 WeakPolarHBondContact O-CA 3.48Å; K416-T431 WeakPolarHBondContact O-CB 3.41Å; F417-T431 HydrophobicContact CD1-CG2 3.66Å; F417-T431 HydrophobicContact CE1-CG2 3.49Å; F417-T431 VanDerWaalsContact CE1-CG2 3.49Å; F417-T431 HydrophobicContact CG-CG2 4.43Å; F417-T431 HydrophobicContact CZ-CG2 4.17Å; T431-G433 PolarHBondContact O-N 3.24Å; T431-A434 PolarHBondContact O-N 3.06Å; T431-A434 WeakPolarHBondContact OG1-CB 3.45Å; T431-A434 PolarHBondContact OG1-N 2.83Å
432	R	89.1	Confident	89.1	Confident	42 Å²	42	45.5 Å²	45.5	16%	0.158	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-33.5	172.3	-171.6	177.3	-78	-102.5	8.2	111.5	Y340 T343 K416 I418 A434 I435 E436	Y340-R432 HydrophobicContact CD1-CG 4.4Å; Y340-R432 HydrophobicContact CE1-CG 4.29Å; Y340-R432 VanDerWaalsContact CE2-CD 3.41Å; T343-R432 PolarHBondContact OG1-NH1 3.49Å; K416-R432 PolarHBondContact O-N 2.98Å; I418-R432 HydrophobicContact CD1-CB 3.8Å; I418-R432 HydrophobicContact CD1-CG 4.08Å; I418-R432 HydrophobicContact CG1-CB 4.01Å; R432-A434 PolarHBondContact O-N 3.12Å; R432-I435 PolarHBondContact O-N 2.98Å; R432-E436 VanDerWaalsContact O-CB 3.32Å; R432-E436 WeakPolarHBondContact O-CB 3.45Å; R432-E436 PolarHBondContact O-N 3.38Å
433	G	88.9	Confident	88.8	Confident	34 Å²	34	40.3 Å²	40.3	35%	0.351	24%	0.24	S	C	.	.	H	α-helix	trans	-57.3	-45.8	174.1	0	0	0	0	0	113.3	T431 I435 E436 E437	T431-G433 PolarHBondContact O-N 3.24Å; G433-I435 PolarHBondContact O-N 3.16Å; G433-E436 PolarHBondContact O-N 3.14Å; G433-E437 WeakPolarHBondContact O-CG 3.29Å; G433-E437 PolarHBondContact O-N 2.81Å
434	A	91.1	Very high	88.7	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-22	-179.3	0	0	0	0	0	114.5	G382 I383 L430 T431 R432	G382-A434 WeakPolarHBondContact CA-O 3.22Å; I383-A434 WeakPolarHBondContact O-CB 3.19Å; L430-A434 HydrophobicContact CD1-CB 4.28Å; T431-A434 PolarHBondContact O-N 3.06Å; T431-A434 WeakPolarHBondContact OG1-CB 3.45Å; T431-A434 PolarHBondContact OG1-N 2.83Å; R432-A434 PolarHBondContact O-N 3.12Å
435	I	90.2	Very high	89	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-84.8	-44.1	170.3	-50.4	179	0	0	0	109.9	Y351 M353 I418 L430 R432 G433 E437 V438 A439 F462	Y351-I435 HydrophobicContact CD1-CG2 4.03Å; Y351-I435 HydrophobicContact CE1-CG2 3.62Å; M353-I435 HydrophobicContact CE-CD1 3.8Å; M353-I435 HydrophobicContact CE-CG1 4.42Å; M353-I435 HydrophobicContact CE-CG2 4.1Å; I418-I435 HydrophobicContact CD1-CD1 3.36Å; I418-I435 HydrophobicContact CD1-CG1 4.35Å; L430-I435 HydrophobicContact CD1-CG1 4.22Å; L430-I435 HydrophobicContact CD2-CD1 3.84Å; L430-I435 HydrophobicContact CD2-CG1 4.15Å; L430-I435 HydrophobicContact CG-CD1 4.26Å; L430-I435 HydrophobicContact CG-CG1 4.21Å; R432-I435 PolarHBondContact O-N 2.98Å; G433-I435 PolarHBondContact O-N 3.16Å; I435-E437 PolarHBondContact O-N 3.37Å; I435-V438 PolarHBondContact O-N 2.88Å; I435-V438 VanDerWaalsContact O-N 3.12Å; I435-A439 PolarHBondContact O-N 3.11Å; I435-F462 HydrophobicContact CD1-CD2 4.44Å; I435-F462 HydrophobicContact CD1-CE2 4.02Å; I435-F462 HydrophobicContact CD1-CZ 4.05Å; I435-F462 HydrophobicContact CG2-CE1 4.39Å
436	E	88.8	Confident	89.2	Confident	27 Å²	27	33.2 Å²	33.2	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-35.5	-175.2	-168.8	66	-179.8	0	0	112.8	Y340 Q341 S342 R432 G433 V438 A439 N440	Y340-E436 WeakPolarHBondContact CA-OE1 3.47Å; Y340-E436 HydrophobicContact CD1-CG 4.25Å; Q341-E436 PolarHBondContact N-OE1 2.95Å; Q341-E436 PolarHBondContact N-OE2 3.38Å; S342-E436 WeakPolarHBondContact CB-OE2 3.26Å; S342-E436 PolarHBondContact N-OE2 3.35Å; S342-E436 PolarHBondContact OG-OE2 2.93Å; R432-E436 VanDerWaalsContact O-CB 3.32Å; R432-E436 WeakPolarHBondContact O-CB 3.45Å; R432-E436 PolarHBondContact O-N 3.38Å; G433-E436 PolarHBondContact O-N 3.14Å; E436-V438 VanDerWaalsContact C-N 3.27Å; E436-V438 PolarHBondContact O-N 3.49Å; E436-A439 PolarHBondContact O-N 2.76Å; E436-N440 WeakPolarHBondContact O-CB 3.5Å; E436-N440 PolarHBondContact O-N 2.96Å; E436-N440 PolarHBondContact O-ND2 3Å
437	E	88.4	Confident	89.3	Confident	115 Å²	115	31.2 Å²	31.2	54%	0.537	18%	0.177	S	C	.	.	H	α-helix	trans	-56.9	-41.1	170.8	-77.1	171.9	-155.4	0	0	111.7	G433 I435 H441	G433-E437 WeakPolarHBondContact O-CG 3.29Å; G433-E437 PolarHBondContact O-N 2.81Å; I435-E437 PolarHBondContact O-N 3.37Å; E437-H441 PolarHBondContact O-ND1 3.49Å
438	V	87.9	Confident	89.3	Confident	11 Å²	11	30.4 Å²	30.4	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-74.3	-42	176.9	-173.1	0	0	0	0	111.2	I435 E436 N440 H441 V443 C445	I435-V438 PolarHBondContact O-N 2.88Å; I435-V438 VanDerWaalsContact O-N 3.12Å; E436-V438 VanDerWaalsContact C-N 3.27Å; E436-V438 PolarHBondContact O-N 3.49Å; V438-N440 VanDerWaalsContact C-N 3.29Å; V438-N440 PolarHBondContact O-N 3.06Å; V438-H441 PolarHBondContact O-N 3.46Å; V438-V443 HydrophobicContact CG1-CG2 3.49Å; V438-V443 VanDerWaalsContact CG1-CG2 3.49Å; V438-C445 HydrophobicContact CB-CB 4.34Å; V438-C445 HydrophobicContact CG1-CB 4.11Å
439	A	85.7	Confident	89.1	Confident	2 Å²	2	29.7 Å²	29.7	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-34.9	179	0	0	0	0	0	112.7	Q341 Y351 I435 E436 H441 G442	Q341-A439 HydrophobicContact CB-CB 4.21Å; Q341-A439 HydrophobicContact CG-CB 4.25Å; Y351-A439 HydrophobicContact CD2-CB 4.3Å; Y351-A439 HydrophobicContact CE1-CB 4.41Å; Y351-A439 HydrophobicContact CE2-CB 3.6Å; Y351-A439 VanDerWaalsContact OH-CA 3.31Å; Y351-A439 WeakPolarHBondContact OH-CA 3.49Å; Y351-A439 PolarHBondContact OH-N 3.34Å; I435-A439 PolarHBondContact O-N 3.11Å; E436-A439 PolarHBondContact O-N 2.76Å; A439-H441 PolarHBondContact O-N 3.14Å; A439-G442 PolarHBondContact O-N 3.04Å
440	N	85	Confident	89	Confident	106 Å²	106	30.6 Å²	30.6	57%	0.567	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.7	175.1	-82.5	-57.2	0	0	0	113.9	E436 V438 G442	E436-N440 WeakPolarHBondContact O-CB 3.5Å; E436-N440 PolarHBondContact O-N 2.96Å; E436-N440 PolarHBondContact O-ND2 3Å; V438-N440 VanDerWaalsContact C-N 3.29Å; V438-N440 PolarHBondContact O-N 3.06Å; N440-G442 VanDerWaalsContact C-N 3.34Å
441	H	82.9	Confident	88.9	Confident	154 Å²	154	30.5 Å²	30.5	71%	0.713	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-9.7	172	-68.1	85.7	0	0	0	112.7	E437 V438 A439 V443	E437-H441 PolarHBondContact O-ND1 3.49Å; V438-H441 PolarHBondContact O-N 3.46Å; A439-H441 PolarHBondContact O-N 3.14Å; H441-V443 VanDerWaalsContact C-N 3.34Å; H441-V443 HydrophobicContact CB-CG2 4.23Å
442	G	79.4	Confident	88.8	Confident	53 Å²	53	32 Å²	32	55%	0.546	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	19.2	-179.9	0	0	0	0	0	114.6	A439 N440	A439-G442 PolarHBondContact O-N 3.04Å; N440-G442 VanDerWaalsContact C-N 3.34Å
443	V	84.3	Confident	88.9	Confident	23 Å²	23	30 Å²	30	14%	0.139	17%	0.171	C	C	.	.			trans	-108.1	163.6	-177.5	-56.7	0	0	0	0	111.6	Y351 E377 V438 H441	Y351-V443 PolarHBondContact OH-O 2.85Å; E377-V443 WeakPolarHBondContact O-CG1 3.33Å; V438-V443 HydrophobicContact CG1-CG2 3.49Å; V438-V443 VanDerWaalsContact CG1-CG2 3.49Å; H441-V443 VanDerWaalsContact C-N 3.34Å; H441-V443 HydrophobicContact CB-CG2 4.23Å
444	V	85.4	Confident	89	Confident	10 Å²	10	28.4 Å²	28.4	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.4	178.1	179	0	0	0	0	110.5	P352 H378 F379 G380 C446	P352-V444 HydrophobicContact CB-CG1 4.28Å; P352-V444 HydrophobicContact CB-CG2 4.09Å; P352-V444 HydrophobicContact CG-CG2 4.16Å; H378-V444 WeakPolarHBondContact O-CB 3.49Å; H378-V444 PolarHBondContact O-N 2.63Å; F379-V444 WeakPolarHBondContact CA-O 3.41Å; F379-V444 HydrophobicContact CD1-CB 3.67Å; F379-V444 HydrophobicContact CD1-CG1 3.86Å; F379-V444 HydrophobicContact CD1-CG2 4.46Å; F379-V444 HydrophobicContact CE1-CB 3.9Å; F379-V444 HydrophobicContact CE1-CG1 3.88Å; F379-V444 HydrophobicContact CE1-CG2 4.32Å; G380-V444 PolarHBondContact N-O 2.9Å; V444-C446 PolarHBondContact O-N 3.33Å
445	C	90.2	Very high	89	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	114.8	178.3	-173.3	0	0	0	0	112.3	Y351 P352 M353 L354 V438	Y351-C445 HydrophobicContact CE1-CB 3.68Å; P352-C445 PolarHBondContact O-N 3.35Å; M353-C445 CarbonylContact C-O 3.59Å; M353-C445 VanDerWaalsContact CA-O 3.25Å; M353-C445 WeakPolarHBondContact CA-O 3.27Å; M353-C445 HydrophobicContact CB-CB 4.38Å; M353-C445 HydrophobicContact CG-CB 4.25Å; M353-C445 WeakPolarHBondContact CG-O 3.1Å; L354-C445 PolarHBondContact N-O 3.06Å; V438-C445 HydrophobicContact CB-CB 4.34Å; V438-C445 HydrophobicContact CG1-CB 4.11Å
446	C	92.8	Very high	89.1	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129	172.2	-73.4	0	0	0	0	111.1	L354 V368 F379 G380 G382 V444	L354-C446 WeakPolarHBondContact O-CA 3.27Å; V368-C446 HydrophobicContact CG1-CB 3.87Å; F379-C446 WeakPolarHBondContact CD1-SG 3.49Å; G380-C446 PolarHBondContact O-N 3.33Å; G382-C446 PolarHBondContact N-O 3.38Å; V444-C446 PolarHBondContact O-N 3.33Å
447	L	93.7	Very high	89.2	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	161	-179.5	-61.2	177.7	0	0	0	111.4	M353 L354 V355 L356 G382 L430 M449	M353-L447 HydrophobicContact CE-CD1 4.29Å; M353-L447 HydrophobicContact CG-CD1 4.07Å; M353-L447 HydrophobicContact CG-CG 4.46Å; M353-L447 HydrophobicContact SD-CD1 3.56Å; M353-L447 VanDerWaalsContact SD-CD1 3.56Å; L354-L447 PolarHBondContact O-N 2.82Å; V355-L447 HydrophobicContact CG2-CB 4.29Å; V355-L447 HydrophobicContact CG2-CD1 4.4Å; L356-L447 PolarHBondContact N-O 3.24Å; G382-L447 WeakPolarHBondContact O-CD2 3.38Å; L430-L447 HydrophobicContact CD1-CD1 4.19Å; L430-L447 HydrophobicContact CD1-CD2 3.8Å; L430-L447 HydrophobicContact CD2-CD1 3.58Å; L447-M449 HydrophobicContact CB-CE 4.07Å; L447-M449 HydrophobicContact CD1-CE 3.99Å
448	H	93.3	Very high	89.2	Confident	18 Å²	18	25.1 Å²	25.1	8%	0.083	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.8	165.4	55.8	64.8	0	0	0	112.7	L356 K364 G365 V368 Y400	L356-H448 WeakPolarHBondContact O-CA 3.24Å; L356-H448 WeakPolarHBondContact O-CB 3.48Å; K364-H448 HydrophobicContact CB-CB 3.9Å; G365-H448 WeakPolarHBondContact CA-CD2 3.37Å; G365-H448 WeakPolarHBondContact CA-NE2 3.34Å; V368-H448 HydrophobicContact CG2-CB 4.33Å; Y400-H448 AromaticContact CZ-CE1 3.75Å; Y400-H448 PolarHBondContact OH-CE1 3.2Å
449	M	92.1	Very high	89.2	Confident	8 Å²	8	29 Å²	29	4%	0.039	15%	0.153	C	C	.	.			trans	-155.9	159.4	-177.9	55.8	-166.8	70.7	0	0	112.9	V355 L356 T357 M421 L447 I454 L457	V355-M449 HydrophobicContact CG1-CE 3.98Å; V355-M449 HydrophobicContact CG1-CG 3.72Å; V355-M449 HydrophobicContact CG1-SD 3.86Å; V355-M449 HydrophobicContact CG2-CE 4.41Å; L356-M449 PolarHBondContact O-N 3.07Å; T357-M449 WeakPolarHBondContact CA-O 3.35Å; T357-M449 WeakPolarHBondContact CB-O 3.27Å; T357-M449 PolarHBondContact OG1-O 2.9Å; M421-M449 HydrophobicContact CE-CB 3.99Å; M421-M449 HydrophobicContact SD-CB 4.43Å; L447-M449 HydrophobicContact CB-CE 4.07Å; L447-M449 HydrophobicContact CD1-CE 3.99Å; M449-I454 HydrophobicContact CG-CG1 4.09Å; M449-I454 HydrophobicContact SD-CG1 4.29Å; M449-L457 HydrophobicContact CE-CD2 3.87Å; M449-L457 HydrophobicContact SD-CD2 4.01Å
450	E	92.3	Very high	89.2	Confident	19 Å²	19	29.6 Å²	29.6	9%	0.089	16%	0.157	C	C	.	.			trans	-72.7	172	166.7	-64.8	-66.2	135.3	0	0	111	E360 K364 Y423 E452 G453 R498 Y502	E360-E450 PolarHBondContact N-OE1 3.11Å; K364-E450 IonicContact NZ-OE1 3.33Å; K364-E450 PolarHBondContact NZ-OE1 2.83Å; Y423-E450 HydrophobicContact CD2-CB 4.2Å; Y423-E450 HydrophobicContact CD2-CG 3.66Å; Y423-E450 HydrophobicContact CE2-CG 3.87Å; Y423-E450 HydrophobicContact CG-CG 4.08Å; E450-E452 VanDerWaalsContact C-N 3.33Å; E450-E452 PolarHBondContact O-N 2.6Å; E450-G453 PolarHBondContact O-N 2.96Å; E450-R498 IonicContact OE2-NH2 3.93Å; E450-Y502 WeakPolarHBondContact CA-OH 3.25Å; E450-Y502 PolarHBondContact OE2-OH 3.09Å
451	L	91.8	Very high	89	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-53.7	-44.4	-175.2	-167.2	57.6	0	0	0	113.4	M317 G453 I454 F455 L501 Y502 T505 F512 F513	M317-L451 HydrophobicContact CE-CD2 3.9Å; M317-L451 HydrophobicContact SD-CD2 4.16Å; M317-L451 HydrophobicContact SD-CG 4.46Å; L451-G453 VanDerWaalsContact C-N 3.3Å; L451-G453 PolarHBondContact O-N 2.81Å; L451-I454 HydrophobicContact CD1-CD1 4.34Å; L451-I454 WeakPolarHBondContact O-CB 3.22Å; L451-I454 PolarHBondContact O-N 2.72Å; L451-F455 HydrophobicContact CD1-CD2 4.31Å; L451-F455 HydrophobicContact CD1-CE2 3.84Å; L451-F455 HydrophobicContact CD2-CE2 4.32Å; L451-F455 HydrophobicContact CG-CD2 4.13Å; L451-F455 HydrophobicContact CG-CE2 3.76Å; L451-F455 WeakPolarHBondContact O-CD2 3.46Å; L451-F455 PolarHBondContact O-N 2.84Å; L451-L501 HydrophobicContact CD2-CD2 4.01Å; L451-L501 HydrophobicContact CD2-CG 3.86Å; L451-Y502 HydrophobicContact CB-CD1 4.4Å; L451-Y502 HydrophobicContact CB-CE1 3.64Å; L451-Y502 HydrophobicContact CD1-CD1 4.08Å; L451-Y502 HydrophobicContact CD1-CE1 3.97Å; L451-Y502 HydrophobicContact CD2-CD1 4.48Å; L451-Y502 HydrophobicContact CD2-CE1 4.49Å; L451-Y502 HydrophobicContact CG-CE1 4.24Å; L451-Y502 PolarHBondContact N-OH 2.79Å; L451-T505 HydrophobicContact CD1-CG2 4.34Å; L451-F512 HydrophobicContact CD1-CE1 4.27Å; L451-F513 HydrophobicContact CD1-CE1 4.43Å; L451-F513 HydrophobicContact CD1-CZ 3.89Å
452	E	91.4	Very high	88.8	Confident	43 Å²	43	21.7 Å²	21.7	20%	0.201	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-41.6	-177	-66.6	77.9	-176.2	0	0	111.8	M421 E450 I454 F455 S456 R498	M421-E452 HydrophobicContact CB-CB 4.09Å; E450-E452 VanDerWaalsContact C-N 3.33Å; E450-E452 PolarHBondContact O-N 2.6Å; E452-I454 VanDerWaalsContact C-N 3.28Å; E452-I454 PolarHBondContact O-N 2.59Å; E452-F455 PolarHBondContact O-N 3.08Å; E452-S456 PolarHBondContact O-N 3.35Å; E452-R498 VanDerWaalsContact CD-NH2 3.28Å; E452-R498 IonicContact OE1-CZ 3.14Å; E452-R498 VanDerWaalsContact OE1-CZ 3.27Å; E452-R498 IonicContact OE1-NH1 2.86Å; E452-R498 PolarHBondContact OE1-NH1 2.79Å; E452-R498 IonicContact OE1-NH2 3.21Å; E452-R498 PolarHBondContact OE1-NH2 2.84Å; E452-R498 IonicContact OE2-CZ 2.97Å; E452-R498 IonicContact OE2-NH1 3.86Å; E452-R498 IonicContact OE2-NH2 2.68Å; E452-R498 PolarHBondContact OE2-NH2 2.99Å
453	G	90.6	Very high	88.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-32.3	177	0	0	0	0	0	113.3	E450 L451 L457	E450-G453 PolarHBondContact O-N 2.96Å; L451-G453 VanDerWaalsContact C-N 3.3Å; L451-G453 PolarHBondContact O-N 2.81Å; G453-L457 VanDerWaalsContact O-CB 3.3Å; G453-L457 WeakPolarHBondContact O-CB 3.19Å; G453-L457 PolarHBondContact O-N 3.3Å
454	I	92.3	Very high	89.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.4	-44.5	175.4	-61	168.4	0	0	0	111.1	T357 M449 L451 E452 S456 L457 K458 Y466 F512 F513	T357-I454 VanDerWaalsContact CB-CD1 3.42Å; T357-I454 HydrophobicContact CG2-CD1 3.41Å; T357-I454 VanDerWaalsContact CG2-CD1 3.41Å; T357-I454 WeakPolarHBondContact OG1-CD1 3.22Å; M449-I454 HydrophobicContact CG-CG1 4.09Å; M449-I454 HydrophobicContact SD-CG1 4.29Å; L451-I454 HydrophobicContact CD1-CD1 4.34Å; L451-I454 WeakPolarHBondContact O-CB 3.22Å; L451-I454 PolarHBondContact O-N 2.72Å; E452-I454 VanDerWaalsContact C-N 3.28Å; E452-I454 PolarHBondContact O-N 2.59Å; I454-S456 PolarHBondContact O-N 2.99Å; I454-L457 PolarHBondContact O-N 2.98Å; I454-K458 HydrophobicContact CG2-CD 3.87Å; I454-K458 VanDerWaalsContact CG2-CE 3.45Å; I454-K458 HydrophobicContact CG2-CG 3.98Å; I454-K458 WeakPolarHBondContact O-CB 3.33Å; I454-K458 WeakPolarHBondContact O-CG 3.4Å; I454-K458 PolarHBondContact O-N 3.46Å; I454-Y466 HydrophobicContact CB-CD1 4.33Å; I454-Y466 HydrophobicContact CB-CE1 4.04Å; I454-Y466 HydrophobicContact CD1-CD1 4.23Å; I454-Y466 HydrophobicContact CG1-CD1 3.91Å; I454-Y466 HydrophobicContact CG1-CE1 3.92Å; I454-Y466 HydrophobicContact CG2-CD1 3.65Å; I454-Y466 HydrophobicContact CG2-CE1 3.43Å; I454-Y466 VanDerWaalsContact CG2-CE1 3.43Å; I454-Y466 HydrophobicContact CG2-CG 4.38Å; I454-F512 HydrophobicContact CG2-CE1 3.71Å; I454-F512 HydrophobicContact CG2-CZ 3.72Å; I454-F513 HydrophobicContact CD1-CE1 3.78Å
455	F	91.3	Very high	89.2	Confident	4 Å²	4	27.4 Å²	27.4	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-37.6	-179	-85	-112.2	0	0	0	110.7	M317 D318 A321 L451 E452 T505 R509 F512	M317-F455 HydrophobicContact CB-CD1 3.83Å; M317-F455 HydrophobicContact CB-CE1 3.9Å; M317-F455 HydrophobicContact CB-CG 4.19Å; M317-F455 HydrophobicContact CB-CZ 4.36Å; M317-F455 HydrophobicContact CE-CE1 4.48Å; M317-F455 HydrophobicContact CE-CE2 4.09Å; M317-F455 HydrophobicContact CE-CZ 3.88Å; D318-F455 HydrophobicContact CB-CD1 4.48Å; D318-F455 WeakPolarHBondContact OD1-CD1 3.34Å; D318-F455 WeakPolarHBondContact OD1-CE1 3.5Å; A321-F455 HydrophobicContact CB-CB 3.62Å; A321-F455 WeakPolarHBondContact CB-O 3.33Å; L451-F455 HydrophobicContact CD1-CD2 4.31Å; L451-F455 HydrophobicContact CD1-CE2 3.84Å; L451-F455 HydrophobicContact CD2-CE2 4.32Å; L451-F455 HydrophobicContact CG-CD2 4.13Å; L451-F455 HydrophobicContact CG-CE2 3.76Å; L451-F455 WeakPolarHBondContact O-CD2 3.46Å; L451-F455 PolarHBondContact O-N 2.84Å; E452-F455 PolarHBondContact O-N 3.08Å; F455-T505 HydrophobicContact CE2-CG2 4.18Å; F455-T505 HydrophobicContact CZ-CG2 4.13Å; F455-R509 VanDerWaalsContact CE1-NH1 3.31Å; F455-F512 HydrophobicContact CD2-CE1 4.43Å; F455-F512 HydrophobicContact CD2-CE2 4.39Å; F455-F512 AromaticContact CD2-CZ 3.6Å; F455-F512 HydrophobicContact CD2-CZ 3.6Å; F455-F512 HydrophobicContact CE2-CE1 4.06Å; F455-F512 HydrophobicContact CE2-CE2 4.11Å; F455-F512 AromaticContact CE2-CZ 3.41Å; F455-F512 HydrophobicContact CE2-CZ 3.41Å; F455-F512 VanDerWaalsContact CE2-CZ 3.41Å; F455-F512 HydrophobicContact CG-CZ 4.26Å; F455-F512 HydrophobicContact CZ-CE2 4.19Å; F455-F512 AromaticContact CZ-CZ 3.94Å; F455-F512 HydrophobicContact CZ-CZ 3.94Å
456	S	91.3	Very high	89.3	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-73.9	-47.8	172.7	-176	0	0	0	0	112.6	D324 L419 E452 I454 K458 K459	D324-S456 WeakPolarHBondContact OD2-CB 3.45Å; D324-S456 PolarHBondContact OD2-OG 3.49Å; L419-S456 VanDerWaalsContact CB-OG 3.28Å; L419-S456 WeakPolarHBondContact CB-OG 3.26Å; E452-S456 PolarHBondContact O-N 3.35Å; I454-S456 PolarHBondContact O-N 2.99Å; S456-K458 VanDerWaalsContact C-N 3.26Å; S456-K458 PolarHBondContact O-N 3.27Å; S456-K459 WeakPolarHBondContact O-CB 3.24Å; S456-K459 PolarHBondContact O-N 2.82Å
457	L	90.7	Very high	89.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-36	-179.4	-170.4	60.5	0	0	0	112.6	M353 V355 L419 L430 M449 G453 I454 K459 S460 F462 P464 Y466	M353-L457 HydrophobicContact SD-CD2 4.12Å; V355-L457 HydrophobicContact CG2-CD2 3.77Å; L419-L457 HydrophobicContact CD2-CB 3.67Å; L419-L457 HydrophobicContact CD2-CD1 3.83Å; L419-L457 HydrophobicContact CD2-CG 4.22Å; L430-L457 HydrophobicContact CD2-CD1 4.45Å; M449-L457 HydrophobicContact CE-CD2 3.87Å; M449-L457 HydrophobicContact SD-CD2 4.01Å; G453-L457 VanDerWaalsContact O-CB 3.3Å; G453-L457 WeakPolarHBondContact O-CB 3.19Å; G453-L457 PolarHBondContact O-N 3.3Å; I454-L457 PolarHBondContact O-N 2.98Å; L457-K459 PolarHBondContact O-N 3.01Å; L457-S460 WeakPolarHBondContact O-CB 3.41Å; L457-S460 PolarHBondContact O-N 3.43Å; L457-S460 PolarHBondContact O-OG 2.98Å; L457-F462 HydrophobicContact CD1-CB 4.46Å; L457-P464 HydrophobicContact CD2-CG 3.87Å; L457-P464 HydrophobicContact CG-CG 4.27Å; L457-Y466 HydrophobicContact CD2-CE1 4.21Å; L457-Y466 WeakPolarHBondContact CG-OH 3.29Å
458	K	89.9	Confident	89.4	Confident	72 Å²	72	27.5 Å²	27.5	31%	0.313	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.8	174.5	-75.5	-174.1	-175.5	-68.7	0	114.3	I454 S456 Y466 F512	I454-K458 HydrophobicContact CG2-CD 3.87Å; I454-K458 VanDerWaalsContact CG2-CE 3.45Å; I454-K458 HydrophobicContact CG2-CG 3.98Å; I454-K458 WeakPolarHBondContact O-CB 3.33Å; I454-K458 WeakPolarHBondContact O-CG 3.4Å; I454-K458 PolarHBondContact O-N 3.46Å; S456-K458 VanDerWaalsContact C-N 3.26Å; S456-K458 PolarHBondContact O-N 3.27Å; K458-Y466 HydrophobicContact CD-CE2 4.32Å; K458-Y466 HydrophobicContact CG-CE1 4.46Å; K458-Y466 HydrophobicContact CG-CE2 3.68Å; K458-Y466 VanDerWaalsContact CG-OH 3.28Å; K458-Y466 WeakPolarHBondContact CG-OH 3.25Å; K458-Y466 PolarHBondContact N-OH 3.04Å; K458-F512 HydrophobicContact CD-CD2 4.06Å; K458-F512 HydrophobicContact CD-CE2 3.62Å; K458-F512 HydrophobicContact CD-CZ 3.9Å; K458-F512 WeakPolarHBondContact CE-O 3.44Å; K458-F512 PolarHBondContact NZ-O 3.45Å
459	K	87.9	Confident	89.4	Confident	92 Å²	92	26.7 Å²	26.7	40%	0.4	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-23.5	169	-52.4	-57.6	179.2	-179.9	0	112.3	H325 S456 L457	H325-K459 HydrophobicContact CB-CB 3.87Å; H325-K459 HydrophobicContact CB-CG 4.27Å; H325-K459 PolarHBondContact NE2-O 3.18Å; S456-K459 WeakPolarHBondContact O-CB 3.24Å; S456-K459 PolarHBondContact O-N 2.82Å; L457-K459 PolarHBondContact O-N 3.01Å
460	S	85	Confident	89.4	Confident	14 Å²	14	27.4 Å²	27.4	10%	0.098	13%	0.133	C	C	.	.	S	Bend	trans	-71.5	168.1	-178.9	84.3	0	0	0	0	113	L457 F462	L457-S460 WeakPolarHBondContact O-CB 3.41Å; L457-S460 PolarHBondContact O-N 3.43Å; L457-S460 PolarHBondContact O-OG 2.98Å; S460-F462 PolarHBondContact O-N 2.95Å; S460-F462 PolarHBondContact OG-N 2.96Å
461	C	80.3	Confident	89.4	Confident	88 Å²	88	26.7 Å²	26.7	60%	0.595	13%	0.13	S	C	*	.	S	Bend	trans	-65.9	-17.4	173	59.9	0	0	0	0	114.2	K463	C461-K463 PolarHBondContact O-N 2.65Å
462	F	78.5	Confident	89.3	Confident	7 Å²	7	31.4 Å²	31.4	3%	0.031	16%	0.158	C	C	.	.			trans	-75.3	125.3	175.2	-59.3	-79.4	0	0	0	109.6	S342 Y351 M353 I418 I435 L457 S460 P464	S342-F462 WeakPolarHBondContact O-CE1 3.47Å; Y351-F462 HydrophobicContact CD1-CD1 4.46Å; Y351-F462 HydrophobicContact CD1-CE1 4.26Å; M353-F462 HydrophobicContact CE-CB 4.04Å; M353-F462 HydrophobicContact CE-CD1 3.75Å; M353-F462 HydrophobicContact CE-CE1 4.35Å; M353-F462 HydrophobicContact CE-CG 3.84Å; I418-F462 HydrophobicContact CD1-CE2 3.84Å; I418-F462 HydrophobicContact CD1-CZ 4.48Å; I435-F462 HydrophobicContact CD1-CD2 4.44Å; I435-F462 HydrophobicContact CD1-CE2 4.02Å; I435-F462 HydrophobicContact CD1-CZ 4.05Å; I435-F462 HydrophobicContact CG2-CE1 4.39Å; L457-F462 HydrophobicContact CD1-CB 4.46Å; S460-F462 PolarHBondContact O-N 2.95Å; S460-F462 PolarHBondContact OG-N 2.96Å; F462-P464 WeakPolarHBondContact O-CD 3.35Å
463	K	82.8	Confident	89.2	Confident	152 Å²	152	30.5 Å²	30.5	66%	0.661	16%	0.158	S	C	*	.			trans	-108.2	67.3	173.2	-60.1	-179.8	-179.6	178.8	0	110.3	P350 C461	P350-K463 HydrophobicContact CB-CB 4.39Å; P350-K463 HydrophobicContact CG-CB 4.11Å; C461-K463 PolarHBondContact O-N 2.65Å
464	P	87.3	Confident	89.1	Confident	8 Å²	8	34.2 Å²	34.2	5%	0.052	18%	0.177	C	C	.	.			trans	-70.9	163.6	-179.2	32.6	-37	0	0	0	111.7	M353 V355 L457 F462 Y466	M353-P464 HydrophobicContact CB-CB 3.8Å; M353-P464 HydrophobicContact CG-CB 3.74Å; M353-P464 VanDerWaalsContact O-CA 3.23Å; M353-P464 WeakPolarHBondContact O-CA 3.45Å; M353-P464 WeakPolarHBondContact O-CB 3.34Å; M353-P464 HydrophobicContact SD-CB 3.72Å; M353-P464 HydrophobicContact SD-CG 3.98Å; V355-P464 HydrophobicContact CG2-CB 3.78Å; V355-P464 HydrophobicContact CG2-CG 3.83Å; L457-P464 HydrophobicContact CD2-CG 3.87Å; L457-P464 HydrophobicContact CG-CG 4.27Å; F462-P464 WeakPolarHBondContact O-CD 3.35Å; P464-Y466 HydrophobicContact CG-CD2 4.41Å; P464-Y466 HydrophobicContact CG-CE1 4.02Å; P464-Y466 HydrophobicContact CG-CE2 3.64Å; P464-Y466 VanDerWaalsContact CG-CZ 3.42Å; P464-Y466 WeakPolarHBondContact CG-OH 3.37Å; P464-Y466 VanDerWaalsContact O-CD2 3.26Å; P464-Y466 WeakPolarHBondContact O-CD2 3.4Å; P464-Y466 VanDerWaalsContact O-CE2 3.28Å; P464-Y466 WeakPolarHBondContact O-CE2 3.19Å
465	R	87.8	Confident	89	Confident	45 Å²	45	41.8 Å²	41.8	17%	0.17	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.8	166.6	-62.2	-62.6	-174.7	161.1	7	109.9	M353 L354 V355 D514 F659	M353-R465 PolarHBondContact O-N 2.82Å; L354-R465 HydrophobicContact CD1-CB 4.15Å; V355-R465 PolarHBondContact N-O 3.36Å; R465-D514 WeakPolarHBondContact CA-OD2 3.29Å; R465-D514 WeakPolarHBondContact CD-OD1 3.43Å; R465-D514 IonicContact CZ-OD1 3.66Å; R465-D514 IonicContact NE-OD1 3.78Å; R465-D514 IonicContact NH1-OD1 2.74Å; R465-D514 PolarHBondContact NH1-OD1 2.79Å; R465-F659 HydrophobicContact CG-CD1 3.92Å; R465-F659 HydrophobicContact CG-CE1 3.52Å; R465-F659 HydrophobicContact CG-CZ 4.02Å
466	Y	92.8	Very high	88.8	Confident	5 Å²	5	47.6 Å²	47.6	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.7	-178.1	-64.1	-87.8	0	0	0	110.7	V355 I454 L457 K458 P464 D514	V355-Y466 HydrophobicContact CB-CD1 3.78Å; V355-Y466 HydrophobicContact CB-CE1 4.05Å; V355-Y466 HydrophobicContact CG1-CD1 3.8Å; V355-Y466 HydrophobicContact CG1-CE1 3.99Å; V355-Y466 HydrophobicContact CG2-CD1 4.38Å; V355-Y466 HydrophobicContact CG2-CE1 4.17Å; V355-Y466 WeakPolarHBondContact O-CA 3.17Å; I454-Y466 HydrophobicContact CB-CD1 4.33Å; I454-Y466 HydrophobicContact CB-CE1 4.04Å; I454-Y466 HydrophobicContact CD1-CD1 4.23Å; I454-Y466 HydrophobicContact CG1-CD1 3.91Å; I454-Y466 HydrophobicContact CG1-CE1 3.92Å; I454-Y466 HydrophobicContact CG2-CD1 3.65Å; I454-Y466 HydrophobicContact CG2-CE1 3.43Å; I454-Y466 VanDerWaalsContact CG2-CE1 3.43Å; I454-Y466 HydrophobicContact CG2-CG 4.38Å; L457-Y466 HydrophobicContact CD2-CE1 4.21Å; L457-Y466 WeakPolarHBondContact CG-OH 3.29Å; K458-Y466 HydrophobicContact CD-CE2 4.32Å; K458-Y466 HydrophobicContact CG-CE1 4.46Å; K458-Y466 HydrophobicContact CG-CE2 3.68Å; K458-Y466 VanDerWaalsContact CG-OH 3.28Å; K458-Y466 WeakPolarHBondContact CG-OH 3.25Å; K458-Y466 PolarHBondContact N-OH 3.04Å; P464-Y466 HydrophobicContact CG-CD2 4.41Å; P464-Y466 HydrophobicContact CG-CE1 4.02Å; P464-Y466 HydrophobicContact CG-CE2 3.64Å; P464-Y466 VanDerWaalsContact CG-CZ 3.42Å; P464-Y466 WeakPolarHBondContact CG-OH 3.37Å; P464-Y466 VanDerWaalsContact O-CD2 3.26Å; P464-Y466 WeakPolarHBondContact O-CD2 3.4Å; P464-Y466 VanDerWaalsContact O-CE2 3.28Å; P464-Y466 WeakPolarHBondContact O-CE2 3.19Å; Y466-D514 PolarHBondContact N-OD2 3.24Å; Y466-D514 PolarHBondContact O-N 3.31Å
467	I	93.7	Very high	88.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.1	175.3	-60.5	-176.5	0	0	0	109.1	L354 V355 L356 T357 N515 I517 L529 I532	L354-I467 HydrophobicContact CD1-CD1 3.81Å; L354-I467 HydrophobicContact CD1-CG1 4.13Å; V355-I467 PolarHBondContact O-N 3.21Å; L356-I467 HydrophobicContact CD2-CB 3.68Å; L356-I467 HydrophobicContact CD2-CG2 3.63Å; T357-I467 PolarHBondContact N-O 3.47Å; I467-N515 WeakPolarHBondContact CA-O 3.21Å; I467-N515 HydrophobicContact CG1-CB 4.24Å; I467-I517 HydrophobicContact CG2-CD1 3.54Å; I467-I517 HydrophobicContact CG2-CG1 3.84Å; I467-L529 HydrophobicContact CD1-CD1 3.72Å; I467-I532 HydrophobicContact CD1-CG2 3.77Å
468	L	94.5	Very high	88.6	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119	177.3	174.2	62	0	0	0	110.9	T357 I470 Y502 N506 F513 N515 V516 I517	T357-L468 HydrophobicContact CG2-CB 4.3Å; T357-L468 HydrophobicContact CG2-CD1 3.9Å; L468-I470 HydrophobicContact CG-CB 4.36Å; L468-Y502 HydrophobicContact CD1-CD1 3.63Å; L468-Y502 HydrophobicContact CD1-CE1 4.36Å; L468-Y502 HydrophobicContact CD1-CG 4.25Å; L468-N506 HydrophobicContact CD2-CB 4.27Å; L468-F513 HydrophobicContact CB-CB 4.24Å; L468-F513 HydrophobicContact CB-CD1 3.99Å; L468-F513 HydrophobicContact CB-CD2 4.21Å; L468-F513 HydrophobicContact CB-CE1 4.42Å; L468-F513 HydrophobicContact CB-CG 3.87Å; L468-F513 HydrophobicContact CD1-CZ 4.4Å; L468-F513 HydrophobicContact CD2-CD2 3.85Å; L468-F513 HydrophobicContact CD2-CE2 3.82Å; L468-F513 HydrophobicContact CD2-CG 4.38Å; L468-F513 HydrophobicContact CD2-CZ 4.35Å; L468-N515 PolarHBondContact N-O 2.99Å; L468-V516 HydrophobicContact CB-CG1 4.43Å; L468-V516 HydrophobicContact CB-CG2 4.33Å; L468-V516 HydrophobicContact CD2-CG1 4.23Å; L468-V516 HydrophobicContact CD2-CG2 4.34Å; L468-V516 HydrophobicContact CG-CG1 4.32Å; L468-V516 CarbonylContact O-C 3.6Å; L468-V516 WeakPolarHBondContact O-CA 3.26Å; L468-I517 PolarHBondContact O-N 3.16Å
469	L	93.4	Very high	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.3	163.4	-67.6	154.6	0	0	0	108.8	L356 T357 G358 P359 C362 K364 L367 I517 A525	L356-L469 HydrophobicContact CB-CD1 4.46Å; L356-L469 HydrophobicContact CD2-CD1 3.87Å; L356-L469 HydrophobicContact CD2-CG 4.14Å; T357-L469 VanDerWaalsContact O-CB 3.29Å; T357-L469 WeakPolarHBondContact O-CB 3.25Å; T357-L469 PolarHBondContact O-N 2.79Å; G358-L469 WeakPolarHBondContact CA-O 3.38Å; P359-L469 WeakPolarHBondContact CD-O 3.11Å; C362-L469 HydrophobicContact CB-CB 4.29Å; K364-L469 HydrophobicContact CB-CD1 4.32Å; K364-L469 HydrophobicContact CG-CD1 3.91Å; L367-L469 HydrophobicContact CD1-CD1 3.69Å; L367-L469 HydrophobicContact CD1-CD2 3.74Å; L367-L469 HydrophobicContact CD1-CG 4.39Å; L469-I517 WeakPolarHBondContact CA-O 3.42Å; L469-I517 HydrophobicContact CD2-CB 3.95Å; L469-I517 HydrophobicContact CD2-CG2 3.9Å; L469-A525 HydrophobicContact CD2-CB 4.38Å
470	I	92.6	Very high	88.4	Confident	23 Å²	23	50.9 Å²	50.9	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.9	179	-163.8	169.2	0	0	0	111	L468 T472 V499 V516 I517 S518 S519	L468-I470 HydrophobicContact CG-CB 4.36Å; I470-T472 PolarHBondContact O-N 3.15Å; I470-V499 HydrophobicContact CG1-CG1 4.19Å; I470-V516 HydrophobicContact CG2-CG1 3.79Å; I470-I517 PolarHBondContact N-O 2.96Å; I470-S518 WeakPolarHBondContact O-CA 3.21Å; I470-S519 PolarHBondContact O-N 2.84Å
471	P	92	Very high	88.5	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.032	25%	0.254	C	S	.	.			trans	-76.5	119.1	175.6	28.5	-31.4	0	0	0	109.6	P359 F477 V499 S519	P359-P471 HydrophobicContact CG-CG 4.33Å; P471-F477 HydrophobicContact CB-CB 3.81Å; P471-F477 HydrophobicContact CB-CD1 4.34Å; P471-F477 HydrophobicContact CB-CD2 3.78Å; P471-F477 HydrophobicContact CB-CE2 4.41Å; P471-F477 HydrophobicContact CB-CG 3.73Å; P471-F477 HydrophobicContact CG-CD1 4.16Å; P471-F477 HydrophobicContact CG-CD2 4.02Å; P471-F477 HydrophobicContact CG-CE1 4.32Å; P471-F477 HydrophobicContact CG-CE2 4.18Å; P471-F477 HydrophobicContact CG-CG 4Å; P471-F477 HydrophobicContact CG-CZ 4.32Å; P471-V499 HydrophobicContact CG-CG1 3.95Å; P471-V499 HydrophobicContact CG-CG2 3.74Å; P471-S519 VanDerWaalsContact CA-OG 3.3Å; P471-S519 WeakPolarHBondContact CA-OG 3.5Å; P471-S519 WeakPolarHBondContact CB-OG 3.34Å
472	T	89.1	Confident	88.9	Confident	98 Å²	98	51.7 Å²	51.7	60%	0.601	25%	0.25	S	S	*	.	S	Bend	trans	-83.4	-28.7	176.9	37.6	0	0	0	0	112.1	I470 S518 D520	I470-T472 PolarHBondContact O-N 3.15Å; T472-S518 PolarHBondContact OG1-OG 3.47Å; T472-D520 PolarHBondContact N-OD1 3.13Å; T472-D520 PolarHBondContact OG1-OD1 2.86Å; T472-D520 PolarHBondContact OG1-OD2 3.15Å
473	A	90	Very high	89.2	Confident	24 Å²	24	55.2 Å²	55.2	20%	0.198	28%	0.276	C	S	.	.			trans	-111.4	88.1	176.4	0	0	0	0	0	111.5	E475 K476 F477 D520	A473-E475 PolarHBondContact O-N 3.04Å; A473-E475 VanDerWaalsContact O-N 3.12Å; A473-K476 HydrophobicContact CB-CB 4.05Å; A473-K476 HydrophobicContact CB-CD 3.71Å; A473-K476 HydrophobicContact CB-CG 3.8Å; A473-K476 PolarHBondContact O-N 3.1Å; A473-F477 PolarHBondContact O-N 2.56Å; A473-D520 WeakPolarHBondContact CB-OD2 3.35Å; A473-D520 PolarHBondContact N-OD1 3.1Å; A473-D520 PolarHBondContact N-OD2 3.05Å; A473-D520 VanDerWaalsContact N-OD2 3.07Å
474	I	89	Confident	89.1	Confident	78 Å²	78	50.1 Å²	50.1	40%	0.4	26%	0.258	S	S	.	.	H	α-helix	trans	-51.1	-38.7	-178.8	-62.2	174.2	0	0	0	112.3	F477 I478 V496	I474-F477 PolarHBondContact O-N 2.85Å; I474-I478 HydrophobicContact CG2-CD1 3.81Å; I474-I478 HydrophobicContact CG2-CG1 4.38Å; I474-I478 WeakPolarHBondContact O-CB 3.25Å; I474-I478 VanDerWaalsContact O-CG1 3.29Å; I474-I478 WeakPolarHBondContact O-CG1 3.22Å; I474-I478 PolarHBondContact O-N 3.34Å; I474-V496 HydrophobicContact CG2-CG1 3.86Å; I474-V496 HydrophobicContact CG2-CG2 4.47Å
475	E	89.4	Confident	88.7	Confident	159 Å²	159	56.9 Å²	56.9	74%	0.743	29%	0.294	S	S	*	.	H	α-helix	trans	-62.6	-46.8	176.6	-62.2	-173.1	163.1	0	0	112.8	A473 F477 I478 I479	A473-E475 PolarHBondContact O-N 3.04Å; A473-E475 VanDerWaalsContact O-N 3.12Å; E475-F477 VanDerWaalsContact C-N 3.32Å; E475-F477 PolarHBondContact O-N 3.41Å; E475-I478 PolarHBondContact O-N 3.41Å; E475-I479 WeakPolarHBondContact O-CD1 3.12Å; E475-I479 VanDerWaalsContact O-CG1 3.27Å; E475-I479 WeakPolarHBondContact O-CG1 3.35Å; E475-I479 PolarHBondContact O-N 2.89Å
476	K	87.1	Confident	88.4	Confident	127 Å²	127	59.4 Å²	59.4	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-63.3	-41.6	177	-62.3	-177.4	-166	163.2	0	110.8	A473 I479 H480	A473-K476 HydrophobicContact CB-CB 4.05Å; A473-K476 HydrophobicContact CB-CD 3.71Å; A473-K476 HydrophobicContact CB-CG 3.8Å; A473-K476 PolarHBondContact O-N 3.1Å; K476-I479 PolarHBondContact O-N 3.41Å; K476-H480 WeakPolarHBondContact O-CB 3.14Å; K476-H480 PolarHBondContact O-N 3.33Å
477	F	88.7	Confident	88.1	Confident	12 Å²	12	61.5 Å²	61.5	5%	0.053	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-45.5	176.8	172.8	-108.9	0	0	0	111.8	P359 E360 P471 A473 I474 E475 H480 M481 A495 V496 V499	P359-F477 HydrophobicContact CB-CZ 4.06Å; E360-F477 WeakPolarHBondContact O-CE2 3.41Å; E360-F477 WeakPolarHBondContact O-CZ 3.38Å; P471-F477 HydrophobicContact CB-CB 3.81Å; P471-F477 HydrophobicContact CB-CD1 4.34Å; P471-F477 HydrophobicContact CB-CD2 3.78Å; P471-F477 HydrophobicContact CB-CE2 4.41Å; P471-F477 HydrophobicContact CB-CG 3.73Å; P471-F477 HydrophobicContact CG-CD1 4.16Å; P471-F477 HydrophobicContact CG-CD2 4.02Å; P471-F477 HydrophobicContact CG-CE1 4.32Å; P471-F477 HydrophobicContact CG-CE2 4.18Å; P471-F477 HydrophobicContact CG-CG 4Å; P471-F477 HydrophobicContact CG-CZ 4.32Å; A473-F477 PolarHBondContact O-N 2.56Å; I474-F477 PolarHBondContact O-N 2.85Å; E475-F477 VanDerWaalsContact C-N 3.32Å; E475-F477 PolarHBondContact O-N 3.41Å; F477-H480 PolarHBondContact O-N 3.04Å; F477-M481 HydrophobicContact CD2-CG 4.49Å; F477-M481 HydrophobicContact CE1-CE 4.29Å; F477-M481 HydrophobicContact CE2-CG 4.31Å; F477-M481 HydrophobicContact CZ-CE 3.97Å; F477-M481 HydrophobicContact CZ-CG 4.39Å; F477-M481 WeakPolarHBondContact O-CB 3.37Å; F477-M481 WeakPolarHBondContact O-CG 3.38Å; F477-M481 PolarHBondContact O-N 2.9Å; F477-A495 HydrophobicContact CZ-CB 4.37Å; F477-V496 HydrophobicContact CD1-CG2 4.13Å; F477-V496 HydrophobicContact CE1-CG2 3.98Å; F477-V499 HydrophobicContact CE1-CG2 4.3Å
478	I	89	Confident	87.8	Confident	40 Å²	40	65.1 Å²	65.1	21%	0.205	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-42.9	173.5	-71.4	168.3	0	0	0	111.9	I474 E475 K482 I492 V496	I474-I478 HydrophobicContact CG2-CD1 3.81Å; I474-I478 HydrophobicContact CG2-CG1 4.38Å; I474-I478 WeakPolarHBondContact O-CB 3.25Å; I474-I478 VanDerWaalsContact O-CG1 3.29Å; I474-I478 WeakPolarHBondContact O-CG1 3.22Å; I474-I478 PolarHBondContact O-N 3.34Å; E475-I478 PolarHBondContact O-N 3.41Å; I478-K482 HydrophobicContact CG2-CD 3.96Å; I478-K482 VanDerWaalsContact CG2-CE 3.5Å; I478-K482 WeakPolarHBondContact O-CB 3.39Å; I478-K482 VanDerWaalsContact O-CG 3.28Å; I478-K482 WeakPolarHBondContact O-CG 3.14Å; I478-K482 PolarHBondContact O-N 2.81Å; I478-I492 HydrophobicContact CG1-CG2 4.49Å; I478-V496 HydrophobicContact CD1-CG1 4.44Å; I478-V496 HydrophobicContact CD1-CG2 3.82Å; I478-V496 HydrophobicContact CG1-CG2 3.53Å
479	I	87.6	Confident	87.5	Confident	115 Å²	115	72.3 Å²	72.3	59%	0.59	37%	0.365	S	S	*	.	H	α-helix	trans	-64.6	-42.4	178.1	-69.8	164	0	0	0	110.7	E475 K476 K482 S483	E475-I479 WeakPolarHBondContact O-CD1 3.12Å; E475-I479 VanDerWaalsContact O-CG1 3.27Å; E475-I479 WeakPolarHBondContact O-CG1 3.35Å; E475-I479 PolarHBondContact O-N 2.89Å; K476-I479 PolarHBondContact O-N 3.41Å; I479-K482 PolarHBondContact O-N 2.83Å; I479-S483 PolarHBondContact O-N 2.83Å; I479-S483 PolarHBondContact O-OG 3.3Å
480	H	86.2	Confident	87.2	Confident	67 Å²	67	76.8 Å²	76.8	31%	0.31	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-50.2	176.1	179.4	61.1	0	0	0	111.9	R363 K476 F477 K482 S483 T484	R363-H480 WeakPolarHBondContact CD-NE2 3.32Å; K476-H480 WeakPolarHBondContact O-CB 3.14Å; K476-H480 PolarHBondContact O-N 3.33Å; F477-H480 PolarHBondContact O-N 3.04Å; H480-K482 VanDerWaalsContact C-N 3.28Å; H480-K482 PolarHBondContact O-N 3.19Å; H480-S483 PolarHBondContact O-N 3.39Å; H480-S483 VanDerWaalsContact O-N 3.09Å; H480-S483 PolarHBondContact O-OG 3.47Å; H480-S483 VanDerWaalsContact O-OG 3.04Å; H480-T484 WeakPolarHBondContact O-CG2 3.25Å; H480-T484 PolarHBondContact O-N 2.92Å
481	M	87.1	Confident	87	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-52.1	-47.3	175.7	-78	-93.2	-103.3	0	0	111.6	G361 F477 T484 Y487 I492 A495	G361-M481 VanDerWaalsContact CA-SD 3.51Å; F477-M481 HydrophobicContact CD2-CG 4.49Å; F477-M481 HydrophobicContact CE1-CE 4.29Å; F477-M481 HydrophobicContact CE2-CG 4.31Å; F477-M481 HydrophobicContact CZ-CE 3.97Å; F477-M481 HydrophobicContact CZ-CG 4.39Å; F477-M481 WeakPolarHBondContact O-CB 3.37Å; F477-M481 WeakPolarHBondContact O-CG 3.38Å; F477-M481 PolarHBondContact O-N 2.9Å; M481-T484 PolarHBondContact O-OG1 3.08Å; M481-Y487 HydrophobicContact CB-CD2 4.41Å; M481-Y487 HydrophobicContact SD-CD1 4.41Å; M481-Y487 HydrophobicContact SD-CD2 3.48Å; M481-Y487 WeakPolarHBondContact SD-CD2 3.47Å; M481-Y487 HydrophobicContact SD-CE1 4.49Å; M481-Y487 HydrophobicContact SD-CE2 3.57Å; M481-Y487 VanDerWaalsContact SD-CE2 3.57Å; M481-Y487 HydrophobicContact SD-CG 3.93Å; M481-I492 HydrophobicContact CB-CD1 4.17Å; M481-I492 HydrophobicContact CB-CG1 4.13Å; M481-I492 HydrophobicContact CB-CG2 4.35Å; M481-I492 HydrophobicContact CE-CB 4.47Å; M481-I492 HydrophobicContact CE-CG1 4.28Å; M481-A495 HydrophobicContact CE-CB 3.41Å; M481-A495 VanDerWaalsContact CE-CB 3.41Å
482	K	88.3	Confident	86.9	Confident	118 Å²	118	77.9 Å²	77.9	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.2	-72.1	169	-178.7	167.9	0	112.7	I478 I479 H480 T484 N485 I492	I478-K482 HydrophobicContact CG2-CD 3.96Å; I478-K482 VanDerWaalsContact CG2-CE 3.5Å; I478-K482 WeakPolarHBondContact O-CB 3.39Å; I478-K482 VanDerWaalsContact O-CG 3.28Å; I478-K482 WeakPolarHBondContact O-CG 3.14Å; I478-K482 PolarHBondContact O-N 2.81Å; I479-K482 PolarHBondContact O-N 2.83Å; H480-K482 VanDerWaalsContact C-N 3.28Å; H480-K482 PolarHBondContact O-N 3.19Å; K482-T484 VanDerWaalsContact C-N 3.27Å; K482-T484 PolarHBondContact O-N 3.13Å; K482-N485 PolarHBondContact O-N 3.25Å; K482-N485 VanDerWaalsContact O-N 3.15Å; K482-I492 HydrophobicContact CG-CD1 3.85Å
483	S	85.4	Confident	86.9	Confident	81 Å²	81	77.1 Å²	77.1	57%	0.566	39%	0.39	S	S	*	.	H	α-helix	trans	-69.1	-21.5	-176.5	70.5	0	0	0	0	114	I479 H480 N485	I479-S483 PolarHBondContact O-N 2.83Å; I479-S483 PolarHBondContact O-OG 3.3Å; H480-S483 PolarHBondContact O-N 3.39Å; H480-S483 VanDerWaalsContact O-N 3.09Å; H480-S483 PolarHBondContact O-OG 3.47Å; H480-S483 VanDerWaalsContact O-OG 3.04Å; S483-N485 VanDerWaalsContact C-N 3.26Å; S483-N485 PolarHBondContact O-N 2.96Å; S483-N485 PolarHBondContact O-ND2 2.63Å
484	T	80.4	Confident	86.9	Confident	45 Å²	45	78.8 Å²	78.8	28%	0.276	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.4	171.8	68.5	0	0	0	0	114.3	H480 M481 K482 R486 Y487	H480-T484 WeakPolarHBondContact O-CG2 3.25Å; H480-T484 PolarHBondContact O-N 2.92Å; M481-T484 PolarHBondContact O-OG1 3.08Å; K482-T484 VanDerWaalsContact C-N 3.27Å; K482-T484 PolarHBondContact O-N 3.13Å; T484-R486 PolarHBondContact O-N 2.82Å; T484-R486 VanDerWaalsContact O-N 3.1Å; T484-R486 PolarHBondContact OG1-N 3.14Å; T484-Y487 WeakPolarHBondContact OG1-CD2 3.44Å
485	N	79.6	Confident	86.9	Confident	151 Å²	151	75.1 Å²	75.1	81%	0.807	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	21.7	-168.7	-63.7	-73.9	0	0	0	115.1	K482 S483	K482-N485 PolarHBondContact O-N 3.25Å; K482-N485 VanDerWaalsContact O-N 3.15Å; S483-N485 VanDerWaalsContact C-N 3.26Å; S483-N485 PolarHBondContact O-N 2.96Å; S483-N485 PolarHBondContact O-ND2 2.63Å
486	R	81.4	Confident	87	Confident	98 Å²	98	69.1 Å²	69.1	37%	0.37	35%	0.351	S	S	.	.			trans	-90.9	-33.1	178.5	-71.2	178.5	170.8	176	-6.7	113.9	Y391 S392 T484	Y391-R486 HydrophobicContact CD1-CB 4.32Å; Y391-R486 VanDerWaalsContact CE1-O 3.24Å; Y391-R486 WeakPolarHBondContact CE1-O 3.33Å; S392-R486 PolarHBondContact O-NH2 2.95Å; T484-R486 PolarHBondContact O-N 2.82Å; T484-R486 VanDerWaalsContact O-N 3.1Å; T484-R486 PolarHBondContact OG1-N 3.14Å
487	Y	85.4	Confident	87.2	Confident	48 Å²	48	70.3 Å²	70.3	19%	0.188	36%	0.359	C	S	.	.	S	Bend	trans	-103.4	136.8	-168.8	-52.3	-77.7	0	0	0	111.8	E360 Y391 M481 T484	E360-Y487 HydrophobicContact CG-CD1 4.29Å; E360-Y487 HydrophobicContact CG-CE1 3.73Å; Y391-Y487 HydrophobicContact CE2-CE1 4.41Å; M481-Y487 HydrophobicContact CB-CD2 4.41Å; M481-Y487 HydrophobicContact SD-CD1 4.41Å; M481-Y487 HydrophobicContact SD-CD2 3.48Å; M481-Y487 WeakPolarHBondContact SD-CD2 3.47Å; M481-Y487 HydrophobicContact SD-CE1 4.49Å; M481-Y487 HydrophobicContact SD-CE2 3.57Å; M481-Y487 VanDerWaalsContact SD-CE2 3.57Å; M481-Y487 HydrophobicContact SD-CG 3.93Å; T484-Y487 WeakPolarHBondContact OG1-CD2 3.44Å
488	T	86.9	Confident	87.3	Confident	77 Å²	77	71.2 Å²	71.2	47%	0.472	36%	0.362	S	S	.	.			trans	-72.9	158.5	170.1	64.6	0	0	0	0	110.7	Q491 I492	T488-Q491 WeakPolarHBondContact O-CB 3.33Å; T488-Q491 PolarHBondContact O-N 2.93Å; T488-Q491 VanDerWaalsContact O-N 3.1Å; T488-Q491 VanDerWaalsContact OG1-CD 3.31Å; T488-Q491 WeakPolarHBondContact OG1-CG 3.34Å; T488-Q491 PolarHBondContact OG1-OE1 3.48Å; T488-I492 WeakPolarHBondContact O-CG1 3.31Å; T488-I492 PolarHBondContact O-N 2.94Å; T488-I492 VanDerWaalsContact O-N 3.09Å
489	K	88.1	Confident	87.5	Confident	151 Å²	151	69.8 Å²	69.8	66%	0.657	36%	0.355	S	S	*	.	H	α-helix	trans	-54.9	-45.3	179.5	-167.8	-169.8	170.8	-164.5	0	113	Q491 I492 D493	K489-Q491 VanDerWaalsContact C-N 3.32Å; K489-Q491 PolarHBondContact O-N 2.96Å; K489-I492 PolarHBondContact O-N 3.16Å; K489-I492 VanDerWaalsContact O-N 3.14Å; K489-D493 WeakPolarHBondContact CE-OD2 3.16Å; K489-D493 VanDerWaalsContact O-CG 3.28Å; K489-D493 PolarHBondContact O-N 3.43Å
490	P	88.8	Confident	87.7	Confident	94 Å²	94	68.1 Å²	68.1	61%	0.61	35%	0.352	S	S	*	.	H	α-helix	trans	-61.2	-34.7	176.4	-25	36.3	0	0	0	114.3	L494	P490-L494 VanDerWaalsContact O-CB 3.22Å; P490-L494 WeakPolarHBondContact O-CB 3.34Å; P490-L494 PolarHBondContact O-N 3.29Å
491	Q	86.9	Confident	87.9	Confident	44 Å²	44	67.7 Å²	67.7	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-39.3	174.7	-74.3	162.8	-43.2	0	0	111.6	T488 K489 A495	T488-Q491 WeakPolarHBondContact O-CB 3.33Å; T488-Q491 PolarHBondContact O-N 2.93Å; T488-Q491 VanDerWaalsContact O-N 3.1Å; T488-Q491 VanDerWaalsContact OG1-CD 3.31Å; T488-Q491 WeakPolarHBondContact OG1-CG 3.34Å; T488-Q491 PolarHBondContact OG1-OE1 3.48Å; K489-Q491 VanDerWaalsContact C-N 3.32Å; K489-Q491 PolarHBondContact O-N 2.96Å; Q491-A495 VanDerWaalsContact O-CB 3.32Å; Q491-A495 WeakPolarHBondContact O-CB 3.5Å; Q491-A495 PolarHBondContact O-N 3.31Å
492	I	90	Very high	88.1	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.036	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-47	175.5	-60.7	175.4	0	0	0	110.6	I478 M481 K482 T488 K489 L494 A495 V496	I478-I492 HydrophobicContact CG1-CG2 4.49Å; M481-I492 HydrophobicContact CB-CD1 4.17Å; M481-I492 HydrophobicContact CB-CG1 4.13Å; M481-I492 HydrophobicContact CB-CG2 4.35Å; M481-I492 HydrophobicContact CE-CB 4.47Å; M481-I492 HydrophobicContact CE-CG1 4.28Å; K482-I492 HydrophobicContact CG-CD1 3.85Å; T488-I492 WeakPolarHBondContact O-CG1 3.31Å; T488-I492 PolarHBondContact O-N 2.94Å; T488-I492 VanDerWaalsContact O-N 3.09Å; K489-I492 PolarHBondContact O-N 3.16Å; K489-I492 VanDerWaalsContact O-N 3.14Å; I492-L494 PolarHBondContact O-N 3.19Å; I492-A495 PolarHBondContact O-N 3.15Å; I492-V496 VanDerWaalsContact O-CG2 3.29Å; I492-V496 WeakPolarHBondContact O-CG2 3.43Å; I492-V496 PolarHBondContact O-N 3.25Å
493	D	90.4	Very high	88.1	Confident	82 Å²	82	64 Å²	64	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-40.2	-179.5	-62.5	-20.8	0	0	0	110.8	K489 V496 Q497	K489-D493 WeakPolarHBondContact CE-OD2 3.16Å; K489-D493 VanDerWaalsContact O-CG 3.28Å; K489-D493 PolarHBondContact O-N 3.43Å; D493-V496 PolarHBondContact O-N 3.28Å; D493-Q497 WeakPolarHBondContact O-CB 3.46Å; D493-Q497 PolarHBondContact O-N 3.26Å
494	L	89.8	Confident	88.4	Confident	60 Å²	60	65.3 Å²	65.3	31%	0.314	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-47.2	173.5	176	63.4	0	0	0	113	P490 I492 V496 Q497 R498	P490-L494 VanDerWaalsContact O-CB 3.22Å; P490-L494 WeakPolarHBondContact O-CB 3.34Å; P490-L494 PolarHBondContact O-N 3.29Å; I492-L494 PolarHBondContact O-N 3.19Å; L494-V496 VanDerWaalsContact C-N 3.29Å; L494-V496 PolarHBondContact O-N 3.29Å; L494-Q497 PolarHBondContact O-N 3.04Å; L494-R498 HydrophobicContact CD1-CG 4.4Å; L494-R498 WeakPolarHBondContact O-CG 3.47Å; L494-R498 PolarHBondContact O-N 3.08Å
495	A	88.8	Confident	88.9	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-37.7	179.9	0	0	0	0	0	111.7	E360 F477 M481 Q491 I492 R498 V499	E360-A495 HydrophobicContact CB-CB 4.26Å; F477-A495 HydrophobicContact CZ-CB 4.37Å; M481-A495 HydrophobicContact CE-CB 3.41Å; M481-A495 VanDerWaalsContact CE-CB 3.41Å; Q491-A495 VanDerWaalsContact O-CB 3.32Å; Q491-A495 WeakPolarHBondContact O-CB 3.5Å; Q491-A495 PolarHBondContact O-N 3.31Å; I492-A495 PolarHBondContact O-N 3.15Å; A495-R498 PolarHBondContact O-N 3.38Å; A495-V499 PolarHBondContact O-N 2.68Å
496	V	91.5	Very high	89.4	Confident	33 Å²	33	58.7 Å²	58.7	20%	0.2	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-45.9	173.4	172.4	0	0	0	0	111.4	I474 F477 I478 I492 D493 L494 R498 V499	I474-V496 HydrophobicContact CG2-CG1 3.86Å; I474-V496 HydrophobicContact CG2-CG2 4.47Å; F477-V496 HydrophobicContact CD1-CG2 4.13Å; F477-V496 HydrophobicContact CE1-CG2 3.98Å; I478-V496 HydrophobicContact CD1-CG1 4.44Å; I478-V496 HydrophobicContact CD1-CG2 3.82Å; I478-V496 HydrophobicContact CG1-CG2 3.53Å; I492-V496 VanDerWaalsContact O-CG2 3.29Å; I492-V496 WeakPolarHBondContact O-CG2 3.43Å; I492-V496 PolarHBondContact O-N 3.25Å; D493-V496 PolarHBondContact O-N 3.28Å; L494-V496 VanDerWaalsContact C-N 3.29Å; L494-V496 PolarHBondContact O-N 3.29Å; V496-R498 PolarHBondContact O-N 3.37Å; V496-R498 VanDerWaalsContact O-N 3.15Å; V496-V499 PolarHBondContact O-N 2.96Å; V496-V499 VanDerWaalsContact O-N 3.1Å
497	Q	91.4	Very high	89.7	Confident	152 Å²	152	60 Å²	60	71%	0.71	31%	0.309	S	S	*	.	H	α-helix	trans	-58.8	-26.4	176.6	-172.7	-179.8	3.5	0	0	112.7	D493 L494 P500	D493-Q497 WeakPolarHBondContact O-CB 3.46Å; D493-Q497 PolarHBondContact O-N 3.26Å; L494-Q497 PolarHBondContact O-N 3.04Å; Q497-P500 WeakPolarHBondContact O-CD 3.49Å
498	R	90.8	Very high	89.9	Confident	31 Å²	31	63.9 Å²	63.9	12%	0.117	33%	0.329	C	S	.	.	H	α-helix	trans	-85.6	-14.1	177.9	-71.9	171.8	60.4	93.4	-8.3	114.9	E450 E452 L494 A495 V496 L501 Y502	E450-R498 IonicContact OE2-NH2 3.93Å; E452-R498 VanDerWaalsContact CD-NH2 3.28Å; E452-R498 IonicContact OE1-CZ 3.14Å; E452-R498 VanDerWaalsContact OE1-CZ 3.27Å; E452-R498 IonicContact OE1-NH1 2.86Å; E452-R498 PolarHBondContact OE1-NH1 2.79Å; E452-R498 IonicContact OE1-NH2 3.21Å; E452-R498 PolarHBondContact OE1-NH2 2.84Å; E452-R498 IonicContact OE2-CZ 2.97Å; E452-R498 IonicContact OE2-NH1 3.86Å; E452-R498 IonicContact OE2-NH2 2.68Å; E452-R498 PolarHBondContact OE2-NH2 2.99Å; L494-R498 HydrophobicContact CD1-CG 4.4Å; L494-R498 WeakPolarHBondContact O-CG 3.47Å; L494-R498 PolarHBondContact O-N 3.08Å; A495-R498 PolarHBondContact O-N 3.38Å; V496-R498 PolarHBondContact O-N 3.37Å; V496-R498 VanDerWaalsContact O-N 3.15Å; R498-L501 WeakPolarHBondContact O-CB 3.28Å; R498-L501 PolarHBondContact O-N 2.98Å; R498-Y502 WeakPolarHBondContact O-CD2 3.26Å; R498-Y502 PolarHBondContact O-N 3.33Å
499	V	91.8	Very high	89.9	Confident	10 Å²	10	64.5 Å²	64.5	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-56.3	-45.5	178.1	-176.2	0	0	0	0	112.4	P359 I470 P471 F477 A495 V496 L501 Y502 S503	P359-V499 HydrophobicContact CG-CG2 3.97Å; I470-V499 HydrophobicContact CG1-CG1 4.19Å; P471-V499 HydrophobicContact CG-CG1 3.95Å; P471-V499 HydrophobicContact CG-CG2 3.74Å; F477-V499 HydrophobicContact CE1-CG2 4.3Å; A495-V499 PolarHBondContact O-N 2.68Å; V496-V499 PolarHBondContact O-N 2.96Å; V496-V499 VanDerWaalsContact O-N 3.1Å; V499-L501 VanDerWaalsContact C-N 3.28Å; V499-L501 PolarHBondContact O-N 3.48Å; V499-Y502 PolarHBondContact O-N 2.96Å; V499-S503 PolarHBondContact O-N 2.85Å
500	P	92.3	Very high	89.6	Confident	80 Å²	80	66.9 Å²	66.9	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-28.6	175.8	-23	35.6	0	0	0	114	Q497 S503 K504	Q497-P500 WeakPolarHBondContact O-CD 3.49Å; P500-S503 PolarHBondContact O-N 2.83Å; P500-K504 WeakPolarHBondContact O-CB 3.43Å; P500-K504 PolarHBondContact O-N 2.64Å
501	L	90.7	Very high	89.3	Confident	57 Å²	57	65.6 Å²	65.6	30%	0.298	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-40.5	177.3	-178.2	64.7	0	0	0	111.3	M317 L451 R498 V499 T505	M317-L501 HydrophobicContact CE-CD1 4.1Å; M317-L501 HydrophobicContact CE-CD2 4.37Å; M317-L501 HydrophobicContact CE-CG 4.49Å; L451-L501 HydrophobicContact CD2-CD2 4.01Å; L451-L501 HydrophobicContact CD2-CG 3.86Å; R498-L501 WeakPolarHBondContact O-CB 3.28Å; R498-L501 PolarHBondContact O-N 2.98Å; V499-L501 VanDerWaalsContact C-N 3.28Å; V499-L501 PolarHBondContact O-N 3.48Å; L501-T505 WeakPolarHBondContact O-CB 3.43Å; L501-T505 PolarHBondContact O-N 3.22Å; L501-T505 PolarHBondContact O-OG1 2.92Å
502	Y	90.9	Very high	89.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-45.4	174.1	-78	-79.5	0	0	0	111.9	G358 P359 E450 L451 L468 R498 V499 T505 N506	G358-Y502 PolarHBondContact O-OH 3.34Å; P359-Y502 HydrophobicContact CB-CE2 4.27Å; P359-Y502 HydrophobicContact CG-CD2 3.71Å; P359-Y502 HydrophobicContact CG-CE2 3.9Å; E450-Y502 WeakPolarHBondContact CA-OH 3.25Å; E450-Y502 PolarHBondContact OE2-OH 3.09Å; L451-Y502 HydrophobicContact CB-CD1 4.4Å; L451-Y502 HydrophobicContact CB-CE1 3.64Å; L451-Y502 HydrophobicContact CD1-CD1 4.08Å; L451-Y502 HydrophobicContact CD1-CE1 3.97Å; L451-Y502 HydrophobicContact CD2-CD1 4.48Å; L451-Y502 HydrophobicContact CD2-CE1 4.49Å; L451-Y502 HydrophobicContact CG-CE1 4.24Å; L451-Y502 PolarHBondContact N-OH 2.79Å; L468-Y502 HydrophobicContact CD1-CD1 3.63Å; L468-Y502 HydrophobicContact CD1-CE1 4.36Å; L468-Y502 HydrophobicContact CD1-CG 4.25Å; R498-Y502 WeakPolarHBondContact O-CD2 3.26Å; R498-Y502 PolarHBondContact O-N 3.33Å; V499-Y502 PolarHBondContact O-N 2.96Å; Y502-T505 PolarHBondContact O-N 2.75Å; Y502-N506 PolarHBondContact O-N 3.11Å
503	S	89.7	Confident	89.4	Confident	42 Å²	42	64.6 Å²	64.6	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-53.3	176.7	-158.8	0	0	0	0	111.4	V499 P500 T505 N506 E507	V499-S503 PolarHBondContact O-N 2.85Å; P500-S503 PolarHBondContact O-N 2.83Å; S503-T505 VanDerWaalsContact C-N 3.29Å; S503-T505 PolarHBondContact O-N 2.62Å; S503-N506 WeakPolarHBondContact O-CA 3.3Å; S503-N506 WeakPolarHBondContact O-CB 3.4Å; S503-N506 PolarHBondContact O-N 2.77Å; S503-E507 VanDerWaalsContact CB-OE1 3.32Å; S503-E507 WeakPolarHBondContact CB-OE1 3.31Å; S503-E507 WeakPolarHBondContact O-CG 3.3Å; S503-E507 PolarHBondContact O-N 3.14Å; S503-E507 PolarHBondContact OG-OE1 3.02Å
504	K	91.3	Very high	89.4	Confident	108 Å²	108	63.3 Å²	63.3	47%	0.47	33%	0.325	S	S	.	.	H	α-helix	trans	-55.7	-41.6	178.3	-178.5	176.2	178.3	-178	0	112.4	P500 N506 E507 E508	P500-K504 WeakPolarHBondContact O-CB 3.43Å; P500-K504 PolarHBondContact O-N 2.64Å; K504-N506 VanDerWaalsContact C-N 3.32Å; K504-N506 PolarHBondContact O-N 2.92Å; K504-E507 PolarHBondContact O-N 3.46Å; K504-E508 WeakPolarHBondContact CE-OE1 3.23Å; K504-E508 VanDerWaalsContact CE-OE2 3.25Å; K504-E508 WeakPolarHBondContact CE-OE2 3.41Å; K504-E508 HydrophobicContact CG-CG 4.14Å; K504-E508 IonicContact NZ-OE1 2.89Å; K504-E508 PolarHBondContact NZ-OE1 2.82Å; K504-E508 WeakPolarHBondContact O-CB 3.31Å; K504-E508 WeakPolarHBondContact O-CG 3.44Å; K504-E508 PolarHBondContact O-N 2.82Å
505	T	89.3	Confident	89.4	Confident	6 Å²	6	63.3 Å²	63.3	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-37.7	177.7	-56.7	0	0	0	0	111.9	L451 F455 L501 Y502 S503 R509 F512 F513	L451-T505 HydrophobicContact CD1-CG2 4.34Å; F455-T505 HydrophobicContact CE2-CG2 4.18Å; F455-T505 HydrophobicContact CZ-CG2 4.13Å; L501-T505 WeakPolarHBondContact O-CB 3.43Å; L501-T505 PolarHBondContact O-N 3.22Å; L501-T505 PolarHBondContact O-OG1 2.92Å; Y502-T505 PolarHBondContact O-N 2.75Å; S503-T505 VanDerWaalsContact C-N 3.29Å; S503-T505 PolarHBondContact O-N 2.62Å; T505-R509 VanDerWaalsContact O-CB 3.3Å; T505-R509 WeakPolarHBondContact O-CB 3.27Å; T505-R509 PolarHBondContact O-N 3.16Å; T505-R509 VanDerWaalsContact O-N 3.13Å; T505-F512 HydrophobicContact CG2-CD1 4.04Å; T505-F512 HydrophobicContact CG2-CE1 4.06Å; T505-F512 HydrophobicContact CG2-CG 4.44Å; T505-F512 HydrophobicContact CG2-CZ 4.48Å; T505-F513 HydrophobicContact CG2-CE2 4.36Å; T505-F513 HydrophobicContact CG2-CZ 4.43Å
506	N	90.6	Very high	89.5	Confident	52 Å²	52	66.4 Å²	66.4	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-70.2	-38.6	175.4	-176.2	62.4	0	0	0	112.4	L468 Y502 S503 K504 F513	L468-N506 HydrophobicContact CD2-CB 4.27Å; Y502-N506 PolarHBondContact O-N 3.11Å; S503-N506 WeakPolarHBondContact O-CA 3.3Å; S503-N506 WeakPolarHBondContact O-CB 3.4Å; S503-N506 PolarHBondContact O-N 2.77Å; K504-N506 VanDerWaalsContact C-N 3.32Å; K504-N506 PolarHBondContact O-N 2.92Å; N506-F513 HydrophobicContact CB-CD2 3.83Å; N506-F513 HydrophobicContact CB-CE2 3.91Å; N506-F513 WeakPolarHBondContact OD1-CD2 3.45Å
507	E	88.9	Confident	89.6	Confident	125 Å²	125	65 Å²	65	58%	0.584	34%	0.336	S	S	*	.	H	α-helix	trans	-69.4	-46.3	178.9	-69.3	160.8	-127.7	0	0	112.5	S503 K504	S503-E507 VanDerWaalsContact CB-OE1 3.32Å; S503-E507 WeakPolarHBondContact CB-OE1 3.31Å; S503-E507 WeakPolarHBondContact O-CG 3.3Å; S503-E507 PolarHBondContact O-N 3.14Å; S503-E507 PolarHBondContact OG-OE1 3.02Å; K504-E507 PolarHBondContact O-N 3.46Å
508	E	89.5	Confident	89.6	Confident	129 Å²	129	60.1 Å²	60.1	60%	0.603	32%	0.318	S	S	*	.	H	α-helix	trans	-73.7	-27.8	179.8	-70	-177.6	150.7	0	0	112.7	K504	K504-E508 WeakPolarHBondContact CE-OE1 3.23Å; K504-E508 VanDerWaalsContact CE-OE2 3.25Å; K504-E508 WeakPolarHBondContact CE-OE2 3.41Å; K504-E508 HydrophobicContact CG-CG 4.14Å; K504-E508 IonicContact NZ-OE1 2.89Å; K504-E508 PolarHBondContact NZ-OE1 2.82Å; K504-E508 WeakPolarHBondContact O-CB 3.31Å; K504-E508 WeakPolarHBondContact O-CG 3.44Å; K504-E508 PolarHBondContact O-N 2.82Å
509	R	85.4	Confident	89.6	Confident	90 Å²	90	59.8 Å²	59.8	34%	0.34	32%	0.321	S	S	.	.	S	Bend	trans	-124.6	77	-174	-51.3	-175.6	-176.1	-151.9	-2	111.8	D318 F455 T505 G511 F512	D318-R509 IonicContact OD1-CZ 3.77Å; D318-R509 IonicContact OD1-NH1 3.92Å; D318-R509 PolarHBondContact OD1-NH1 3.06Å; D318-R509 IonicContact OD1-NH2 2.75Å; D318-R509 IonicContact OD2-CZ 3.25Å; D318-R509 IonicContact OD2-NH1 3.27Å; D318-R509 PolarHBondContact OD2-NH1 3.15Å; D318-R509 IonicContact OD2-NH2 3.5Å; D318-R509 PolarHBondContact OD2-NH2 3.24Å; F455-R509 VanDerWaalsContact CE1-NH1 3.31Å; T505-R509 VanDerWaalsContact O-CB 3.3Å; T505-R509 WeakPolarHBondContact O-CB 3.27Å; T505-R509 PolarHBondContact O-N 3.16Å; T505-R509 VanDerWaalsContact O-N 3.13Å; R509-G511 PolarHBondContact O-N 3.35Å; R509-F512 HydrophobicContact CB-CB 3.65Å; R509-F512 HydrophobicContact CB-CD2 4.32Å; R509-F512 HydrophobicContact CB-CG 4.24Å; R509-F512 WeakPolarHBondContact O-CB 3.28Å; R509-F512 PolarHBondContact O-N 3.49Å
510	K	82.1	Confident	89.4	Confident	201 Å²	201	61.7 Å²	61.7	87%	0.874	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	128	172.4	-63.5	-174.4	179.4	-176.6	0	110.7	F512	K510-F512 VanDerWaalsContact C-N 3.34Å
511	G	83	Confident	89.2	Confident	68 Å²	68	61.4 Å²	61.4	70%	0.701	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	7.6	-176.4	0	0	0	0	0	115.4	R509	R509-G511 PolarHBondContact O-N 3.35Å
512	F	87.2	Confident	89.1	Confident	20 Å²	20	61.1 Å²	61.1	9%	0.088	32%	0.32	C	S	.	.	S	Bend	trans	-70.2	-34.7	172	-172.8	-87.2	0	0	0	112.2	L451 I454 F455 K458 T505 R509 K510	L451-F512 HydrophobicContact CD1-CE1 4.27Å; I454-F512 HydrophobicContact CG2-CE1 3.71Å; I454-F512 HydrophobicContact CG2-CZ 3.72Å; F455-F512 HydrophobicContact CD2-CE1 4.43Å; F455-F512 HydrophobicContact CD2-CE2 4.39Å; F455-F512 AromaticContact CD2-CZ 3.6Å; F455-F512 HydrophobicContact CD2-CZ 3.6Å; F455-F512 HydrophobicContact CE2-CE1 4.06Å; F455-F512 HydrophobicContact CE2-CE2 4.11Å; F455-F512 AromaticContact CE2-CZ 3.41Å; F455-F512 HydrophobicContact CE2-CZ 3.41Å; F455-F512 VanDerWaalsContact CE2-CZ 3.41Å; F455-F512 HydrophobicContact CG-CZ 4.26Å; F455-F512 HydrophobicContact CZ-CE2 4.19Å; F455-F512 AromaticContact CZ-CZ 3.94Å; F455-F512 HydrophobicContact CZ-CZ 3.94Å; K458-F512 HydrophobicContact CD-CD2 4.06Å; K458-F512 HydrophobicContact CD-CE2 3.62Å; K458-F512 HydrophobicContact CD-CZ 3.9Å; K458-F512 WeakPolarHBondContact CE-O 3.44Å; K458-F512 PolarHBondContact NZ-O 3.45Å; T505-F512 HydrophobicContact CG2-CD1 4.04Å; T505-F512 HydrophobicContact CG2-CE1 4.06Å; T505-F512 HydrophobicContact CG2-CG 4.44Å; T505-F512 HydrophobicContact CG2-CZ 4.48Å; R509-F512 HydrophobicContact CB-CB 3.65Å; R509-F512 HydrophobicContact CB-CD2 4.32Å; R509-F512 HydrophobicContact CB-CG 4.24Å; R509-F512 WeakPolarHBondContact O-CB 3.28Å; R509-F512 PolarHBondContact O-N 3.49Å; K510-F512 VanDerWaalsContact C-N 3.34Å
513	F	91.8	Very high	89	Confident	9 Å²	9	65 Å²	65	4%	0.039	34%	0.341	C	S	.	.	S	Bend	trans	-109.6	142.8	165.9	-51.9	-71	0	0	0	108.7	T357 L451 I454 L468 T505 N506	T357-F513 HydrophobicContact CG2-CD1 4.07Å; T357-F513 HydrophobicContact CG2-CE1 3.67Å; L451-F513 HydrophobicContact CD1-CE1 4.43Å; L451-F513 HydrophobicContact CD1-CZ 3.89Å; I454-F513 HydrophobicContact CD1-CE1 3.78Å; L468-F513 HydrophobicContact CB-CB 4.24Å; L468-F513 HydrophobicContact CB-CD1 3.99Å; L468-F513 HydrophobicContact CB-CD2 4.21Å; L468-F513 HydrophobicContact CB-CE1 4.42Å; L468-F513 HydrophobicContact CB-CG 3.87Å; L468-F513 HydrophobicContact CD1-CZ 4.4Å; L468-F513 HydrophobicContact CD2-CD2 3.85Å; L468-F513 HydrophobicContact CD2-CE2 3.82Å; L468-F513 HydrophobicContact CD2-CG 4.38Å; L468-F513 HydrophobicContact CD2-CZ 4.35Å; T505-F513 HydrophobicContact CG2-CE2 4.36Å; T505-F513 HydrophobicContact CG2-CZ 4.43Å; N506-F513 HydrophobicContact CB-CD2 3.83Å; N506-F513 HydrophobicContact CB-CE2 3.91Å; N506-F513 WeakPolarHBondContact OD1-CD2 3.45Å
514	D	90.1	Very high	89.1	Confident	55 Å²	55	67.3 Å²	67.3	29%	0.294	35%	0.347	S	S	.	.	S	Bend	trans	-78.7	-31.3	177.6	-62.3	-101.2	0	0	0	111.5	R465 Y466	R465-D514 WeakPolarHBondContact CA-OD2 3.29Å; R465-D514 WeakPolarHBondContact CD-OD1 3.43Å; R465-D514 IonicContact CZ-OD1 3.66Å; R465-D514 IonicContact NE-OD1 3.78Å; R465-D514 IonicContact NH1-OD1 2.74Å; R465-D514 PolarHBondContact NH1-OD1 2.79Å; Y466-D514 PolarHBondContact N-OD2 3.24Å; Y466-D514 PolarHBondContact O-N 3.31Å
515	N	90.3	Very high	89.1	Confident	60 Å²	60	62.3 Å²	62.3	32%	0.321	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	157.2	-178.6	-100.6	-71.9	0	0	0	111.7	I467 L468 I532 Y536	I467-N515 WeakPolarHBondContact CA-O 3.21Å; I467-N515 HydrophobicContact CG1-CB 4.24Å; L468-N515 PolarHBondContact N-O 2.99Å; N515-I532 HydrophobicContact CB-CD1 3.9Å; N515-I532 HydrophobicContact CB-CG2 4.48Å; N515-Y536 PolarHBondContact ND2-OH 3.16Å; N515-Y536 VanDerWaalsContact ND2-OH 3.17Å
516	V	91.5	Very high	89.3	Confident	66 Å²	66	62.2 Å²	62.2	40%	0.4	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.8	178.9	-172.5	0	0	0	0	110.1	L468 I470	L468-V516 HydrophobicContact CB-CG1 4.43Å; L468-V516 HydrophobicContact CB-CG2 4.33Å; L468-V516 HydrophobicContact CD2-CG1 4.23Å; L468-V516 HydrophobicContact CD2-CG2 4.34Å; L468-V516 HydrophobicContact CG-CG1 4.32Å; L468-V516 CarbonylContact O-C 3.6Å; L468-V516 WeakPolarHBondContact O-CA 3.26Å; I470-V516 HydrophobicContact CG2-CG1 3.79Å
517	I	93.3	Very high	89.3	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.3	-178.2	-57.8	-179.8	0	0	0	108.9	I467 L468 L469 I470 A525 T528 L529 I532	I467-I517 HydrophobicContact CG2-CD1 3.54Å; I467-I517 HydrophobicContact CG2-CG1 3.84Å; L468-I517 PolarHBondContact O-N 3.16Å; L469-I517 WeakPolarHBondContact CA-O 3.42Å; L469-I517 HydrophobicContact CD2-CB 3.95Å; L469-I517 HydrophobicContact CD2-CG2 3.9Å; I470-I517 PolarHBondContact N-O 2.96Å; I517-A525 HydrophobicContact CG2-CB 3.8Å; I517-T528 HydrophobicContact CD1-CG2 4.45Å; I517-T528 HydrophobicContact CG1-CG2 4.11Å; I517-T528 HydrophobicContact CG2-CG2 4.47Å; I517-L529 HydrophobicContact CD1-CB 3.96Å; I517-L529 HydrophobicContact CD1-CD1 4.28Å; I517-I532 HydrophobicContact CD1-CD1 3.83Å; I517-I532 HydrophobicContact CG1-CD1 3.9Å
518	S	91.5	Very high	89.4	Confident	49 Å²	49	61.6 Å²	61.6	34%	0.343	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.2	171.4	175.4	0	0	0	0	110.8	I470 T472 D520 A525	I470-S518 WeakPolarHBondContact O-CA 3.21Å; T472-S518 PolarHBondContact OG1-OG 3.47Å; S518-D520 VanDerWaalsContact C-N 3.33Å; S518-D520 PolarHBondContact OG-N 2.85Å; S518-A525 WeakPolarHBondContact O-CB 3.45Å
519	S	89.6	Confident	89.5	Confident	25 Å²	25	55.5 Å²	55.5	18%	0.175	29%	0.289	C	S	.	.			trans	-90.4	11.2	176.1	77.5	0	0	0	0	114	I470 P471 N521	I470-S519 PolarHBondContact O-N 2.84Å; P471-S519 VanDerWaalsContact CA-OG 3.3Å; P471-S519 WeakPolarHBondContact CA-OG 3.5Å; P471-S519 WeakPolarHBondContact CB-OG 3.34Å; S519-N521 VanDerWaalsContact C-N 3.3Å; S519-N521 PolarHBondContact O-N 3.31Å
520	D	87.7	Confident	89.7	Confident	49 Å²	49	52.3 Å²	52.3	26%	0.262	28%	0.279	S	S	.	.	S	Bend	trans	-68.6	-26.2	-176	-79.2	8.1	0	0	0	113.6	T472 A473 S518	T472-D520 PolarHBondContact N-OD1 3.13Å; T472-D520 PolarHBondContact OG1-OD1 2.86Å; T472-D520 PolarHBondContact OG1-OD2 3.15Å; A473-D520 WeakPolarHBondContact CB-OD2 3.35Å; A473-D520 PolarHBondContact N-OD1 3.1Å; A473-D520 PolarHBondContact N-OD2 3.05Å; A473-D520 VanDerWaalsContact N-OD2 3.07Å; S518-D520 VanDerWaalsContact C-N 3.33Å; S518-D520 PolarHBondContact OG-N 2.85Å
521	N	88.7	Confident	89.9	Confident	74 Å²	74	47.7 Å²	47.7	40%	0.396	26%	0.26	S	S	.	.			trans	-140.5	120.4	-176.9	177.9	9	0	0	0	110.4	S519 E524 A525	S519-N521 VanDerWaalsContact C-N 3.3Å; S519-N521 PolarHBondContact O-N 3.31Å; N521-E524 HydrophobicContact CB-CB 3.87Å; N521-E524 WeakPolarHBondContact ND2-CB 3.49Å; N521-E524 PolarHBondContact ND2-OE2 2.9Å; N521-E524 PolarHBondContact O-N 3.15Å; N521-A525 WeakPolarHBondContact O-CB 3.28Å; N521-A525 PolarHBondContact O-N 3.02Å
522	Y	88.4	Confident	90.1	Very high	51 Å²	51	45.1 Å²	45.1	20%	0.2	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-42.7	-169.5	176.5	-105.4	0	0	0	114	R363 D366 L367 R370 E524 Y526	R363-Y522 HydrophobicContact CB-CD2 4.41Å; R363-Y522 VanDerWaalsContact NH1-CD2 3.31Å; D366-Y522 HydrophobicContact CB-CE2 3.84Å; D366-Y522 PolarHBondContact O-OH 3Å; L367-Y522 HydrophobicContact CD2-CD2 3.88Å; L367-Y522 HydrophobicContact CD2-CE2 3.56Å; L367-Y522 HydrophobicContact CG-CD2 4.31Å; L367-Y522 HydrophobicContact CG-CE2 3.89Å; R370-Y522 VanDerWaalsContact NH1-CE1 3.25Å; Y522-E524 VanDerWaalsContact C-N 3.3Å; Y522-Y526 WeakPolarHBondContact O-CB 3.39Å; Y522-Y526 PolarHBondContact O-N 2.98Å
523	D	90.1	Very high	90	Very high	81 Å²	81	44.7 Å²	44.7	43%	0.433	23%	0.23	S	C	.	.	H	α-helix	trans	-78.1	-18.4	-178.8	-71.3	-76	0	0	0	112.7	R370 R527	R370-D523 IonicContact CZ-OD1 3.25Å; R370-D523 VanDerWaalsContact CZ-OD1 3.31Å; R370-D523 IonicContact NH1-OD1 3.31Å; R370-D523 PolarHBondContact NH1-OD1 3.41Å; R370-D523 IonicContact NH2-OD1 2.97Å; R370-D523 PolarHBondContact NH2-OD1 2.97Å; D523-R527 WeakPolarHBondContact O-CG 3.24Å; D523-R527 PolarHBondContact O-N 2.88Å; D523-R527 VanDerWaalsContact O-N 3.16Å
524	E	91.3	Very high	89.5	Confident	91 Å²	91	49.4 Å²	49.4	43%	0.425	25%	0.25	S	S	.	.	H	α-helix	trans	-83.7	-44.4	173	179	151.7	-124.6	0	0	112.1	N521 Y522 Y526 R527 T528	N521-E524 HydrophobicContact CB-CB 3.87Å; N521-E524 WeakPolarHBondContact ND2-CB 3.49Å; N521-E524 PolarHBondContact ND2-OE2 2.9Å; N521-E524 PolarHBondContact O-N 3.15Å; Y522-E524 VanDerWaalsContact C-N 3.3Å; E524-Y526 PolarHBondContact O-N 2.86Å; E524-R527 PolarHBondContact O-N 3.25Å; E524-R527 IonicContact OE1-NH2 3.27Å; E524-R527 PolarHBondContact OE1-NH2 2.9Å; E524-T528 PolarHBondContact O-N 3.02Å; E524-T528 PolarHBondContact O-OG1 2.86Å
525	A	91	Very high	88.9	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-37.9	168.8	0	0	0	0	0	111.5	L367 L469 I517 S518 N521 L529	L367-A525 HydrophobicContact CD1-CB 4.46Å; L469-A525 HydrophobicContact CD2-CB 4.38Å; I517-A525 HydrophobicContact CG2-CB 3.8Å; S518-A525 WeakPolarHBondContact O-CB 3.45Å; N521-A525 WeakPolarHBondContact O-CB 3.28Å; N521-A525 PolarHBondContact O-N 3.02Å; A525-L529 VanDerWaalsContact O-CB 3.27Å; A525-L529 WeakPolarHBondContact O-CB 3.31Å; A525-L529 PolarHBondContact O-N 3.22Å
526	Y	92.4	Very high	87.9	Confident	5 Å²	5	50.3 Å²	50.3	2%	0.02	26%	0.255	C	S	.	.	H	α-helix	trans	-71.7	-40.1	176	-169.6	-110.5	0	0	0	113.6	L367 R370 L371 E374 Y522 E524 L529 L530	L367-Y526 HydrophobicContact CD2-CD2 3.89Å; L367-Y526 HydrophobicContact CD2-CG 4.32Å; R370-Y526 HydrophobicContact CB-CD2 4.26Å; R370-Y526 HydrophobicContact CB-CE2 3.74Å; R370-Y526 HydrophobicContact CG-CD1 4.44Å; R370-Y526 HydrophobicContact CG-CD2 4.21Å; R370-Y526 HydrophobicContact CG-CE1 3.91Å; R370-Y526 HydrophobicContact CG-CE2 3.67Å; R370-Y526 VanDerWaalsContact CG-CZ 3.5Å; L371-Y526 WeakPolarHBondContact CA-OH 3.38Å; L371-Y526 HydrophobicContact CB-CE2 4.3Å; L371-Y526 PolarHBondContact N-OH 2.92Å; E374-Y526 VanDerWaalsContact OE2-CE1 3.23Å; E374-Y526 WeakPolarHBondContact OE2-CE1 3.43Å; E374-Y526 VanDerWaalsContact OE2-CZ 3.3Å; E374-Y526 PolarHBondContact OE2-OH 2.97Å; Y522-Y526 WeakPolarHBondContact O-CB 3.39Å; Y522-Y526 PolarHBondContact O-N 2.98Å; E524-Y526 PolarHBondContact O-N 2.86Å; Y526-L529 HydrophobicContact CD2-CD2 4.31Å; Y526-L529 PolarHBondContact O-N 2.87Å; Y526-L530 HydrophobicContact CD1-CD1 3.96Å; Y526-L530 HydrophobicContact CD1-CG 4.28Å; Y526-L530 HydrophobicContact CE1-CD1 3.45Å; Y526-L530 VanDerWaalsContact CE1-CD1 3.45Å; Y526-L530 HydrophobicContact CE1-CD2 4.37Å; Y526-L530 HydrophobicContact CE1-CG 3.87Å; Y526-L530 HydrophobicContact CE2-CD2 4.48Å; Y526-L530 HydrophobicContact CE2-CG 4.4Å; Y526-L530 WeakPolarHBondContact O-CG 3.32Å; Y526-L530 PolarHBondContact O-N 2.94Å
527	R	92	Very high	86.6	Confident	121 Å²	121	50.3 Å²	50.3	46%	0.457	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-49.2	172.5	-79.2	-177.6	-62.1	106.2	-6	111.5	D523 E524 L529 L530 E531	D523-R527 WeakPolarHBondContact O-CG 3.24Å; D523-R527 PolarHBondContact O-N 2.88Å; D523-R527 VanDerWaalsContact O-N 3.16Å; E524-R527 PolarHBondContact O-N 3.25Å; E524-R527 IonicContact OE1-NH2 3.27Å; E524-R527 PolarHBondContact OE1-NH2 2.9Å; R527-L529 VanDerWaalsContact C-N 3.3Å; R527-L529 PolarHBondContact O-N 2.77Å; R527-L530 CarbonylContact O-C 3.47Å; R527-L530 WeakPolarHBondContact O-CB 3.47Å; R527-L530 PolarHBondContact O-N 3.17Å; R527-L530 VanDerWaalsContact O-N 3.08Å; R527-E531 WeakPolarHBondContact O-CG 3.16Å; R527-E531 PolarHBondContact O-N 3.1Å
528	T	91.3	Very high	84.9	Confident	42 Å²	42	56.8 Å²	56.8	26%	0.258	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-39.4	177.9	-45.5	0	0	0	0	111.5	I517 E524 E531 I532	I517-T528 HydrophobicContact CD1-CG2 4.45Å; I517-T528 HydrophobicContact CG1-CG2 4.11Å; I517-T528 HydrophobicContact CG2-CG2 4.47Å; E524-T528 PolarHBondContact O-N 3.02Å; E524-T528 PolarHBondContact O-OG1 2.86Å; T528-E531 PolarHBondContact O-N 3.12Å; T528-I532 HydrophobicContact CG2-CD1 4.07Å; T528-I532 WeakPolarHBondContact O-CD1 3.27Å; T528-I532 WeakPolarHBondContact O-CG1 3.25Å; T528-I532 PolarHBondContact O-N 3.18Å
529	L	91	Very high	82.9	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-43.1	173.6	179	63.2	0	0	0	112	L356 L367 I467 I517 A525 Y526 R527 V533	L356-L529 HydrophobicContact CD1-CD1 4.29Å; L356-L529 HydrophobicContact CD1-CD2 3.89Å; L356-L529 HydrophobicContact CD2-CD1 4.19Å; L367-L529 HydrophobicContact CB-CD2 4.15Å; I467-L529 HydrophobicContact CD1-CD1 3.72Å; I517-L529 HydrophobicContact CD1-CB 3.96Å; I517-L529 HydrophobicContact CD1-CD1 4.28Å; A525-L529 VanDerWaalsContact O-CB 3.27Å; A525-L529 WeakPolarHBondContact O-CB 3.31Å; A525-L529 PolarHBondContact O-N 3.22Å; Y526-L529 HydrophobicContact CD2-CD2 4.31Å; Y526-L529 PolarHBondContact O-N 2.87Å; R527-L529 VanDerWaalsContact C-N 3.3Å; R527-L529 PolarHBondContact O-N 2.77Å; L529-V533 HydrophobicContact CD1-CG2 4.31Å; L529-V533 WeakPolarHBondContact O-CB 3.17Å; L529-V533 VanDerWaalsContact O-CG2 3.26Å; L529-V533 WeakPolarHBondContact O-CG2 3.38Å; L529-V533 PolarHBondContact O-N 2.7Å
530	L	89.1	Confident	80.7	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.12	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-36.8	175.3	-73.6	-177.6	0	0	0	112.5	L371 F375 Y526 R527 V533 K534	L371-L530 HydrophobicContact CD1-CD2 3.69Å; F375-L530 HydrophobicContact CD2-CD2 4.14Å; F375-L530 HydrophobicContact CE2-CD2 3.53Å; F375-L530 HydrophobicContact CZ-CD2 4.29Å; Y526-L530 HydrophobicContact CD1-CD1 3.96Å; Y526-L530 HydrophobicContact CD1-CG 4.28Å; Y526-L530 HydrophobicContact CE1-CD1 3.45Å; Y526-L530 VanDerWaalsContact CE1-CD1 3.45Å; Y526-L530 HydrophobicContact CE1-CD2 4.37Å; Y526-L530 HydrophobicContact CE1-CG 3.87Å; Y526-L530 HydrophobicContact CE2-CD2 4.48Å; Y526-L530 HydrophobicContact CE2-CG 4.4Å; Y526-L530 WeakPolarHBondContact O-CG 3.32Å; Y526-L530 PolarHBondContact O-N 2.94Å; R527-L530 CarbonylContact O-C 3.47Å; R527-L530 WeakPolarHBondContact O-CB 3.47Å; R527-L530 PolarHBondContact O-N 3.17Å; R527-L530 VanDerWaalsContact O-N 3.08Å; L530-V533 PolarHBondContact O-N 3.13Å; L530-K534 VanDerWaalsContact O-CB 3.29Å; L530-K534 WeakPolarHBondContact O-CB 3.28Å; L530-K534 WeakPolarHBondContact O-CG 3.45Å; L530-K534 PolarHBondContact O-N 3.47Å
531	E	87.2	Confident	78.3	Confident	104 Å²	104	66.3 Å²	66.3	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-49.1	174.8	-71.9	152.2	-158.7	0	0	110.4	R527 T528 V533 K534 V535	R527-E531 WeakPolarHBondContact O-CG 3.16Å; R527-E531 PolarHBondContact O-N 3.1Å; T528-E531 PolarHBondContact O-N 3.12Å; E531-V533 PolarHBondContact O-N 3.15Å; E531-K534 PolarHBondContact O-N 3.16Å; E531-V535 WeakPolarHBondContact O-CG2 3.35Å; E531-V535 PolarHBondContact O-N 3.03Å
532	I	86.1	Confident	75.8	Confident	15 Å²	15	72 Å²	72	8%	0.077	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-45.2	175.1	-69.4	160.1	0	0	0	111.7	I467 N515 I517 T528 K534 V535 Y536	I467-I532 HydrophobicContact CD1-CG2 3.77Å; N515-I532 HydrophobicContact CB-CD1 3.9Å; N515-I532 HydrophobicContact CB-CG2 4.48Å; I517-I532 HydrophobicContact CD1-CD1 3.83Å; I517-I532 HydrophobicContact CG1-CD1 3.9Å; T528-I532 HydrophobicContact CG2-CD1 4.07Å; T528-I532 WeakPolarHBondContact O-CD1 3.27Å; T528-I532 WeakPolarHBondContact O-CG1 3.25Å; T528-I532 PolarHBondContact O-N 3.18Å; I532-K534 VanDerWaalsContact C-N 3.35Å; I532-K534 PolarHBondContact O-N 3.07Å; I532-V535 PolarHBondContact O-N 3.05Å; I532-Y536 HydrophobicContact CG2-CD2 4.05Å; I532-Y536 HydrophobicContact CG2-CE2 3.4Å; I532-Y536 VanDerWaalsContact CG2-CE2 3.4Å; I532-Y536 WeakPolarHBondContact O-CD2 3.3Å; I532-Y536 PolarHBondContact O-N 2.78Å; I532-Y536 VanDerWaalsContact O-N 3.11Å
533	V	85.1	Confident	73.2	Confident	11 Å²	11	76.9 Å²	76.9	7%	0.067	37%	0.374	C	S	.	.	H	α-helix	trans	-65	-37.6	178.2	165.8	0	0	0	0	111.8	L354 L371 F379 L529 L530 E531 Y536 M537	L354-V533 HydrophobicContact CD2-CG2 4.06Å; L371-V533 HydrophobicContact CD1-CG1 4.47Å; L371-V533 HydrophobicContact CD2-CG2 4.33Å; F379-V533 HydrophobicContact CE1-CG1 4.5Å; F379-V533 HydrophobicContact CE2-CG1 3.93Å; F379-V533 HydrophobicContact CZ-CG1 3.51Å; L529-V533 HydrophobicContact CD1-CG2 4.31Å; L529-V533 WeakPolarHBondContact O-CB 3.17Å; L529-V533 VanDerWaalsContact O-CG2 3.26Å; L529-V533 WeakPolarHBondContact O-CG2 3.38Å; L529-V533 PolarHBondContact O-N 2.7Å; L530-V533 PolarHBondContact O-N 3.13Å; E531-V533 PolarHBondContact O-N 3.15Å; V533-Y536 PolarHBondContact O-N 2.97Å; V533-M537 VanDerWaalsContact O-CG 3.31Å; V533-M537 WeakPolarHBondContact O-CG 3.35Å; V533-M537 PolarHBondContact O-N 2.87Å; V533-M537 VanDerWaalsContact O-N 3.16Å
534	K	81.6	Confident	70.2	Confident	108 Å²	108	81.5 Å²	81.5	47%	0.47	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-43.7	174.1	-77.6	174.2	179.4	-174.2	0	111.7	L530 E531 I532 Y536 M537 Y538	L530-K534 VanDerWaalsContact O-CB 3.29Å; L530-K534 WeakPolarHBondContact O-CB 3.28Å; L530-K534 WeakPolarHBondContact O-CG 3.45Å; L530-K534 PolarHBondContact O-N 3.47Å; E531-K534 PolarHBondContact O-N 3.16Å; I532-K534 VanDerWaalsContact C-N 3.35Å; I532-K534 PolarHBondContact O-N 3.07Å; K534-Y536 VanDerWaalsContact C-N 3.27Å; K534-Y536 PolarHBondContact O-N 3.05Å; K534-M537 CarbonylContact O-C 3.59Å; K534-M537 WeakPolarHBondContact O-CA 3.38Å; K534-M537 PolarHBondContact O-N 2.9Å; K534-Y538 HydrophobicContact CB-CD2 4.09Å; K534-Y538 HydrophobicContact CB-CE2 4.36Å; K534-Y538 HydrophobicContact CG-CD2 4.44Å; K534-Y538 HydrophobicContact CG-CE2 4.2Å; K534-Y538 VanDerWaalsContact O-CD2 3.26Å; K534-Y538 WeakPolarHBondContact O-CD2 3.28Å; K534-Y538 PolarHBondContact O-N 2.93Å
535	V	77.1	Confident	67.5	Low	92 Å²	92	83 Å²	83	56%	0.558	41%	0.41	S	S	*	.	H	α-helix	trans	-56.1	-44	174.4	170.6	0	0	0	0	110.6	E531 I532 M537 Y538 A539	E531-V535 WeakPolarHBondContact O-CG2 3.35Å; E531-V535 PolarHBondContact O-N 3.03Å; I532-V535 PolarHBondContact O-N 3.05Å; V535-M537 PolarHBondContact O-N 2.78Å; V535-Y538 PolarHBondContact O-N 2.93Å; V535-A539 WeakPolarHBondContact O-CB 3.37Å; V535-A539 PolarHBondContact O-N 2.87Å; V535-A539 VanDerWaalsContact O-N 3.09Å
536	Y	69.6	Low	64.6	Low	41 Å²	41	91.4 Å²	91.4	16%	0.161	45%	0.449	C	S	.	.	H	α-helix	trans	-66.5	-19.2	174.9	-59.9	-36.3	0	0	0	114.8	N515 I532 V533 K534 L658 F659	N515-Y536 PolarHBondContact ND2-OH 3.16Å; N515-Y536 VanDerWaalsContact ND2-OH 3.17Å; I532-Y536 HydrophobicContact CG2-CD2 4.05Å; I532-Y536 HydrophobicContact CG2-CE2 3.4Å; I532-Y536 VanDerWaalsContact CG2-CE2 3.4Å; I532-Y536 WeakPolarHBondContact O-CD2 3.3Å; I532-Y536 PolarHBondContact O-N 2.78Å; I532-Y536 VanDerWaalsContact O-N 3.11Å; V533-Y536 PolarHBondContact O-N 2.97Å; K534-Y536 VanDerWaalsContact C-N 3.27Å; K534-Y536 PolarHBondContact O-N 3.05Å; Y536-L658 WeakPolarHBondContact O-CD2 3.28Å; Y536-F659 HydrophobicContact CD1-CE1 4.36Å; Y536-F659 HydrophobicContact CD2-CE1 4.33Å; Y536-F659 HydrophobicContact CG-CE1 4.07Å
537	M	64.3	Low	61.7	Low	67 Å²	67	100.7 Å²	100.7	33%	0.33	49%	0.492	S	S	.	.	H	α-helix	trans	-94.8	-27	178.9	-70.4	-71.9	165	0	0	113.9	F379 V533 K534 V535 L658	F379-M537 HydrophobicContact CE1-CE 4.26Å; F379-M537 HydrophobicContact CE2-CE 4.2Å; F379-M537 HydrophobicContact CZ-CE 3.56Å; V533-M537 VanDerWaalsContact O-CG 3.31Å; V533-M537 WeakPolarHBondContact O-CG 3.35Å; V533-M537 PolarHBondContact O-N 2.87Å; V533-M537 VanDerWaalsContact O-N 3.16Å; K534-M537 CarbonylContact O-C 3.59Å; K534-M537 WeakPolarHBondContact O-CA 3.38Å; K534-M537 PolarHBondContact O-N 2.9Å; V535-M537 PolarHBondContact O-N 2.78Å; M537-L658 HydrophobicContact CE-CD1 3.95Å; M537-L658 HydrophobicContact CE-CD2 3.97Å; M537-L658 HydrophobicContact SD-CD1 3.9Å; M537-L658 HydrophobicContact SD-CD2 4.18Å; M537-L658 HydrophobicContact SD-CG 4.37Å
538	Y	57.8	Low	58.6	Low	140 Å²	140	103 Å²	103	55%	0.549	51%	0.508	S	S	.	.	H	α-helix	trans	-114.3	-8.1	-171.8	-66.7	-72.8	0	0	0	114.8	K534 V535 E540 E541	K534-Y538 HydrophobicContact CB-CD2 4.09Å; K534-Y538 HydrophobicContact CB-CE2 4.36Å; K534-Y538 HydrophobicContact CG-CD2 4.44Å; K534-Y538 HydrophobicContact CG-CE2 4.2Å; K534-Y538 VanDerWaalsContact O-CD2 3.26Å; K534-Y538 WeakPolarHBondContact O-CD2 3.28Å; K534-Y538 PolarHBondContact O-N 2.93Å; V535-Y538 PolarHBondContact O-N 2.93Å; Y538-E540 PolarHBondContact O-N 3.35Å; Y538-E541 PolarHBondContact O-N 3.27Å
539	A	49.1	Very low	55.7	Low	78 Å²	78	106.9 Å²	106.9	65%	0.645	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	26	-179.9	0	0	0	0	0	115.5	V535	V535-A539 WeakPolarHBondContact O-CB 3.37Å; V535-A539 PolarHBondContact O-N 2.87Å; V535-A539 VanDerWaalsContact O-N 3.09Å
540	E	44	Very low	52.7	Low	89 Å²	89	116.2 Å²	116.2	42%	0.416	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.5	2.3	171.4	-66.3	-163.7	123	0	0	113.1	Y538 H657 K660	Y538-E540 PolarHBondContact O-N 3.35Å; E540-H657 WeakPolarHBondContact OE1-CB 3.14Å; E540-H657 WeakPolarHBondContact OE2-CB 3.26Å; E540-K660 IonicContact OE1-NZ 2.81Å; E540-K660 PolarHBondContact OE1-NZ 3.46Å
541	E	37.7	Very low	49.8	Very low	155 Å²	155	124.5 Å²	124.5	72%	0.724	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-12.8	176.7	-70.5	-171.9	165.7	0	0	114.2	Y538	Y538-E541 PolarHBondContact O-N 3.27Å
542	E	35.9	Very low	47	Very low	194 Å²	194	128.5 Å²	128.5	91%	0.907	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-0	-177.2	-64.3	-171.2	152.6	0	0	114.8
543	E	34	Very low	44.1	Very low	154 Å²	154	136.7 Å²	136.7	72%	0.72	67%	0.673	S	S	*	*			trans	-101.4	42.5	178.6	-73.6	-159.6	161	0	0	114.6
544	E	26.8	Very low	41.4	Very low	178 Å²	178	140.5 Å²	140.5	83%	0.832	71%	0.705	S	S	*	*			trans	-112.3	107.8	159.1	-74	-155.1	159.1	0	0	111.3	Q546	E544-Q546 PolarHBondContact O-N 3.46Å
545	P	33.9	Very low	38.8	Very low	121 Å²	121	143.4 Å²	143.4	79%	0.786	72%	0.718	S	S	*	*			trans	-65.6	124.6	168.7	-17.3	31	0	0	0	110.2	E547	P545-E547 PolarHBondContact O-N 3.11Å
546	Q	30.1	Very low	36.4	Very low	180 Å²	180	145.6 Å²	145.6	84%	0.841	72%	0.722	S	S	*	*			trans	-68.1	120	171.8	-66.8	-179.5	-7.6	0	0	109.5	E544 E548	E544-Q546 PolarHBondContact O-N 3.46Å; Q546-E548 PolarHBondContact O-N 3.02Å
547	E	31.7	Very low	34.4	Very low	200 Å²	200	150.1 Å²	150.1	94%	0.935	74%	0.743	S	S	*	*			trans	-73.2	87.7	174.3	-68.8	-169.7	145.1	0	0	110.6	P545	P545-E547 PolarHBondContact O-N 3.11Å
548	E	27.9	Very low	32.6	Very low	170 Å²	170	153.5 Å²	153.5	79%	0.794	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-82.9	152.3	161.1	-71	-151.5	136.7	0	0	111.6	Q546	Q546-E548 PolarHBondContact O-N 3.02Å
549	P	30.7	Very low	31.1	Very low	124 Å²	124	155 Å²	155	81%	0.805	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-71.8	152.3	-166.9	-19.1	34.1	0	0	0	114.5	E551	P549-E551 PolarHBondContact O-N 3.02Å
550	Q	27.1	Very low	30	Very low	197 Å²	197	160.2 Å²	160.2	92%	0.921	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.3	124.5	178	-63.8	171.8	-12.7	0	0	112
551	E	28.5	Very low	28.9	Very low	197 Å²	197	165.5 Å²	165.5	92%	0.921	80%	0.802	S	S	*	*			trans	-111.1	148	155.2	-70.1	-160.5	139.8	0	0	110.2	P549	P549-E551 PolarHBondContact O-N 3.02Å
552	E	27.4	Very low	29	Very low	188 Å²	188	162.6 Å²	162.6	88%	0.879	80%	0.797	S	S	*	*			trans	-91.9	150.7	-171.3	-67.6	-176.8	125	0	0	113.6
553	E	26.7	Very low	28.4	Very low	187 Å²	187	162.8 Å²	162.8	87%	0.874	79%	0.789	S	S	*	*			trans	35.8	114.5	156.1	-58.2	-163.5	145.6	0	0	120.4
554	A	27.3	Very low	28	Very low	90 Å²	90	161.1 Å²	161.1	74%	0.744	78%	0.781	S	S	*	*				160.7	124.8	91.4	0	0	0	0	0	115.9
555	K	26.8	Very low	27.8	Very low	170 Å²	170	160.4 Å²	160.4	74%	0.739	78%	0.778	S	S	*	*			trans	51.5	135.2	134.5	-73.2	178.8	147	-126	0	123.5
556	E	27.6	Very low	27.4	Very low	137 Å²	137	162.7 Å²	162.7	64%	0.64	78%	0.778	S	S	*	*			trans	70.6	140.8	145.7	-65.8	170	-132.8	0	0	115.1
557	K	26.5	Very low	27.1	Very low	137 Å²	137	162.5 Å²	162.5	60%	0.596	78%	0.777	S	S	*	*			cis	-163.1	-179.5	2.6	-127.6	162.8	169.7	-79.6	0	109.8
558	E	26.6	Very low	26.7	Very low	138 Å²	138	161 Å²	161	65%	0.645	77%	0.77	S	S	*	*			trans	13.6	143.2	144	-73.2	143.5	-162.2	0	0	120.2
559	E	26.1	Very low	26.5	Very low	172 Å²	172	161.6 Å²	161.6	80%	0.804	77%	0.773	S	S	*	*			cis	-174.3	-163.1	-8.1	-147.1	172.8	175	0	0	107.5
560	E	26.2	Very low	26.1	Very low	187 Å²	187	165.1 Å²	165.1	87%	0.874	78%	0.776	S	S	*	*			trans	58.9	113.9	161.7	-61.8	-158.3	122.7	0	0	123.2
561	K	21.7	Very low	26.5	Very low	200 Å²	200	161 Å²	161	87%	0.87	77%	0.766	S	S	*	*			trans	-53.4	-178	149.9	-99.4	175.6	-178.4	174.5	0	114.7
562	P	39.3	Very low	26.3	Very low	93 Å²	93	155.8 Å²	155.8	60%	0.604	75%	0.752	S	S	*	*			cis	-141.6	-162.1	-17.9	33	-9.6	0	0	0	114.3
563	R	24.2	Very low	26.2	Very low	198 Å²	198	154.3 Å²	154.3	75%	0.747	74%	0.744	S	S	*	*			trans	74.6	158.3	153	-73.3	166.3	174.2	-113	-2.1	116.7
564	E	24.5	Very low	26.1	Very low	120 Å²	120	153.6 Å²	153.6	56%	0.561	74%	0.741	S	S	*	*			cis	-153.8	174.7	-8.6	-126.7	143.7	-170.8	0	0	109.6
565	E	23.9	Very low	26	Very low	162 Å²	162	157.6 Å²	157.6	76%	0.757	74%	0.744	S	S	*	*			trans	64.8	135.6	163	-70.7	150.2	-153.6	0	0	117
566	E	24.3	Very low	25.9	Very low	169 Å²	169	154.5 Å²	154.5	79%	0.79	74%	0.739	S	S	*	*			cis	102.8	141.9	36.9	-81.8	-167.4	159.4	0	0	113.4
567	E	24.3	Very low	25.8	Very low	176 Å²	176	156.2 Å²	156.2	82%	0.822	75%	0.748	S	S	*	*			trans	62	157.4	168.7	-70.7	-177.1	175.9	0	0	118.5
568	E	23.6	Very low	25.7	Very low	170 Å²	170	156.9 Å²	156.9	79%	0.794	75%	0.753	S	S	*	*			cis	-156.8	-159	-39.6	-147.7	-167.5	-167.3	0	0	108.5
569	E	23.7	Very low	25.6	Very low	181 Å²	181	157 Å²	157	85%	0.846	75%	0.754	S	S	*	*			trans	71.4	147	162.6	-62.6	-153.3	116.2	0	0	122.8
570	K	21.9	Very low	25.5	Very low	198 Å²	198	155.9 Å²	155.9	86%	0.861	75%	0.746	S	S	*	*			trans	-98.9	-168.7	168.6	-77.6	-178.4	175	179.5	0	107.5
571	P	35.7	Very low	25.4	Very low	110 Å²	110	152.9 Å²	152.9	71%	0.714	75%	0.745	S	S	*	*			cis	-147.6	-169.9	14.1	44	-21.7	0	0	0	117.8
572	S	24.2	Very low	25.6	Very low	89 Å²	89	148.5 Å²	148.5	62%	0.622	74%	0.74	S	S	*	*			trans	59.8	169.3	152	68.6	0	0	0	0	119.2
573	E	25.7	Very low	25	Very low	156 Å²	156	152.4 Å²	152.4	73%	0.729	75%	0.754	S	S	*	*			cis	-123.3	159	-3	-112.3	111.6	-115	0	0	108.5
574	E	25	Very low	25.1	Very low	173 Å²	173	151.5 Å²	151.5	81%	0.808	76%	0.758	S	S	*	*				49.3	130.7	86.5	-97.3	163.7	-150.5	0	0	113.3
575	E	24.8	Very low	25.3	Very low	173 Å²	173	151.6 Å²	151.6	81%	0.808	77%	0.772	S	S	*	*			cis	-163.3	178.3	35.1	-103.2	-177.3	157.5	0	0	108.3
576	V	25	Very low	25.4	Very low	105 Å²	105	150.8 Å²	150.8	64%	0.636	77%	0.773	S	S	*	*			cis	175	158.6	-24.9	142.2	0	0	0	0	106.3
577	E	24.3	Very low	25.5	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.813	77%	0.769	S	S	*	*			trans	64.2	158.1	165.3	-81.1	167.8	-153.2	0	0	120.8
578	E	24.5	Very low	25.6	Very low	150 Å²	150	143.9 Å²	143.9	70%	0.701	76%	0.763	S	S	*	*			cis	-163.3	-172.3	-37.3	-134.4	-149	147.8	0	0	112.4
579	E	24.2	Very low	25.8	Very low	142 Å²	142	142.6 Å²	142.6	66%	0.664	76%	0.761	S	S	*	*			trans	81.3	174.8	152	-78.5	-99.8	95.1	0	0	120.4
580	K	25.6	Very low	25.9	Very low	147 Å²	147	145.2 Å²	145.2	64%	0.639	76%	0.763	S	S	*	*			trans	-136.8	160.4	-144.4	-50.8	167.3	-165	82.8	0	111.6
581	S	24.2	Very low	26.1	Very low	124 Å²	124	141.4 Å²	141.4	87%	0.867	75%	0.752	S	S	*	*				155.2	163	113.9	59	0	0	0	0	114.4
582	S	25.6	Very low	25.7	Very low	108 Å²	108	144.6 Å²	144.6	76%	0.755	76%	0.755	S	S	*	*			trans	-103.2	154.8	-177.1	52.9	0	0	0	0	112.8
583	I	26.9	Very low	25.7	Very low	175 Å²	175	148.3 Å²	148.3	90%	0.897	76%	0.762	S	S	*	*			trans	-150.5	157.1	159.5	-104.2	150.6	0	0	0	110.6
584	E	25.5	Very low	25.6	Very low	179 Å²	179	146 Å²	146	84%	0.836	76%	0.763	S	S	*	*			trans	-99.7	173.5	-168.1	-52.5	166	117.9	0	0	114
585	S	28	Very low	25.7	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	77%	0.766	S	S	*	*			trans	138.8	154.4	145.6	59	0	0	0	0	114.1
586	D	26	Very low	25.7	Very low	146 Å²	146	145 Å²	145	78%	0.781	77%	0.768	S	S	*	*			cis	-168.5	158.7	-31.3	-178.8	29.7	0	0	0	109.3
587	S	26.9	Very low	25.8	Very low	99 Å²	99	148.5 Å²	148.5	69%	0.692	78%	0.778	S	S	*	*			trans	69.9	156	160.5	86.7	0	0	0	0	118.8
588	S	27.2	Very low	26.3	Very low	100 Å²	100	146 Å²	146	70%	0.699	78%	0.777	S	S	*	*			cis	-163.1	143.9	-20.8	43.4	0	0	0	0	114.4
589	L	26.5	Very low	26.3	Very low	144 Å²	144	143 Å²	143	75%	0.754	78%	0.777	S	S	*	*			trans	27.8	130.6	145.3	-61.3	166.8	0	0	0	122.9
590	R	27	Very low	26.3	Very low	236 Å²	236	143.1 Å²	143.1	89%	0.891	79%	0.788	S	S	*	*				175.2	99.9	110	-93.5	170.9	-171.5	-177.8	4.8	115.5
591	D	26.1	Very low	26.1	Very low	117 Å²	117	142.4 Å²	142.4	63%	0.626	80%	0.796	S	S	*	*				51.3	130.8	108.5	-67.3	11.1	0	0	0	124.9
592	F	25.6	Very low	26.6	Very low	177 Å²	177	142 Å²	142	78%	0.776	79%	0.79	S	S	*	*			trans	66.9	148.4	144.2	-76.5	-62.6	0	0	0	120.1
593	E	24.8	Very low	26.5	Very low	168 Å²	168	142.8 Å²	142.8	79%	0.785	79%	0.79	S	S	*	*			cis	-151.9	-177.4	-0.5	-159.4	146.4	-139	0	0	111.8
594	S	24.8	Very low	26.4	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	79%	0.788	S	S	*	*			trans	-104.4	176	-180	56.7	0	0	0	0	114.2
595	V	26.1	Very low	26.4	Very low	143 Å²	143	140.7 Å²	140.7	87%	0.867	79%	0.791	S	S	*	*			trans	-178.6	171.9	144.4	141.8	0	0	0	0	111.4
596	E	24.5	Very low	26.2	Very low	184 Å²	184	144 Å²	144	86%	0.86	79%	0.793	S	S	*	*			trans	-106.3	-174.4	-150.7	-55.8	170.7	117.1	0	0	117.5
597	E	27	Very low	26.2	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	80%	0.796	S	S	*	*			trans	-45.2	171.1	167.1	-100.8	-175.6	-132.2	0	0	117.1
598	P	34.4	Very low	26.1	Very low	122 Å²	122	146.1 Å²	146.1	79%	0.792	81%	0.805	S	S	*	*			cis	-152	-167.5	46.6	43	-19.7	0	0	0	118.5
599	A	25.1	Very low	26.7	Very low	87 Å²	87	147.2 Å²	147.2	72%	0.719	81%	0.81	S	S	*	*			trans	-101.8	173.2	-170.3	0	0	0	0	0	116.7
600	T	24.1	Very low	26.6	Very low	144 Å²	144	143.5 Å²	143.5	88%	0.883	81%	0.806	S	S	*	*			trans	-163.9	159.7	159.6	-1.4	0	0	0	0	112.9
601	T	22.6	Very low	26.6	Very low	132 Å²	132	138.9 Å²	138.9	81%	0.81	81%	0.805	S	S	*	*			trans	-133.8	157.8	172.7	56.9	0	0	0	0	110.1
602	P	33.3	Very low	26.7	Very low	115 Å²	115	138.5 Å²	138.5	75%	0.747	81%	0.807	S	S	*	*				-159.1	150.2	105.9	39.1	-19.3	0	0	0	119.5
603	V	24.4	Very low	27.2	Very low	125 Å²	125	136.6 Å²	136.6	76%	0.758	81%	0.809	S	S	*	*			trans	48	114.9	130.7	-171.7	0	0	0	0	123.7
604	E	25.1	Very low	27.6	Very low	181 Å²	181	136 Å²	136	85%	0.846	81%	0.806	S	S	*	*			trans	31.4	134.7	134.7	-52.4	177.4	161.8	0	0	124.9
605	S	24.7	Very low	27.9	Very low	128 Å²	128	134.4 Å²	134.4	90%	0.895	80%	0.799	S	S	*	*				-177.8	169.1	119.3	34.5	0	0	0	0	113
606	E	24.4	Very low	28.2	Very low	191 Å²	191	131.8 Å²	131.8	89%	0.893	79%	0.787	S	S	*	*			trans	-96.8	149.8	-160.9	-51.7	173.8	116.7	0	0	116.3
607	S	24.8	Very low	28.7	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	77%	0.771	S	S	*	*			trans	172.7	159.5	130	43.6	0	0	0	0	114.4
608	L	25.5	Very low	29	Very low	168 Å²	168	121.2 Å²	121.2	88%	0.88	76%	0.758	S	S	*	*			trans	-151.9	168.9	178.2	-92	172.9	0	0	0	108.5
609	P	40.1	Very low	29.1	Very low	123 Å²	123	123 Å²	123	80%	0.799	75%	0.753	S	S	*	*			cis	-126.6	171.1	-7.6	39.4	-24.9	0	0	0	114.3
610	G	23.9	Very low	29.7	Very low	65 Å²	65	122 Å²	122	67%	0.67	74%	0.744	S	S	*	*			trans	172.3	82.1	168.3	0	0	0	0	0	117.9
611	T	28.4	Very low	30.2	Very low	140 Å²	140	122.2 Å²	122.2	86%	0.859	74%	0.735	S	S	*	*			trans	40.3	108.4	154.7	56.4	0	0	0	0	120.8
612	T	27.7	Very low	30.6	Very low	109 Å²	109	118.9 Å²	118.9	67%	0.669	72%	0.721	S	S	*	*			trans	-155.8	149.8	143.6	20.1	0	0	0	0	111.1	E614	T612-E614 VanDerWaalsContact C-N 3.32Å
613	V	35.9	Very low	30.8	Very low	136 Å²	136	120 Å²	120	82%	0.824	72%	0.721	S	S	*	*	S	Bend	trans	-84.3	-7.9	-179	174.3	0	0	0	0	112.5	S616	V613-S616 PolarHBondContact O-OG 3.01Å
614	E	32.1	Very low	31.3	Very low	156 Å²	156	120.7 Å²	120.7	73%	0.729	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-16.7	-169.2	-61.5	170.8	155.5	0	0	113.7	T612 S616 S617	T612-E614 VanDerWaalsContact C-N 3.32Å; E614-S616 VanDerWaalsContact C-N 3.3Å; E614-S616 PolarHBondContact O-N 2.88Å; E614-S617 PolarHBondContact O-N 3.14Å
615	A	32	Very low	32.2	Very low	72 Å²	72	116.7 Å²	116.7	60%	0.595	71%	0.712	S	S	*	*	H	α-helix	trans	-70.7	-17.3	-175.5	0	0	0	0	0	115
616	S	32.2	Very low	32.8	Very low	88 Å²	88	115.8 Å²	115.8	62%	0.615	70%	0.704	S	S	*	*	H	α-helix	trans	-74.2	-33.8	178.1	52.6	0	0	0	0	112.8	V613 E614 A620	V613-S616 PolarHBondContact O-OG 3.01Å; E614-S616 VanDerWaalsContact C-N 3.3Å; E614-S616 PolarHBondContact O-N 2.88Å; S616-A620 PolarHBondContact O-N 3.43Å
617	S	35.3	Very low	33.7	Very low	75 Å²	75	115.9 Å²	115.9	52%	0.524	71%	0.705	S	S	.	*	H	α-helix	trans	-65.2	-41.6	-178.2	-171.3	0	0	0	0	112.4	E614 K619 A620 Q621	E614-S617 PolarHBondContact O-N 3.14Å; S617-K619 PolarHBondContact O-N 2.99Å; S617-A620 PolarHBondContact O-N 3.2Å; S617-Q621 PolarHBondContact O-N 3.19Å
618	A	34.1	Very low	35	Very low	66 Å²	66	115 Å²	115	55%	0.545	69%	0.685	S	S	.	*	H	α-helix	trans	-67.4	-35.5	-177	0	0	0	0	0	112.7	Q621 A622	A618-Q621 PolarHBondContact O-N 3.47Å; A618-A622 PolarHBondContact O-N 3.02Å
619	K	34.9	Very low	36.5	Very low	159 Å²	159	110.5 Å²	110.5	69%	0.691	67%	0.665	S	S	*	*	H	α-helix	trans	-67.6	-44.1	176.4	-106.4	-173	172.4	-170.7	0	112.4	S617 Q621 A622 D623	S617-K619 PolarHBondContact O-N 2.99Å; K619-Q621 PolarHBondContact O-N 2.96Å; K619-Q621 VanDerWaalsContact O-N 3.17Å; K619-A622 PolarHBondContact O-N 3.2Å; K619-D623 PolarHBondContact O-N 3.01Å
620	A	38	Very low	36.7	Very low	65 Å²	65	111.9 Å²	111.9	54%	0.537	67%	0.665	S	S	.	*	H	α-helix	trans	-62.2	-22.9	179	0	0	0	0	0	113.9	S616 S617	S616-A620 PolarHBondContact O-N 3.43Å; S617-A620 PolarHBondContact O-N 3.2Å
621	Q	34.4	Very low	37.7	Very low	149 Å²	149	115.5 Å²	115.5	70%	0.696	67%	0.667	S	S	*	*	H	α-helix	trans	-87.3	-26.7	173.3	-70.6	-175.1	-38.2	0	0	113.6	S617 A618 K619	S617-Q621 PolarHBondContact O-N 3.19Å; A618-Q621 PolarHBondContact O-N 3.47Å; K619-Q621 PolarHBondContact O-N 2.96Å; K619-Q621 VanDerWaalsContact O-N 3.17Å
622	A	32.4	Very low	38.4	Very low	62 Å²	62	113.3 Å²	113.3	51%	0.512	65%	0.647	S	S	.	*	H	α-helix	trans	-73.1	-41.2	178.1	0	0	0	0	0	112.5	A618 K619 L624 S625	A618-A622 PolarHBondContact O-N 3.02Å; K619-A622 PolarHBondContact O-N 3.2Å; A622-L624 PolarHBondContact O-N 3.23Å; A622-L624 VanDerWaalsContact O-N 3.11Å; A622-S625 PolarHBondContact O-N 3.01Å; A622-S625 PolarHBondContact O-OG 2.99Å
623	D	35.8	Very low	39.4	Very low	138 Å²	138	111.5 Å²	111.5	74%	0.738	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-4	177.9	-65	-33.8	0	0	0	113	K619	K619-D623 PolarHBondContact O-N 3.01Å
624	L	36.7	Very low	39.9	Very low	140 Å²	140	107.8 Å²	107.8	73%	0.733	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-4.5	179.9	-131.3	82	0	0	0	114.4	A622	A622-L624 PolarHBondContact O-N 3.23Å; A622-L624 VanDerWaalsContact O-N 3.11Å
625	S	42.3	Very low	40.6	Very low	97 Å²	97	102.7 Å²	102.7	68%	0.678	60%	0.598	S	S	*	*			trans	-105	41.6	-171.6	75.3	0	0	0	0	115.2	A622	A622-S625 PolarHBondContact O-N 3.01Å; A622-S625 PolarHBondContact O-OG 2.99Å
626	C	38.3	Very low	41.5	Very low	110 Å²	110	101.3 Å²	101.3	74%	0.743	58%	0.581	S	S	*	*			trans	-64.3	137.4	155.8	-72.5	0	0	0	0	109.5	K628	C626-K628 PolarHBondContact O-N 3.49Å
627	Q	43.2	Very low	42.2	Very low	193 Å²	193	105.8 Å²	105.8	90%	0.902	58%	0.584	S	S	*	*			trans	-67	103.4	172.1	-75.8	-174.5	-13.8	0	0	109.3	T629	Q627-T629 PolarHBondContact O-N 3.45Å
628	K	51.4	Low	42.8	Very low	103 Å²	103	108.7 Å²	108.7	45%	0.448	59%	0.588	S	S	.	*			trans	-58.5	132.3	178.4	-58.5	-178.5	-178.2	174	0	109.8	C626 E632 L633 L636	C626-K628 PolarHBondContact O-N 3.49Å; K628-E632 HydrophobicContact CB-CB 4.21Å; K628-L633 HydrophobicContact CB-CD2 4Å; K628-L633 HydrophobicContact CB-CG 4Å; K628-L633 HydrophobicContact CD-CD2 4.32Å; K628-L636 HydrophobicContact CD-CD1 3.48Å; K628-L636 VanDerWaalsContact CD-CD1 3.48Å
629	T	57.7	Low	43.3	Very low	75 Å²	75	112.2 Å²	112.2	46%	0.46	59%	0.587	S	S	.	*			trans	-61.5	158.2	177.5	62.3	0	0	0	0	111.1	Q627 I631 E632 L633	Q627-T629 PolarHBondContact O-N 3.45Å; T629-I631 PolarHBondContact O-N 3.44Å; T629-I631 VanDerWaalsContact O-N 3.1Å; T629-E632 WeakPolarHBondContact CB-OE2 3.24Å; T629-E632 WeakPolarHBondContact CG2-OE2 3.37Å; T629-E632 PolarHBondContact N-OE2 2.83Å; T629-E632 PolarHBondContact O-N 3.48Å; T629-E632 VanDerWaalsContact O-N 3.1Å; T629-E632 WeakPolarHBondContact OG1-CG 3.42Å; T629-E632 PolarHBondContact OG1-N 2.92Å; T629-E632 PolarHBondContact OG1-OE2 3.23Å; T629-L633 WeakPolarHBondContact O-CG 3.3Å; T629-L633 PolarHBondContact O-N 3.41Å
630	L	45	Very low	44	Very low	152 Å²	152	109.4 Å²	109.4	80%	0.796	58%	0.576	S	S	*	*	H	α-helix	trans	-56.7	-28.8	177.3	-65.9	173.8	0	0	0	112.6	A634	L630-A634 PolarHBondContact O-N 3.31Å
631	I	44.5	Very low	44.4	Very low	140 Å²	140	111.9 Å²	111.9	72%	0.718	58%	0.577	S	S	*	*	H	α-helix	trans	-74.9	-44.1	177.6	-57.4	174.7	0	0	0	110.8	T629 L633 A634 S635	T629-I631 PolarHBondContact O-N 3.44Å; T629-I631 VanDerWaalsContact O-N 3.1Å; I631-L633 VanDerWaalsContact C-N 3.29Å; I631-L633 PolarHBondContact O-N 3.41Å; I631-A634 PolarHBondContact O-N 2.88Å; I631-S635 WeakPolarHBondContact O-CB 3.19Å; I631-S635 PolarHBondContact O-N 3.21Å
632	E	43.7	Very low	45	Very low	94 Å²	94	109 Å²	109	44%	0.439	57%	0.565	S	S	.	*	H	α-helix	trans	-64.1	-34.9	173.3	-70.5	165.4	107.4	0	0	112.2	K628 T629 S635 L636	K628-E632 HydrophobicContact CB-CB 4.21Å; T629-E632 WeakPolarHBondContact CB-OE2 3.24Å; T629-E632 WeakPolarHBondContact CG2-OE2 3.37Å; T629-E632 PolarHBondContact N-OE2 2.83Å; T629-E632 PolarHBondContact O-N 3.48Å; T629-E632 VanDerWaalsContact O-N 3.1Å; T629-E632 WeakPolarHBondContact OG1-CG 3.42Å; T629-E632 PolarHBondContact OG1-N 2.92Å; T629-E632 PolarHBondContact OG1-OE2 3.23Å; E632-S635 PolarHBondContact O-N 3.18Å; E632-L636 WeakPolarHBondContact O-CB 3.32Å; E632-L636 WeakPolarHBondContact O-CG 3.29Å; E632-L636 PolarHBondContact O-N 3.35Å
633	L	47.1	Very low	45.5	Very low	71 Å²	71	108.4 Å²	108.4	37%	0.372	56%	0.56	S	S	.	*	H	α-helix	trans	-68.7	-36.5	173.9	-69.6	172.6	0	0	0	112.2	K628 T629 I631 L636 R637	K628-L633 HydrophobicContact CB-CD2 4Å; K628-L633 HydrophobicContact CB-CG 4Å; K628-L633 HydrophobicContact CD-CD2 4.32Å; T629-L633 WeakPolarHBondContact O-CG 3.3Å; T629-L633 PolarHBondContact O-N 3.41Å; I631-L633 VanDerWaalsContact C-N 3.29Å; I631-L633 PolarHBondContact O-N 3.41Å; L633-L636 PolarHBondContact O-N 2.9Å; L633-R637 WeakPolarHBondContact O-CG 3.29Å; L633-R637 PolarHBondContact O-N 2.9Å
634	A	46.8	Very low	46	Very low	58 Å²	58	109 Å²	109	48%	0.479	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-44.3	170.6	0	0	0	0	0	111.7	L630 I631 L636 R637 K638	L630-A634 PolarHBondContact O-N 3.31Å; I631-A634 PolarHBondContact O-N 2.88Å; A634-L636 VanDerWaalsContact C-N 3.33Å; A634-L636 PolarHBondContact O-N 3.04Å; A634-R637 PolarHBondContact O-N 3.04Å; A634-K638 PolarHBondContact O-N 3.44Å
635	S	46.4	Very low	46.6	Very low	49 Å²	49	106.3 Å²	106.3	34%	0.343	54%	0.536	S	S	.	.	H	α-helix	trans	-60.7	-37.6	174	172	0	0	0	0	112.8	I631 E632 R639	I631-S635 WeakPolarHBondContact O-CB 3.19Å; I631-S635 PolarHBondContact O-N 3.21Å; E632-S635 PolarHBondContact O-N 3.18Å; S635-R639 WeakPolarHBondContact O-CB 3.21Å; S635-R639 WeakPolarHBondContact O-CG 3.33Å; S635-R639 PolarHBondContact O-N 3.19Å; S635-R639 VanDerWaalsContact O-N 3.14Å; S635-R639 PolarHBondContact O-NE 2.94Å; S635-R639 PolarHBondContact OG-NE 3.02Å; S635-R639 PolarHBondContact OG-NH2 2.93Å
636	L	51.3	Low	46.7	Very low	43 Å²	43	105.2 Å²	105.2	23%	0.225	53%	0.533	C	S	.	.	H	α-helix	trans	-70.8	-43.1	175	-80.8	165.3	0	0	0	112	K628 E632 L633 A634 R639 E640	K628-L636 HydrophobicContact CD-CD1 3.48Å; K628-L636 VanDerWaalsContact CD-CD1 3.48Å; E632-L636 WeakPolarHBondContact O-CB 3.32Å; E632-L636 WeakPolarHBondContact O-CG 3.29Å; E632-L636 PolarHBondContact O-N 3.35Å; L633-L636 PolarHBondContact O-N 2.9Å; A634-L636 VanDerWaalsContact C-N 3.33Å; A634-L636 PolarHBondContact O-N 3.04Å; L636-R639 PolarHBondContact O-N 3.5Å; L636-E640 PolarHBondContact O-N 3.04Å
637	R	47.8	Very low	47.1	Very low	183 Å²	183	107 Å²	107	69%	0.691	53%	0.533	S	S	*	.	H	α-helix	trans	-58.7	-49.4	174.3	-75.8	174.7	179.3	177	0.2	111.4	L633 A634 R639 E640 E641	L633-R637 WeakPolarHBondContact O-CG 3.29Å; L633-R637 PolarHBondContact O-N 2.9Å; A634-R637 PolarHBondContact O-N 3.04Å; R637-R639 PolarHBondContact O-N 2.97Å; R637-E640 PolarHBondContact O-N 3.32Å; R637-E640 VanDerWaalsContact O-N 3.13Å; R637-E641 VanDerWaalsContact O-CB 3.26Å; R637-E641 WeakPolarHBondContact O-CB 3.36Å; R637-E641 PolarHBondContact O-N 2.74Å
638	K	47.7	Very low	47.2	Very low	136 Å²	136	103.1 Å²	103.1	59%	0.591	52%	0.523	S	S	*	.	H	α-helix	trans	-60	-32.4	177.3	-160	173.5	-174.5	-178.3	0	112.4	A634 L642	A634-K638 PolarHBondContact O-N 3.44Å; K638-L642 WeakPolarHBondContact O-CB 3.2Å; K638-L642 WeakPolarHBondContact O-CD1 3.36Å; K638-L642 VanDerWaalsContact O-CG 3.28Å; K638-L642 WeakPolarHBondContact O-CG 3.38Å; K638-L642 PolarHBondContact O-N 2.8Å; K638-L642 VanDerWaalsContact O-N 3.07Å
639	R	44.8	Very low	46.6	Very low	140 Å²	140	101.3 Å²	101.3	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-74.9	-40.7	173	-79.6	179.2	-77	169.3	-12.2	113.8	S635 L636 R637 E641 A643	S635-R639 WeakPolarHBondContact O-CB 3.21Å; S635-R639 WeakPolarHBondContact O-CG 3.33Å; S635-R639 PolarHBondContact O-N 3.19Å; S635-R639 VanDerWaalsContact O-N 3.14Å; S635-R639 PolarHBondContact O-NE 2.94Å; S635-R639 PolarHBondContact OG-NE 3.02Å; S635-R639 PolarHBondContact OG-NH2 2.93Å; L636-R639 PolarHBondContact O-N 3.5Å; R637-R639 PolarHBondContact O-N 2.97Å; R639-E641 VanDerWaalsContact C-N 3.26Å; R639-E641 PolarHBondContact O-N 2.96Å; R639-A643 VanDerWaalsContact O-CB 3.25Å; R639-A643 WeakPolarHBondContact O-CB 3.25Å; R639-A643 PolarHBondContact O-N 2.74Å
640	E	48.6	Very low	45.8	Very low	99 Å²	99	105 Å²	105	46%	0.463	54%	0.543	S	S	.	.	H	α-helix	trans	-65.1	-32.8	172.8	-75	-175.9	-156	0	0	112.1	L636 R637 R644	L636-E640 PolarHBondContact O-N 3.04Å; R637-E640 PolarHBondContact O-N 3.32Å; R637-E640 VanDerWaalsContact O-N 3.13Å; E640-R644 WeakPolarHBondContact O-CB 3.3Å; E640-R644 VanDerWaalsContact O-CG 3.25Å; E640-R644 WeakPolarHBondContact O-CG 3.23Å; E640-R644 PolarHBondContact O-N 3.05Å; E640-R644 IonicContact OE2-CZ 3.74Å; E640-R644 IonicContact OE2-NH1 3.04Å; E640-R644 PolarHBondContact OE2-NH1 3.34Å; E640-R644 IonicContact OE2-NH2 3.57Å
641	E	46.3	Very low	45.6	Very low	118 Å²	118	106 Å²	106	55%	0.551	54%	0.541	S	S	*	.	H	α-helix	trans	-69.1	-54.2	177.1	-161.6	150	-125.5	0	0	110.4	R637 R639 A643 R644 E645	R637-E641 VanDerWaalsContact O-CB 3.26Å; R637-E641 WeakPolarHBondContact O-CB 3.36Å; R637-E641 PolarHBondContact O-N 2.74Å; R639-E641 VanDerWaalsContact C-N 3.26Å; R639-E641 PolarHBondContact O-N 2.96Å; E641-A643 VanDerWaalsContact C-N 3.26Å; E641-A643 PolarHBondContact O-N 2.97Å; E641-R644 CarbonylContact O-C 3.33Å; E641-R644 WeakPolarHBondContact O-CA 3.38Å; E641-R644 WeakPolarHBondContact O-CB 3.44Å; E641-R644 PolarHBondContact O-N 3.47Å; E641-E645 WeakPolarHBondContact O-CG 3.42Å; E641-E645 PolarHBondContact O-N 3.47Å
642	L	47.4	Very low	45.2	Very low	87 Å²	87	103.7 Å²	103.7	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-55.9	-37.8	171.9	-73.6	166	0	0	0	112.9	K638 E645 A646	K638-L642 WeakPolarHBondContact O-CB 3.2Å; K638-L642 WeakPolarHBondContact O-CD1 3.36Å; K638-L642 VanDerWaalsContact O-CG 3.28Å; K638-L642 WeakPolarHBondContact O-CG 3.38Å; K638-L642 PolarHBondContact O-N 2.8Å; K638-L642 VanDerWaalsContact O-N 3.07Å; L642-E645 PolarHBondContact O-N 3.25Å; L642-A646 WeakPolarHBondContact O-CB 3.48Å; L642-A646 PolarHBondContact O-N 2.81Å
643	A	42.6	Very low	45	Very low	50 Å²	50	100.8 Å²	100.8	41%	0.413	53%	0.53	S	S	.	.	H	α-helix	trans	-68.4	-38.4	175.6	0	0	0	0	0	112.5	R639 E641 I647	R639-A643 VanDerWaalsContact O-CB 3.25Å; R639-A643 WeakPolarHBondContact O-CB 3.25Å; R639-A643 PolarHBondContact O-N 2.74Å; E641-A643 VanDerWaalsContact C-N 3.26Å; E641-A643 PolarHBondContact O-N 2.97Å; A643-I647 WeakPolarHBondContact O-CD1 3.45Å; A643-I647 VanDerWaalsContact O-CG1 3.29Å; A643-I647 WeakPolarHBondContact O-CG1 3.5Å; A643-I647 PolarHBondContact O-N 3.11Å; A643-I647 VanDerWaalsContact O-N 3.11Å
644	R	46.5	Very low	44.6	Very low	152 Å²	152	104.6 Å²	104.6	57%	0.574	55%	0.55	S	S	*	*	H	α-helix	trans	-66	-42.3	172.6	-78	171.4	177.3	115.9	5.9	111.4	E640 E641 A646 I647 V648	E640-R644 WeakPolarHBondContact O-CB 3.3Å; E640-R644 VanDerWaalsContact O-CG 3.25Å; E640-R644 WeakPolarHBondContact O-CG 3.23Å; E640-R644 PolarHBondContact O-N 3.05Å; E640-R644 IonicContact OE2-CZ 3.74Å; E640-R644 IonicContact OE2-NH1 3.04Å; E640-R644 PolarHBondContact OE2-NH1 3.34Å; E640-R644 IonicContact OE2-NH2 3.57Å; E641-R644 CarbonylContact O-C 3.33Å; E641-R644 WeakPolarHBondContact O-CA 3.38Å; E641-R644 WeakPolarHBondContact O-CB 3.44Å; E641-R644 PolarHBondContact O-N 3.47Å; R644-A646 PolarHBondContact O-N 3.15Å; R644-I647 PolarHBondContact O-N 3.22Å; R644-V648 WeakPolarHBondContact O-CB 3.17Å; R644-V648 VanDerWaalsContact O-CG2 3.26Å; R644-V648 WeakPolarHBondContact O-CG2 3.24Å; R644-V648 PolarHBondContact O-N 3.46Å
645	E	48.1	Very low	44.4	Very low	82 Å²	82	106.7 Å²	106.7	38%	0.383	55%	0.55	S	S	.	*	H	α-helix	trans	-60.9	-43.6	177.1	-70.7	177.4	145.4	0	0	112	E641 L642 V648 G649 K650	E641-E645 WeakPolarHBondContact O-CG 3.42Å; E641-E645 PolarHBondContact O-N 3.47Å; L642-E645 PolarHBondContact O-N 3.25Å; E645-V648 PolarHBondContact O-N 2.85Å; E645-G649 PolarHBondContact O-N 3.47Å; E645-G649 VanDerWaalsContact O-N 3.07Å; E645-K650 PolarHBondContact O-N 2.77Å
646	A	45.9	Very low	44	Very low	74 Å²	74	105.4 Å²	105.4	61%	0.612	54%	0.541	S	S	*	.	H	α-helix	trans	-63.5	-38.3	174.7	0	0	0	0	0	112.9	L642 R644 G649	L642-A646 WeakPolarHBondContact O-CB 3.48Å; L642-A646 PolarHBondContact O-N 2.81Å; R644-A646 PolarHBondContact O-N 3.15Å; A646-G649 PolarHBondContact O-N 3.2Å
647	I	45.4	Very low	43.4	Very low	148 Å²	148	106.3 Å²	106.3	76%	0.759	54%	0.544	S	S	*	.	H	α-helix	trans	-70.9	-32	175.3	-71.1	162.7	0	0	0	111.9	A643 R644 G649	A643-I647 WeakPolarHBondContact O-CD1 3.45Å; A643-I647 VanDerWaalsContact O-CG1 3.29Å; A643-I647 WeakPolarHBondContact O-CG1 3.5Å; A643-I647 PolarHBondContact O-N 3.11Å; A643-I647 VanDerWaalsContact O-N 3.11Å; R644-I647 PolarHBondContact O-N 3.22Å; I647-G649 VanDerWaalsContact C-N 3.29Å
648	V	46	Very low	43	Very low	112 Å²	112	98.9 Å²	98.9	68%	0.679	52%	0.518	S	S	*	.	H	α-helix	trans	-81.1	-8	177.7	171.2	0	0	0	0	112.3	R644 E645	R644-V648 WeakPolarHBondContact O-CB 3.17Å; R644-V648 VanDerWaalsContact O-CG2 3.26Å; R644-V648 WeakPolarHBondContact O-CG2 3.24Å; R644-V648 PolarHBondContact O-N 3.46Å; E645-V648 PolarHBondContact O-N 2.85Å
649	G	38.9	Very low	43.1	Very low	65 Å²	65	94.8 Å²	94.8	67%	0.67	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	18.7	174.3	0	0	0	0	0	114.6	E645 A646 I647	E645-G649 PolarHBondContact O-N 3.47Å; E645-G649 VanDerWaalsContact O-N 3.07Å; A646-G649 PolarHBondContact O-N 3.2Å; I647-G649 VanDerWaalsContact C-N 3.29Å
650	K	41.6	Very low	42.7	Very low	152 Å²	152	94.2 Å²	94.2	66%	0.661	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-73.3	149.6	164.9	-77.5	-168	172	-170.4	0	109.7	E645	E645-K650 PolarHBondContact O-N 2.77Å
651	K	39.8	Very low	42.2	Very low	174 Å²	174	95.4 Å²	95.4	76%	0.757	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-56.9	147.7	175.9	-71.7	179.9	-178.6	172.3	0	110.3
652	P	37.2	Very low	41.4	Very low	90 Å²	90	98.3 Å²	98.3	58%	0.584	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-56.8	145.2	172.6	24.8	-34.1	0	0	0	111.1	S656	P652-S656 PolarHBondContact O-OG 3.21Å
653	G	39.4	Very low	40.3	Very low	34 Å²	34	100 Å²	100	35%	0.351	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-59.7	171.8	-174.3	0	0	0	0	0	115.6	H655 S656	G653-H655 PolarHBondContact O-N 3.2Å; G653-S656 PolarHBondContact O-N 3.09Å; G653-S656 VanDerWaalsContact O-N 3.12Å; G653-S656 PolarHBondContact O-OG 3.21Å; G653-S656 VanDerWaalsContact O-OG 3.12Å
654	L	37.8	Very low	39.5	Very low	150 Å²	150	102.5 Å²	102.5	79%	0.785	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-44.7	-30	-165.3	-77.4	74.9	0	0	0	115.9	S656	L654-S656 PolarHBondContact O-N 3.05Å
655	H	42.3	Very low	38.5	Very low	103 Å²	103	104.2 Å²	104.2	48%	0.477	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-75.3	-4.7	-174	-44.1	-52.6	0	0	0	114.6	G653	G653-H655 PolarHBondContact O-N 3.2Å
656	S	38.6	Very low	37.3	Very low	22 Å²	22	106.2 Å²	106.2	15%	0.154	58%	0.581	C	S	.	*	G	3₁₀ helix	trans	-91.5	-6.6	-176.5	67.5	0	0	0	0	115.6	P652 G653 L654	P652-S656 PolarHBondContact O-OG 3.21Å; G653-S656 PolarHBondContact O-N 3.09Å; G653-S656 VanDerWaalsContact O-N 3.12Å; G653-S656 PolarHBondContact O-OG 3.21Å; G653-S656 VanDerWaalsContact O-OG 3.12Å; L654-S656 PolarHBondContact O-N 3.05Å
657	H	38.8	Very low	36.3	Very low	62 Å²	62	107.8 Å²	107.8	29%	0.287	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120	-26.4	-171.7	-67.3	-14.4	0	0	0	114.6	E540 F659 K660	E540-H657 WeakPolarHBondContact OE1-CB 3.14Å; E540-H657 WeakPolarHBondContact OE2-CB 3.26Å; H657-F659 PolarHBondContact O-N 3.04Å; H657-K660 PolarHBondContact O-N 2.88Å; H657-K660 VanDerWaalsContact O-N 3.09Å
658	L	39.9	Very low	35.3	Very low	26 Å²	26	109.5 Å²	109.5	14%	0.136	59%	0.592	C	S	.	*	T	Hydrogen-bonded Turn	trans	-24.5	-28.7	169.5	-121.6	150.1	0	0	0	119.1	Y536 M537	Y536-L658 WeakPolarHBondContact O-CD2 3.28Å; M537-L658 HydrophobicContact CE-CD1 3.95Å; M537-L658 HydrophobicContact CE-CD2 3.97Å; M537-L658 HydrophobicContact SD-CD1 3.9Å; M537-L658 HydrophobicContact SD-CD2 4.18Å; M537-L658 HydrophobicContact SD-CG 4.37Å
659	F	49.8	Very low	34.5	Very low	51 Å²	51	109 Å²	109	22%	0.224	60%	0.599	C	S	.	*	T	Hydrogen-bonded Turn	trans	-138.4	44.8	-179.8	-61.5	-59.3	0	0	0	115.3	P352 R465 Y536 H657	P352-F659 HydrophobicContact CB-CD2 4.05Å; P352-F659 HydrophobicContact CB-CE2 3.83Å; R465-F659 HydrophobicContact CG-CD1 3.92Å; R465-F659 HydrophobicContact CG-CE1 3.52Å; R465-F659 HydrophobicContact CG-CZ 4.02Å; Y536-F659 HydrophobicContact CD1-CE1 4.36Å; Y536-F659 HydrophobicContact CD2-CE1 4.33Å; Y536-F659 HydrophobicContact CG-CE1 4.07Å; H657-F659 PolarHBondContact O-N 3.04Å
660	K	36.8	Very low	33.8	Very low	127 Å²	127	112.6 Å²	112.6	55%	0.552	61%	0.608	S	S	*	*			trans	-57.5	139.5	153.6	-64.7	-177.1	-158.2	116.9	0	109.2	E540 H657	E540-K660 IonicContact OE1-NZ 2.81Å; E540-K660 PolarHBondContact OE1-NZ 3.46Å; H657-K660 PolarHBondContact O-N 2.88Å; H657-K660 VanDerWaalsContact O-N 3.09Å
661	Q	36.5	Very low	33	Very low	125 Å²	125	111.1 Å²	111.1	58%	0.584	62%	0.617	S	S	*	*			trans	-101	128.1	167.9	-71	-176.3	-37.4	0	0	108.4	T663	Q661-T663 PolarHBondContact O-N 3.36Å; Q661-T663 VanDerWaalsContact O-N 3.08Å
662	H	30.7	Very low	32.3	Very low	178 Å²	178	106.6 Å²	106.6	82%	0.824	61%	0.612	S	S	*	*			trans	-65.5	108.3	160.5	-69.3	-74.7	0	0	0	108	S664	H662-S664 VanDerWaalsContact C-N 3.34Å; H662-S664 PolarHBondContact O-N 3.18Å
663	T	23.9	Very low	31.7	Very low	122 Å²	122	110.4 Å²	110.4	75%	0.748	63%	0.627	S	S	*	*			trans	-74.8	88.5	170	48.3	0	0	0	0	109	Q661 E665	Q661-T663 PolarHBondContact O-N 3.36Å; Q661-T663 VanDerWaalsContact O-N 3.08Å; T663-E665 PolarHBondContact O-N 2.87Å
664	S	25.2	Very low	30.8	Very low	103 Å²	103	115.8 Å²	115.8	72%	0.72	65%	0.648	S	S	*	*			trans	-64.8	117.5	160	44.3	0	0	0	0	108.5	H662 V666	H662-S664 VanDerWaalsContact C-N 3.34Å; H662-S664 PolarHBondContact O-N 3.18Å; S664-V666 PolarHBondContact O-N 3.49Å
665	E	25.2	Very low	30.1	Very low	189 Å²	189	115 Å²	115	88%	0.883	65%	0.649	S	S	*	*			trans	-68.7	97.6	-174.8	-65.4	-171.9	132	0	0	111.3	T663	T663-E665 PolarHBondContact O-N 2.87Å
666	V	23.3	Very low	29.2	Very low	124 Å²	124	115.5 Å²	115.5	75%	0.752	66%	0.661	S	S	*	*			trans	-103.5	88.8	165.7	-176.4	0	0	0	0	108.2	S664 H668	S664-V666 PolarHBondContact O-N 3.49Å; V666-H668 PolarHBondContact O-N 3.19Å; V666-H668 VanDerWaalsContact O-N 3.07Å
667	S	25.9	Very low	28.6	Very low	107 Å²	107	119.7 Å²	119.7	75%	0.748	70%	0.697	S	S	*	*			trans	-74	92.3	-176.1	57.5	0	0	0	0	112.6
668	H	23.5	Very low	28	Very low	184 Å²	184	121.4 Å²	121.4	85%	0.852	72%	0.716	S	S	*	*			trans	-137.8	144.8	158	-84.4	-56.1	0	0	0	111.8	V666	V666-H668 PolarHBondContact O-N 3.19Å; V666-H668 VanDerWaalsContact O-N 3.07Å
669	A	30	Very low	27.3	Very low	101 Å²	101	128.4 Å²	128.4	84%	0.835	75%	0.753	S	S	*	*			trans	-86	136	-159.3	0	0	0	0	0	113.9
670	T	23.7	Very low	26.3	Very low	140 Å²	140	130.1 Å²	130.1	86%	0.859	79%	0.785	S	S	*	*			trans	-118.9	133.5	150.6	44.7	0	0	0	0	108.2	A672	T670-A672 PolarHBondContact O-N 3.02Å
671	S	24.2	Very low	25.7	Very low	122 Å²	122	127.4 Å²	127.4	85%	0.853	79%	0.792	S	S	*	*			trans	-73.2	118.7	-174.4	51.1	0	0	0	0	111.4
672	A	25.6	Very low	25.1	Very low	78 Å²	78	127 Å²	127	65%	0.645	80%	0.803	S	S	*	*			trans	-67.1	135	170.4	0	0	0	0	0	110.9	T670 D674	T670-A672 PolarHBondContact O-N 3.02Å; A672-D674 PolarHBondContact O-N 2.83Å
673	L	23.8	Very low	25	Very low	171 Å²	171	125.5 Å²	125.5	90%	0.895	81%	0.807	S	S	*	*			trans	-88.9	86.8	157.9	-85.7	165.8	0	0	0	107.5	V675	L673-V675 PolarHBondContact O-N 3.43Å
674	D	21	Very low	25	Very low	147 Å²	147	127.7 Å²	127.7	79%	0.786	81%	0.808	S	S	*	*			trans	-65.2	124.1	173.6	-75.4	-41.6	0	0	0	110.4	A672	A672-D674 PolarHBondContact O-N 2.83Å
675	V	23.2	Very low	25.3	Very low	134 Å²	134	128.8 Å²	128.8	81%	0.812	81%	0.813	S	S	*	*			trans	-109.3	112.3	166	-178.4	0	0	0	0	107.4	L673	L673-V675 PolarHBondContact O-N 3.43Å
676	P	23.3	Very low	25.6	Very low	113 Å²	113	128.2 Å²	128.2	73%	0.734	82%	0.815	S	S	*	*			trans	-73.2	132	-168.7	27.6	-34.5	0	0	0	112.6	S678	P676-S678 PolarHBondContact O-N 3.24Å; P676-S678 VanDerWaalsContact O-N 3.08Å
677	A	26	Very low	26.1	Very low	110 Å²	110	127.8 Å²	127.8	91%	0.909	81%	0.808	S	S	*	*			trans	-79.4	86.8	179.6	0	0	0	0	0	112.3
678	S	25.7	Very low	26.6	Very low	97 Å²	97	125 Å²	125	68%	0.678	80%	0.797	S	S	*	*			trans	-154.5	109.2	164.2	65.2	0	0	0	0	113.6	P676	P676-S678 PolarHBondContact O-N 3.24Å; P676-S678 VanDerWaalsContact O-N 3.08Å
679	L	25.3	Very low	27.2	Very low	174 Å²	174	120 Å²	120	91%	0.911	78%	0.779	S	S	*	*			trans	172.1	129.8	132.3	-94.7	160.5	0	0	0	110
680	G	30.3	Very low	27.5	Very low	87 Å²	87	120.9 Å²	120.9	90%	0.897	77%	0.769	S	S	*	*			trans	-80.3	120.5	165.5	0	0	0	0	0	109.6
681	G	23.9	Very low	28.2	Very low	69 Å²	69	119.9 Å²	119.9	71%	0.711	76%	0.758	S	S	*	*			trans	-149.9	154.1	179.9	0	0	0	0	0	111.3
682	S	24.4	Very low	28.9	Very low	117 Å²	117	116.5 Å²	116.5	82%	0.818	74%	0.738	S	S	*	*			trans	-68.3	140.7	179.8	45.6	0	0	0	0	112.1	E684	S682-E684 PolarHBondContact O-N 2.57Å
683	V	27.1	Very low	29.4	Very low	147 Å²	147	118.2 Å²	118.2	89%	0.891	73%	0.732	S	S	*	*			trans	-73	114.5	176	-180	0	0	0	0	110.3
684	E	25.2	Very low	30.1	Very low	168 Å²	168	112.5 Å²	112.5	79%	0.785	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-101.5	153.3	155.2	-71.8	-165.5	154	0	0	109.2	S682	S682-E684 PolarHBondContact O-N 2.57Å
685	P	30.1	Very low	31.1	Very low	126 Å²	126	108.2 Å²	108.2	82%	0.818	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-67.9	142.7	-176.5	27.9	-35	0	0	0	112.2
686	L	32.5	Very low	31.9	Very low	177 Å²	177	107.9 Å²	107.9	93%	0.927	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-66	139.7	-178.9	-77.5	161.4	0	0	0	112.4
687	D	34.3	Very low	32.5	Very low	114 Å²	114	108.9 Å²	108.9	61%	0.61	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-78.7	151.1	-175.2	-177.1	35.5	0	0	0	113.2	T689	D687-T689 PolarHBondContact O-N 3.16Å; D687-T689 VanDerWaalsContact O-N 3.12Å; D687-T689 VanDerWaalsContact OD2-CG2 3.3Å; D687-T689 WeakPolarHBondContact OD2-CG2 3.46Å; D687-T689 PolarHBondContact OD2-OG1 2.96Å
688	G	34.9	Very low	33.3	Very low	50 Å²	50	104.6 Å²	104.6	52%	0.515	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.9	-7.8	-174	0	0	0	0	0	115.1	L690 L691 A692	G688-L690 PolarHBondContact O-N 3.16Å; G688-L691 PolarHBondContact O-N 3.17Å; G688-A692 PolarHBondContact O-N 3.04Å
689	T	37.4	Very low	34.2	Very low	77 Å²	77	104.7 Å²	104.7	47%	0.472	62%	0.62	S	S	.	*	H	α-helix	trans	-64.5	-34.5	-177.6	38.1	0	0	0	0	113.9	D687 L691 A692 Q693	D687-T689 PolarHBondContact O-N 3.16Å; D687-T689 VanDerWaalsContact O-N 3.12Å; D687-T689 VanDerWaalsContact OD2-CG2 3.3Å; D687-T689 WeakPolarHBondContact OD2-CG2 3.46Å; D687-T689 PolarHBondContact OD2-OG1 2.96Å; T689-L691 PolarHBondContact O-N 3.41Å; T689-A692 WeakPolarHBondContact O-CB 3.23Å; T689-A692 PolarHBondContact O-N 3.12Å; T689-Q693 WeakPolarHBondContact O-CG 3.34Å; T689-Q693 PolarHBondContact O-N 3.15Å; T689-Q693 VanDerWaalsContact O-N 3.09Å
690	L	35.3	Very low	34.7	Very low	120 Å²	120	103.4 Å²	103.4	63%	0.628	61%	0.614	S	S	*	*	H	α-helix	trans	-69.5	-33.9	179.6	-160.6	76.8	0	0	0	112.5	G688 T694	G688-L690 PolarHBondContact O-N 3.16Å; L690-T694 PolarHBondContact O-N 3.11Å; L690-T694 VanDerWaalsContact O-N 3.15Å; L690-T694 PolarHBondContact O-OG1 3.01Å
691	L	39.1	Very low	34.9	Very low	119 Å²	119	102.8 Å²	102.8	62%	0.623	60%	0.595	S	S	*	*	H	α-helix	trans	-69.4	-39.5	174.7	-112.3	156.2	0	0	0	111	G688 T689 T694 T695	G688-L691 PolarHBondContact O-N 3.17Å; T689-L691 PolarHBondContact O-N 3.41Å; L691-T694 PolarHBondContact O-N 3.44Å; L691-T694 PolarHBondContact O-OG1 3.38Å; L691-T695 WeakPolarHBondContact O-CG2 3.4Å; L691-T695 PolarHBondContact O-N 3.25Å; L691-T695 VanDerWaalsContact O-N 3.08Å; L691-T695 PolarHBondContact O-OG1 3.23Å
692	A	38.7	Very low	35.2	Very low	52 Å²	52	102.8 Å²	102.8	43%	0.43	60%	0.595	S	S	.	*	H	α-helix	trans	-58.9	-50.9	172.9	0	0	0	0	0	111.2	G688 T689 T694 T695 E696	G688-A692 PolarHBondContact O-N 3.04Å; T689-A692 WeakPolarHBondContact O-CB 3.23Å; T689-A692 PolarHBondContact O-N 3.12Å; A692-T694 PolarHBondContact O-N 3.15Å; A692-T695 PolarHBondContact O-N 3.03Å; A692-T695 VanDerWaalsContact O-N 3.11Å; A692-T695 PolarHBondContact O-OG1 3.02Å; A692-E696 PolarHBondContact O-N 3.06Å
693	Q	36.7	Very low	35.9	Very low	113 Å²	113	100.6 Å²	100.6	53%	0.528	57%	0.573	S	S	.	*	H	α-helix	trans	-59.3	-40.6	-179.7	-72.2	174.3	-13	0	0	113.2	T689 E696 M697	T689-Q693 WeakPolarHBondContact O-CG 3.34Å; T689-Q693 PolarHBondContact O-N 3.15Å; T689-Q693 VanDerWaalsContact O-N 3.09Å; Q693-E696 PolarHBondContact O-N 3.24Å; Q693-M697 WeakPolarHBondContact O-CG 3.26Å; Q693-M697 PolarHBondContact O-N 3.1Å
694	T	37.1	Very low	36.1	Very low	52 Å²	52	97.6 Å²	97.6	32%	0.319	57%	0.572	S	S	.	*	H	α-helix	trans	-70	-34.3	176	53	0	0	0	0	112.6	L690 L691 A692 E696 L698	L690-T694 PolarHBondContact O-N 3.11Å; L690-T694 VanDerWaalsContact O-N 3.15Å; L690-T694 PolarHBondContact O-OG1 3.01Å; L691-T694 PolarHBondContact O-N 3.44Å; L691-T694 PolarHBondContact O-OG1 3.38Å; A692-T694 PolarHBondContact O-N 3.15Å; T694-E696 VanDerWaalsContact C-N 3.32Å; T694-L698 WeakPolarHBondContact O-CG 3.24Å; T694-L698 PolarHBondContact O-N 3.17Å; T694-L698 VanDerWaalsContact O-N 3.15Å
695	T	42.8	Very low	36.5	Very low	56 Å²	56	93.8 Å²	93.8	34%	0.344	56%	0.556	S	S	.	*	H	α-helix	trans	-70.1	-26.8	171.7	61.5	0	0	0	0	113.7	L691 A692 K699	L691-T695 WeakPolarHBondContact O-CG2 3.4Å; L691-T695 PolarHBondContact O-N 3.25Å; L691-T695 VanDerWaalsContact O-N 3.08Å; L691-T695 PolarHBondContact O-OG1 3.23Å; A692-T695 PolarHBondContact O-N 3.03Å; A692-T695 VanDerWaalsContact O-N 3.11Å; A692-T695 PolarHBondContact O-OG1 3.02Å; T695-K699 PolarHBondContact O-N 3.03Å
696	E	38.9	Very low	36.5	Very low	127 Å²	127	94.8 Å²	94.8	59%	0.593	56%	0.555	S	S	*	*	H	α-helix	trans	-72.3	-47	175.4	-159.5	157.9	-134	0	0	110.5	A692 Q693 T694 L698 K699 D700	A692-E696 PolarHBondContact O-N 3.06Å; Q693-E696 PolarHBondContact O-N 3.24Å; T694-E696 VanDerWaalsContact C-N 3.32Å; E696-L698 PolarHBondContact O-N 2.66Å; E696-K699 PolarHBondContact O-N 3.1Å; E696-D700 PolarHBondContact O-N 2.95Å; E696-D700 VanDerWaalsContact O-N 3.07Å
697	M	36.9	Very low	36.3	Very low	134 Å²	134	90.5 Å²	90.5	66%	0.66	54%	0.54	S	S	*	.	H	α-helix	trans	-57.7	-33.2	171.2	-69.3	-178.6	70.6	0	0	113.6	Q693 C701	Q693-M697 WeakPolarHBondContact O-CG 3.26Å; Q693-M697 PolarHBondContact O-N 3.1Å; M697-C701 PolarHBondContact O-N 3.03Å; M697-C701 PolarHBondContact O-SG 2.66Å
698	L	43.3	Very low	36.2	Very low	21 Å²	21	93.9 Å²	93.9	11%	0.11	55%	0.552	C	S	.	*	H	α-helix	trans	-70.9	-34.1	175.5	-75	166.2	0	0	0	112.5	V330 T694 E696 C701 M703 L705	V330-L698 HydrophobicContact CG1-CD1 4.38Å; T694-L698 WeakPolarHBondContact O-CG 3.24Å; T694-L698 PolarHBondContact O-N 3.17Å; T694-L698 VanDerWaalsContact O-N 3.15Å; E696-L698 PolarHBondContact O-N 2.66Å; L698-C701 PolarHBondContact O-N 3.21Å; L698-M703 HydrophobicContact CD2-CE 4.2Å; L698-M703 WeakPolarHBondContact O-CB 2.94Å; L698-M703 PolarHBondContact O-N 3Å; L698-L705 HydrophobicContact CB-CD1 4.47Å; L698-L705 HydrophobicContact CD1-CD1 4.28Å
699	K	43.2	Very low	36	Very low	99 Å²	99	96.6 Å²	96.6	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-69.2	-42.9	174.5	-75.4	179	177.2	179.8	0	111.8	T695 E696 C701 G702 S707	T695-K699 PolarHBondContact O-N 3.03Å; E696-K699 PolarHBondContact O-N 3.1Å; K699-C701 PolarHBondContact O-N 2.97Å; K699-G702 PolarHBondContact O-N 2.67Å; K699-S707 PolarHBondContact NZ-OG 3.28Å
700	D	36.8	Very low	35.7	Very low	147 Å²	147	99.6 Å²	99.6	79%	0.786	58%	0.575	S	S	*	*	H	α-helix	trans	-61.8	-26.1	173.2	-76.9	-9.4	0	0	0	112.6	E696 G702	E696-D700 PolarHBondContact O-N 2.95Å; E696-D700 VanDerWaalsContact O-N 3.07Å; D700-G702 PolarHBondContact O-N 3.16Å
701	C	34.5	Very low	35.4	Very low	73 Å²	73	101.2 Å²	101.2	49%	0.493	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.3	6	172.2	-71.4	0	0	0	0	114.7	M697 L698 K699	M697-C701 PolarHBondContact O-N 3.03Å; M697-C701 PolarHBondContact O-SG 2.66Å; L698-C701 PolarHBondContact O-N 3.21Å; K699-C701 PolarHBondContact O-N 2.97Å
702	G	31.1	Very low	34.7	Very low	70 Å²	70	106.9 Å²	106.9	72%	0.722	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.8	13.6	178.3	0	0	0	0	0	115	K699 D700 G704	K699-G702 PolarHBondContact O-N 2.67Å; D700-G702 PolarHBondContact O-N 3.16Å; G702-G704 PolarHBondContact O-N 3.34Å
703	M	37.8	Very low	34.3	Very low	70 Å²	70	110.3 Å²	110.3	35%	0.345	62%	0.615	S	S	.	*			trans	-87	109.3	-179.1	-59.2	-106.3	-73.4	0	0	110.1	L698 L705	L698-M703 HydrophobicContact CD2-CE 4.2Å; L698-M703 WeakPolarHBondContact O-CB 2.94Å; L698-M703 PolarHBondContact O-N 3Å; M703-L705 VanDerWaalsContact C-N 3.31Å; M703-L705 PolarHBondContact O-N 2.6Å
704	G	32.4	Very low	33.8	Very low	85 Å²	85	114.6 Å²	114.6	88%	0.876	64%	0.635	S	S	*	*			trans	-70.3	77.7	178.2	0	0	0	0	0	113.3	G702	G702-G704 PolarHBondContact O-N 3.34Å
705	L	33.3	Very low	33.4	Very low	87 Å²	87	117.5 Å²	117.5	46%	0.455	66%	0.657	S	S	.	*			trans	-96.7	106.2	172.7	-68.4	174.4	0	0	0	110.5	L698 M703 S707	L698-L705 HydrophobicContact CB-CD1 4.47Å; L698-L705 HydrophobicContact CD1-CD1 4.28Å; M703-L705 VanDerWaalsContact C-N 3.31Å; M703-L705 PolarHBondContact O-N 2.6Å; L705-S707 PolarHBondContact O-N 3.39Å
706	D	29.2	Very low	32.8	Very low	148 Å²	148	123.5 Å²	123.5	79%	0.791	69%	0.687	S	S	*	*			trans	-66.3	102.7	176.8	-99.2	-34.8	0	0	0	111.2	Q708 S709	D706-Q708 PolarHBondContact O-N 2.63Å; D706-S709 PolarHBondContact O-OG 2.86Å
707	S	29.5	Very low	32.3	Very low	87 Å²	87	120.8 Å²	120.8	61%	0.608	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	37.7	-173.4	48.8	0	0	0	0	114.3	K699 L705	K699-S707 PolarHBondContact NZ-OG 3.28Å; L705-S707 PolarHBondContact O-N 3.39Å
708	Q	31.2	Very low	31.9	Very low	185 Å²	185	123.8 Å²	123.8	86%	0.864	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	-13.2	174.7	-66.1	-164.2	6.9	0	0	114.4	D706	D706-Q708 PolarHBondContact O-N 2.63Å
709	S	31.3	Very low	31.2	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	74%	0.743	S	S	*	*	S	Bend	trans	-81.1	-14.1	-176.6	54.7	0	0	0	0	115.3	D706	D706-S709 PolarHBondContact O-OG 2.86Å
710	I	31	Very low	30.4	Very low	140 Å²	140	135.3 Å²	135.3	72%	0.718	76%	0.762	S	S	*	*	S	Bend	trans	-92.2	-13	-163.1	-64.7	177.1	0	0	0	114.1
711	L	28.9	Very low	29.9	Very low	154 Å²	154	138.6 Å²	138.6	81%	0.806	76%	0.763	S	S	*	*	S	Bend	trans	-133.6	86.1	-172	-71.3	176.1	0	0	0	115.1
712	R	25	Very low	29.5	Very low	237 Å²	237	142.4 Å²	142.4	89%	0.894	77%	0.774	S	S	*	*			trans	-172.8	121.7	142.4	-102.1	154	-157.4	-150.8	5.2	111.4
713	P	28.8	Very low	29.3	Very low	125 Å²	125	145.1 Å²	145.1	81%	0.812	78%	0.776	S	S	*	*			trans	-74.7	140.1	159.6	31.9	-31.7	0	0	0	109.6
714	E	26.5	Very low	28.8	Very low	203 Å²	203	148.6 Å²	148.6	95%	0.949	80%	0.801	S	S	*	*			trans	-73.2	145.8	171.2	-62.4	-171.6	127	0	0	110.7
715	S	29.1	Very low	28.6	Very low	112 Å²	112	153.9 Å²	153.9	78%	0.783	80%	0.8	S	S	*	*			trans	-135.8	118.7	174.9	66.1	0	0	0	0	110.1
716	D	30.4	Very low	28.3	Very low	182 Å²	182	154.8 Å²	154.8	97%	0.973	81%	0.814	S	S	*	*			trans	-54.4	136.5	-179.1	-89.6	-59.4	0	0	0	113.4
717	G	27.7	Very low	28.3	Very low	71 Å²	71	154 Å²	154	73%	0.732	81%	0.814	S	S	*	*			trans	-154.9	64.6	-170.4	0	0	0	0	0	114	K719	G717-K719 PolarHBondContact O-N 3.14Å
718	H	29	Very low	28.5	Very low	197 Å²	197	155.1 Å²	155.1	91%	0.912	82%	0.822	S	S	*	*			trans	-46.1	124.8	174.6	-96	-21.2	0	0	0	113.6
719	K	29.1	Very low	28.9	Very low	207 Å²	207	151.9 Å²	151.9	90%	0.9	82%	0.817	S	S	*	*			trans	-154.7	151.2	150.3	-109.3	149.4	-168.9	170.5	0	111.6	G717	G717-K719 PolarHBondContact O-N 3.14Å
720	N	26.3	Very low	29	Very low	155 Å²	155	154.9 Å²	154.9	83%	0.829	82%	0.819	S	S	*	*			trans	-95.5	165.1	-169.8	-78.1	-55.8	0	0	0	113.2
721	R	26	Very low	29.3	Very low	216 Å²	216	154.4 Å²	154.4	82%	0.815	82%	0.823	S	S	*	*			trans	76.7	152.3	165.1	-68.8	169.2	166.9	-149.8	4.3	115.9
722	E	25.3	Very low	29.6	Very low	153 Å²	153	162.2 Å²	162.2	72%	0.715	84%	0.842	S	S	*	*			cis	-141.9	177.6	3.1	-140.2	140	-133.3	0	0	113.1
723	V	27.8	Very low	29.8	Very low	127 Å²	127	158.5 Å²	158.5	77%	0.77	84%	0.839	S	S	*	*			trans	-101.7	127.3	-171.7	175.2	0	0	0	0	112.4
724	T	27	Very low	29.9	Very low	143 Å²	143	160.2 Å²	160.2	88%	0.877	84%	0.841	S	S	*	*			trans	-141.2	141.6	157.8	43.8	0	0	0	0	111.8
725	K	27.5	Very low	30.1	Very low	196 Å²	196	157.8 Å²	157.8	85%	0.852	84%	0.835	S	S	*	*			trans	-107.5	141.2	176.6	-62.8	175.9	178.2	178.6	0	111.1
726	S	28.3	Very low	30.1	Very low	106 Å²	106	160.5 Å²	160.5	74%	0.741	84%	0.838	S	S	*	*			trans	-163.5	97.4	154.4	51.3	0	0	0	0	108.8
727	T	29.4	Very low	30.1	Very low	131 Å²	131	159.2 Å²	159.2	80%	0.804	83%	0.829	S	S	*	*				61	112.9	86.9	61.5	0	0	0	0	114.4
728	S	32	Very low	30.3	Very low	111 Å²	111	165.1 Å²	165.1	78%	0.776	84%	0.836	S	S	*	*			trans	-67	160.6	163.5	45.4	0	0	0	0	112.2
729	P	41.3	Very low	30.4	Very low	116 Å²	116	162.8 Å²	162.8	75%	0.753	83%	0.83	S	S	*	*				-118	148.5	107.9	-1.6	22.1	0	0	0	110.6
730	E	32.2	Very low	30.5	Very low	170 Å²	170	159.4 Å²	159.4	79%	0.794	83%	0.825	S	S	*	*			cis	91.7	105.9	46.5	-160.9	174.5	-113.7	0	0	112.8
731	T	36.8	Very low	30.8	Very low	130 Å²	130	159.8 Å²	159.8	80%	0.798	83%	0.825	S	S	*	*			trans	39.4	116.3	162.9	58.1	0	0	0	0	120.6
732	R	36.3	Very low	31.3	Very low	318 Å²	318	154.6 Å²	154.6	100%	1.2	83%	0.825	S	S	*	*				-149.5	0	108.2	-133.6	177.5	-171.2	178.6	2.9	112.5

Retrieved 732 of 732 residues in 677.3 ms (Link to these results)

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