A0A096NH85_PAPAN Loading...

medium-chain acyl-CoA ligase

AlphaFold DB , UniProt , Accession A0A096NH85, Species PAPAN (Papio anubis, Olive baboon), Gene ACSM3, Length 586 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	36	Very low	28.4	Very low	242 Å²	242	150.4 Å²	150.4	100%	1.192	81%	0.805	S	S	*	*				0	58.9	0	-164.2	175.2	-73.3	0	0	108.3
2	L	30.9	Very low	27.9	Very low	177 Å²	177	153.6 Å²	153.6	93%	0.927	81%	0.81	S	S	*	*			trans	-157.9	27.2	-162.3	-144.1	83	0	0	0	112
3	A	25.1	Very low	27.5	Very low	74 Å²	74	148.3 Å²	148.3	61%	0.612	80%	0.802	S	S	*	*			trans	-157.2	42.9	-169.5	0	0	0	0	0	112.8
4	C	28.7	Very low	27.1	Very low	142 Å²	142	152.4 Å²	152.4	96%	0.959	81%	0.809	S	S	*	*	S	Bend	trans	-100	-1.2	162.3	-83.6	0	0	0	0	112.5
5	V	37.6	Very low	26.6	Very low	121 Å²	121	149.2 Å²	149.2	73%	0.733	80%	0.802	S	S	*	*	S	Bend	trans	-108.4	130.8	169.6	-176.6	0	0	0	0	106.2
6	T	30.5	Very low	26.4	Very low	106 Å²	106	150.3 Å²	150.3	65%	0.65	80%	0.797	S	S	*	*	S	Bend	trans	59.5	96.9	-174.9	51.7	0	0	0	0	118.4
7	M	26	Very low	26.1	Very low	140 Å²	140	150.5 Å²	150.5	69%	0.69	79%	0.793	S	S	*	*			trans	50.1	108.8	153.7	-62.3	178.4	76.8	0	0	120	M9 M71	M7-M9 HydrophobicContact CE-CG 4.05Å; M7-M9 HydrophobicContact CE-SD 4.22Å; M7-M71 HydrophobicContact SD-CE 4.11Å
8	K	24.6	Very low	26	Very low	205 Å²	205	154.5 Å²	154.5	89%	0.891	80%	0.795	S	S	*	*			trans	-93	126.3	145.4	-88.7	-175.3	172.5	-178.2	0	109.9
9	M	26.7	Very low	25.8	Very low	138 Å²	138	155 Å²	155	68%	0.68	80%	0.799	S	S	*	*			trans	-100.3	152.9	174.8	-76.5	-155.9	-61.5	0	0	112.7	M7	M7-M9 HydrophobicContact CE-CG 4.05Å; M7-M9 HydrophobicContact CE-SD 4.22Å
10	L	23.9	Very low	25.7	Very low	142 Å²	142	153.3 Å²	153.3	74%	0.743	80%	0.796	S	S	*	*			trans	26.8	107.7	155.2	-74.2	86.2	0	0	0	119
11	H	22.3	Very low	25.7	Very low	167 Å²	167	153.5 Å²	153.5	77%	0.773	80%	0.796	S	S	*	*				179.1	113.6	112.8	-109.4	38.4	0	0	0	112.7
12	H	23.3	Very low	25.2	Very low	189 Å²	189	151.9 Å²	151.9	88%	0.875	78%	0.783	S	S	*	*				-176.4	154.8	113.4	-103.4	15	0	0	0	111.1
13	A	21.5	Very low	24.9	Very low	85 Å²	85	147.1 Å²	147.1	70%	0.702	78%	0.776	S	S	*	*			trans	-122.5	159.8	-169.7	0	0	0	0	0	111.9
14	K	22.1	Very low	25.1	Very low	206 Å²	206	149 Å²	149	90%	0.896	79%	0.785	S	S	*	*			trans	69	139.9	179	-49.1	170.1	-179.1	177.1	0	112
15	C	20.8	Very low	25.1	Very low	104 Å²	104	148.8 Å²	148.8	70%	0.703	78%	0.779	S	S	*	*			cis	-150.4	-157.7	0.2	-132.1	0	0	0	0	107.7
16	F	22	Very low	24.7	Very low	167 Å²	167	154.6 Å²	154.6	73%	0.732	79%	0.788	S	S	*	*			cis	-148.4	147.1	7.3	-128.1	-68.4	0	0	0	110.1
17	Q	22.6	Very low	24.5	Very low	154 Å²	154	153 Å²	153	72%	0.72	79%	0.785	S	S	*	*			trans	18.1	133.6	158.3	-74.2	170.4	-8.5	0	0	125.2
18	R	24.1	Very low	24.8	Very low	222 Å²	222	154.9 Å²	154.9	84%	0.838	80%	0.797	S	S	*	*				38.4	127.3	129.5	-66	-177.1	170.6	-171.7	-3.1	120.6
19	L	22.5	Very low	25	Very low	164 Å²	164	152.8 Å²	152.8	86%	0.859	79%	0.79	S	S	*	*				-151.4	122.1	119.3	-110.6	152.1	0	0	0	110.8
20	T	23.4	Very low	25.4	Very low	121 Å²	121	156 Å²	156	74%	0.742	80%	0.8	S	S	*	*			trans	-110.1	126.4	175	41.6	0	0	0	0	109.6
21	I	25.5	Very low	26	Very low	157 Å²	157	154.4 Å²	154.4	81%	0.805	79%	0.793	S	S	*	*			trans	-136.6	141.6	158.1	-60.4	-174.2	0	0	0	108.8
22	F	25.6	Very low	26.9	Very low	209 Å²	209	153.4 Å²	153.4	92%	0.917	79%	0.793	S	S	*	*			trans	-77.9	154.1	-177.4	-85.2	-107.6	0	0	0	113.2
23	G	24.8	Very low	28.2	Very low	76 Å²	76	154.5 Å²	154.5	78%	0.784	79%	0.79	S	S	*	*			trans	-171.9	90.1	168.3	0	0	0	0	0	111.9
24	S	29	Very low	30.6	Very low	114 Å²	114	157.2 Å²	157.2	80%	0.797	78%	0.782	S	S	*	*			trans	-89.8	113.4	-179.7	179.4	0	0	0	0	111.4
25	V	27.8	Very low	33.2	Very low	138 Å²	138	149.3 Å²	149.3	84%	0.836	76%	0.755	S	S	*	*			trans	-136.4	109.8	159.5	-177.9	0	0	0	0	108.5	A27	V25-A27 PolarHBondContact O-N 3.36Å; V25-A27 VanDerWaalsContact O-N 3.09Å
26	R	29.4	Very low	36	Very low	243 Å²	243	150.1 Å²	150.1	92%	0.917	76%	0.757	S	S	*	*			trans	-75.1	92.2	172.8	-91	-179.1	167.2	172.1	-3.8	110.1
27	A	27.5	Very low	38.8	Very low	72 Å²	72	143 Å²	143	60%	0.595	73%	0.727	S	S	*	*			trans	-90.9	124.4	157.4	0	0	0	0	0	109.2	V25 H29	V25-A27 PolarHBondContact O-N 3.36Å; V25-A27 VanDerWaalsContact O-N 3.09Å; A27-H29 PolarHBondContact O-N 2.89Å
28	L	31.1	Very low	41.8	Very low	179 Å²	179	139.9 Å²	139.9	94%	0.937	71%	0.713	S	S	*	*			trans	-73.3	80.1	167	-89.1	107.6	0	0	0	109.7
29	H	29.8	Very low	44.7	Very low	161 Å²	161	131 Å²	131	75%	0.745	68%	0.682	S	S	*	*			trans	-78.7	128.7	153.9	-77.6	-6.2	0	0	0	108.7	A27 D31	A27-H29 PolarHBondContact O-N 2.89Å; H29-D31 PolarHBondContact O-N 3.35Å
30	K	35.6	Very low	47.6	Very low	205 Å²	205	124.4 Å²	124.4	89%	0.891	65%	0.646	S	S	*	*			trans	-63.5	90.9	156.8	-84.2	-177.7	173.8	178.9	0	106.3	N32	K30-N32 VanDerWaalsContact C-N 3.31Å; K30-N32 PolarHBondContact O-N 3.4Å
31	D	34.6	Very low	50.4	Low	110 Å²	110	122.9 Å²	122.9	59%	0.588	64%	0.641	S	S	*	*			trans	-67.2	90.2	-175.4	-163.2	30.5	0	0	0	108.2	H29 R33	H29-D31 PolarHBondContact O-N 3.35Å; D31-R33 HydrophobicContact CB-CG 4.48Å; D31-R33 PolarHBondContact O-N 3.46Å; D31-R33 WeakPolarHBondContact OD2-CG 3.31Å; D31-R33 IonicContact OD2-CZ 3.7Å; D31-R33 IonicContact OD2-NE 3.66Å; D31-R33 PolarHBondContact OD2-NE 2.92Å; D31-R33 VanDerWaalsContact OD2-NE 3.1Å; D31-R33 IonicContact OD2-NH2 2.63Å
32	N	41.5	Very low	53.3	Low	145 Å²	145	119 Å²	119	78%	0.775	62%	0.622	S	S	*	*			trans	-66	76.6	171.9	-89.4	-17.6	0	0	0	108	K30 R34	K30-N32 VanDerWaalsContact C-N 3.31Å; K30-N32 PolarHBondContact O-N 3.4Å; N32-R34 PolarHBondContact O-N 3.09Å
33	R	52.2	Low	56.3	Low	213 Å²	213	109.8 Å²	109.8	80%	0.804	58%	0.581	S	S	*	*			trans	-65.2	86.8	175.6	-72	-173.9	177.4	-172.9	-0.8	109	D31 A35	D31-R33 HydrophobicContact CB-CG 4.48Å; D31-R33 PolarHBondContact O-N 3.46Å; D31-R33 WeakPolarHBondContact OD2-CG 3.31Å; D31-R33 IonicContact OD2-CZ 3.7Å; D31-R33 IonicContact OD2-NE 3.66Å; D31-R33 PolarHBondContact OD2-NE 2.92Å; D31-R33 VanDerWaalsContact OD2-NE 3.1Å; D31-R33 IonicContact OD2-NH2 2.63Å; R33-A35 PolarHBondContact O-N 3.23Å
34	R	70.6	Confident	59.3	Low	141 Å²	141	110.3 Å²	110.3	53%	0.532	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-53.5	127.4	172.7	-55.2	-176.2	-170.1	174.3	4.5	107.6	N32 T36 G390	N32-R34 PolarHBondContact O-N 3.09Å; R34-T36 PolarHBondContact O-N 2.94Å; R34-G390 WeakPolarHBondContact CD-O 3.35Å; R34-G390 PolarHBondContact NH1-O 2.87Å
35	A	76.4	Confident	61.9	Low	40 Å²	40	105.8 Å²	105.8	33%	0.331	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-57.2	128.3	-179.8	0	0	0	0	0	109.7	R33 K389 G390	R33-A35 PolarHBondContact O-N 3.23Å; A35-K389 HydrophobicContact CB-CD 4.21Å; A35-K389 HydrophobicContact CB-CG 4.32Å; A35-K389 WeakPolarHBondContact O-CB 3.49Å; A35-G390 PolarHBondContact O-N 3.32Å
36	T	80.1	Confident	64.6	Low	121 Å²	121	99.6 Å²	99.6	74%	0.742	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-71.1	132.4	177.8	-47.7	0	0	0	0	109.5	R34	R34-T36 PolarHBondContact O-N 2.94Å
37	P	81.6	Confident	67.3	Low	17 Å²	17	91.4 Å²	91.4	11%	0.11	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-63.6	151.3	171.5	25.4	-34.3	0	0	0	113	F40 K389	P37-F40 HydrophobicContact CB-CD1 3.65Å; P37-F40 HydrophobicContact CB-CD2 3.94Å; P37-F40 HydrophobicContact CB-CE1 3.38Å; P37-F40 HydrophobicContact CB-CE2 3.68Å; P37-F40 HydrophobicContact CB-CG 3.93Å; P37-F40 HydrophobicContact CB-CZ 3.41Å; P37-F40 VanDerWaalsContact CB-CZ 3.41Å; P37-F40 WeakPolarHBondContact CB-O 3.35Å; P37-F40 HydrophobicContact CG-CD2 3.98Å; P37-F40 HydrophobicContact CG-CE1 4.4Å; P37-F40 HydrophobicContact CG-CE2 3.81Å; P37-F40 HydrophobicContact CG-CG 4.35Å; P37-F40 HydrophobicContact CG-CZ 4.04Å; P37-F40 WeakPolarHBondContact CG-O 3.15Å; P37-K389 HydrophobicContact CB-CB 4.02Å
38	Q	84.5	Confident	70	Confident	90 Å²	90	93.9 Å²	93.9	42%	0.421	46%	0.464	S	S	.	.	S	Bend	trans	-93	-35	176.8	-59.6	-175.4	108.9	0	0	112.3	D265 T267 D270	Q38-D265 WeakPolarHBondContact CG-OD2 3.49Å; Q38-D265 VanDerWaalsContact N-CG 3.33Å; Q38-D265 PolarHBondContact N-OD1 3.04Å; Q38-D265 PolarHBondContact N-OD2 3.27Å; Q38-D265 PolarHBondContact NE2-O 3.49Å; Q38-T267 HydrophobicContact CB-CG2 3.83Å; Q38-T267 HydrophobicContact CG-CG2 4.36Å; Q38-D270 PolarHBondContact NE2-OD2 2.95Å
39	N	85	Confident	72.4	Confident	36 Å²	36	91.2 Å²	91.2	19%	0.193	45%	0.451	C	S	.	.	S	Bend	trans	-107.4	-0.5	-168.5	-69	-82	0	0	0	116	R261 D265 L266	N39-R261 HydrophobicContact CB-CG 3.64Å; N39-R261 VanDerWaalsContact CB-O 3.28Å; N39-R261 WeakPolarHBondContact CB-O 3.37Å; N39-R261 PolarHBondContact O-NE 2.96Å; N39-R261 VanDerWaalsContact O-NE 3.13Å; N39-R261 PolarHBondContact O-NH2 3.47Å; N39-D265 WeakPolarHBondContact CB-OD1 3.08Å; N39-D265 PolarHBondContact N-OD1 3.21Å; N39-D265 VanDerWaalsContact ND2-C 3.34Å; N39-D265 PolarHBondContact ND2-OD1 2.85Å; N39-L266 PolarHBondContact ND2-O 3.46Å; N39-L266 PolarHBondContact OD1-O 3.21Å
40	F	84.4	Confident	75	Confident	24 Å²	24	84.8 Å²	84.8	11%	0.105	42%	0.42	C	S	.	.			trans	-154.7	166.5	-178.2	63	-81	0	0	0	110.1	P37 M46 F262 F388 K389	P37-F40 HydrophobicContact CB-CD1 3.65Å; P37-F40 HydrophobicContact CB-CD2 3.94Å; P37-F40 HydrophobicContact CB-CE1 3.38Å; P37-F40 HydrophobicContact CB-CE2 3.68Å; P37-F40 HydrophobicContact CB-CG 3.93Å; P37-F40 HydrophobicContact CB-CZ 3.41Å; P37-F40 VanDerWaalsContact CB-CZ 3.41Å; P37-F40 WeakPolarHBondContact CB-O 3.35Å; P37-F40 HydrophobicContact CG-CD2 3.98Å; P37-F40 HydrophobicContact CG-CE1 4.4Å; P37-F40 HydrophobicContact CG-CE2 3.81Å; P37-F40 HydrophobicContact CG-CG 4.35Å; P37-F40 HydrophobicContact CG-CZ 4.04Å; P37-F40 WeakPolarHBondContact CG-O 3.15Å; F40-M46 HydrophobicContact CB-CB 4.46Å; F40-M46 HydrophobicContact CD2-CB 4.2Å; F40-M46 HydrophobicContact CD2-CG 4.46Å; F40-M46 HydrophobicContact CD2-SD 4.07Å; F40-M46 HydrophobicContact CE2-SD 4.12Å; F40-M46 HydrophobicContact CG-SD 4.31Å; F40-M46 HydrophobicContact CZ-SD 4.39Å; F40-F262 HydrophobicContact CB-CD1 4.16Å; F40-F262 HydrophobicContact CB-CE1 4.14Å; F40-F262 AromaticContact CD1-CD1 3.71Å; F40-F262 HydrophobicContact CD1-CD1 3.71Å; F40-F262 HydrophobicContact CD1-CE1 4.49Å; F40-F262 HydrophobicContact CE1-CB 4.4Å; F40-F262 HydrophobicContact CE1-CD1 4.31Å; F40-F262 WeakPolarHBondContact CE1-O 2.99Å; F40-F262 HydrophobicContact CG-CD1 4.04Å; F40-F388 HydrophobicContact CZ-CB 4.02Å; F40-K389 HydrophobicContact CZ-CB 4.5Å
41	S	81.9	Confident	77.2	Confident	90 Å²	90	83.8 Å²	83.8	63%	0.629	41%	0.411	S	S	*	.	S	Bend	trans	-94	-48.4	-177.4	47.4	0	0	0	0	113.3	S45	S41-S45 PolarHBondContact OG-OG 3.05Å
42	N	86.6	Confident	79.4	Confident	76 Å²	76	81.4 Å²	81.4	41%	0.406	40%	0.398	S	S	.	.			trans	-154.9	172.2	173.4	68.8	72.3	0	0	0	111.4	E44 S45 M46	N42-E44 PolarHBondContact OD1-N 2.9Å; N42-S45 PolarHBondContact ND2-OG 3.17Å; N42-S45 PolarHBondContact O-OG 2.98Å; N42-S45 PolarHBondContact OD1-N 3.42Å; N42-S45 PolarHBondContact OD1-OG 3.09Å; N42-M46 WeakPolarHBondContact O-CB 3.18Å; N42-M46 PolarHBondContact O-N 2.63Å; N42-M46 VanDerWaalsContact O-N 3.14Å
43	Y	88.6	Confident	81.5	Confident	14 Å²	14	83.3 Å²	83.3	6%	0.055	40%	0.402	C	S	.	.	H	α-helix	trans	-64.5	-39.3	-177.4	172	-91.7	0	0	0	114	M46 K47 F388 M391 K400 P401	Y43-M46 HydrophobicContact CD2-CE 3.3Å; Y43-M46 HydrophobicContact CE2-CE 3.7Å; Y43-M46 HydrophobicContact CG-CE 4.15Å; Y43-M46 WeakPolarHBondContact O-CB 3.47Å; Y43-K47 HydrophobicContact CE1-CD 4.2Å; Y43-K47 PolarHBondContact O-N 2.8Å; Y43-K47 PolarHBondContact OH-NZ 3.13Å; Y43-F388 AromaticContact CD2-CD2 3.68Å; Y43-F388 HydrophobicContact CD2-CD2 3.68Å; Y43-F388 HydrophobicContact CD2-CE2 4.1Å; Y43-F388 AromaticContact CE2-CD2 3.93Å; Y43-F388 HydrophobicContact CE2-CD2 3.93Å; Y43-F388 AromaticContact CE2-CE2 3.86Å; Y43-F388 HydrophobicContact CE2-CE2 3.86Å; Y43-M391 HydrophobicContact CD2-SD 3.72Å; Y43-M391 HydrophobicContact CG-SD 4.05Å; Y43-K400 HydrophobicContact CD1-CD 3.85Å; Y43-K400 HydrophobicContact CD2-CB 4.4Å; Y43-K400 HydrophobicContact CE1-CB 4.18Å; Y43-K400 HydrophobicContact CE1-CD 3.48Å; Y43-K400 VanDerWaalsContact CE1-CD 3.48Å; Y43-K400 HydrophobicContact CE2-CB 3.63Å; Y43-K400 HydrophobicContact CE2-CD 4.28Å; Y43-K400 HydrophobicContact CG-CD 4.42Å; Y43-P401 VanDerWaalsContact CE2-O 3.28Å; Y43-P401 WeakPolarHBondContact CE2-O 3.44Å; Y43-P401 PolarHBondContact OH-O 2.72Å
44	E	86.8	Confident	83.3	Confident	87 Å²	87	76.5 Å²	76.5	41%	0.407	38%	0.381	S	S	.	.	H	α-helix	trans	-74.1	-44.8	-173.4	-57.9	-58.7	158.1	0	0	111.1	N42 M46 K47 Q48 K400	N42-E44 PolarHBondContact OD1-N 2.9Å; E44-M46 VanDerWaalsContact C-N 3.33Å; E44-M46 PolarHBondContact O-N 2.96Å; E44-K47 PolarHBondContact O-N 2.67Å; E44-Q48 WeakPolarHBondContact O-CB 3.43Å; E44-Q48 VanDerWaalsContact O-CG 3.3Å; E44-Q48 WeakPolarHBondContact O-CG 3.49Å; E44-Q48 PolarHBondContact O-N 3.24Å; E44-K400 IonicContact OE1-NZ 2.71Å; E44-K400 PolarHBondContact OE1-NZ 2.98Å
45	S	83.6	Confident	84.4	Confident	20 Å²	20	72.7 Å²	72.7	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-40.4	173.1	62.1	0	0	0	0	111.5	S41 N42 K47 Q48 D49	S41-S45 PolarHBondContact OG-OG 3.05Å; N42-S45 PolarHBondContact ND2-OG 3.17Å; N42-S45 PolarHBondContact O-OG 2.98Å; N42-S45 PolarHBondContact OD1-N 3.42Å; N42-S45 PolarHBondContact OD1-OG 3.09Å; S45-K47 VanDerWaalsContact C-N 3.26Å; S45-K47 PolarHBondContact O-N 3.06Å; S45-Q48 PolarHBondContact O-N 3.4Å; S45-D49 VanDerWaalsContact O-CB 3.29Å; S45-D49 WeakPolarHBondContact O-CB 3.34Å; S45-D49 VanDerWaalsContact O-CG 3.28Å; S45-D49 PolarHBondContact O-N 3.01Å
46	M	85.2	Confident	85.3	Confident	8 Å²	8	76.1 Å²	76.1	4%	0.039	38%	0.383	C	S	.	.	H	α-helix	trans	-54.9	-41	172.8	177.6	-164.6	70.7	0	0	112.2	F40 N42 Y43 E44 F50 F262 F388 P403	F40-M46 HydrophobicContact CB-CB 4.46Å; F40-M46 HydrophobicContact CD2-CB 4.2Å; F40-M46 HydrophobicContact CD2-CG 4.46Å; F40-M46 HydrophobicContact CD2-SD 4.07Å; F40-M46 HydrophobicContact CE2-SD 4.12Å; F40-M46 HydrophobicContact CG-SD 4.31Å; F40-M46 HydrophobicContact CZ-SD 4.39Å; N42-M46 WeakPolarHBondContact O-CB 3.18Å; N42-M46 PolarHBondContact O-N 2.63Å; N42-M46 VanDerWaalsContact O-N 3.14Å; Y43-M46 HydrophobicContact CD2-CE 3.3Å; Y43-M46 HydrophobicContact CE2-CE 3.7Å; Y43-M46 HydrophobicContact CG-CE 4.15Å; Y43-M46 WeakPolarHBondContact O-CB 3.47Å; E44-M46 VanDerWaalsContact C-N 3.33Å; E44-M46 PolarHBondContact O-N 2.96Å; M46-F50 WeakPolarHBondContact O-CB 3.34Å; M46-F262 HydrophobicContact CG-CD1 3.51Å; M46-F262 HydrophobicContact CG-CD2 4.25Å; M46-F262 HydrophobicContact CG-CE1 3.5Å; M46-F262 VanDerWaalsContact CG-CE1 3.5Å; M46-F262 HydrophobicContact CG-CE2 4.23Å; M46-F262 HydrophobicContact CG-CG 3.9Å; M46-F262 HydrophobicContact CG-CZ 3.86Å; M46-F262 HydrophobicContact SD-CB 3.53Å; M46-F262 VanDerWaalsContact SD-CB 3.53Å; M46-F262 HydrophobicContact SD-CD1 3.38Å; M46-F262 WeakPolarHBondContact SD-CD1 3.39Å; M46-F262 HydrophobicContact SD-CD2 4.07Å; M46-F262 HydrophobicContact SD-CE1 4.05Å; M46-F262 HydrophobicContact SD-CG 3.39Å; M46-F262 WeakPolarHBondContact SD-CG 3.49Å; M46-F388 HydrophobicContact CE-CD1 4.47Å; M46-F388 HydrophobicContact CE-CD2 4Å; M46-F388 HydrophobicContact CE-CE2 4.13Å; M46-F388 HydrophobicContact CE-CG 4.2Å; M46-F388 HydrophobicContact CE-CZ 4.42Å; M46-P403 HydrophobicContact CE-CG 3.64Å; M46-P403 HydrophobicContact CG-CG 3.52Å; M46-P403 HydrophobicContact SD-CG 3.83Å
47	K	85.6	Confident	86.2	Confident	70 Å²	70	74 Å²	74	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-76.1	-39.8	177.6	-169.4	178.8	-168.7	170.8	0	112.7	Y43 E44 S45	Y43-K47 HydrophobicContact CE1-CD 4.2Å; Y43-K47 PolarHBondContact O-N 2.8Å; Y43-K47 PolarHBondContact OH-NZ 3.13Å; E44-K47 PolarHBondContact O-N 2.67Å; S45-K47 VanDerWaalsContact C-N 3.26Å; S45-K47 PolarHBondContact O-N 3.06Å
48	Q	85.3	Confident	87	Confident	125 Å²	125	73.7 Å²	73.7	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-70.1	-46.4	-177.9	-72.8	175.6	3.2	0	0	112.1	E44 S45 R51	E44-Q48 WeakPolarHBondContact O-CB 3.43Å; E44-Q48 VanDerWaalsContact O-CG 3.3Å; E44-Q48 WeakPolarHBondContact O-CG 3.49Å; E44-Q48 PolarHBondContact O-N 3.24Å; S45-Q48 PolarHBondContact O-N 3.4Å; Q48-R51 PolarHBondContact O-NH1 2.81Å; Q48-R51 PolarHBondContact O-NH2 2.75Å
49	D	80.6	Confident	87.6	Confident	123 Å²	123	69.5 Å²	69.5	66%	0.658	34%	0.34	S	S	*	.	H	α-helix	trans	-87.2	-18.4	-169.5	-58.2	-29.8	0	0	0	113.6	S45 R51	S45-D49 VanDerWaalsContact O-CB 3.29Å; S45-D49 WeakPolarHBondContact O-CB 3.34Å; S45-D49 VanDerWaalsContact O-CG 3.28Å; S45-D49 PolarHBondContact O-N 3.01Å; D49-R51 PolarHBondContact O-N 3.19Å
50	F	85.3	Confident	88.3	Confident	25 Å²	25	67.9 Å²	67.9	11%	0.11	33%	0.331	C	S	.	.			trans	-68.9	106.1	-175.2	-176.7	-106.9	0	0	0	111.7	M46 L52 V258 F262 P403 A404 F435	M46-F50 WeakPolarHBondContact O-CB 3.34Å; F50-L52 HydrophobicContact CE1-CD1 3.99Å; F50-L52 HydrophobicContact CE1-CG 4.47Å; F50-L52 HydrophobicContact CE2-CD1 3.92Å; F50-L52 HydrophobicContact CE2-CG 4.09Å; F50-L52 HydrophobicContact CZ-CD1 3.32Å; F50-L52 HydrophobicContact CZ-CG 3.88Å; F50-V258 HydrophobicContact CE1-CG2 4.5Å; F50-V258 HydrophobicContact CZ-CB 4.29Å; F50-V258 HydrophobicContact CZ-CG2 4.37Å; F50-F262 AromaticContact CD2-CE2 3.63Å; F50-F262 HydrophobicContact CD2-CE2 3.63Å; F50-F262 AromaticContact CD2-CZ 3.67Å; F50-F262 HydrophobicContact CD2-CZ 3.67Å; F50-F262 AromaticContact CE2-CE2 3.62Å; F50-F262 HydrophobicContact CE2-CE2 3.62Å; F50-F262 AromaticContact CE2-CZ 3.98Å; F50-F262 HydrophobicContact CE2-CZ 3.98Å; F50-F262 HydrophobicContact CG-CE2 4.27Å; F50-F262 HydrophobicContact CG-CZ 4.44Å; F50-F262 HydrophobicContact CZ-CE2 4.24Å; F50-P403 HydrophobicContact CB-CB 3.64Å; F50-P403 HydrophobicContact CD1-CB 3.42Å; F50-P403 VanDerWaalsContact CD1-CB 3.42Å; F50-P403 WeakPolarHBondContact CD1-O 3.46Å; F50-P403 HydrophobicContact CD2-CB 4.43Å; F50-P403 HydrophobicContact CE1-CB 4.07Å; F50-P403 HydrophobicContact CG-CB 3.6Å; F50-A404 HydrophobicContact CE1-CB 4.5Å; F50-F435 HydrophobicContact CE1-CE1 4.26Å; F50-F435 HydrophobicContact CE1-CZ 4.05Å; F50-F435 HydrophobicContact CZ-CZ 4.24Å
51	R	81.6	Confident	88.9	Confident	185 Å²	185	66.7 Å²	66.7	70%	0.698	33%	0.326	S	S	*	.			trans	-125.9	134.7	167.4	-58	-63.9	176.6	-80.3	-15	107.5	Q48 D49	Q48-R51 PolarHBondContact O-NH1 2.81Å; Q48-R51 PolarHBondContact O-NH2 2.75Å; D49-R51 PolarHBondContact O-N 3.19Å
52	L	80	Confident	89.7	Confident	60 Å²	60	67.1 Å²	67.1	31%	0.314	32%	0.316	S	S	.	.			trans	-113	116.5	171.3	-87.8	166.5	0	0	0	108.6	F50 I54 F435	F50-L52 HydrophobicContact CE1-CD1 3.99Å; F50-L52 HydrophobicContact CE1-CG 4.47Å; F50-L52 HydrophobicContact CE2-CD1 3.92Å; F50-L52 HydrophobicContact CE2-CG 4.09Å; F50-L52 HydrophobicContact CZ-CD1 3.32Å; F50-L52 HydrophobicContact CZ-CG 3.88Å; L52-I54 PolarHBondContact O-N 3.06Å; L52-F435 HydrophobicContact CD1-CD2 4.47Å; L52-F435 HydrophobicContact CD1-CE1 4.19Å; L52-F435 HydrophobicContact CD1-CE2 3.44Å; L52-F435 VanDerWaalsContact CD1-CE2 3.44Å; L52-F435 HydrophobicContact CD1-CZ 3.33Å
53	E	85.1	Confident	90.2	Very high	185 Å²	185	66.5 Å²	66.5	86%	0.864	31%	0.313	S	S	*	.			trans	-73.8	119.4	166.8	-66.3	177.3	178.2	0	0	107.9	P55	E53-P55 WeakPolarHBondContact O-CD 3.34Å
54	I	90.1	Very high	90.7	Very high	69 Å²	69	66.5 Å²	66.5	35%	0.354	32%	0.315	S	S	.	.			trans	-93.4	110.8	179	-51.9	173.3	0	0	0	107	L52 H226 L254 F435	L52-I54 PolarHBondContact O-N 3.06Å; I54-H226 HydrophobicContact CG2-CB 3.78Å; I54-H226 VanDerWaalsContact CG2-CD2 3.44Å; I54-H226 WeakPolarHBondContact CG2-CD2 3.36Å; I54-L254 HydrophobicContact CG2-CD1 4.5Å; I54-F435 HydrophobicContact CD1-CB 3.58Å; I54-F435 HydrophobicContact CD1-CG 4.29Å
55	P	94.4	Very high	91.2	Very high	61 Å²	61	62.5 Å²	62.5	40%	0.396	30%	0.296	S	S	.	.			trans	-68.6	155.2	177.6	30.5	-36	0	0	0	110.4	E53 Y57 F58 H226	E53-P55 WeakPolarHBondContact O-CD 3.34Å; P55-Y57 WeakPolarHBondContact CB-O 3.31Å; P55-Y57 VanDerWaalsContact CG-O 3.31Å; P55-Y57 WeakPolarHBondContact CG-O 3.37Å; P55-Y57 PolarHBondContact O-N 2.78Å; P55-F58 HydrophobicContact CG-CB 4.17Å; P55-H226 WeakPolarHBondContact O-CB 3.46Å; P55-H226 PolarHBondContact O-ND1 2.98Å
56	E	96.2	Very high	91.9	Very high	112 Å²	112	62.9 Å²	62.9	52%	0.523	30%	0.297	S	S	.	.	S	Bend	trans	-55	-43.5	177.8	-171.9	-166.8	172.6	0	0	111.4	K225 H226	E56-K225 WeakPolarHBondContact O-CA 3.35Å; E56-K225 IonicContact OE1-NZ 3.19Å; E56-H226 PolarHBondContact O-N 3.35Å; E56-H226 PolarHBondContact O-ND1 2.83Å
57	Y	97.9	Very high	92.4	Very high	76 Å²	76	67 Å²	67	30%	0.298	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-112.5	135.6	177.4	-60.1	-84.7	0	0	0	110.2	P55 K223 T224 K225	P55-Y57 WeakPolarHBondContact CB-O 3.31Å; P55-Y57 VanDerWaalsContact CG-O 3.31Å; P55-Y57 WeakPolarHBondContact CG-O 3.37Å; P55-Y57 PolarHBondContact O-N 2.78Å; Y57-K223 HydrophobicContact CD1-CD 3.99Å; Y57-K223 HydrophobicContact CD1-CG 3.67Å; Y57-K223 VanDerWaalsContact CD2-CE 3.41Å; Y57-K223 HydrophobicContact CE1-CD 3.97Å; Y57-K223 HydrophobicContact CE1-CG 4.07Å; Y57-K223 VanDerWaalsContact CE2-CE 3.5Å; Y57-K223 HydrophobicContact CG-CD 4.25Å; Y57-K223 VanDerWaalsContact CG-CE 3.5Å; Y57-K223 HydrophobicContact CG-CG 4.03Å; Y57-T224 WeakPolarHBondContact CA-O 3.33Å; Y57-K225 HydrophobicContact CD1-CG 3.94Å; Y57-K225 HydrophobicContact CE1-CG 3.78Å
58	F	97.7	Very high	93	Very high	11 Å²	11	65.3 Å²	65.3	5%	0.048	31%	0.308	C	S	.	.			trans	-149.5	132.5	173.9	-179.5	-105.8	0	0	0	110.2	P55 F60 D63 V64 T224 H226 H249 L254	P55-F58 HydrophobicContact CG-CB 4.17Å; F58-F60 HydrophobicContact CE1-CB 4.08Å; F58-F60 HydrophobicContact CE1-CD2 4.41Å; F58-F60 HydrophobicContact CZ-CB 4.2Å; F58-F60 HydrophobicContact CZ-CD2 4.1Å; F58-D63 WeakPolarHBondContact CA-OD2 3.38Å; F58-D63 HydrophobicContact CD2-CB 4.01Å; F58-D63 HydrophobicContact CE2-CB 3.87Å; F58-V64 HydrophobicContact CE2-CG2 4.11Å; F58-V64 HydrophobicContact CZ-CG2 3.91Å; F58-T224 PolarHBondContact N-O 3.26Å; F58-T224 PolarHBondContact O-OG1 2.62Å; F58-H226 HydrophobicContact CB-CB 4.16Å; F58-H249 HydrophobicContact CD1-CB 4.18Å; F58-H249 WeakPolarHBondContact CD1-O 3.31Å; F58-H249 WeakPolarHBondContact CE1-O 3.38Å; F58-H249 WeakPolarHBondContact O-CB 3.35Å; F58-L254 HydrophobicContact CD1-CD1 4.25Å; F58-L254 HydrophobicContact CD1-CG 3.9Å; F58-L254 HydrophobicContact CD2-CD1 4.16Å; F58-L254 HydrophobicContact CD2-CD2 4.02Å; F58-L254 HydrophobicContact CD2-CG 4.09Å; F58-L254 HydrophobicContact CE1-CD2 4.1Å; F58-L254 HydrophobicContact CE1-CG 3.73Å; F58-L254 HydrophobicContact CE2-CD1 4.45Å; F58-L254 HydrophobicContact CE2-CD2 3.49Å; F58-L254 VanDerWaalsContact CE2-CD2 3.49Å; F58-L254 HydrophobicContact CE2-CG 3.91Å; F58-L254 HydrophobicContact CG-CD1 4.05Å; F58-L254 HydrophobicContact CG-CG 4.08Å; F58-L254 HydrophobicContact CZ-CD2 3.54Å; F58-L254 HydrophobicContact CZ-CG 3.72Å
59	N	98.3	Very high	93.5	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	28%	0.282	C	S	.	.			trans	-137.6	116	170.8	-166.6	-69.5	0	0	0	110.2	A61 K62 D63 L141 C221 T224	N59-A61 PolarHBondContact O-N 3.13Å; N59-A61 VanDerWaalsContact O-N 3.16Å; N59-A61 WeakPolarHBondContact OD1-CB 3.38Å; N59-A61 PolarHBondContact OD1-N 3.25Å; N59-K62 HydrophobicContact CB-CB 4.29Å; N59-K62 PolarHBondContact O-N 3.26Å; N59-K62 VanDerWaalsContact O-N 3.11Å; N59-D63 PolarHBondContact N-OD2 2.82Å; N59-D63 WeakPolarHBondContact O-CB 3.29Å; N59-D63 PolarHBondContact O-N 3.06Å; N59-L141 PolarHBondContact ND2-O 3Å; N59-L141 PolarHBondContact OD1-O 3.03Å; N59-C221 VanDerWaalsContact CG-SG 3.56Å; N59-C221 PolarHBondContact OD1-SG 3.08Å; N59-C221 VanDerWaalsContact OD1-SG 3.41Å; N59-T224 WeakPolarHBondContact CB-OG1 3.5Å; N59-T224 PolarHBondContact ND2-OG1 2.88Å
60	F	98.4	Very high	94.2	Very high	1 Å²	1	58 Å²	58	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-31.3	-175.5	-170.3	-88.1	0	0	0	113.7	F58 V64 L65 L141 G253 F289 W292 I293	F58-F60 HydrophobicContact CE1-CB 4.08Å; F58-F60 HydrophobicContact CE1-CD2 4.41Å; F58-F60 HydrophobicContact CZ-CB 4.2Å; F58-F60 HydrophobicContact CZ-CD2 4.1Å; F60-V64 HydrophobicContact CD2-CB 4.11Å; F60-V64 HydrophobicContact CD2-CG1 4.49Å; F60-V64 HydrophobicContact CD2-CG2 3.79Å; F60-V64 HydrophobicContact CE1-CB 4.49Å; F60-V64 HydrophobicContact CE1-CG1 4.38Å; F60-V64 HydrophobicContact CE2-CB 4.11Å; F60-V64 HydrophobicContact CE2-CG1 3.98Å; F60-V64 HydrophobicContact CE2-CG2 3.98Å; F60-V64 HydrophobicContact CG-CB 4.32Å; F60-V64 HydrophobicContact CG-CG2 4.34Å; F60-V64 HydrophobicContact CZ-CB 4.3Å; F60-V64 HydrophobicContact CZ-CG1 3.91Å; F60-V64 WeakPolarHBondContact O-CB 3.37Å; F60-V64 PolarHBondContact O-N 2.87Å; F60-L65 HydrophobicContact CD1-CD1 4.3Å; F60-L65 HydrophobicContact CD1-CG 4.09Å; F60-L65 HydrophobicContact CE1-CD1 4.34Å; F60-L65 HydrophobicContact CE1-CD2 3.92Å; F60-L65 HydrophobicContact CE1-CG 3.95Å; F60-L65 PolarHBondContact O-N 3.25Å; F60-L65 VanDerWaalsContact O-N 3.1Å; F60-L141 HydrophobicContact CB-CD1 4.19Å; F60-L141 HydrophobicContact CB-CD2 4.44Å; F60-L141 HydrophobicContact CD1-CD1 4.29Å; F60-G253 WeakPolarHBondContact CD2-O 3.22Å; F60-F289 HydrophobicContact CB-CE1 4.24Å; F60-F289 AromaticContact CD1-CD1 3.86Å; F60-F289 HydrophobicContact CD1-CD1 3.86Å; F60-F289 AromaticContact CD1-CE1 3.96Å; F60-F289 HydrophobicContact CD1-CE1 3.96Å; F60-F289 AromaticContact CD2-CD1 3.7Å; F60-F289 HydrophobicContact CD2-CD1 3.7Å; F60-F289 HydrophobicContact CD2-CE1 4.26Å; F60-F289 AromaticContact CE1-CD1 3.9Å; F60-F289 HydrophobicContact CE1-CD1 3.9Å; F60-F289 HydrophobicContact CE1-CE1 4.38Å; F60-F289 HydrophobicContact CE2-CB 4.31Å; F60-F289 AromaticContact CE2-CD1 3.72Å; F60-F289 HydrophobicContact CE2-CD1 3.72Å; F60-F289 AromaticContact CG-CD1 3.77Å; F60-F289 HydrophobicContact CG-CD1 3.77Å; F60-F289 AromaticContact CG-CE1 3.9Å; F60-F289 HydrophobicContact CG-CE1 3.9Å; F60-F289 HydrophobicContact CZ-CB 4.34Å; F60-F289 AromaticContact CZ-CD1 3.83Å; F60-F289 HydrophobicContact CZ-CD1 3.83Å; F60-W292 HydrophobicContact CE1-CB 4.14Å; F60-W292 HydrophobicContact CE1-CE3 4.35Å; F60-W292 HydrophobicContact CZ-CB 4.08Å; F60-I293 HydrophobicContact CE2-CB 3.96Å; F60-I293 HydrophobicContact CE2-CD1 4.14Å; F60-I293 HydrophobicContact CE2-CG1 4.33Å; F60-I293 HydrophobicContact CZ-CB 4.22Å
61	A	98.4	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-68	-42.7	177.2	0	0	0	0	0	112	N59 L65 D66 V138 L141 R142	N59-A61 PolarHBondContact O-N 3.13Å; N59-A61 VanDerWaalsContact O-N 3.16Å; N59-A61 WeakPolarHBondContact OD1-CB 3.38Å; N59-A61 PolarHBondContact OD1-N 3.25Å; A61-L65 WeakPolarHBondContact O-CB 3.22Å; A61-L65 PolarHBondContact O-N 3.09Å; A61-D66 VanDerWaalsContact O-CG 3.27Å; A61-D66 PolarHBondContact O-N 3.25Å; A61-V138 HydrophobicContact CB-CG1 3.91Å; A61-L141 HydrophobicContact CB-CB 4.16Å; A61-R142 HydrophobicContact CB-CG 3.53Å
62	K	97.9	Very high	95	Very high	98 Å²	98	51.9 Å²	51.9	43%	0.426	25%	0.253	S	S	.	.	I	π-helix	trans	-82.7	-45.2	-178.3	-177.6	-176.8	175.2	179.6	0	113.7	N59 Q67 C221	N59-K62 HydrophobicContact CB-CB 4.29Å; N59-K62 PolarHBondContact O-N 3.26Å; N59-K62 VanDerWaalsContact O-N 3.11Å; K62-Q67 PolarHBondContact O-NE2 2.76Å; K62-C221 HydrophobicContact CB-CB 4.17Å; K62-C221 HydrophobicContact CD-CB 4.46Å
63	D	97.9	Very high	95.6	Very high	63 Å²	63	55 Å²	55	34%	0.337	26%	0.264	S	S	.	.	I	π-helix	trans	-92.2	-8.7	-167.4	-53.9	-35	0	0	0	112.1	F58 N59 Q67	F58-D63 WeakPolarHBondContact CA-OD2 3.38Å; F58-D63 HydrophobicContact CD2-CB 4.01Å; F58-D63 HydrophobicContact CE2-CB 3.87Å; N59-D63 PolarHBondContact N-OD2 2.82Å; N59-D63 WeakPolarHBondContact O-CB 3.29Å; N59-D63 PolarHBondContact O-N 3.06Å; D63-Q67 WeakPolarHBondContact O-CG 3.44Å
64	V	97.9	Very high	96	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.085	25%	0.245	C	C	.	.	I	π-helix	trans	-124.3	-62.2	173.9	-176.5	0	0	0	0	111.6	F58 F60 Q67 W68 I293	F58-V64 HydrophobicContact CE2-CG2 4.11Å; F58-V64 HydrophobicContact CZ-CG2 3.91Å; F60-V64 HydrophobicContact CD2-CB 4.11Å; F60-V64 HydrophobicContact CD2-CG1 4.49Å; F60-V64 HydrophobicContact CD2-CG2 3.79Å; F60-V64 HydrophobicContact CE1-CB 4.49Å; F60-V64 HydrophobicContact CE1-CG1 4.38Å; F60-V64 HydrophobicContact CE2-CB 4.11Å; F60-V64 HydrophobicContact CE2-CG1 3.98Å; F60-V64 HydrophobicContact CE2-CG2 3.98Å; F60-V64 HydrophobicContact CG-CB 4.32Å; F60-V64 HydrophobicContact CG-CG2 4.34Å; F60-V64 HydrophobicContact CZ-CB 4.3Å; F60-V64 HydrophobicContact CZ-CG1 3.91Å; F60-V64 WeakPolarHBondContact O-CB 3.37Å; F60-V64 PolarHBondContact O-N 2.87Å; V64-Q67 WeakPolarHBondContact O-CB 3.41Å; V64-Q67 PolarHBondContact O-N 3.27Å; V64-W68 VanDerWaalsContact O-CD1 3.23Å; V64-W68 PolarHBondContact O-N 2.75Å; V64-W68 VanDerWaalsContact O-N 3.13Å; V64-I293 HydrophobicContact CG1-CB 4.31Å; V64-I293 HydrophobicContact CG1-CG1 4.19Å; V64-I293 HydrophobicContact CG2-CG1 4.46Å
65	L	98.1	Very high	95.9	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	26%	0.261	C	S	.	.	I	π-helix	trans	-66.7	-48.2	-172.5	-60.2	178.6	0	0	0	112.7	F60 A61 Q67 W68 T69 F97 L100 V138 W292	F60-L65 HydrophobicContact CD1-CD1 4.3Å; F60-L65 HydrophobicContact CD1-CG 4.09Å; F60-L65 HydrophobicContact CE1-CD1 4.34Å; F60-L65 HydrophobicContact CE1-CD2 3.92Å; F60-L65 HydrophobicContact CE1-CG 3.95Å; F60-L65 PolarHBondContact O-N 3.25Å; F60-L65 VanDerWaalsContact O-N 3.1Å; A61-L65 WeakPolarHBondContact O-CB 3.22Å; A61-L65 PolarHBondContact O-N 3.09Å; L65-Q67 PolarHBondContact O-N 2.69Å; L65-W68 PolarHBondContact O-N 3.41Å; L65-W68 VanDerWaalsContact O-N 3.08Å; L65-T69 PolarHBondContact O-N 3.4Å; L65-T69 PolarHBondContact O-OG1 2.99Å; L65-F97 HydrophobicContact CD2-CD1 4.14Å; L65-F97 HydrophobicContact CD2-CE1 3.85Å; L65-L100 HydrophobicContact CD2-CD2 4.5Å; L65-V138 HydrophobicContact CD1-CB 4.27Å; L65-V138 HydrophobicContact CD1-CG1 3.58Å; L65-V138 HydrophobicContact CD1-CG2 3.59Å; L65-W292 HydrophobicContact CD1-CE3 4.21Å; L65-W292 HydrophobicContact CD1-CZ3 4.39Å; L65-W292 HydrophobicContact CD2-CB 3.62Å; L65-W292 HydrophobicContact CD2-CD2 3.94Å; L65-W292 HydrophobicContact CD2-CE3 3.92Å; L65-W292 HydrophobicContact CD2-CG 3.86Å
66	D	97.6	Very high	95.6	Very high	29 Å²	29	52.7 Å²	52.7	16%	0.155	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-21.3	178.1	-64.2	-30	0	0	0	112.1	A61 T69 N70 R105 R142	A61-D66 VanDerWaalsContact O-CG 3.27Å; A61-D66 PolarHBondContact O-N 3.25Å; D66-T69 WeakPolarHBondContact O-CB 3.23Å; D66-N70 PolarHBondContact O-N 2.74Å; D66-N70 PolarHBondContact O-ND2 2.84Å; D66-N70 VanDerWaalsContact O-ND2 3.17Å; D66-R105 IonicContact OD1-NH1 2.76Å; D66-R142 IonicContact OD1-CZ 3.54Å; D66-R142 IonicContact OD1-NH1 3.51Å; D66-R142 PolarHBondContact OD1-NH1 2.92Å; D66-R142 IonicContact OD1-NH2 3.73Å; D66-R142 PolarHBondContact OD1-NH2 3.43Å; D66-R142 IonicContact OD2-CZ 2.72Å; D66-R142 IonicContact OD2-NH1 2.8Å; D66-R142 PolarHBondContact OD2-NH1 3.1Å; D66-R142 IonicContact OD2-NH2 3.99Å
67	Q	96.8	Very high	95	Very high	94 Å²	94	48.6 Å²	48.6	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-72	-39.5	170.1	-57.8	-53	-37.4	0	0	112.4	K62 D63 V64 L65 T69 N70 M71	K62-Q67 PolarHBondContact O-NE2 2.76Å; D63-Q67 WeakPolarHBondContact O-CG 3.44Å; V64-Q67 WeakPolarHBondContact O-CB 3.41Å; V64-Q67 PolarHBondContact O-N 3.27Å; L65-Q67 PolarHBondContact O-N 2.69Å; Q67-T69 VanDerWaalsContact C-N 3.33Å; Q67-N70 WeakPolarHBondContact O-CB 3.48Å; Q67-N70 PolarHBondContact O-N 3.42Å; Q67-M71 WeakPolarHBondContact O-CG 3.16Å; Q67-M71 PolarHBondContact O-N 3.16Å
68	W	96.8	Very high	94	Very high	35 Å²	35	47.9 Å²	47.9	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-38.4	171.8	-73.2	117.2	0	0	0	112.1	V64 L65 N70 M71 E72 F97 P268 W292 G295	V64-W68 VanDerWaalsContact O-CD1 3.23Å; V64-W68 PolarHBondContact O-N 2.75Å; V64-W68 VanDerWaalsContact O-N 3.13Å; L65-W68 PolarHBondContact O-N 3.41Å; L65-W68 VanDerWaalsContact O-N 3.08Å; W68-N70 VanDerWaalsContact C-N 3.33Å; W68-N70 PolarHBondContact O-N 2.81Å; W68-M71 HydrophobicContact CE3-CB 4.45Å; W68-M71 HydrophobicContact CE3-SD 3.84Å; W68-M71 HydrophobicContact CH2-SD 4.44Å; W68-M71 HydrophobicContact CZ3-CE 4.04Å; W68-M71 HydrophobicContact CZ3-SD 3.68Å; W68-M71 PolarHBondContact O-N 2.91Å; W68-E72 WeakPolarHBondContact O-CB 3.4Å; W68-E72 PolarHBondContact O-N 2.75Å; W68-F97 HydrophobicContact CB-CB 4.07Å; W68-F97 HydrophobicContact CB-CD1 3.37Å; W68-F97 HydrophobicContact CB-CD2 4.13Å; W68-F97 HydrophobicContact CB-CE1 3.78Å; W68-F97 HydrophobicContact CB-CG 3.56Å; W68-F97 HydrophobicContact CB-CZ 4.34Å; W68-F97 AromaticContact CD1-CE1 3.86Å; W68-F97 HydrophobicContact CG-CD1 4.06Å; W68-F97 AromaticContact CG-CE1 3.95Å; W68-F97 HydrophobicContact CG-CE1 3.95Å; W68-F97 HydrophobicContact CG-CG 4.5Å; W68-F97 HydrophobicContact CG-CZ 4.33Å; W68-P268 HydrophobicContact CH2-CG 3.86Å; W68-P268 HydrophobicContact CZ3-CG 4.2Å; W68-W292 VanDerWaalsContact CD1-O 3.31Å; W68-W292 PolarHBondContact NE1-O 2.98Å; W68-G295 VanDerWaalsContact CZ2-CA 3.49Å; W68-G295 VanDerWaalsContact CZ2-N 3.34Å
69	T	95.7	Very high	93.2	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-56.6	-45.5	170	-58	0	0	0	0	111.6	L65 D66 Q67 M71 E72 K73 F97 E98	L65-T69 PolarHBondContact O-N 3.4Å; L65-T69 PolarHBondContact O-OG1 2.99Å; D66-T69 WeakPolarHBondContact O-CB 3.23Å; Q67-T69 VanDerWaalsContact C-N 3.33Å; T69-M71 PolarHBondContact O-N 3.1Å; T69-E72 PolarHBondContact O-N 3.24Å; T69-K73 HydrophobicContact CG2-CD 4.32Å; T69-K73 WeakPolarHBondContact O-CG 3.42Å; T69-K73 PolarHBondContact O-N 2.62Å; T69-F97 VanDerWaalsContact OG1-C 3.25Å; T69-F97 PolarHBondContact OG1-O 3.1Å; T69-F97 VanDerWaalsContact OG1-O 3.06Å; T69-E98 HydrophobicContact CG2-CB 4.02Å
70	N	95.3	Very high	92.7	Very high	86 Å²	86	55 Å²	55	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-38.3	176.8	-66.1	-27.1	0	0	0	112.5	D66 Q67 W68 A74	D66-N70 PolarHBondContact O-N 2.74Å; D66-N70 PolarHBondContact O-ND2 2.84Å; D66-N70 VanDerWaalsContact O-ND2 3.17Å; Q67-N70 WeakPolarHBondContact O-CB 3.48Å; Q67-N70 PolarHBondContact O-N 3.42Å; W68-N70 VanDerWaalsContact C-N 3.33Å; W68-N70 PolarHBondContact O-N 2.81Å; N70-A74 VanDerWaalsContact O-CB 3.31Å; N70-A74 WeakPolarHBondContact O-CB 3.34Å; N70-A74 PolarHBondContact O-N 3.4Å; N70-A74 VanDerWaalsContact O-N 3.09Å
71	M	93.6	Very high	92.6	Very high	34 Å²	34	56.2 Å²	56.2	17%	0.167	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-37.2	175.4	-71.7	-172.2	67.7	0	0	112.9	M7 Q67 W68 T69 A74 G75 K76	M7-M71 HydrophobicContact SD-CE 4.11Å; Q67-M71 WeakPolarHBondContact O-CG 3.16Å; Q67-M71 PolarHBondContact O-N 3.16Å; W68-M71 HydrophobicContact CE3-CB 4.45Å; W68-M71 HydrophobicContact CE3-SD 3.84Å; W68-M71 HydrophobicContact CH2-SD 4.44Å; W68-M71 HydrophobicContact CZ3-CE 4.04Å; W68-M71 HydrophobicContact CZ3-SD 3.68Å; W68-M71 PolarHBondContact O-N 2.91Å; T69-M71 PolarHBondContact O-N 3.1Å; M71-A74 PolarHBondContact O-N 3.06Å; M71-G75 PolarHBondContact O-N 2.96Å; M71-K76 HydrophobicContact CE-CB 4.35Å; M71-K76 PolarHBondContact O-N 2.88Å
72	E	91.6	Very high	92.6	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-49.8	176.1	-172.9	166.9	-123.3	0	0	110.9	W68 T69 A74 G75 K77 S96 F97 E98	W68-E72 WeakPolarHBondContact O-CB 3.4Å; W68-E72 PolarHBondContact O-N 2.75Å; T69-E72 PolarHBondContact O-N 3.24Å; E72-A74 PolarHBondContact O-N 2.91Å; E72-G75 PolarHBondContact O-N 3.45Å; E72-K77 HydrophobicContact CB-CB 4.41Å; E72-K77 HydrophobicContact CB-CD 4.15Å; E72-K77 HydrophobicContact CG-CD 4.32Å; E72-S96 WeakPolarHBondContact OE1-CB 3.3Å; E72-S96 WeakPolarHBondContact OE2-CB 3.4Å; E72-F97 WeakPolarHBondContact OE2-CA 3.38Å; E72-F97 WeakPolarHBondContact OE2-CB 3.46Å; E72-F97 PolarHBondContact OE2-N 3.42Å; E72-E98 PolarHBondContact OE2-N 2.72Å
73	K	91.8	Very high	92.7	Very high	124 Å²	124	51.6 Å²	51.6	54%	0.539	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-32.3	173	-71.5	-176.9	-179.5	-141.8	0	113.7	T69 G75 E98	T69-K73 HydrophobicContact CG2-CD 4.32Å; T69-K73 WeakPolarHBondContact O-CG 3.42Å; T69-K73 PolarHBondContact O-N 2.62Å; K73-G75 VanDerWaalsContact C-N 3.26Å; K73-G75 PolarHBondContact O-N 3.34Å; K73-E98 WeakPolarHBondContact CE-OE1 3.45Å; K73-E98 WeakPolarHBondContact CE-OE2 3.28Å; K73-E98 IonicContact NZ-OE1 2.72Å; K73-E98 PolarHBondContact NZ-OE1 3.12Å; K73-E98 IonicContact NZ-OE2 3.5Å
74	A	93.4	Very high	92.7	Very high	57 Å²	57	49.7 Å²	49.7	47%	0.471	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	1.8	176.1	0	0	0	0	0	114	N70 M71 E72 K76	N70-A74 VanDerWaalsContact O-CB 3.31Å; N70-A74 WeakPolarHBondContact O-CB 3.34Å; N70-A74 PolarHBondContact O-N 3.4Å; N70-A74 VanDerWaalsContact O-N 3.09Å; M71-A74 PolarHBondContact O-N 3.06Å; E72-A74 PolarHBondContact O-N 2.91Å; A74-K76 VanDerWaalsContact C-N 3.26Å; A74-K76 HydrophobicContact CB-CD 4.08Å; A74-K76 HydrophobicContact CB-CG 4.14Å; A74-K76 PolarHBondContact O-N 3.03Å
75	G	89.1	Confident	92.7	Very high	68 Å²	68	49.7 Å²	49.7	70%	0.701	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	19.5	-177.9	0	0	0	0	0	114.5	M71 E72 K73	M71-G75 PolarHBondContact O-N 2.96Å; E72-G75 PolarHBondContact O-N 3.45Å; K73-G75 VanDerWaalsContact C-N 3.26Å; K73-G75 PolarHBondContact O-N 3.34Å
76	K	87.4	Confident	92.8	Very high	143 Å²	143	49.7 Å²	49.7	62%	0.622	28%	0.28	S	S	*	.			trans	-100.3	8.5	-173.3	-63.9	177.9	-175.7	173.7	0	113.9	M71 A74	M71-K76 HydrophobicContact CE-CB 4.35Å; M71-K76 PolarHBondContact O-N 2.88Å; A74-K76 VanDerWaalsContact C-N 3.26Å; A74-K76 HydrophobicContact CB-CD 4.08Å; A74-K76 HydrophobicContact CB-CG 4.14Å; A74-K76 PolarHBondContact O-N 3.03Å
77	K	83.2	Confident	92.7	Very high	26 Å²	26	49.9 Å²	49.9	11%	0.113	28%	0.281	C	S	.	.	S	Bend	trans	-115.2	141.9	-177.2	-167.2	-162.9	169.9	71.3	0	110.4	E72 F97 G295	E72-K77 HydrophobicContact CB-CB 4.41Å; E72-K77 HydrophobicContact CB-CD 4.15Å; E72-K77 HydrophobicContact CG-CD 4.32Å; K77-F97 HydrophobicContact CD-CD2 4.13Å; K77-F97 VanDerWaalsContact CE-CD2 3.48Å; K77-F97 VanDerWaalsContact CE-CE2 3.45Å; K77-G295 PolarHBondContact NZ-O 2.93Å
78	P	77.6	Confident	92.5	Very high	60 Å²	60	47.9 Å²	47.9	39%	0.39	29%	0.285	S	S	.	.			trans	-56.5	153.9	164.6	-24.5	35.2	0	0	0	112.4	N80 P268	P78-N80 PolarHBondContact O-N 2.89Å; P78-P268 HydrophobicContact CG-CB 4.14Å
79	S	79.6	Confident	92.3	Very high	126 Å²	126	55.5 Å²	55.5	88%	0.881	32%	0.319	S	S	*	.	S	Bend	trans	-71.1	13.3	-175.2	62.3	0	0	0	0	115.9
80	N	89.4	Confident	92.1	Very high	39 Å²	39	58.1 Å²	58.1	21%	0.209	35%	0.348	C	S	.	.			trans	-77	135	176.6	-78.3	-2.7	0	0	0	109.9	P78 S269 C297	P78-N80 PolarHBondContact O-N 2.89Å; N80-S269 PolarHBondContact ND2-O 3.21Å; N80-C297 HydrophobicContact CB-CB 4.44Å
81	P	96.5	Very high	92.2	Very high	26 Å²	26	58.9 Å²	58.9	17%	0.169	35%	0.349	C	S	.	.			trans	-64.4	160.2	175.4	28	-33.8	0	0	0	111.3	F83 W84 R94 W95 C297	P81-F83 VanDerWaalsContact C-N 3.29Å; P81-W84 HydrophobicContact CG-CB 4.35Å; P81-R94 HydrophobicContact CB-CB 4.46Å; P81-W95 CarbonylContact C-O 3.51Å; P81-W95 VanDerWaalsContact CB-O 3.26Å; P81-W95 WeakPolarHBondContact CB-O 3.42Å; P81-C297 VanDerWaalsContact O-CA 3.24Å; P81-C297 WeakPolarHBondContact O-CA 3.2Å; P81-C297 WeakPolarHBondContact O-CB 3.07Å
82	A	98.1	Very high	92.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-65.2	-37.1	167.5	0	0	0	0	0	111.8	W95 F97 L100 W292 V298	A82-W95 WeakPolarHBondContact CA-O 3.43Å; A82-W95 WeakPolarHBondContact CB-O 3.24Å; A82-W95 PolarHBondContact N-O 2.89Å; A82-F97 HydrophobicContact CB-CB 4.44Å; A82-F97 HydrophobicContact CB-CD1 3.96Å; A82-F97 HydrophobicContact CB-CD2 3.42Å; A82-F97 VanDerWaalsContact CB-CD2 3.42Å; A82-F97 HydrophobicContact CB-CE1 3.97Å; A82-F97 HydrophobicContact CB-CE2 3.37Å; A82-F97 HydrophobicContact CB-CG 3.7Å; A82-F97 HydrophobicContact CB-CZ 3.68Å; A82-L100 HydrophobicContact CB-CB 4.47Å; A82-L100 HydrophobicContact CB-CD2 3.89Å; A82-W292 PolarHBondContact O-NE1 2.82Å; A82-V298 PolarHBondContact O-N 3.13Å
83	F	98.8	Very high	92.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.4	-173.4	-178.6	-107.1	0	0	0	110.9	P81 W85 R94 W95 P131 W134 V298 A300	P81-F83 VanDerWaalsContact C-N 3.29Å; F83-W85 HydrophobicContact CD1-CB 4.45Å; F83-W85 HydrophobicContact CE1-CB 3.49Å; F83-W85 VanDerWaalsContact CE1-CB 3.49Å; F83-W85 HydrophobicContact CE1-CG 4.5Å; F83-W85 HydrophobicContact CZ-CB 3.61Å; F83-W85 HydrophobicContact CZ-CG 4.4Å; F83-R94 VanDerWaalsContact O-CA 3.3Å; F83-R94 WeakPolarHBondContact O-CA 3.27Å; F83-W95 HydrophobicContact CB-CB 4.45Å; F83-W95 HydrophobicContact CB-CE3 3.97Å; F83-W95 AromaticContact CD1-CD2 3.98Å; F83-W95 HydrophobicContact CD1-CD2 3.98Å; F83-W95 AromaticContact CD1-CE3 3.33Å; F83-W95 HydrophobicContact CD1-CE3 3.33Å; F83-W95 HydrophobicContact CD1-CH2 4.41Å; F83-W95 AromaticContact CD1-CZ3 3.58Å; F83-W95 HydrophobicContact CD1-CZ3 3.58Å; F83-W95 HydrophobicContact CE1-CE3 4.05Å; F83-W95 HydrophobicContact CE1-CH2 4.35Å; F83-W95 AromaticContact CE1-CZ3 3.83Å; F83-W95 HydrophobicContact CE1-CZ3 3.83Å; F83-W95 AromaticContact CG-CE3 3.9Å; F83-W95 HydrophobicContact CG-CE3 3.9Å; F83-W95 HydrophobicContact CG-CZ3 4.29Å; F83-W95 PolarHBondContact N-O 2.94Å; F83-W95 VanDerWaalsContact N-O 3.12Å; F83-W95 PolarHBondContact O-N 2.94Å; F83-P131 HydrophobicContact CE1-CB 3.88Å; F83-P131 HydrophobicContact CE1-CG 4.24Å; F83-P131 HydrophobicContact CZ-CB 4.44Å; F83-W134 HydrophobicContact CD2-CD2 4.25Å; F83-W134 HydrophobicContact CD2-CG 4.14Å; F83-W134 HydrophobicContact CE2-CB 4.37Å; F83-W134 AromaticContact CE2-CD1 3.99Å; F83-W134 AromaticContact CE2-CD2 3.32Å; F83-W134 HydrophobicContact CE2-CD2 3.32Å; F83-W134 AromaticContact CE2-CE2 3.57Å; F83-W134 AromaticContact CE2-CE3 3.62Å; F83-W134 HydrophobicContact CE2-CE3 3.62Å; F83-W134 AromaticContact CE2-CG 3.66Å; F83-W134 HydrophobicContact CE2-CG 3.66Å; F83-W134 HydrophobicContact CE2-CH2 4.34Å; F83-W134 HydrophobicContact CE2-CZ2 4.09Å; F83-W134 HydrophobicContact CE2-CZ3 4.11Å; F83-W134 AromaticContact CE2-NE1 3.94Å; F83-W134 AromaticContact CZ-CD2 3.68Å; F83-W134 HydrophobicContact CZ-CD2 3.68Å; F83-W134 AromaticContact CZ-CE3 3.46Å; F83-W134 HydrophobicContact CZ-CE3 3.46Å; F83-W134 VanDerWaalsContact CZ-CE3 3.46Å; F83-W134 HydrophobicContact CZ-CG 4.17Å; F83-W134 HydrophobicContact CZ-CH2 4.49Å; F83-W134 AromaticContact CZ-CZ3 3.9Å; F83-W134 HydrophobicContact CZ-CZ3 3.9Å; F83-V298 CarbonylContact C-O 3.59Å; F83-V298 WeakPolarHBondContact CA-O 3.32Å; F83-V298 HydrophobicContact CD2-CB 4.04Å; F83-V298 HydrophobicContact CD2-CG1 3.91Å; F83-V298 HydrophobicContact CE2-CG1 4.13Å; F83-A300 HydrophobicContact CE2-CB 3.87Å; F83-A300 HydrophobicContact CZ-CB 4.02Å
84	W	98.7	Very high	93	Very high	23 Å²	23	60 Å²	60	9%	0.087	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	114.6	173.6	-175.3	-4.5	0	0	0	109.3	P81 E92 V93 R94 V298 F299 A300 Y318 P319	P81-W84 HydrophobicContact CG-CB 4.35Å; W84-E92 WeakPolarHBondContact CZ2-OE2 3.28Å; W84-E92 PolarHBondContact NE1-OE2 2.84Å; W84-V93 CarbonylContact C-O 3.56Å; W84-V93 WeakPolarHBondContact CA-O 3.25Å; W84-R94 HydrophobicContact CB-CG 4.27Å; W84-R94 HydrophobicContact CD2-CG 4.3Å; W84-R94 HydrophobicContact CG-CG 3.83Å; W84-V298 PolarHBondContact N-O 3.25Å; W84-F299 HydrophobicContact CB-CD2 4.07Å; W84-F299 AromaticContact CD2-CD2 3.99Å; W84-F299 HydrophobicContact CD2-CD2 3.99Å; W84-F299 AromaticContact CD2-CE2 3.93Å; W84-F299 HydrophobicContact CD2-CE2 3.93Å; W84-F299 HydrophobicContact CE3-CD2 4.29Å; W84-F299 HydrophobicContact CE3-CE2 4.47Å; W84-F299 AromaticContact CG-CD2 3.9Å; W84-F299 HydrophobicContact CG-CD2 3.9Å; W84-F299 AromaticContact CG-CE2 3.99Å; W84-F299 HydrophobicContact CG-CE2 3.99Å; W84-F299 CarbonylContact O-C 3.56Å; W84-F299 VanDerWaalsContact O-CA 3.32Å; W84-F299 WeakPolarHBondContact O-CA 3.24Å; W84-A300 PolarHBondContact O-N 3.38Å; W84-Y318 AromaticContact CE2-CD1 3.93Å; W84-Y318 AromaticContact CH2-CD1 3.9Å; W84-Y318 HydrophobicContact CH2-CD1 3.9Å; W84-Y318 HydrophobicContact CH2-CE1 4.46Å; W84-Y318 AromaticContact CZ2-CD1 3.4Å; W84-Y318 HydrophobicContact CZ2-CD1 3.4Å; W84-Y318 VanDerWaalsContact CZ2-CD1 3.4Å; W84-Y318 AromaticContact CZ2-CE1 3.59Å; W84-Y318 HydrophobicContact CZ2-CE1 3.59Å; W84-P319 HydrophobicContact CH2-CG 3.9Å; W84-P319 HydrophobicContact CZ3-CG 3.53Å
85	W	98.8	Very high	93.2	Very high	14 Å²	14	58.6 Å²	58.6	5%	0.053	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.6	175.8	174.3	93.5	0	0	0	112.1	F83 N87 E91 E92 V93 R129 V130 P131 A300 H302	F83-W85 HydrophobicContact CD1-CB 4.45Å; F83-W85 HydrophobicContact CE1-CB 3.49Å; F83-W85 VanDerWaalsContact CE1-CB 3.49Å; F83-W85 HydrophobicContact CE1-CG 4.5Å; F83-W85 HydrophobicContact CZ-CB 3.61Å; F83-W85 HydrophobicContact CZ-CG 4.4Å; W85-N87 HydrophobicContact CH2-CB 3.52Å; W85-N87 HydrophobicContact CZ2-CB 3.96Å; W85-N87 HydrophobicContact CZ3-CB 4.01Å; W85-E91 HydrophobicContact CZ3-CG 4.2Å; W85-E92 CarbonylContact O-C 3.49Å; W85-E92 VanDerWaalsContact O-CA 3.26Å; W85-E92 WeakPolarHBondContact O-CA 3.08Å; W85-V93 HydrophobicContact CB-CB 4.42Å; W85-V93 HydrophobicContact CE3-CB 4.09Å; W85-V93 HydrophobicContact CE3-CG2 3.88Å; W85-V93 HydrophobicContact CZ3-CG2 4.17Å; W85-V93 PolarHBondContact N-O 3.26Å; W85-V93 PolarHBondContact O-N 3.14Å; W85-R129 PolarHBondContact NE1-O 3.01Å; W85-V130 HydrophobicContact CZ2-CG1 4.47Å; W85-P131 HydrophobicContact CB-CG 4.16Å; W85-P131 HydrophobicContact CD2-CG 3.85Å; W85-P131 HydrophobicContact CE3-CG 4.07Å; W85-P131 HydrophobicContact CG-CG 3.91Å; W85-A300 CarbonylContact C-O 3.6Å; W85-A300 VanDerWaalsContact CA-O 3.23Å; W85-A300 WeakPolarHBondContact CA-O 3.48Å; W85-A300 HydrophobicContact CB-CB 4.31Å; W85-A300 HydrophobicContact CG-CB 4.49Å; W85-H302 HydrophobicContact CZ2-CB 3.87Å
86	I	98.4	Very high	93.7	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.4	171.4	70.4	166.7	0	0	0	112.2	E91 E92 F299 A300 H301 H302 T314 Y318	I86-E91 WeakPolarHBondContact CA-O 3.5Å; I86-E92 HydrophobicContact CG2-CB 4.27Å; I86-E92 HydrophobicContact CG2-CG 3.79Å; I86-F299 HydrophobicContact CD1-CE1 4.35Å; I86-F299 HydrophobicContact CD1-CZ 3.84Å; I86-F299 HydrophobicContact CG1-CE1 4.34Å; I86-F299 HydrophobicContact CG1-CZ 3.94Å; I86-F299 HydrophobicContact CG2-CE2 4.24Å; I86-F299 HydrophobicContact CG2-CZ 4.03Å; I86-A300 PolarHBondContact N-O 2.98Å; I86-H301 HydrophobicContact CD1-CB 4.41Å; I86-H301 HydrophobicContact CG1-CB 3.94Å; I86-H301 WeakPolarHBondContact O-CA 3.47Å; I86-H301 PolarHBondContact O-ND1 2.96Å; I86-H302 PolarHBondContact O-N 2.94Å; I86-T314 HydrophobicContact CD1-CG2 4.18Å; I86-Y318 HydrophobicContact CD1-CD2 4.13Å; I86-Y318 HydrophobicContact CD1-CE2 3.5Å; I86-Y318 VanDerWaalsContact CD1-CE2 3.5Å; I86-Y318 HydrophobicContact CG2-CE1 3.94Å
87	N	96.2	Very high	94.1	Very high	33 Å²	33	49.9 Å²	49.9	18%	0.176	28%	0.281	C	S	.	.			trans	-85.6	-16.1	173.9	80.6	-7.9	0	0	0	113.8	W85 K89 G90 E91	W85-N87 HydrophobicContact CH2-CB 3.52Å; W85-N87 HydrophobicContact CZ2-CB 3.96Å; W85-N87 HydrophobicContact CZ3-CB 4.01Å; N87-K89 VanDerWaalsContact C-N 3.34Å; N87-K89 VanDerWaalsContact OD1-CA 3.32Å; N87-K89 WeakPolarHBondContact OD1-CA 3.41Å; N87-K89 PolarHBondContact OD1-N 2.94Å; N87-G90 PolarHBondContact OD1-N 3Å; N87-E91 HydrophobicContact CB-CB 4.15Å; N87-E91 PolarHBondContact N-O 3.44Å; N87-E91 VanDerWaalsContact N-O 3.08Å; N87-E91 WeakPolarHBondContact ND2-CB 3.43Å; N87-E91 PolarHBondContact ND2-OE2 3.3Å; N87-E91 PolarHBondContact OD1-N 3.43Å; N87-E91 VanDerWaalsContact OD1-N 3.1Å
88	G	91.9	Very high	94.8	Very high	51 Å²	51	52.5 Å²	52.5	53%	0.526	29%	0.293	S	S	.	.	S	Bend	trans	86	-4	-175.8	0	0	0	0	0	115.4
89	K	92.9	Very high	95.7	Very high	195 Å²	195	54.1 Å²	54.1	85%	0.848	30%	0.296	S	S	*	.	S	Bend	trans	-112.8	9.7	177.9	-57.1	-177.2	179.8	179.9	0	113.2	N87	N87-K89 VanDerWaalsContact C-N 3.34Å; N87-K89 VanDerWaalsContact OD1-CA 3.32Å; N87-K89 WeakPolarHBondContact OD1-CA 3.41Å; N87-K89 PolarHBondContact OD1-N 2.94Å
90	G	92.3	Very high	96.6	Very high	63 Å²	63	48.1 Å²	48.1	65%	0.649	25%	0.254	S	S	*	.	S	Bend	trans	109.5	-10	175.9	0	0	0	0	0	115.6	N87	N87-G90 PolarHBondContact OD1-N 3Å
91	E	96.6	Very high	97	Very high	103 Å²	103	46.3 Å²	46.3	48%	0.481	24%	0.244	S	C	.	.			trans	-81.3	135.3	173.3	-165.3	-169.1	174.1	0	0	110	W85 I86 N87	W85-E91 HydrophobicContact CZ3-CG 4.2Å; I86-E91 WeakPolarHBondContact CA-O 3.5Å; N87-E91 HydrophobicContact CB-CB 4.15Å; N87-E91 PolarHBondContact N-O 3.44Å; N87-E91 VanDerWaalsContact N-O 3.08Å; N87-E91 WeakPolarHBondContact ND2-CB 3.43Å; N87-E91 PolarHBondContact ND2-OE2 3.3Å; N87-E91 PolarHBondContact OD1-N 3.43Å; N87-E91 VanDerWaalsContact OD1-N 3.1Å
92	E	98	Very high	97.1	Very high	63 Å²	63	46.5 Å²	46.5	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.9	175.6	-49.1	-163.7	174.8	0	0	110.1	W84 W85 I86 R94 Y318	W84-E92 WeakPolarHBondContact CZ2-OE2 3.28Å; W84-E92 PolarHBondContact NE1-OE2 2.84Å; W85-E92 CarbonylContact O-C 3.49Å; W85-E92 VanDerWaalsContact O-CA 3.26Å; W85-E92 WeakPolarHBondContact O-CA 3.08Å; I86-E92 HydrophobicContact CG2-CB 4.27Å; I86-E92 HydrophobicContact CG2-CG 3.79Å; E92-R94 IonicContact OE2-CZ 2.76Å; E92-R94 IonicContact OE2-NE 3.54Å; E92-R94 IonicContact OE2-NH2 3.64Å; E92-R94 PolarHBondContact OE2-NH2 2.85Å; E92-Y318 WeakPolarHBondContact OE1-CE1 3.19Å; E92-Y318 VanDerWaalsContact OE1-CZ 3.31Å; E92-Y318 PolarHBondContact OE1-OH 3.44Å
93	V	98.3	Very high	97.1	Very high	34 Å²	34	48.6 Å²	48.6	21%	0.206	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.3	170.9	172.7	0	0	0	0	107.4	W84 W85 W95 P131	W84-V93 CarbonylContact C-O 3.56Å; W84-V93 WeakPolarHBondContact CA-O 3.25Å; W85-V93 HydrophobicContact CB-CB 4.42Å; W85-V93 HydrophobicContact CE3-CB 4.09Å; W85-V93 HydrophobicContact CE3-CG2 3.88Å; W85-V93 HydrophobicContact CZ3-CG2 4.17Å; W85-V93 PolarHBondContact N-O 3.26Å; W85-V93 PolarHBondContact O-N 3.14Å; V93-W95 HydrophobicContact CG1-CD2 4.24Å; V93-W95 HydrophobicContact CG1-CZ2 3.77Å; V93-P131 HydrophobicContact CB-CG 4.23Å; V93-P131 HydrophobicContact CG1-CB 4.47Å; V93-P131 HydrophobicContact CG1-CG 4.29Å; V93-P131 HydrophobicContact CG2-CG 4.23Å
94	R	98.2	Very high	97.1	Very high	133 Å²	133	48.6 Å²	48.6	50%	0.502	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.2	175.1	-58.9	-174.9	-164.5	166.4	9.6	109.2	P81 F83 W84 E92	P81-R94 HydrophobicContact CB-CB 4.46Å; F83-R94 VanDerWaalsContact O-CA 3.3Å; F83-R94 WeakPolarHBondContact O-CA 3.27Å; W84-R94 HydrophobicContact CB-CG 4.27Å; W84-R94 HydrophobicContact CD2-CG 4.3Å; W84-R94 HydrophobicContact CG-CG 3.83Å; E92-R94 IonicContact OE2-CZ 2.76Å; E92-R94 IonicContact OE2-NE 3.54Å; E92-R94 IonicContact OE2-NH2 3.64Å; E92-R94 PolarHBondContact OE2-NH2 2.85Å
95	W	98.3	Very high	97.1	Very high	27 Å²	27	49.9 Å²	49.9	10%	0.102	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.8	175.7	-58.2	-39.3	0	0	0	110.2	P81 A82 F83 V93 E99 L100 L103 P131 L135	P81-W95 CarbonylContact C-O 3.51Å; P81-W95 VanDerWaalsContact CB-O 3.26Å; P81-W95 WeakPolarHBondContact CB-O 3.42Å; A82-W95 WeakPolarHBondContact CA-O 3.43Å; A82-W95 WeakPolarHBondContact CB-O 3.24Å; A82-W95 PolarHBondContact N-O 2.89Å; F83-W95 HydrophobicContact CB-CB 4.45Å; F83-W95 HydrophobicContact CB-CE3 3.97Å; F83-W95 AromaticContact CD1-CD2 3.98Å; F83-W95 HydrophobicContact CD1-CD2 3.98Å; F83-W95 AromaticContact CD1-CE3 3.33Å; F83-W95 HydrophobicContact CD1-CE3 3.33Å; F83-W95 HydrophobicContact CD1-CH2 4.41Å; F83-W95 AromaticContact CD1-CZ3 3.58Å; F83-W95 HydrophobicContact CD1-CZ3 3.58Å; F83-W95 HydrophobicContact CE1-CE3 4.05Å; F83-W95 HydrophobicContact CE1-CH2 4.35Å; F83-W95 AromaticContact CE1-CZ3 3.83Å; F83-W95 HydrophobicContact CE1-CZ3 3.83Å; F83-W95 AromaticContact CG-CE3 3.9Å; F83-W95 HydrophobicContact CG-CE3 3.9Å; F83-W95 HydrophobicContact CG-CZ3 4.29Å; F83-W95 PolarHBondContact N-O 2.94Å; F83-W95 VanDerWaalsContact N-O 3.12Å; F83-W95 PolarHBondContact O-N 2.94Å; V93-W95 HydrophobicContact CG1-CD2 4.24Å; V93-W95 HydrophobicContact CG1-CZ2 3.77Å; W95-E99 WeakPolarHBondContact CA-OE2 3.43Å; W95-E99 HydrophobicContact CB-CB 4.01Å; W95-E99 HydrophobicContact CG-CB 4.35Å; W95-L100 HydrophobicContact CB-CB 4.39Å; W95-L100 HydrophobicContact CE3-CD1 4.17Å; W95-L100 HydrophobicContact CZ3-CD1 4.47Å; W95-L103 HydrophobicContact CD2-CD1 3.92Å; W95-L103 HydrophobicContact CG-CD1 4.15Å; W95-L103 HydrophobicContact CZ2-CD1 3.74Å; W95-L103 VanDerWaalsContact NE1-CD1 3.32Å; W95-P131 HydrophobicContact CH2-CB 3.23Å; W95-P131 HydrophobicContact CZ2-CB 3.68Å; W95-P131 HydrophobicContact CZ3-CB 4.02Å; W95-L135 HydrophobicContact CE3-CD2 4.19Å; W95-L135 HydrophobicContact CH2-CD1 3.58Å; W95-L135 HydrophobicContact CH2-CD2 3.71Å; W95-L135 HydrophobicContact CH2-CG 3.48Å; W95-L135 VanDerWaalsContact CH2-CG 3.48Å; W95-L135 HydrophobicContact CZ2-CD1 4.08Å; W95-L135 HydrophobicContact CZ2-CD2 4.47Å; W95-L135 HydrophobicContact CZ2-CG 4.39Å; W95-L135 HydrophobicContact CZ3-CD1 4.3Å; W95-L135 HydrophobicContact CZ3-CD2 3.56Å; W95-L135 HydrophobicContact CZ3-CG 3.72Å
96	S	97.9	Very high	97.1	Very high	25 Å²	25	51.4 Å²	51.4	18%	0.175	27%	0.269	C	S	.	.			trans	-57.2	170.8	155.4	57.3	0	0	0	0	111.8	E72 E98 E99 L100	E72-S96 WeakPolarHBondContact OE1-CB 3.3Å; E72-S96 WeakPolarHBondContact OE2-CB 3.4Å; S96-E98 VanDerWaalsContact C-N 3.28Å; S96-E99 VanDerWaalsContact CB-OE2 3.31Å; S96-E99 WeakPolarHBondContact CB-OE2 3.26Å; S96-E99 PolarHBondContact N-OE2 3.13Å; S96-E99 WeakPolarHBondContact OG-CB 3.46Å; S96-E99 VanDerWaalsContact OG-CD 3.29Å; S96-E99 VanDerWaalsContact OG-CG 3.22Å; S96-E99 WeakPolarHBondContact OG-CG 3.3Å; S96-E99 PolarHBondContact OG-N 2.74Å; S96-E99 PolarHBondContact OG-OE2 2.88Å; S96-L100 VanDerWaalsContact O-CB 3.31Å; S96-L100 WeakPolarHBondContact O-CB 3.1Å; S96-L100 PolarHBondContact O-N 3.03Å
97	F	97.6	Very high	97.2	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-68.7	-32.4	170.9	-78.7	-95.4	0	0	0	110.6	L65 W68 T69 E72 K77 A82 G101 W292	L65-F97 HydrophobicContact CD2-CD1 4.14Å; L65-F97 HydrophobicContact CD2-CE1 3.85Å; W68-F97 HydrophobicContact CB-CB 4.07Å; W68-F97 HydrophobicContact CB-CD1 3.37Å; W68-F97 HydrophobicContact CB-CD2 4.13Å; W68-F97 HydrophobicContact CB-CE1 3.78Å; W68-F97 HydrophobicContact CB-CG 3.56Å; W68-F97 HydrophobicContact CB-CZ 4.34Å; W68-F97 AromaticContact CD1-CE1 3.86Å; W68-F97 HydrophobicContact CG-CD1 4.06Å; W68-F97 AromaticContact CG-CE1 3.95Å; W68-F97 HydrophobicContact CG-CE1 3.95Å; W68-F97 HydrophobicContact CG-CG 4.5Å; W68-F97 HydrophobicContact CG-CZ 4.33Å; T69-F97 VanDerWaalsContact OG1-C 3.25Å; T69-F97 PolarHBondContact OG1-O 3.1Å; T69-F97 VanDerWaalsContact OG1-O 3.06Å; E72-F97 WeakPolarHBondContact OE2-CA 3.38Å; E72-F97 WeakPolarHBondContact OE2-CB 3.46Å; E72-F97 PolarHBondContact OE2-N 3.42Å; K77-F97 HydrophobicContact CD-CD2 4.13Å; K77-F97 VanDerWaalsContact CE-CD2 3.48Å; K77-F97 VanDerWaalsContact CE-CE2 3.45Å; A82-F97 HydrophobicContact CB-CB 4.44Å; A82-F97 HydrophobicContact CB-CD1 3.96Å; A82-F97 HydrophobicContact CB-CD2 3.42Å; A82-F97 VanDerWaalsContact CB-CD2 3.42Å; A82-F97 HydrophobicContact CB-CE1 3.97Å; A82-F97 HydrophobicContact CB-CE2 3.37Å; A82-F97 HydrophobicContact CB-CG 3.7Å; A82-F97 HydrophobicContact CB-CZ 3.68Å; F97-G101 PolarHBondContact O-N 3.41Å; F97-W292 HydrophobicContact CE1-CB 4.39Å; F97-W292 HydrophobicContact CE1-CG 4.29Å; F97-W292 AromaticContact CZ-CD1 3.88Å
98	E	96.3	Very high	97.3	Very high	82 Å²	82	49.7 Å²	49.7	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-52.1	170.7	174.7	154.5	-149	0	0	113.4	T69 E72 K73 S96 G101 S102	T69-E98 HydrophobicContact CG2-CB 4.02Å; E72-E98 PolarHBondContact OE2-N 2.72Å; K73-E98 WeakPolarHBondContact CE-OE1 3.45Å; K73-E98 WeakPolarHBondContact CE-OE2 3.28Å; K73-E98 IonicContact NZ-OE1 2.72Å; K73-E98 PolarHBondContact NZ-OE1 3.12Å; K73-E98 IonicContact NZ-OE2 3.5Å; S96-E98 VanDerWaalsContact C-N 3.28Å; E98-G101 CarbonylContact O-C 3.59Å; E98-G101 WeakPolarHBondContact O-CA 3.14Å; E98-G101 PolarHBondContact O-N 2.86Å; E98-G101 VanDerWaalsContact O-N 3.09Å; E98-S102 PolarHBondContact O-N 3.25Å
99	E	97.7	Very high	97.6	Very high	93 Å²	93	47.8 Å²	47.8	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-44.1	179.7	-72.5	160.6	124.6	0	0	111.5	W95 S96 G101 S102 L103	W95-E99 WeakPolarHBondContact CA-OE2 3.43Å; W95-E99 HydrophobicContact CB-CB 4.01Å; W95-E99 HydrophobicContact CG-CB 4.35Å; S96-E99 VanDerWaalsContact CB-OE2 3.31Å; S96-E99 WeakPolarHBondContact CB-OE2 3.26Å; S96-E99 PolarHBondContact N-OE2 3.13Å; S96-E99 WeakPolarHBondContact OG-CB 3.46Å; S96-E99 VanDerWaalsContact OG-CD 3.29Å; S96-E99 VanDerWaalsContact OG-CG 3.22Å; S96-E99 WeakPolarHBondContact OG-CG 3.3Å; S96-E99 PolarHBondContact OG-N 2.74Å; S96-E99 PolarHBondContact OG-OE2 2.88Å; E99-G101 PolarHBondContact O-N 3.48Å; E99-S102 PolarHBondContact O-N 3.29Å; E99-L103 WeakPolarHBondContact O-CB 3.36Å; E99-L103 VanDerWaalsContact O-CG 3.29Å; E99-L103 WeakPolarHBondContact O-CG 3.41Å; E99-L103 PolarHBondContact O-N 2.95Å
100	L	98.4	Very high	97.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-39.3	171.6	176	62.6	0	0	0	111.1	L65 A82 W95 S96 S104 L135 V138 W292	L65-L100 HydrophobicContact CD2-CD2 4.5Å; A82-L100 HydrophobicContact CB-CB 4.47Å; A82-L100 HydrophobicContact CB-CD2 3.89Å; W95-L100 HydrophobicContact CB-CB 4.39Å; W95-L100 HydrophobicContact CE3-CD1 4.17Å; W95-L100 HydrophobicContact CZ3-CD1 4.47Å; S96-L100 VanDerWaalsContact O-CB 3.31Å; S96-L100 WeakPolarHBondContact O-CB 3.1Å; S96-L100 PolarHBondContact O-N 3.03Å; L100-S104 WeakPolarHBondContact O-CB 3.17Å; L100-S104 PolarHBondContact O-N 3.07Å; L100-S104 PolarHBondContact O-OG 3.17Å; L100-L135 HydrophobicContact CD1-CD2 3.84Å; L100-V138 HydrophobicContact CD1-CG2 4.42Å; L100-W292 HydrophobicContact CD1-CH2 4.11Å; L100-W292 HydrophobicContact CD1-CZ2 4.26Å; L100-W292 HydrophobicContact CD2-CD2 4.33Å; L100-W292 HydrophobicContact CD2-CH2 3.88Å; L100-W292 HydrophobicContact CD2-CZ2 3.55Å; L100-W292 HydrophobicContact CD2-CZ3 4.42Å
101	G	97.8	Very high	98.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-50.6	175	0	0	0	0	0	112.6	F97 E98 E99 S104 R105	F97-G101 PolarHBondContact O-N 3.41Å; E98-G101 CarbonylContact O-C 3.59Å; E98-G101 WeakPolarHBondContact O-CA 3.14Å; E98-G101 PolarHBondContact O-N 2.86Å; E98-G101 VanDerWaalsContact O-N 3.09Å; E99-G101 PolarHBondContact O-N 3.48Å; G101-S104 PolarHBondContact O-OG 3.34Å; G101-S104 VanDerWaalsContact O-OG 3.07Å; G101-R105 WeakPolarHBondContact O-CG 3.38Å; G101-R105 PolarHBondContact O-N 2.67Å; G101-R105 VanDerWaalsContact O-N 3.16Å; G101-R105 PolarHBondContact O-NH1 2.83Å
102	S	98.3	Very high	98.2	Very high	30 Å²	30	32.7 Å²	32.7	21%	0.21	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-52.8	178.4	-172.7	0	0	0	0	111.9	E98 E99 S104 R105 K106 D217	E98-S102 PolarHBondContact O-N 3.25Å; E99-S102 PolarHBondContact O-N 3.29Å; S102-S104 VanDerWaalsContact C-N 3.34Å; S102-S104 PolarHBondContact O-N 3.36Å; S102-R105 PolarHBondContact O-N 3.28Å; S102-R105 VanDerWaalsContact O-N 3.08Å; S102-K106 PolarHBondContact O-N 2.85Å; S102-D217 WeakPolarHBondContact CB-OD2 3.25Å; S102-D217 WeakPolarHBondContact OG-CB 3.2Å; S102-D217 VanDerWaalsContact OG-CG 3.22Å; S102-D217 PolarHBondContact OG-OD2 3.38Å
103	L	98.7	Very high	98.1	Very high	43 Å²	43	36.3 Å²	36.3	23%	0.225	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-40.2	-179.2	-66.8	169.3	0	0	0	112.3	W95 E99 R105 K106 F107 L135 M212	W95-L103 HydrophobicContact CD2-CD1 3.92Å; W95-L103 HydrophobicContact CG-CD1 4.15Å; W95-L103 HydrophobicContact CZ2-CD1 3.74Å; W95-L103 VanDerWaalsContact NE1-CD1 3.32Å; E99-L103 WeakPolarHBondContact O-CB 3.36Å; E99-L103 VanDerWaalsContact O-CG 3.29Å; E99-L103 WeakPolarHBondContact O-CG 3.41Å; E99-L103 PolarHBondContact O-N 2.95Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 2.97Å; L103-K106 PolarHBondContact O-N 3.35Å; L103-F107 PolarHBondContact O-N 3.46Å; L103-L135 HydrophobicContact CB-CD1 3.99Å; L103-L135 HydrophobicContact CB-CD2 3.61Å; L103-L135 HydrophobicContact CB-CG 4.47Å; L103-M212 HydrophobicContact CB-CE 4.12Å; L103-M212 HydrophobicContact CD2-CE 3.78Å; L103-M212 WeakPolarHBondContact O-CE 3.42Å
104	S	98.6	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-28.2	176.3	59.7	0	0	0	0	113.6	L100 G101 S102 A108 V138 R142	L100-S104 WeakPolarHBondContact O-CB 3.17Å; L100-S104 PolarHBondContact O-N 3.07Å; L100-S104 PolarHBondContact O-OG 3.17Å; G101-S104 PolarHBondContact O-OG 3.34Å; G101-S104 VanDerWaalsContact O-OG 3.07Å; S102-S104 VanDerWaalsContact C-N 3.34Å; S102-S104 PolarHBondContact O-N 3.36Å; S104-A108 VanDerWaalsContact O-CB 3.3Å; S104-A108 WeakPolarHBondContact O-CB 3.39Å; S104-A108 PolarHBondContact O-N 2.89Å; S104-V138 WeakPolarHBondContact OG-CG1 3.26Å; S104-R142 PolarHBondContact OG-NE 2.84Å; S104-R142 PolarHBondContact OG-NH2 2.86Å
105	R	98.8	Very high	97.9	Very high	51 Å²	51	31.5 Å²	31.5	19%	0.192	17%	0.166	C	C	.	.	H	α-helix	trans	-72.4	-39.9	171.8	-73.1	-173.8	-54.1	-97	-1.2	112	D66 G101 S102 L103 F107 A108 N109 D217 H219	D66-R105 IonicContact OD1-NH1 2.76Å; G101-R105 WeakPolarHBondContact O-CG 3.38Å; G101-R105 PolarHBondContact O-N 2.67Å; G101-R105 VanDerWaalsContact O-N 3.16Å; G101-R105 PolarHBondContact O-NH1 2.83Å; S102-R105 PolarHBondContact O-N 3.28Å; S102-R105 VanDerWaalsContact O-N 3.08Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 2.97Å; R105-F107 PolarHBondContact O-N 3.44Å; R105-A108 WeakPolarHBondContact O-CB 3.43Å; R105-A108 PolarHBondContact O-N 3.4Å; R105-N109 PolarHBondContact O-N 2.89Å; R105-D217 HydrophobicContact CB-CB 4.46Å; R105-D217 WeakPolarHBondContact CB-O 3.13Å; R105-D217 VanDerWaalsContact CD-O 3.23Å; R105-D217 WeakPolarHBondContact CD-O 3.18Å; R105-D217 IonicContact CZ-OD2 3.98Å; R105-D217 PolarHBondContact NE-O 2.81Å; R105-D217 IonicContact NH2-OD2 3.94Å; R105-D217 PolarHBondContact NH2-OD2 2.65Å; R105-H219 HydrophobicContact CB-CB 3.81Å; R105-H219 HydrophobicContact CG-CB 3.98Å
106	K	98.8	Very high	97.9	Very high	45 Å²	45	34 Å²	34	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-56.2	-47.8	171.4	-68.9	-164.6	171.5	-137.5	0	112.3	S102 L103 N109 I110 M212 K213 A215 S216 D217	S102-K106 PolarHBondContact O-N 2.85Å; L103-K106 PolarHBondContact O-N 3.35Å; K106-N109 PolarHBondContact O-N 3.06Å; K106-I110 WeakPolarHBondContact O-CG1 3.38Å; K106-I110 PolarHBondContact O-N 3.16Å; K106-I110 VanDerWaalsContact O-N 3.09Å; K106-M212 HydrophobicContact CB-CE 3.93Å; K106-M212 HydrophobicContact CB-SD 3.73Å; K106-M212 WeakPolarHBondContact CD-O 3.11Å; K106-M212 PolarHBondContact NZ-O 2.69Å; K106-K213 PolarHBondContact NZ-O 2.94Å; K106-A215 HydrophobicContact CB-CB 3.97Å; K106-A215 VanDerWaalsContact CD-O 3.29Å; K106-A215 WeakPolarHBondContact CD-O 3.29Å; K106-A215 WeakPolarHBondContact CE-O 3.38Å; K106-A215 HydrophobicContact CG-CB 4.37Å; K106-A215 WeakPolarHBondContact CG-O 3.29Å; K106-A215 PolarHBondContact NZ-O 3.3Å; K106-S216 WeakPolarHBondContact CA-O 3.23Å; K106-D217 HydrophobicContact CG-CB 3.67Å
107	F	98.8	Very high	97.9	Very high	1 Å²	1	33 Å²	33	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-36.2	177.8	-163.2	172.8	0	0	0	111.6	L103 R105 N109 I110 L111 L135 A136 A139 I172 L195 L208 M212	L103-F107 PolarHBondContact O-N 3.46Å; R105-F107 PolarHBondContact O-N 3.44Å; F107-N109 VanDerWaalsContact C-N 3.34Å; F107-N109 PolarHBondContact O-N 2.95Å; F107-I110 HydrophobicContact CD2-CB 4.35Å; F107-I110 HydrophobicContact CD2-CG2 4.42Å; F107-I110 WeakPolarHBondContact O-CB 3.33Å; F107-I110 PolarHBondContact O-N 3.08Å; F107-I110 VanDerWaalsContact O-N 3.13Å; F107-L111 HydrophobicContact CD2-CD1 4.47Å; F107-L111 HydrophobicContact CD2-CD2 4.28Å; F107-L111 HydrophobicContact CD2-CG 4Å; F107-L111 HydrophobicContact CE2-CD2 3.83Å; F107-L111 HydrophobicContact CE2-CG 4.05Å; F107-L111 WeakPolarHBondContact O-CG 3.32Å; F107-L111 PolarHBondContact O-N 3.16Å; F107-L135 HydrophobicContact CD1-CB 3.7Å; F107-L135 HydrophobicContact CE1-CB 4.3Å; F107-A136 HydrophobicContact CD1-CB 4.41Å; F107-A136 VanDerWaalsContact CE1-CA 3.43Å; F107-A136 HydrophobicContact CE1-CB 3.52Å; F107-A136 HydrophobicContact CZ-CB 3.86Å; F107-A139 HydrophobicContact CB-CB 3.82Å; F107-A139 HydrophobicContact CD1-CB 4.15Å; F107-A139 HydrophobicContact CD2-CB 4.32Å; F107-A139 HydrophobicContact CG-CB 3.83Å; F107-I172 HydrophobicContact CE2-CD1 4.06Å; F107-I172 HydrophobicContact CZ-CD1 3.78Å; F107-L195 HydrophobicContact CE2-CD1 4.03Å; F107-L208 HydrophobicContact CD1-CD1 4.38Å; F107-L208 HydrophobicContact CD1-CD2 4.23Å; F107-L208 HydrophobicContact CD2-CD1 3.58Å; F107-L208 HydrophobicContact CE1-CD1 4.22Å; F107-L208 HydrophobicContact CE1-CD2 3.51Å; F107-L208 HydrophobicContact CE1-CG 4.49Å; F107-L208 HydrophobicContact CE2-CD1 3.42Å; F107-L208 VanDerWaalsContact CE2-CD1 3.42Å; F107-L208 HydrophobicContact CE2-CD2 3.97Å; F107-L208 HydrophobicContact CE2-CG 4.36Å; F107-L208 HydrophobicContact CG-CD1 4.11Å; F107-L208 HydrophobicContact CZ-CD1 3.76Å; F107-L208 HydrophobicContact CZ-CD2 3.37Å; F107-L208 HydrophobicContact CZ-CG 4.23Å; F107-M212 HydrophobicContact CB-SD 3.74Å; F107-M212 HydrophobicContact CG-SD 4.39Å
108	A	98.8	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-44.9	173.1	0	0	0	0	0	112.1	S104 R105 I110 L111 S112 A139 R142 T143 H219	S104-A108 VanDerWaalsContact O-CB 3.3Å; S104-A108 WeakPolarHBondContact O-CB 3.39Å; S104-A108 PolarHBondContact O-N 2.89Å; R105-A108 WeakPolarHBondContact O-CB 3.43Å; R105-A108 PolarHBondContact O-N 3.4Å; A108-I110 PolarHBondContact O-N 2.82Å; A108-L111 PolarHBondContact O-N 2.98Å; A108-S112 PolarHBondContact O-N 2.77Å; A108-S112 PolarHBondContact O-OG 3.07Å; A108-S112 VanDerWaalsContact O-OG 3.13Å; A108-A139 HydrophobicContact CB-CB 4.41Å; A108-R142 HydrophobicContact CB-CB 3.82Å; A108-T143 HydrophobicContact CB-CG2 3.93Å; A108-T143 WeakPolarHBondContact O-CG2 3.45Å; A108-H219 WeakPolarHBondContact CB-CD2 3.37Å
109	N	98.6	Very high	98	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-39.6	173.5	-73.4	-20.7	0	0	0	112.6	R105 K106 F107 L111 S112 E113 S216 S218 H219	R105-N109 PolarHBondContact O-N 2.89Å; K106-N109 PolarHBondContact O-N 3.06Å; F107-N109 VanDerWaalsContact C-N 3.34Å; F107-N109 PolarHBondContact O-N 2.95Å; N109-L111 VanDerWaalsContact C-N 3.32Å; N109-L111 PolarHBondContact O-N 3.22Å; N109-S112 WeakPolarHBondContact CA-OG 3.35Å; N109-S112 PolarHBondContact O-N 3.11Å; N109-S112 PolarHBondContact O-OG 2.95Å; N109-E113 VanDerWaalsContact O-CB 3.24Å; N109-E113 WeakPolarHBondContact O-CB 3.38Å; N109-E113 WeakPolarHBondContact O-CG 3.43Å; N109-E113 PolarHBondContact O-N 2.99Å; N109-S216 PolarHBondContact ND2-O 2.91Å; N109-S218 PolarHBondContact ND2-O 3.4Å; N109-H219 WeakPolarHBondContact OD1-CB 3.43Å; N109-H219 PolarHBondContact OD1-CD2 2.91Å
110	I	98.7	Very high	98	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.036	21%	0.208	C	C	.	.	I	π-helix	trans	-59.9	-42.4	173.8	-70.8	165.2	0	0	0	111.5	K106 F107 A108 A114 C115 L195 L208 M211 M212 A215	K106-I110 WeakPolarHBondContact O-CG1 3.38Å; K106-I110 PolarHBondContact O-N 3.16Å; K106-I110 VanDerWaalsContact O-N 3.09Å; F107-I110 HydrophobicContact CD2-CB 4.35Å; F107-I110 HydrophobicContact CD2-CG2 4.42Å; F107-I110 WeakPolarHBondContact O-CB 3.33Å; F107-I110 PolarHBondContact O-N 3.08Å; F107-I110 VanDerWaalsContact O-N 3.13Å; A108-I110 PolarHBondContact O-N 2.82Å; I110-A114 WeakPolarHBondContact O-CB 3.3Å; I110-A114 PolarHBondContact O-N 3.46Å; I110-A114 VanDerWaalsContact O-N 3.13Å; I110-C115 PolarHBondContact O-N 3.46Å; I110-L195 HydrophobicContact CG2-CD1 4.12Å; I110-L208 HydrophobicContact CD1-CD1 3.97Å; I110-L208 HydrophobicContact CG2-CD1 4.24Å; I110-M211 HydrophobicContact CD1-CB 3.63Å; I110-M211 HydrophobicContact CG1-CB 4.09Å; I110-M211 HydrophobicContact CG2-CE 3.74Å; I110-M211 HydrophobicContact CG2-SD 4.38Å; I110-M212 HydrophobicContact CD1-CB 4.49Å; I110-M212 HydrophobicContact CD1-CG 3.78Å; I110-M212 HydrophobicContact CD1-SD 3.77Å; I110-A215 HydrophobicContact CD1-CB 3.97Å; I110-A215 HydrophobicContact CG1-CB 3.94Å
111	L	98.7	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-66.1	-46.1	177.8	-65.8	178.7	0	0	0	111.7	F107 A108 N109 C115 S116 L117 A139 T143 I172 L195	F107-L111 HydrophobicContact CD2-CD1 4.47Å; F107-L111 HydrophobicContact CD2-CD2 4.28Å; F107-L111 HydrophobicContact CD2-CG 4Å; F107-L111 HydrophobicContact CE2-CD2 3.83Å; F107-L111 HydrophobicContact CE2-CG 4.05Å; F107-L111 WeakPolarHBondContact O-CG 3.32Å; F107-L111 PolarHBondContact O-N 3.16Å; A108-L111 PolarHBondContact O-N 2.98Å; N109-L111 VanDerWaalsContact C-N 3.32Å; N109-L111 PolarHBondContact O-N 3.22Å; L111-C115 CarbonylContact O-C 3.5Å; L111-C115 WeakPolarHBondContact O-CB 3.34Å; L111-S116 PolarHBondContact O-N 2.92Å; L111-L117 HydrophobicContact CB-CD1 4.05Å; L111-L117 HydrophobicContact CD2-CD1 3.87Å; L111-L117 HydrophobicContact CG-CD1 4.49Å; L111-L117 VanDerWaalsContact O-CB 3.28Å; L111-L117 WeakPolarHBondContact O-CB 3.47Å; L111-L117 PolarHBondContact O-N 3.46Å; L111-A139 HydrophobicContact CD1-CB 3.71Å; L111-T143 HydrophobicContact CB-CG2 4.2Å; L111-I172 HydrophobicContact CD2-CD1 4.04Å; L111-L195 HydrophobicContact CD2-CD1 4.06Å
112	S	97.8	Very high	98.1	Very high	37 Å²	37	41.6 Å²	41.6	26%	0.259	23%	0.225	S	C	.	.	I	π-helix	trans	-78.3	-36.5	-175.9	56.4	0	0	0	0	114.5	A108 N109 S116	A108-S112 PolarHBondContact O-N 2.77Å; A108-S112 PolarHBondContact O-OG 3.07Å; A108-S112 VanDerWaalsContact O-OG 3.13Å; N109-S112 WeakPolarHBondContact CA-OG 3.35Å; N109-S112 PolarHBondContact O-N 3.11Å; N109-S112 PolarHBondContact O-OG 2.95Å; S112-S116 WeakPolarHBondContact O-CA 3.48Å
113	E	96.1	Very high	98.1	Very high	139 Å²	139	40.2 Å²	40.2	65%	0.65	22%	0.215	S	C	*	.	I	π-helix	trans	-96.1	-53.9	-174.4	-59	174.8	-169.6	0	0	111.7	N109	N109-E113 VanDerWaalsContact O-CB 3.24Å; N109-E113 WeakPolarHBondContact O-CB 3.38Å; N109-E113 WeakPolarHBondContact O-CG 3.43Å; N109-E113 PolarHBondContact O-N 2.99Å
114	A	94.7	Very high	98.1	Very high	62 Å²	62	38.3 Å²	38.3	51%	0.512	21%	0.205	S	C	.	.	I	π-helix	trans	-86.4	-23.4	-172.4	0	0	0	0	0	113.8	I110 M211	I110-A114 WeakPolarHBondContact O-CB 3.3Å; I110-A114 PolarHBondContact O-N 3.46Å; I110-A114 VanDerWaalsContact O-N 3.13Å; A114-M211 HydrophobicContact CB-CE 3.32Å
115	C	97.6	Very high	98.1	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.034	21%	0.205	C	C	.	.	S	Bend	trans	-102.9	0.6	168.6	-63.6	0	0	0	0	113.2	I110 L111 L117 S193	I110-C115 PolarHBondContact O-N 3.46Å; L111-C115 CarbonylContact O-C 3.5Å; L111-C115 WeakPolarHBondContact O-CB 3.34Å; C115-L117 HydrophobicContact CB-CD1 3.9Å; C115-L117 HydrophobicContact CB-CG 3.87Å; C115-L117 PolarHBondContact O-N 2.75Å; C115-S193 PolarHBondContact O-OG 3.41Å
116	S	97.5	Very high	98.1	Very high	78 Å²	78	36 Å²	36	55%	0.545	20%	0.196	S	C	.	.			trans	53.9	22.4	-179.5	-54.9	0	0	0	0	115.2	L111 S112 Q118	L111-S116 PolarHBondContact O-N 2.92Å; S112-S116 WeakPolarHBondContact O-CA 3.48Å; S116-Q118 PolarHBondContact O-NE2 2.95Å
117	L	98.3	Very high	98	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-73.3	135	-172.4	-64.4	165.8	0	0	0	111.9	L111 C115 D121 V123 T145 N169 C170	L111-L117 HydrophobicContact CB-CD1 4.05Å; L111-L117 HydrophobicContact CD2-CD1 3.87Å; L111-L117 HydrophobicContact CG-CD1 4.49Å; L111-L117 VanDerWaalsContact O-CB 3.28Å; L111-L117 WeakPolarHBondContact O-CB 3.47Å; L111-L117 PolarHBondContact O-N 3.46Å; C115-L117 HydrophobicContact CB-CD1 3.9Å; C115-L117 HydrophobicContact CB-CG 3.87Å; C115-L117 PolarHBondContact O-N 2.75Å; L117-D121 HydrophobicContact CB-CB 4.44Å; L117-D121 HydrophobicContact CD2-CB 3.94Å; L117-V123 HydrophobicContact CD1-CG2 3.84Å; L117-T145 HydrophobicContact CB-CG2 3.95Å; L117-N169 HydrophobicContact CD2-CB 3.5Å; L117-N169 VanDerWaalsContact CD2-CB 3.5Å; L117-C170 HydrophobicContact CD1-CB 3.82Å; L117-C170 HydrophobicContact CD2-CB 3.93Å; L117-C170 HydrophobicContact CG-CB 4.43Å
118	Q	97.7	Very high	97.9	Very high	120 Å²	120	35 Å²	35	56%	0.561	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-100.6	161	179.3	-54.4	-53.5	-56.5	0	0	111.5	S116 G120 D121 T145	S116-Q118 PolarHBondContact O-NE2 2.95Å; Q118-G120 PolarHBondContact O-N 2.9Å; Q118-D121 PolarHBondContact N-OD2 3.49Å; Q118-D121 VanDerWaalsContact O-CB 3.25Å; Q118-D121 WeakPolarHBondContact O-CB 3.38Å; Q118-D121 PolarHBondContact O-N 3.37Å; Q118-T145 WeakPolarHBondContact O-CG2 3.43Å
119	R	98	Very high	97.8	Very high	117 Å²	117	37.1 Å²	37.1	44%	0.442	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	126.9	172.2	179.7	-167.7	-170.6	150.9	-3.2	110.3	V222 K223 E228	R119-V222 HydrophobicContact CG-CG1 4.3Å; R119-K223 PolarHBondContact NH2-O 2.88Å; R119-E228 IonicContact CZ-OE1 2.7Å; R119-E228 IonicContact CZ-OE2 2.82Å; R119-E228 IonicContact NE-OE2 2.81Å; R119-E228 PolarHBondContact NE-OE2 2.88Å; R119-E228 IonicContact NH2-OE1 3.36Å; R119-E228 PolarHBondContact NH2-OE1 2.78Å; R119-E228 IonicContact NH2-OE2 3.23Å; R119-E228 PolarHBondContact NH2-OE2 3Å
120	G	97.7	Very high	97.7	Very high	40 Å²	40	37.6 Å²	37.6	41%	0.412	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-15.2	-176.3	0	0	0	0	0	115	Q118 G144	Q118-G120 PolarHBondContact O-N 2.9Å; G120-G144 PolarHBondContact N-O 2.82Å
121	D	98.6	Very high	97.7	Very high	33 Å²	33	37.8 Å²	37.8	18%	0.176	21%	0.208	C	C	.	.			trans	-61.9	145.2	174	-78	-19.7	0	0	0	111	L117 Q118 T145 V146 N169	L117-D121 HydrophobicContact CB-CB 4.44Å; L117-D121 HydrophobicContact CD2-CB 3.94Å; Q118-D121 PolarHBondContact N-OD2 3.49Å; Q118-D121 VanDerWaalsContact O-CB 3.25Å; Q118-D121 WeakPolarHBondContact O-CB 3.38Å; Q118-D121 PolarHBondContact O-N 3.37Å; D121-T145 HydrophobicContact CB-CG2 4.31Å; D121-T145 CarbonylContact O-C 3.42Å; D121-T145 WeakPolarHBondContact O-CA 3.5Å; D121-T145 VanDerWaalsContact O-CB 3.28Å; D121-T145 WeakPolarHBondContact O-CB 3.39Å; D121-V146 PolarHBondContact O-N 2.91Å; D121-N169 WeakPolarHBondContact CA-OD1 3.42Å; D121-N169 HydrophobicContact CB-CB 3.98Å; D121-N169 VanDerWaalsContact CB-CG 3.48Å; D121-N169 WeakPolarHBondContact CB-OD1 3.44Å; D121-N169 VanDerWaalsContact CG-CG 3.4Å; D121-N169 PolarHBondContact OD1-ND2 2.97Å; D121-N169 PolarHBondContact OD1-OD1 3.48Å
122	R	98.7	Very high	97.7	Very high	50 Å²	50	39.2 Å²	39.2	19%	0.189	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.6	-168.9	-67.2	170.7	-176.3	-169.6	0.1	110.5	V146 I148 S166 A168 N169 C170 D443	R122-V146 WeakPolarHBondContact CA-O 3.49Å; R122-V146 HydrophobicContact CG-CB 4.04Å; R122-V146 HydrophobicContact CG-CG1 4.42Å; R122-I148 HydrophobicContact CB-CD1 3.97Å; R122-I148 HydrophobicContact CG-CD1 4.33Å; R122-S166 WeakPolarHBondContact CD-O 3.41Å; R122-S166 PolarHBondContact NH1-O 3.26Å; R122-A168 HydrophobicContact CB-CB 4.46Å; R122-A168 CarbonylContact O-C 3.52Å; R122-A168 WeakPolarHBondContact O-CA 3.44Å; R122-N169 PolarHBondContact N-OD1 3.19Å; R122-N169 PolarHBondContact O-N 3.18Å; R122-C170 PolarHBondContact O-N 3.19Å; R122-D443 IonicContact NH1-OD2 3.92Å; R122-D443 PolarHBondContact NH1-OD2 3.47Å; R122-D443 IonicContact NH2-OD2 2.91Å
123	V	98.9	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.9	-174.2	-176.6	0	0	0	0	110.1	L117 T145 V146 I148 C170 I172	L117-V123 HydrophobicContact CD1-CG2 3.84Å; V123-T145 HydrophobicContact CG2-CG2 4.45Å; V123-V146 PolarHBondContact N-O 3.31Å; V123-I148 PolarHBondContact O-N 3.15Å; V123-C170 WeakPolarHBondContact CA-O 3.35Å; V123-C170 HydrophobicContact CG1-CB 4.32Å; V123-C170 HydrophobicContact CG2-CB 4.32Å; V123-I172 HydrophobicContact CG1-CD1 3.7Å; V123-I172 HydrophobicContact CG1-CG1 3.9Å
124	I	98.8	Very high	97.9	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.7	172	-72.1	-177.3	0	0	0	109.7	I126 I148 R162 L163 A168 C170 I171 I172	I124-I126 HydrophobicContact CG2-CD1 3.73Å; I124-I126 HydrophobicContact CG2-CG1 3.69Å; I124-I148 WeakPolarHBondContact CA-O 3.48Å; I124-I148 HydrophobicContact CG1-CB 4.06Å; I124-I148 HydrophobicContact CG1-CG2 4.24Å; I124-R162 HydrophobicContact CD1-CB 3.99Å; I124-L163 HydrophobicContact CD1-CD2 3.92Å; I124-L163 HydrophobicContact CD1-CG 4.07Å; I124-A168 HydrophobicContact CD1-CB 3.88Å; I124-A168 HydrophobicContact CG1-CB 3.77Å; I124-C170 PolarHBondContact N-O 3.01Å; I124-I171 HydrophobicContact CB-CG1 4.19Å; I124-I171 HydrophobicContact CG2-CD1 3.98Å; I124-I171 HydrophobicContact CG2-CG1 3.93Å; I124-I171 CarbonylContact O-C 3.55Å; I124-I171 WeakPolarHBondContact O-CA 3.34Å; I124-I172 PolarHBondContact O-N 2.96Å
125	L	98.8	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	106.6	-179.4	178.6	66.1	0	0	0	110.1	L127 W133 A136 L147 I148 P149 G150 I172	L125-L127 HydrophobicContact CD1-CD1 3.72Å; L125-L127 HydrophobicContact CD1-CG 3.95Å; L125-W133 HydrophobicContact CD2-CD2 4.43Å; L125-W133 HydrophobicContact CD2-CG 3.99Å; L125-A136 HydrophobicContact CD1-CB 3.78Å; L125-A136 HydrophobicContact CD2-CB 3.59Å; L125-A136 HydrophobicContact CG-CB 4.33Å; L125-L147 HydrophobicContact CB-CD1 3.86Å; L125-L147 HydrophobicContact CD2-CD1 3.84Å; L125-L147 HydrophobicContact CD2-CD2 4.23Å; L125-L147 HydrophobicContact CD2-CG 4.48Å; L125-L147 HydrophobicContact CG-CD1 4.47Å; L125-I148 PolarHBondContact N-O 2.8Å; L125-P149 WeakPolarHBondContact O-CA 3.49Å; L125-G150 PolarHBondContact O-N 3.03Å; L125-I172 HydrophobicContact CD1-CB 3.8Å; L125-I172 HydrophobicContact CD1-CG2 3.92Å
126	I	98.1	Very high	98.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.148	C	C	.	.			trans	-122.4	84	179.3	-51.9	170.6	0	0	0	108.7	I124 T151 T152 L154 I159 I171 I172 T173 L177	I124-I126 HydrophobicContact CG2-CD1 3.73Å; I124-I126 HydrophobicContact CG2-CG1 3.69Å; I126-T151 VanDerWaalsContact CG2-O 3.28Å; I126-T151 WeakPolarHBondContact CG2-O 3.39Å; I126-T152 HydrophobicContact CG2-CG2 4.33Å; I126-L154 HydrophobicContact CD1-CD1 3.89Å; I126-L154 HydrophobicContact CG1-CD1 4.32Å; I126-I159 HydrophobicContact CD1-CD1 4.37Å; I126-I159 HydrophobicContact CD1-CG1 4.01Å; I126-I159 HydrophobicContact CD1-CG2 4.36Å; I126-I171 HydrophobicContact CD1-CD1 4.35Å; I126-I172 PolarHBondContact N-O 3.13Å; I126-T173 WeakPolarHBondContact O-CA 3.44Å; I126-T173 WeakPolarHBondContact O-CB 3.39Å; I126-T173 PolarHBondContact O-OG1 3.09Å; I126-L177 HydrophobicContact CB-CD1 4.37Å; I126-L177 HydrophobicContact CG2-CD1 3.42Å; I126-L177 VanDerWaalsContact CG2-CD1 3.42Å
127	L	98.1	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.			trans	-126.6	150.6	176.5	-67.2	177.3	0	0	0	110.5	L125 V130 E132 W133 I172 T173 N174 V197 T278	L125-L127 HydrophobicContact CD1-CD1 3.72Å; L125-L127 HydrophobicContact CD1-CG 3.95Å; L127-V130 HydrophobicContact CB-CG2 4.19Å; L127-V130 HydrophobicContact CD1-CG2 4.38Å; L127-E132 HydrophobicContact CD1-CB 4.21Å; L127-W133 HydrophobicContact CB-CB 4.26Å; L127-W133 HydrophobicContact CD1-CB 4.41Å; L127-I172 HydrophobicContact CD1-CG2 4.32Å; L127-T173 VanDerWaalsContact CD2-C 3.45Å; L127-N174 HydrophobicContact CD2-CB 4.28Å; L127-V197 HydrophobicContact CD1-CB 4.48Å; L127-V197 HydrophobicContact CD1-CG2 3.71Å; L127-V197 HydrophobicContact CD2-CB 3.87Å; L127-V197 HydrophobicContact CD2-CG2 3.77Å; L127-V197 HydrophobicContact CG-CG2 4.4Å; L127-T278 PolarHBondContact O-OG1 3.28Å
128	P	95.6	Very high	98.2	Very high	27 Å²	27	24.7 Å²	24.7	18%	0.175	12%	0.123	C	C	.	.			trans	-67.4	-175.1	168.5	29.8	-33.2	0	0	0	110.2	V130 T152	P128-V130 HydrophobicContact CG-CG1 4.02Å; P128-V130 HydrophobicContact CG-CG2 4.29Å; P128-V130 PolarHBondContact O-N 3Å; P128-T152 HydrophobicContact CB-CG2 4.11Å; P128-T152 HydrophobicContact CG-CG2 4.48Å; P128-T152 VanDerWaalsContact N-CG2 3.27Å
129	R	96.6	Very high	98.3	Very high	44 Å²	44	19 Å²	19	17%	0.166	10%	0.096	C	C	.	.	S	Bend	trans	-68.6	82.2	171	-70.4	174.7	-73.4	-101.8	-2.4	110.1	W85 W134 T275 S276 T278 H301 H302 L303	W85-R129 PolarHBondContact NE1-O 3.01Å; R129-W134 HydrophobicContact CB-CH2 4.23Å; R129-W134 HydrophobicContact CG-CH2 4.29Å; R129-T275 PolarHBondContact NH1-O 3.35Å; R129-S276 PolarHBondContact NH1-O 3.26Å; R129-T278 HydrophobicContact CG-CG2 3.95Å; R129-H301 VanDerWaalsContact CD-O 3.32Å; R129-H301 WeakPolarHBondContact CD-O 3.32Å; R129-H301 PolarHBondContact NE-O 3.27Å; R129-H302 PolarHBondContact NE-O 3.05Å; R129-H302 VanDerWaalsContact NE-O 3.13Å; R129-H302 WeakPolarHBondContact O-CA 3.34Å; R129-H302 PolarHBondContact O-ND1 3.45Å; R129-L303 PolarHBondContact NH2-O 2.95Å
130	V	97.8	Very high	98.3	Very high	21 Å²	21	13.5 Å²	13.5	13%	0.127	8%	0.076	C	C	.	.			trans	-128.6	150.7	173.4	-68.3	0	0	0	0	109.7	W85 L127 P128 E132 W133 W134	W85-V130 HydrophobicContact CZ2-CG1 4.47Å; L127-V130 HydrophobicContact CB-CG2 4.19Å; L127-V130 HydrophobicContact CD1-CG2 4.38Å; P128-V130 HydrophobicContact CG-CG1 4.02Å; P128-V130 HydrophobicContact CG-CG2 4.29Å; P128-V130 PolarHBondContact O-N 3Å; V130-E132 WeakPolarHBondContact CB-OE2 3.31Å; V130-E132 PolarHBondContact O-N 2.74Å; V130-E132 VanDerWaalsContact O-N 3.1Å; V130-W133 WeakPolarHBondContact O-CB 3.44Å; V130-W133 PolarHBondContact O-N 3.37Å; V130-W134 VanDerWaalsContact O-CE3 3.24Å; V130-W134 WeakPolarHBondContact O-CZ3 3.17Å
131	P	98.5	Very high	98.4	Very high	10 Å²	10	11.9 Å²	11.9	7%	0.065	6%	0.058	C	C	.	.	H	α-helix	trans	-54.8	-33.3	-170.4	-25.8	35.4	0	0	0	114.4	F83 W85 V93 W95 W133 W134 L135	F83-P131 HydrophobicContact CE1-CB 3.88Å; F83-P131 HydrophobicContact CE1-CG 4.24Å; F83-P131 HydrophobicContact CZ-CB 4.44Å; W85-P131 HydrophobicContact CB-CG 4.16Å; W85-P131 HydrophobicContact CD2-CG 3.85Å; W85-P131 HydrophobicContact CE3-CG 4.07Å; W85-P131 HydrophobicContact CG-CG 3.91Å; V93-P131 HydrophobicContact CB-CG 4.23Å; V93-P131 HydrophobicContact CG1-CB 4.47Å; V93-P131 HydrophobicContact CG1-CG 4.29Å; V93-P131 HydrophobicContact CG2-CG 4.23Å; W95-P131 HydrophobicContact CH2-CB 3.23Å; W95-P131 HydrophobicContact CZ2-CB 3.68Å; W95-P131 HydrophobicContact CZ3-CB 4.02Å; P131-W133 PolarHBondContact O-N 2.93Å; P131-W134 WeakPolarHBondContact O-CB 3.34Å; P131-W134 PolarHBondContact O-N 2.85Å; P131-W134 VanDerWaalsContact O-N 3.08Å; P131-L135 PolarHBondContact O-N 2.85Å
132	E	98.6	Very high	98.4	Very high	30 Å²	30	10.4 Å²	10.4	14%	0.14	5%	0.05	C	C	.	.	H	α-helix	trans	-61	-27.5	179	-61.2	82.6	174.5	0	0	113.2	L127 V130 W134 L135 A136 V197 L208 K209	L127-E132 HydrophobicContact CD1-CB 4.21Å; V130-E132 WeakPolarHBondContact CB-OE2 3.31Å; V130-E132 PolarHBondContact O-N 2.74Å; V130-E132 VanDerWaalsContact O-N 3.1Å; E132-W134 VanDerWaalsContact C-N 3.31Å; E132-W134 PolarHBondContact O-N 3.28Å; E132-L135 PolarHBondContact O-N 3.32Å; E132-A136 WeakPolarHBondContact O-CB 3.33Å; E132-A136 PolarHBondContact O-N 3.27Å; E132-V197 HydrophobicContact CB-CG1 4.21Å; E132-V197 HydrophobicContact CB-CG2 4.15Å; E132-V197 HydrophobicContact CG-CG1 3.82Å; E132-V197 HydrophobicContact CG-CG2 4.35Å; E132-L208 HydrophobicContact CB-CD2 4.07Å; E132-L208 HydrophobicContact CG-CD2 4.11Å; E132-K209 WeakPolarHBondContact OE1-CE 3.32Å; E132-K209 IonicContact OE1-NZ 3.99Å
133	W	98.7	Very high	98.4	Very high	1 Å²	1	8.3 Å²	8.3	0%	0.004	4%	0.043	C	C	.	.	H	α-helix	trans	-63.6	-38.5	175	-176.5	90.6	0	0	0	111.6	L125 L127 V130 P131 N137 T278 S283 V288	L125-W133 HydrophobicContact CD2-CD2 4.43Å; L125-W133 HydrophobicContact CD2-CG 3.99Å; L127-W133 HydrophobicContact CB-CB 4.26Å; L127-W133 HydrophobicContact CD1-CB 4.41Å; V130-W133 WeakPolarHBondContact O-CB 3.44Å; V130-W133 PolarHBondContact O-N 3.37Å; P131-W133 PolarHBondContact O-N 2.93Å; W133-N137 VanDerWaalsContact CH2-ND2 3.32Å; W133-N137 WeakPolarHBondContact CH2-ND2 3.34Å; W133-N137 VanDerWaalsContact CZ2-ND2 3.29Å; W133-N137 WeakPolarHBondContact CZ2-ND2 3.1Å; W133-N137 WeakPolarHBondContact CZ3-ND2 3.29Å; W133-N137 PolarHBondContact O-N 3.47Å; W133-N137 PolarHBondContact O-ND2 2.82Å; W133-T278 HydrophobicContact CB-CG2 4.48Å; W133-T278 HydrophobicContact CD2-CG2 3.68Å; W133-T278 HydrophobicContact CE3-CG2 4.18Å; W133-T278 HydrophobicContact CG-CG2 3.77Å; W133-T278 WeakPolarHBondContact CZ2-O 3.34Å; W133-S283 VanDerWaalsContact CH2-OG 3.26Å; W133-S283 WeakPolarHBondContact CH2-OG 3.4Å; W133-S283 WeakPolarHBondContact CZ2-OG 3.33Å; W133-V288 HydrophobicContact CH2-CG2 3.69Å; W133-V288 HydrophobicContact CZ3-CG2 3.53Å
134	W	98.8	Very high	98.3	Very high	5 Å²	5	8.5 Å²	8.5	2%	0.019	5%	0.045	C	C	.	.	H	α-helix	trans	-71.6	-39.7	175.4	-77.5	-91.1	0	0	0	112	F83 R129 V130 P131 E132 A136 N137 V138 S287 W292 A300	F83-W134 HydrophobicContact CD2-CD2 4.25Å; F83-W134 HydrophobicContact CD2-CG 4.14Å; F83-W134 HydrophobicContact CE2-CB 4.37Å; F83-W134 AromaticContact CE2-CD1 3.99Å; F83-W134 AromaticContact CE2-CD2 3.32Å; F83-W134 HydrophobicContact CE2-CD2 3.32Å; F83-W134 AromaticContact CE2-CE2 3.57Å; F83-W134 AromaticContact CE2-CE3 3.62Å; F83-W134 HydrophobicContact CE2-CE3 3.62Å; F83-W134 AromaticContact CE2-CG 3.66Å; F83-W134 HydrophobicContact CE2-CG 3.66Å; F83-W134 HydrophobicContact CE2-CH2 4.34Å; F83-W134 HydrophobicContact CE2-CZ2 4.09Å; F83-W134 HydrophobicContact CE2-CZ3 4.11Å; F83-W134 AromaticContact CE2-NE1 3.94Å; F83-W134 AromaticContact CZ-CD2 3.68Å; F83-W134 HydrophobicContact CZ-CD2 3.68Å; F83-W134 AromaticContact CZ-CE3 3.46Å; F83-W134 HydrophobicContact CZ-CE3 3.46Å; F83-W134 VanDerWaalsContact CZ-CE3 3.46Å; F83-W134 HydrophobicContact CZ-CG 4.17Å; F83-W134 HydrophobicContact CZ-CH2 4.49Å; F83-W134 AromaticContact CZ-CZ3 3.9Å; F83-W134 HydrophobicContact CZ-CZ3 3.9Å; R129-W134 HydrophobicContact CB-CH2 4.23Å; R129-W134 HydrophobicContact CG-CH2 4.29Å; V130-W134 VanDerWaalsContact O-CE3 3.24Å; V130-W134 WeakPolarHBondContact O-CZ3 3.17Å; P131-W134 WeakPolarHBondContact O-CB 3.34Å; P131-W134 PolarHBondContact O-N 2.85Å; P131-W134 VanDerWaalsContact O-N 3.08Å; E132-W134 VanDerWaalsContact C-N 3.31Å; E132-W134 PolarHBondContact O-N 3.28Å; W134-A136 VanDerWaalsContact C-N 3.34Å; W134-A136 PolarHBondContact O-N 2.92Å; W134-N137 WeakPolarHBondContact O-CB 3.45Å; W134-N137 PolarHBondContact O-N 3.09Å; W134-V138 PolarHBondContact O-N 2.89Å; W134-S287 PolarHBondContact NE1-O 2.95Å; W134-W292 HydrophobicContact CB-CH2 4.1Å; W134-W292 AromaticContact CD1-CH2 3.78Å; W134-W292 HydrophobicContact CG-CH2 4.35Å; W134-A300 HydrophobicContact CH2-CB 3.41Å; W134-A300 VanDerWaalsContact CH2-CB 3.41Å; W134-A300 HydrophobicContact CZ2-CB 3.76Å; W134-A300 HydrophobicContact CZ3-CB 4Å
135	L	98.8	Very high	98.3	Very high	8 Å²	8	8.4 Å²	8.4	4%	0.042	4%	0.044	C	C	.	.	H	α-helix	trans	-62.8	-41.2	174.7	-61	178.9	0	0	0	111.6	W95 L100 L103 F107 P131 E132 N137 V138 A139 M212	W95-L135 HydrophobicContact CE3-CD2 4.19Å; W95-L135 HydrophobicContact CH2-CD1 3.58Å; W95-L135 HydrophobicContact CH2-CD2 3.71Å; W95-L135 HydrophobicContact CH2-CG 3.48Å; W95-L135 VanDerWaalsContact CH2-CG 3.48Å; W95-L135 HydrophobicContact CZ2-CD1 4.08Å; W95-L135 HydrophobicContact CZ2-CD2 4.47Å; W95-L135 HydrophobicContact CZ2-CG 4.39Å; W95-L135 HydrophobicContact CZ3-CD1 4.3Å; W95-L135 HydrophobicContact CZ3-CD2 3.56Å; W95-L135 HydrophobicContact CZ3-CG 3.72Å; L100-L135 HydrophobicContact CD1-CD2 3.84Å; L103-L135 HydrophobicContact CB-CD1 3.99Å; L103-L135 HydrophobicContact CB-CD2 3.61Å; L103-L135 HydrophobicContact CB-CG 4.47Å; F107-L135 HydrophobicContact CD1-CB 3.7Å; F107-L135 HydrophobicContact CE1-CB 4.3Å; P131-L135 PolarHBondContact O-N 2.85Å; E132-L135 PolarHBondContact O-N 3.32Å; L135-N137 VanDerWaalsContact C-N 3.33Å; L135-N137 PolarHBondContact O-N 2.79Å; L135-V138 PolarHBondContact O-N 2.95Å; L135-A139 VanDerWaalsContact O-CB 3.28Å; L135-A139 WeakPolarHBondContact O-CB 3.47Å; L135-A139 PolarHBondContact O-N 3.17Å; L135-M212 HydrophobicContact CD1-CE 4.1Å
136	A	98.8	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.6	-39.7	176.6	0	0	0	0	0	112.5	F107 L125 E132 W134 V138 A139 C140	F107-A136 HydrophobicContact CD1-CB 4.41Å; F107-A136 VanDerWaalsContact CE1-CA 3.43Å; F107-A136 HydrophobicContact CE1-CB 3.52Å; F107-A136 HydrophobicContact CZ-CB 3.86Å; L125-A136 HydrophobicContact CD1-CB 3.78Å; L125-A136 HydrophobicContact CD2-CB 3.59Å; L125-A136 HydrophobicContact CG-CB 4.33Å; E132-A136 WeakPolarHBondContact O-CB 3.33Å; E132-A136 PolarHBondContact O-N 3.27Å; W134-A136 VanDerWaalsContact C-N 3.34Å; W134-A136 PolarHBondContact O-N 2.92Å; A136-V138 PolarHBondContact O-N 2.59Å; A136-A139 PolarHBondContact O-N 3.16Å; A136-C140 PolarHBondContact O-N 2.91Å; A136-C140 PolarHBondContact O-SG 2.85Å; A136-C140 VanDerWaalsContact O-SG 3.35Å
137	N	98.6	Very high	98.4	Very high	7 Å²	7	8.9 Å²	8.9	4%	0.037	5%	0.047	C	C	.	.	H	α-helix	trans	-58.4	-47.6	174.1	-84.3	-102.9	0	0	0	111.5	W133 W134 L135 L141 L147 V288	W133-N137 VanDerWaalsContact CH2-ND2 3.32Å; W133-N137 WeakPolarHBondContact CH2-ND2 3.34Å; W133-N137 VanDerWaalsContact CZ2-ND2 3.29Å; W133-N137 WeakPolarHBondContact CZ2-ND2 3.1Å; W133-N137 WeakPolarHBondContact CZ3-ND2 3.29Å; W133-N137 PolarHBondContact O-N 3.47Å; W133-N137 PolarHBondContact O-ND2 2.82Å; W134-N137 WeakPolarHBondContact O-CB 3.45Å; W134-N137 PolarHBondContact O-N 3.09Å; L135-N137 VanDerWaalsContact C-N 3.33Å; L135-N137 PolarHBondContact O-N 2.79Å; N137-L141 WeakPolarHBondContact O-CD1 3.32Å; N137-L141 VanDerWaalsContact O-CG 3.31Å; N137-L141 WeakPolarHBondContact O-CG 3.33Å; N137-L141 PolarHBondContact O-N 3.33Å; N137-L147 HydrophobicContact CB-CD2 4.25Å; N137-L147 VanDerWaalsContact CG-CD2 3.46Å; N137-L147 VanDerWaalsContact OD1-CD2 3.28Å; N137-L147 WeakPolarHBondContact OD1-CD2 3.27Å; N137-V288 HydrophobicContact CB-CG1 4.44Å
138	V	98.8	Very high	98.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-73.3	-36.1	-179.4	-173.1	0	0	0	0	111.9	A61 L65 L100 S104 W134 L135 A136 L141 R142 W292	A61-V138 HydrophobicContact CB-CG1 3.91Å; L65-V138 HydrophobicContact CD1-CB 4.27Å; L65-V138 HydrophobicContact CD1-CG1 3.58Å; L65-V138 HydrophobicContact CD1-CG2 3.59Å; L100-V138 HydrophobicContact CD1-CG2 4.42Å; S104-V138 WeakPolarHBondContact OG-CG1 3.26Å; W134-V138 PolarHBondContact O-N 2.89Å; L135-V138 PolarHBondContact O-N 2.95Å; A136-V138 PolarHBondContact O-N 2.59Å; V138-L141 WeakPolarHBondContact O-CB 3.4Å; V138-L141 PolarHBondContact O-N 3.19Å; V138-R142 WeakPolarHBondContact O-CG 3.37Å; V138-R142 PolarHBondContact O-N 2.96Å; V138-W292 HydrophobicContact CG2-CE3 4.49Å; V138-W292 HydrophobicContact CG2-CH2 3.97Å; V138-W292 HydrophobicContact CG2-CZ3 3.54Å
139	A	98.8	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.2	-48.5	177.1	0	0	0	0	0	111.8	F107 A108 L111 L135 A136 L141 R142 T143	F107-A139 HydrophobicContact CB-CB 3.82Å; F107-A139 HydrophobicContact CD1-CB 4.15Å; F107-A139 HydrophobicContact CD2-CB 4.32Å; F107-A139 HydrophobicContact CG-CB 3.83Å; A108-A139 HydrophobicContact CB-CB 4.41Å; L111-A139 HydrophobicContact CD1-CB 3.71Å; L135-A139 VanDerWaalsContact O-CB 3.28Å; L135-A139 WeakPolarHBondContact O-CB 3.47Å; L135-A139 PolarHBondContact O-N 3.17Å; A136-A139 PolarHBondContact O-N 3.16Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.47Å; A139-R142 WeakPolarHBondContact O-CB 3.37Å; A139-R142 PolarHBondContact O-N 3.17Å; A139-T143 PolarHBondContact O-N 2.87Å; A139-T143 PolarHBondContact O-OG1 2.89Å
140	C	98.8	Very high	98.1	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.014	4%	0.035	C	C	.	.	H	α-helix	trans	-62.8	-36.8	176.9	-67.1	0	0	0	0	112.5	A136 R142 T143 G144 T145 L147	A136-C140 PolarHBondContact O-N 2.91Å; A136-C140 PolarHBondContact O-SG 2.85Å; A136-C140 VanDerWaalsContact O-SG 3.35Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 2.83Å; C140-T143 WeakPolarHBondContact CA-OG1 3.25Å; C140-T143 PolarHBondContact O-OG1 2.83Å; C140-G144 WeakPolarHBondContact O-CA 3.28Å; C140-G144 PolarHBondContact O-N 2.9Å; C140-T145 VanDerWaalsContact CA-OG1 3.25Å; C140-T145 WeakPolarHBondContact CA-OG1 3.41Å; C140-T145 VanDerWaalsContact CB-OG1 3.3Å; C140-T145 WeakPolarHBondContact CB-OG1 3.5Å; C140-T145 PolarHBondContact O-N 3.08Å; C140-T145 PolarHBondContact SG-OG1 3.01Å; C140-T145 VanDerWaalsContact SG-OG1 3.33Å; C140-L147 HydrophobicContact CB-CB 4.17Å; C140-L147 HydrophobicContact CB-CD1 4.29Å
141	L	98.6	Very high	97.5	Very high	7 Å²	7	5.7 Å²	5.7	4%	0.037	3%	0.033	C	C	.	.	H	α-helix	trans	-60.9	-42	171.2	-70.8	163.3	0	0	0	111.3	N59 F60 A61 N137 V138 A139 G144 M230 F289	N59-L141 PolarHBondContact ND2-O 3Å; N59-L141 PolarHBondContact OD1-O 3.03Å; F60-L141 HydrophobicContact CB-CD1 4.19Å; F60-L141 HydrophobicContact CB-CD2 4.44Å; F60-L141 HydrophobicContact CD1-CD1 4.29Å; A61-L141 HydrophobicContact CB-CB 4.16Å; N137-L141 WeakPolarHBondContact O-CD1 3.32Å; N137-L141 VanDerWaalsContact O-CG 3.31Å; N137-L141 WeakPolarHBondContact O-CG 3.33Å; N137-L141 PolarHBondContact O-N 3.33Å; V138-L141 WeakPolarHBondContact O-CB 3.4Å; V138-L141 PolarHBondContact O-N 3.19Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.47Å; L141-G144 PolarHBondContact O-N 3.38Å; L141-M230 HydrophobicContact CD2-CB 4.17Å; L141-M230 HydrophobicContact CD2-SD 3.94Å; L141-F289 HydrophobicContact CD1-CE1 3.85Å; L141-F289 HydrophobicContact CD1-CZ 4.14Å
142	R	98.8	Very high	96.9	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	4%	0.043	C	C	.	.	H	α-helix	trans	-67	-40.4	-179.7	-73.1	-176.7	-175.2	-68.1	2	113.4	A61 D66 S104 A108 V138 A139 C140 H219 V222	A61-R142 HydrophobicContact CB-CG 3.53Å; D66-R142 IonicContact OD1-CZ 3.54Å; D66-R142 IonicContact OD1-NH1 3.51Å; D66-R142 PolarHBondContact OD1-NH1 2.92Å; D66-R142 IonicContact OD1-NH2 3.73Å; D66-R142 PolarHBondContact OD1-NH2 3.43Å; D66-R142 IonicContact OD2-CZ 2.72Å; D66-R142 IonicContact OD2-NH1 2.8Å; D66-R142 PolarHBondContact OD2-NH1 3.1Å; D66-R142 IonicContact OD2-NH2 3.99Å; S104-R142 PolarHBondContact OG-NE 2.84Å; S104-R142 PolarHBondContact OG-NH2 2.86Å; A108-R142 HydrophobicContact CB-CB 3.82Å; V138-R142 WeakPolarHBondContact O-CG 3.37Å; V138-R142 PolarHBondContact O-N 2.96Å; A139-R142 WeakPolarHBondContact O-CB 3.37Å; A139-R142 PolarHBondContact O-N 3.17Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 2.83Å; R142-H219 PolarHBondContact O-CE1 3.25Å; R142-V222 WeakPolarHBondContact O-CG2 3.28Å; R142-V222 PolarHBondContact O-N 3.2Å
143	T	98.8	Very high	96	Very high	7 Å²	7	11 Å²	11	4%	0.043	6%	0.06	C	C	.	.	H	α-helix	trans	-81.8	-16.1	177.5	54.3	0	0	0	0	113.4	A108 L111 A139 C140 T145 V222	A108-T143 HydrophobicContact CB-CG2 3.93Å; A108-T143 WeakPolarHBondContact O-CG2 3.45Å; L111-T143 HydrophobicContact CB-CG2 4.2Å; A139-T143 PolarHBondContact O-N 2.87Å; A139-T143 PolarHBondContact O-OG1 2.89Å; C140-T143 WeakPolarHBondContact CA-OG1 3.25Å; C140-T143 PolarHBondContact O-OG1 2.83Å; T143-T145 VanDerWaalsContact C-N 3.28Å; T143-T145 PolarHBondContact OG1-N 2.95Å; T143-T145 PolarHBondContact OG1-OG1 2.8Å; T143-V222 WeakPolarHBondContact O-CG2 3.45Å
144	G	98.6	Very high	95.1	Very high	4 Å²	4	11.3 Å²	11.3	4%	0.041	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	24.5	-171.2	0	0	0	0	0	113.2	G120 C140 L141	G120-G144 PolarHBondContact N-O 2.82Å; C140-G144 WeakPolarHBondContact O-CA 3.28Å; C140-G144 PolarHBondContact O-N 2.9Å; L141-G144 PolarHBondContact O-N 3.38Å
145	T	98.8	Very high	94.2	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	8%	0.082	C	C	.	.			trans	-80.5	149.8	169.5	54.1	0	0	0	0	110.3	L117 Q118 D121 V123 C140 T143 L147	L117-T145 HydrophobicContact CB-CG2 3.95Å; Q118-T145 WeakPolarHBondContact O-CG2 3.43Å; D121-T145 HydrophobicContact CB-CG2 4.31Å; D121-T145 CarbonylContact O-C 3.42Å; D121-T145 WeakPolarHBondContact O-CA 3.5Å; D121-T145 VanDerWaalsContact O-CB 3.28Å; D121-T145 WeakPolarHBondContact O-CB 3.39Å; V123-T145 HydrophobicContact CG2-CG2 4.45Å; C140-T145 VanDerWaalsContact CA-OG1 3.25Å; C140-T145 WeakPolarHBondContact CA-OG1 3.41Å; C140-T145 VanDerWaalsContact CB-OG1 3.3Å; C140-T145 WeakPolarHBondContact CB-OG1 3.5Å; C140-T145 PolarHBondContact O-N 3.08Å; C140-T145 PolarHBondContact SG-OG1 3.01Å; C140-T145 VanDerWaalsContact SG-OG1 3.33Å; T143-T145 VanDerWaalsContact C-N 3.28Å; T143-T145 PolarHBondContact OG1-N 2.95Å; T143-T145 PolarHBondContact OG1-OG1 2.8Å; T145-L147 PolarHBondContact O-N 3.44Å
146	V	98.8	Very high	93.5	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.03	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.6	-178.4	179.3	0	0	0	0	109.6	D121 R122 V123 I148 I229 M232	D121-V146 PolarHBondContact O-N 2.91Å; R122-V146 WeakPolarHBondContact CA-O 3.49Å; R122-V146 HydrophobicContact CG-CB 4.04Å; R122-V146 HydrophobicContact CG-CG1 4.42Å; V123-V146 PolarHBondContact N-O 3.31Å; V146-I148 HydrophobicContact CG1-CG1 4.43Å; V146-I229 HydrophobicContact CG1-CG2 3.88Å; V146-I229 HydrophobicContact CG2-CB 4.25Å; V146-I229 HydrophobicContact CG2-CG2 4.15Å; V146-M232 HydrophobicContact CG1-CB 4.48Å; V146-M232 HydrophobicContact CG1-CE 4.25Å; V146-M232 HydrophobicContact CG1-CG 3.77Å; V146-M232 HydrophobicContact CG1-SD 4.25Å
147	L	98.8	Very high	92.5	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	135.7	177.7	-169.8	75.9	0	0	0	111.9	L125 N137 C140 T145 P149 M230 A231 M232	L125-L147 HydrophobicContact CB-CD1 3.86Å; L125-L147 HydrophobicContact CD2-CD1 3.84Å; L125-L147 HydrophobicContact CD2-CD2 4.23Å; L125-L147 HydrophobicContact CD2-CG 4.48Å; L125-L147 HydrophobicContact CG-CD1 4.47Å; N137-L147 HydrophobicContact CB-CD2 4.25Å; N137-L147 VanDerWaalsContact CG-CD2 3.46Å; N137-L147 VanDerWaalsContact OD1-CD2 3.28Å; N137-L147 WeakPolarHBondContact OD1-CD2 3.27Å; C140-L147 HydrophobicContact CB-CB 4.17Å; C140-L147 HydrophobicContact CB-CD1 4.29Å; T145-L147 PolarHBondContact O-N 3.44Å; L147-P149 HydrophobicContact CD2-CG 3.88Å; L147-P149 HydrophobicContact CG-CG 4.13Å; L147-M230 PolarHBondContact N-O 2.88Å; L147-M230 VanDerWaalsContact N-O 3.07Å; L147-A231 CarbonylContact O-C 3.51Å; L147-A231 WeakPolarHBondContact O-CA 3Å; L147-M232 PolarHBondContact O-N 2.8Å
148	I	98.6	Very high	91.7	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	87.5	177.2	-48.6	-170.2	0	0	0	110.2	R122 V123 I124 L125 V146 M232 F234	R122-I148 HydrophobicContact CB-CD1 3.97Å; R122-I148 HydrophobicContact CG-CD1 4.33Å; V123-I148 PolarHBondContact O-N 3.15Å; I124-I148 WeakPolarHBondContact CA-O 3.48Å; I124-I148 HydrophobicContact CG1-CB 4.06Å; I124-I148 HydrophobicContact CG1-CG2 4.24Å; L125-I148 PolarHBondContact N-O 2.8Å; V146-I148 HydrophobicContact CG1-CG1 4.43Å; I148-M232 WeakPolarHBondContact CA-O 3.21Å; I148-M232 HydrophobicContact CD1-CB 4.3Å; I148-M232 HydrophobicContact CD1-SD 4.35Å; I148-M232 HydrophobicContact CG1-CB 4.14Å; I148-F234 HydrophobicContact CG2-CD2 3.87Å; I148-F234 HydrophobicContact CG2-CE2 3.78Å
149	P	97	Very high	91.2	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.039	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	143.6	179.5	-23.6	37.3	0	0	0	113.1	L125 L147 F233	L125-P149 WeakPolarHBondContact O-CA 3.49Å; L147-P149 HydrophobicContact CD2-CG 3.88Å; L147-P149 HydrophobicContact CG-CG 4.13Å; P149-F233 HydrophobicContact CB-CD1 4.48Å; P149-F233 HydrophobicContact CB-CE1 3.98Å; P149-F233 HydrophobicContact CG-CD1 4.34Å; P149-F233 HydrophobicContact CG-CE1 3.59Å; P149-F233 HydrophobicContact CG-CZ 3.95Å
150	G	87.8	Confident	90.8	Very high	5 Å²	5	30.3 Å²	30.3	5%	0.052	16%	0.155	C	C	.	.			trans	-139.3	152.6	171.8	0	0	0	0	0	112.1	L125 G279	L125-G150 PolarHBondContact O-N 3.03Å; G150-G279 VanDerWaalsContact C-CA 3.44Å
151	T	86	Confident	90.2	Very high	12 Å²	12	33 Å²	33	7%	0.074	17%	0.165	C	C	.	.			trans	-76	147.7	178.3	175.1	0	0	0	0	110.8	I126 Q153 L154 D277 I569	I126-T151 VanDerWaalsContact CG2-O 3.28Å; I126-T151 WeakPolarHBondContact CG2-O 3.39Å; T151-Q153 HydrophobicContact CG2-CB 4.31Å; T151-Q153 PolarHBondContact O-N 3.41Å; T151-Q153 VanDerWaalsContact O-N 3.09Å; T151-Q153 PolarHBondContact OG1-N 2.81Å; T151-L154 HydrophobicContact CG2-CD2 4.01Å; T151-L154 HydrophobicContact CG2-CG 3.8Å; T151-L154 WeakPolarHBondContact O-CD1 3.48Å; T151-L154 WeakPolarHBondContact O-CG 3.05Å; T151-L154 PolarHBondContact O-N 2.71Å; T151-D277 WeakPolarHBondContact CA-OD1 3.35Å; T151-D277 WeakPolarHBondContact CB-OD1 3.38Å; T151-D277 WeakPolarHBondContact CB-OD2 3.25Å; T151-D277 VanDerWaalsContact OG1-CG 3.26Å; T151-D277 PolarHBondContact OG1-OD1 3.46Å; T151-D277 PolarHBondContact OG1-OD2 2.96Å; T151-I569 HydrophobicContact CG2-CG2 3.59Å
152	T	86.3	Confident	89.9	Confident	44 Å²	44	34 Å²	34	27%	0.27	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-6.5	177.2	53.5	0	0	0	0	114.1	I126 P128 L154	I126-T152 HydrophobicContact CG2-CG2 4.33Å; P128-T152 HydrophobicContact CB-CG2 4.11Å; P128-T152 HydrophobicContact CG-CG2 4.48Å; P128-T152 VanDerWaalsContact N-CG2 3.27Å; T152-L154 VanDerWaalsContact C-N 3.35Å
153	Q	80.5	Confident	89.8	Confident	109 Å²	109	34.1 Å²	34.1	51%	0.509	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	2.9	176.8	-65.5	179.1	78.8	0	0	113.7	T151 I569	T151-Q153 HydrophobicContact CG2-CB 4.31Å; T151-Q153 PolarHBondContact O-N 3.41Å; T151-Q153 VanDerWaalsContact O-N 3.09Å; T151-Q153 PolarHBondContact OG1-N 2.81Å; Q153-I569 HydrophobicContact CB-CG2 3.29Å; Q153-I569 HydrophobicContact CG-CG2 4.13Å; Q153-I569 PolarHBondContact NE2-O 3.43Å; Q153-I569 PolarHBondContact OE1-O 2.62Å
154	L	78.6	Confident	89.6	Confident	7 Å²	7	38.5 Å²	38.5	4%	0.037	19%	0.189	C	C	.	.			trans	-67.6	131.3	178.2	-66.3	169.6	0	0	0	111.1	I126 T151 T152 D158 I159 R162 I569	I126-L154 HydrophobicContact CD1-CD1 3.89Å; I126-L154 HydrophobicContact CG1-CD1 4.32Å; T151-L154 HydrophobicContact CG2-CD2 4.01Å; T151-L154 HydrophobicContact CG2-CG 3.8Å; T151-L154 WeakPolarHBondContact O-CD1 3.48Å; T151-L154 WeakPolarHBondContact O-CG 3.05Å; T151-L154 PolarHBondContact O-N 2.71Å; T152-L154 VanDerWaalsContact C-N 3.35Å; L154-D158 HydrophobicContact CB-CB 3.93Å; L154-D158 HydrophobicContact CD2-CB 3.8Å; L154-D158 HydrophobicContact CG-CB 4.43Å; L154-I159 HydrophobicContact CB-CD1 4.47Å; L154-I159 HydrophobicContact CB-CG1 3.85Å; L154-R162 VanDerWaalsContact CD2-CZ 3.46Å; L154-I569 HydrophobicContact CD2-CD1 4.06Å
155	T	79.6	Confident	89.2	Confident	74 Å²	74	40 Å²	40	45%	0.454	20%	0.199	S	C	.	.			trans	-76.1	167.1	175	73	0	0	0	0	111.9	K157 D158 I159	T155-K157 PolarHBondContact O-N 3.45Å; T155-K157 VanDerWaalsContact O-N 3.15Å; T155-K157 PolarHBondContact OG1-N 3.4Å; T155-D158 WeakPolarHBondContact CB-OD2 3.3Å; T155-D158 PolarHBondContact N-OD2 3.32Å; T155-D158 VanDerWaalsContact N-OD2 3.16Å; T155-D158 WeakPolarHBondContact O-CA 3.36Å; T155-D158 WeakPolarHBondContact O-CB 3.5Å; T155-D158 PolarHBondContact O-N 3.29Å; T155-D158 PolarHBondContact OG1-N 3.28Å; T155-D158 PolarHBondContact OG1-OD2 3.28Å; T155-I159 WeakPolarHBondContact O-CG1 3.43Å; T155-I159 PolarHBondContact O-N 3.19Å
156	Q	83.8	Confident	89.1	Confident	89 Å²	89	39.9 Å²	39.9	42%	0.416	20%	0.198	S	C	.	.	H	α-helix	trans	-50.4	-39.3	172.3	-176.5	179.9	-11.3	0	0	113.1	L160 A180 I184	Q156-L160 WeakPolarHBondContact O-CB 3.41Å; Q156-L160 PolarHBondContact O-N 3.08Å; Q156-A180 HydrophobicContact CB-CB 4.25Å; Q156-I184 HydrophobicContact CG-CG2 3.39Å; Q156-I184 VanDerWaalsContact NE2-CG2 3.34Å
157	K	78.7	Confident	89	Confident	176 Å²	176	44.6 Å²	44.6	77%	0.765	22%	0.218	S	C	*	.	H	α-helix	trans	-68.8	-40.1	176.9	-67.6	-176.6	179.8	178.6	0	111.9	T155 Y161	T155-K157 PolarHBondContact O-N 3.45Å; T155-K157 VanDerWaalsContact O-N 3.15Å; T155-K157 PolarHBondContact OG1-N 3.4Å; K157-Y161 WeakPolarHBondContact O-CB 3.36Å; K157-Y161 PolarHBondContact O-N 3.07Å
158	D	81.3	Confident	89	Confident	44 Å²	44	44.3 Å²	44.3	24%	0.235	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-37.6	177.2	-73.5	-68.6	0	0	0	113.2	L154 T155 R162	L154-D158 HydrophobicContact CB-CB 3.93Å; L154-D158 HydrophobicContact CD2-CB 3.8Å; L154-D158 HydrophobicContact CG-CB 4.43Å; T155-D158 WeakPolarHBondContact CB-OD2 3.3Å; T155-D158 PolarHBondContact N-OD2 3.32Å; T155-D158 VanDerWaalsContact N-OD2 3.16Å; T155-D158 WeakPolarHBondContact O-CA 3.36Å; T155-D158 WeakPolarHBondContact O-CB 3.5Å; T155-D158 PolarHBondContact O-N 3.29Å; T155-D158 PolarHBondContact OG1-N 3.28Å; T155-D158 PolarHBondContact OG1-OD2 3.28Å; D158-R162 WeakPolarHBondContact O-CD 3.41Å; D158-R162 VanDerWaalsContact O-CG 3.23Å; D158-R162 WeakPolarHBondContact O-CG 3.28Å; D158-R162 PolarHBondContact O-N 3.09Å; D158-R162 PolarHBondContact O-NH1 3.08Å; D158-R162 IonicContact OD1-NH1 3.14Å; D158-R162 PolarHBondContact OD1-NH1 3Å
159	I	88.2	Confident	89	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-72.3	-44.6	178.2	-59.8	168.5	0	0	0	109.7	I126 L154 T155 Y161 R162 L163 I171 L177 V181 I184	I126-I159 HydrophobicContact CD1-CD1 4.37Å; I126-I159 HydrophobicContact CD1-CG1 4.01Å; I126-I159 HydrophobicContact CD1-CG2 4.36Å; L154-I159 HydrophobicContact CB-CD1 4.47Å; L154-I159 HydrophobicContact CB-CG1 3.85Å; T155-I159 WeakPolarHBondContact O-CG1 3.43Å; T155-I159 PolarHBondContact O-N 3.19Å; I159-Y161 PolarHBondContact O-N 3.49Å; I159-R162 PolarHBondContact O-N 3.33Å; I159-R162 VanDerWaalsContact O-N 3.13Å; I159-L163 HydrophobicContact CG2-CD1 3.82Å; I159-L163 HydrophobicContact CG2-CG 4.27Å; I159-L163 WeakPolarHBondContact O-CG 3.18Å; I159-L163 PolarHBondContact O-N 3.32Å; I159-I171 HydrophobicContact CG2-CD1 3.92Å; I159-L177 HydrophobicContact CD1-CD2 4.4Å; I159-V181 HydrophobicContact CG2-CG2 4.21Å; I159-I184 HydrophobicContact CB-CD1 3.88Å; I159-I184 HydrophobicContact CG2-CD1 3.71Å
160	L	90.9	Very high	89.1	Confident	34 Å²	34	45 Å²	45	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-57.3	-49.7	176	174.7	60.6	0	0	0	111.6	Q156 R162 L163 Q164 I184 K187	Q156-L160 WeakPolarHBondContact O-CB 3.41Å; Q156-L160 PolarHBondContact O-N 3.08Å; L160-R162 PolarHBondContact O-N 3.29Å; L160-L163 PolarHBondContact O-N 3.27Å; L160-Q164 VanDerWaalsContact CD1-CD 3.5Å; L160-Q164 HydrophobicContact CD1-CG 3.88Å; L160-Q164 WeakPolarHBondContact O-CB 3.32Å; L160-Q164 WeakPolarHBondContact O-CG 3.5Å; L160-Q164 PolarHBondContact O-N 2.95Å; L160-I184 HydrophobicContact CB-CB 4.32Å; L160-I184 HydrophobicContact CB-CD1 3.92Å; L160-I184 HydrophobicContact CB-CG2 4.22Å; L160-I184 HydrophobicContact CD1-CB 4.2Å; L160-I184 HydrophobicContact CD2-CG2 4.46Å; L160-K187 HydrophobicContact CD1-CB 3.98Å; L160-K187 HydrophobicContact CD2-CD 4.45Å
161	Y	86.3	Confident	89.6	Confident	60 Å²	60	44.8 Å²	44.8	24%	0.235	22%	0.218	C	C	.	.	H	α-helix	trans	-55.1	-41.4	176.4	173.2	-101.6	0	0	0	112	K157 I159 S165 F234 Y241 P242	K157-Y161 WeakPolarHBondContact O-CB 3.36Å; K157-Y161 PolarHBondContact O-N 3.07Å; I159-Y161 PolarHBondContact O-N 3.49Å; Y161-S165 WeakPolarHBondContact CD2-OG 3.36Å; Y161-S165 WeakPolarHBondContact CE2-OG 3.37Å; Y161-S165 WeakPolarHBondContact O-CB 3.12Å; Y161-S165 PolarHBondContact O-N 2.93Å; Y161-S165 PolarHBondContact O-OG 2.82Å; Y161-F234 HydrophobicContact CD1-CE1 4.46Å; Y161-F234 HydrophobicContact CE1-CD1 4.18Å; Y161-F234 AromaticContact CE1-CE1 3.84Å; Y161-F234 HydrophobicContact CE1-CE1 3.84Å; Y161-Y241 AromaticContact CD2-CD1 3.99Å; Y161-Y241 HydrophobicContact CD2-CD1 3.99Å; Y161-Y241 HydrophobicContact CD2-CE1 4.37Å; Y161-Y241 HydrophobicContact CD2-CG 4.46Å; Y161-Y241 AromaticContact CE2-CD1 3.92Å; Y161-Y241 HydrophobicContact CE2-CD1 3.92Å; Y161-Y241 AromaticContact CE2-CG 3.95Å; Y161-Y241 HydrophobicContact CE2-CG 3.95Å; Y161-Y241 HydrophobicContact CG-CD1 4.35Å; Y161-P242 HydrophobicContact CE1-CB 4.31Å; Y161-P242 HydrophobicContact CE1-CG 4.4Å; Y161-P242 PolarHBondContact OH-O 3.26Å
162	R	91.5	Very high	90.2	Very high	27 Å²	27	44.2 Å²	44.2	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-73	-45.3	-178.6	-72.1	171.1	174	72	-2.4	112.2	I124 L154 D158 I159 L160 Q164 S166 F234	I124-R162 HydrophobicContact CD1-CB 3.99Å; L154-R162 VanDerWaalsContact CD2-CZ 3.46Å; D158-R162 WeakPolarHBondContact O-CD 3.41Å; D158-R162 VanDerWaalsContact O-CG 3.23Å; D158-R162 WeakPolarHBondContact O-CG 3.28Å; D158-R162 PolarHBondContact O-N 3.09Å; D158-R162 PolarHBondContact O-NH1 3.08Å; D158-R162 IonicContact OD1-NH1 3.14Å; D158-R162 PolarHBondContact OD1-NH1 3Å; I159-R162 PolarHBondContact O-N 3.33Å; I159-R162 VanDerWaalsContact O-N 3.13Å; L160-R162 PolarHBondContact O-N 3.29Å; R162-Q164 VanDerWaalsContact C-N 3.35Å; R162-Q164 PolarHBondContact O-N 3.42Å; R162-S166 VanDerWaalsContact O-CB 3.23Å; R162-S166 WeakPolarHBondContact O-CB 3.2Å; R162-S166 PolarHBondContact O-N 3.43Å; R162-S166 PolarHBondContact O-OG 3.49Å; R162-F234 HydrophobicContact CB-CD2 4.32Å; R162-F234 HydrophobicContact CB-CE2 3.76Å; R162-F234 HydrophobicContact CB-CZ 3.93Å; R162-F234 HydrophobicContact CG-CD1 4.16Å; R162-F234 HydrophobicContact CG-CD2 3.73Å; R162-F234 HydrophobicContact CG-CE1 4.05Å; R162-F234 HydrophobicContact CG-CE2 3.61Å; R162-F234 HydrophobicContact CG-CG 3.99Å; R162-F234 HydrophobicContact CG-CZ 3.77Å
163	L	96.8	Very high	90.8	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-56	-49.4	175.5	-78.4	166.5	0	0	0	111	I124 I159 L160 K167 A168 I171 I184 C188 L191	I124-L163 HydrophobicContact CD1-CD2 3.92Å; I124-L163 HydrophobicContact CD1-CG 4.07Å; I159-L163 HydrophobicContact CG2-CD1 3.82Å; I159-L163 HydrophobicContact CG2-CG 4.27Å; I159-L163 WeakPolarHBondContact O-CG 3.18Å; I159-L163 PolarHBondContact O-N 3.32Å; L160-L163 PolarHBondContact O-N 3.27Å; L163-K167 WeakPolarHBondContact O-CA 3.39Å; L163-K167 PolarHBondContact O-N 3.1Å; L163-A168 HydrophobicContact CD2-CB 4.19Å; L163-A168 PolarHBondContact O-N 3.43Å; L163-I171 HydrophobicContact CD1-CD1 4.39Å; L163-I171 HydrophobicContact CD2-CB 4.38Å; L163-I171 HydrophobicContact CD2-CD1 4.23Å; L163-I184 HydrophobicContact CD1-CD1 3.87Å; L163-I184 HydrophobicContact CD1-CG1 4.31Å; L163-C188 HydrophobicContact CB-CB 4.33Å; L163-L191 HydrophobicContact CD1-CD2 4.2Å; L163-L191 HydrophobicContact CD2-CD1 3.95Å; L163-L191 HydrophobicContact CD2-CD2 3.99Å; L163-L191 HydrophobicContact CD2-CG 4.39Å
164	Q	94.5	Very high	91.6	Very high	98 Å²	98	38.1 Å²	38.1	46%	0.458	18%	0.184	S	C	.	.	H	α-helix	trans	-68.8	-51.8	-179.9	-69.1	-178.5	-36.1	0	0	112.4	L160 R162 S166 K167 K187	L160-Q164 VanDerWaalsContact CD1-CD 3.5Å; L160-Q164 HydrophobicContact CD1-CG 3.88Å; L160-Q164 WeakPolarHBondContact O-CB 3.32Å; L160-Q164 WeakPolarHBondContact O-CG 3.5Å; L160-Q164 PolarHBondContact O-N 2.95Å; R162-Q164 VanDerWaalsContact C-N 3.35Å; R162-Q164 PolarHBondContact O-N 3.42Å; Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 3.45Å; Q164-K167 PolarHBondContact O-N 3.02Å; Q164-K167 VanDerWaalsContact O-N 3.13Å; Q164-K187 PolarHBondContact NE2-O 3.46Å
165	S	91	Very high	92.4	Very high	35 Å²	35	41.2 Å²	41.2	25%	0.245	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-38	-176.9	-53.9	0	0	0	0	112.2	Y161 M244	Y161-S165 WeakPolarHBondContact CD2-OG 3.36Å; Y161-S165 WeakPolarHBondContact CE2-OG 3.37Å; Y161-S165 WeakPolarHBondContact O-CB 3.12Å; Y161-S165 PolarHBondContact O-N 2.93Å; Y161-S165 PolarHBondContact O-OG 2.82Å; S165-M244 WeakPolarHBondContact O-CE 3.43Å
166	S	95.9	Very high	93	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-83.6	-9.8	176.6	69.8	0	0	0	0	113.9	R122 R162 Q164 A168 M244	R122-S166 WeakPolarHBondContact CD-O 3.41Å; R122-S166 PolarHBondContact NH1-O 3.26Å; R162-S166 VanDerWaalsContact O-CB 3.23Å; R162-S166 WeakPolarHBondContact O-CB 3.2Å; R162-S166 PolarHBondContact O-N 3.43Å; R162-S166 PolarHBondContact O-OG 3.49Å; Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 3.45Å; S166-A168 PolarHBondContact O-N 3.13Å; S166-A168 WeakPolarHBondContact OG-CB 3.31Å; S166-M244 VanDerWaalsContact CA-SD 3.55Å; S166-M244 VanDerWaalsContact CB-SD 3.52Å
167	K	97.5	Very high	93.5	Very high	103 Å²	103	39.7 Å²	39.7	45%	0.448	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	42.9	-175.1	-56.8	173.9	-175.8	167.5	0	111.7	L163 Q164 N190	L163-K167 WeakPolarHBondContact O-CA 3.39Å; L163-K167 PolarHBondContact O-N 3.1Å; Q164-K167 PolarHBondContact O-N 3.02Å; Q164-K167 VanDerWaalsContact O-N 3.13Å; K167-N190 HydrophobicContact CB-CB 4.35Å; K167-N190 WeakPolarHBondContact CB-OD1 3.46Å; K167-N190 WeakPolarHBondContact O-CB 3.28Å
168	A	98.3	Very high	94.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	16%	0.16	C	C	.	.			trans	-70.8	131.8	-171.2	0	0	0	0	0	112.8	R122 I124 L163 S166 N190 L191	R122-A168 HydrophobicContact CB-CB 4.46Å; R122-A168 CarbonylContact O-C 3.52Å; R122-A168 WeakPolarHBondContact O-CA 3.44Å; I124-A168 HydrophobicContact CD1-CB 3.88Å; I124-A168 HydrophobicContact CG1-CB 3.77Å; L163-A168 HydrophobicContact CD2-CB 4.19Å; L163-A168 PolarHBondContact O-N 3.43Å; S166-A168 PolarHBondContact O-N 3.13Å; S166-A168 WeakPolarHBondContact OG-CB 3.31Å; A168-N190 CarbonylContact O-C 3.51Å; A168-L191 WeakPolarHBondContact O-CA 3.46Å; A168-L191 PolarHBondContact O-N 2.8Å
169	N	98.6	Very high	95.2	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.123	17%	0.168	C	C	.	.	S	Bend	trans	-74.5	-38.4	178.5	-62.4	81.7	0	0	0	112.5	L117 D121 R122 N190 H192 S193	L117-N169 HydrophobicContact CD2-CB 3.5Å; L117-N169 VanDerWaalsContact CD2-CB 3.5Å; D121-N169 WeakPolarHBondContact CA-OD1 3.42Å; D121-N169 HydrophobicContact CB-CB 3.98Å; D121-N169 VanDerWaalsContact CB-CG 3.48Å; D121-N169 WeakPolarHBondContact CB-OD1 3.44Å; D121-N169 VanDerWaalsContact CG-CG 3.4Å; D121-N169 PolarHBondContact OD1-ND2 2.97Å; D121-N169 PolarHBondContact OD1-OD1 3.48Å; R122-N169 PolarHBondContact N-OD1 3.19Å; R122-N169 PolarHBondContact O-N 3.18Å; N169-N190 WeakPolarHBondContact CA-O 3.45Å; N169-H192 WeakPolarHBondContact CB-NE2 3.43Å; N169-H192 PolarHBondContact ND2-NE2 3.32Å; N169-H192 PolarHBondContact O-N 3.13Å; N169-S193 PolarHBondContact O-N 3.11Å
170	C	98.8	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.7	-176.3	-178.4	0	0	0	0	112.4	L117 R122 V123 I124 S193	L117-C170 HydrophobicContact CD1-CB 3.82Å; L117-C170 HydrophobicContact CD2-CB 3.93Å; L117-C170 HydrophobicContact CG-CB 4.43Å; R122-C170 PolarHBondContact O-N 3.19Å; V123-C170 WeakPolarHBondContact CA-O 3.35Å; V123-C170 HydrophobicContact CG1-CB 4.32Å; V123-C170 HydrophobicContact CG2-CB 4.32Å; I124-C170 PolarHBondContact N-O 3.01Å; C170-S193 WeakPolarHBondContact CA-O 3.47Å; C170-S193 PolarHBondContact SG-O 3.3Å
171	I	98.8	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.1	167.6	-169.8	162.5	0	0	0	111.3	I124 I126 I159 L163 V181 L191 S193 K194 L195 W205	I124-I171 HydrophobicContact CB-CG1 4.19Å; I124-I171 HydrophobicContact CG2-CD1 3.98Å; I124-I171 HydrophobicContact CG2-CG1 3.93Å; I124-I171 CarbonylContact O-C 3.55Å; I124-I171 WeakPolarHBondContact O-CA 3.34Å; I126-I171 HydrophobicContact CD1-CD1 4.35Å; I159-I171 HydrophobicContact CG2-CD1 3.92Å; L163-I171 HydrophobicContact CD1-CD1 4.39Å; L163-I171 HydrophobicContact CD2-CB 4.38Å; L163-I171 HydrophobicContact CD2-CD1 4.23Å; I171-V181 HydrophobicContact CD1-CG1 4.22Å; I171-V181 HydrophobicContact CD1-CG2 3.69Å; I171-V181 HydrophobicContact CG2-CG1 3.86Å; I171-L191 HydrophobicContact CB-CD1 4.12Å; I171-L191 HydrophobicContact CG2-CD1 3.87Å; I171-L191 HydrophobicContact CG2-CD2 4.16Å; I171-S193 PolarHBondContact N-O 3.42Å; I171-S193 VanDerWaalsContact N-O 3.09Å; I171-K194 HydrophobicContact CG2-CB 4.31Å; I171-K194 HydrophobicContact CG2-CG 4.03Å; I171-K194 WeakPolarHBondContact O-CA 3.5Å; I171-L195 PolarHBondContact O-N 3.03Å; I171-W205 HydrophobicContact CG2-CH2 4.22Å; I171-W205 HydrophobicContact CG2-CZ3 4.38Å
172	I	98.8	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.8	179	-45.8	-172.7	0	0	0	108.3	F107 L111 V123 I124 L125 I126 L127 L195 V197	F107-I172 HydrophobicContact CE2-CD1 4.06Å; F107-I172 HydrophobicContact CZ-CD1 3.78Å; L111-I172 HydrophobicContact CD2-CD1 4.04Å; V123-I172 HydrophobicContact CG1-CD1 3.7Å; V123-I172 HydrophobicContact CG1-CG1 3.9Å; I124-I172 PolarHBondContact O-N 2.96Å; L125-I172 HydrophobicContact CD1-CB 3.8Å; L125-I172 HydrophobicContact CD1-CG2 3.92Å; I126-I172 PolarHBondContact N-O 3.13Å; L127-I172 HydrophobicContact CD1-CG2 4.32Å; I172-L195 WeakPolarHBondContact CA-O 3.41Å; I172-L195 HydrophobicContact CB-CB 4.42Å; I172-L195 HydrophobicContact CD1-CD1 4.09Å; I172-L195 HydrophobicContact CG1-CB 4.16Å; I172-L195 HydrophobicContact CG1-CD1 4.28Å; I172-L195 HydrophobicContact CG2-CB 4.1Å; I172-V197 HydrophobicContact CG2-CG2 4.38Å
173	T	98.6	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-170.6	-176.8	-158.4	0	0	0	0	113.6	I126 L127 L177 A178 V181 L195 I196 V197 W205	I126-T173 WeakPolarHBondContact O-CA 3.44Å; I126-T173 WeakPolarHBondContact O-CB 3.39Å; I126-T173 PolarHBondContact O-OG1 3.09Å; L127-T173 VanDerWaalsContact CD2-C 3.45Å; T173-L177 HydrophobicContact CG2-CB 4.27Å; T173-L177 WeakPolarHBondContact OG1-CB 3.41Å; T173-A178 HydrophobicContact CG2-CB 4.4Å; T173-V181 HydrophobicContact CG2-CG2 4.31Å; T173-L195 PolarHBondContact N-O 3.41Å; T173-I196 CarbonylContact O-C 3.47Å; T173-I196 WeakPolarHBondContact O-CA 3.48Å; T173-V197 PolarHBondContact O-N 3.17Å; T173-W205 HydrophobicContact CG2-CH2 3.61Å; T173-W205 HydrophobicContact CG2-CZ3 3.71Å
174	N	96.6	Very high	96.4	Very high	25 Å²	25	32 Å²	32	13%	0.134	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	177.2	-178.5	68.8	-1.2	0	0	0	112.4	L127 V176 L177 A178	L127-N174 HydrophobicContact CD2-CB 4.28Å; N174-V176 PolarHBondContact O-N 3.44Å; N174-V176 VanDerWaalsContact O-N 3.16Å; N174-V176 PolarHBondContact OD1-N 2.82Å; N174-L177 PolarHBondContact O-N 3.38Å; N174-L177 PolarHBondContact OD1-N 3.4Å; N174-A178 WeakPolarHBondContact O-CB 3.45Å; N174-A178 PolarHBondContact O-N 3.25Å
175	D	96.1	Very high	96.5	Very high	71 Å²	71	28.4 Å²	28.4	38%	0.38	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31	-179.7	-52.2	-87.8	0	0	0	114.5	L177 P179 S198	D175-L177 VanDerWaalsContact C-N 3.34Å; D175-L177 PolarHBondContact O-N 3.01Å; D175-P179 WeakPolarHBondContact O-CD 3.24Å; D175-S198 WeakPolarHBondContact OD1-CB 3.26Å; D175-S198 PolarHBondContact OD1-OG 3.33Å; D175-S198 WeakPolarHBondContact OD2-CB 3.27Å; D175-S198 PolarHBondContact OD2-OG 2.83Å
176	V	92.9	Very high	96.8	Very high	117 Å²	117	32.4 Å²	32.4	71%	0.709	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-36.4	-176.7	-178	0	0	0	0	111.1	N174	N174-V176 PolarHBondContact O-N 3.44Å; N174-V176 VanDerWaalsContact O-N 3.16Å; N174-V176 PolarHBondContact OD1-N 2.82Å
177	L	94.3	Very high	96.8	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.079	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-19.1	-174.7	-64.3	172.8	0	0	0	113.7	I126 I159 T173 N174 D175 P179 A180 V181	I126-L177 HydrophobicContact CB-CD1 4.37Å; I126-L177 HydrophobicContact CG2-CD1 3.42Å; I126-L177 VanDerWaalsContact CG2-CD1 3.42Å; I159-L177 HydrophobicContact CD1-CD2 4.4Å; T173-L177 HydrophobicContact CG2-CB 4.27Å; T173-L177 WeakPolarHBondContact OG1-CB 3.41Å; N174-L177 PolarHBondContact O-N 3.38Å; N174-L177 PolarHBondContact OD1-N 3.4Å; D175-L177 VanDerWaalsContact C-N 3.34Å; D175-L177 PolarHBondContact O-N 3.01Å; L177-P179 VanDerWaalsContact C-CD 3.47Å; L177-P179 VanDerWaalsContact C-N 3.34Å; L177-A180 WeakPolarHBondContact O-CB 3.5Å; L177-A180 PolarHBondContact O-N 3.01Å; L177-V181 WeakPolarHBondContact O-CG2 3.36Å; L177-V181 PolarHBondContact O-N 3.47Å
178	A	97.6	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-51.9	-42	176.9	0	0	0	0	0	113.9	T173 N174 A180 V181 D182 I196 W205	T173-A178 HydrophobicContact CG2-CB 4.4Å; N174-A178 WeakPolarHBondContact O-CB 3.45Å; N174-A178 PolarHBondContact O-N 3.25Å; A178-A180 VanDerWaalsContact C-N 3.35Å; A178-A180 PolarHBondContact O-N 3.39Å; A178-V181 PolarHBondContact O-N 3.06Å; A178-D182 VanDerWaalsContact O-CG 3.31Å; A178-D182 PolarHBondContact O-N 2.96Å; A178-I196 HydrophobicContact CB-CD1 3.96Å; A178-W205 HydrophobicContact CB-CD2 4.46Å; A178-W205 HydrophobicContact CB-CH2 4Å; A178-W205 HydrophobicContact CB-CZ2 3.67Å
179	P	96.9	Very high	96.7	Very high	62 Å²	62	43.4 Å²	43.4	40%	0.403	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-38.2	174.4	-23	33.7	0	0	0	113.7	D175 L177 V181 D182 A183	D175-P179 WeakPolarHBondContact O-CD 3.24Å; L177-P179 VanDerWaalsContact C-CD 3.47Å; L177-P179 VanDerWaalsContact C-N 3.34Å; P179-V181 VanDerWaalsContact C-N 3.33Å; P179-D182 PolarHBondContact O-N 3.02Å; P179-A183 PolarHBondContact O-N 3.44Å
180	A	92.3	Very high	96.6	Very high	23 Å²	23	45.7 Å²	45.7	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-33.8	177.2	0	0	0	0	0	111.7	Q156 L177 A178 I184	Q156-A180 HydrophobicContact CB-CB 4.25Å; L177-A180 WeakPolarHBondContact O-CB 3.5Å; L177-A180 PolarHBondContact O-N 3.01Å; A178-A180 VanDerWaalsContact C-N 3.35Å; A178-A180 PolarHBondContact O-N 3.39Å; A180-I184 WeakPolarHBondContact O-CG1 3.38Å
181	V	97.6	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-43.8	173.4	175.7	0	0	0	0	111.5	I159 I171 T173 L177 A178 P179 A183 I184 A185 K194 W205	I159-V181 HydrophobicContact CG2-CG2 4.21Å; I171-V181 HydrophobicContact CD1-CG1 4.22Å; I171-V181 HydrophobicContact CD1-CG2 3.69Å; I171-V181 HydrophobicContact CG2-CG1 3.86Å; T173-V181 HydrophobicContact CG2-CG2 4.31Å; L177-V181 WeakPolarHBondContact O-CG2 3.36Å; L177-V181 PolarHBondContact O-N 3.47Å; A178-V181 PolarHBondContact O-N 3.06Å; P179-V181 VanDerWaalsContact C-N 3.33Å; V181-A183 VanDerWaalsContact C-N 3.27Å; V181-A183 PolarHBondContact O-N 2.89Å; V181-I184 WeakPolarHBondContact O-CG1 3.44Å; V181-I184 PolarHBondContact O-N 3.21Å; V181-A185 WeakPolarHBondContact O-CB 3.5Å; V181-A185 PolarHBondContact O-N 3.18Å; V181-K194 HydrophobicContact CG1-CD 4.36Å; V181-W205 HydrophobicContact CB-CH2 3.83Å; V181-W205 HydrophobicContact CB-CZ2 3.82Å; V181-W205 HydrophobicContact CG1-CH2 3.67Å; V181-W205 HydrophobicContact CG1-CZ2 3.76Å; V181-W205 HydrophobicContact CG2-CH2 4.21Å
182	D	97.9	Very high	96.4	Very high	42 Å²	42	51.7 Å²	51.7	23%	0.225	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-38.9	179.1	-70.1	-33.7	0	0	0	111.8	A178 P179 I184 P186 K194 R202 W205	A178-D182 VanDerWaalsContact O-CG 3.31Å; A178-D182 PolarHBondContact O-N 2.96Å; P179-D182 PolarHBondContact O-N 3.02Å; D182-I184 PolarHBondContact O-N 3.38Å; D182-I184 VanDerWaalsContact O-N 3.13Å; D182-P186 WeakPolarHBondContact O-CD 3.42Å; D182-K194 IonicContact OD1-NZ 3.2Å; D182-K194 PolarHBondContact OD1-NZ 3.41Å; D182-R202 IonicContact OD2-CZ 2.71Å; D182-R202 IonicContact OD2-NE 2.83Å; D182-R202 PolarHBondContact OD2-NE 3.05Å; D182-R202 IonicContact OD2-NH2 3.19Å; D182-R202 PolarHBondContact OD2-NH2 3.23Å; D182-W205 PolarHBondContact OD1-NE1 2.7Å; D182-W205 PolarHBondContact OD2-NE1 3.37Å
183	A	95.9	Very high	96.3	Very high	55 Å²	55	52.5 Å²	52.5	46%	0.455	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.6	176.9	0	0	0	0	0	115.1	P179 V181	P179-A183 PolarHBondContact O-N 3.44Å; V181-A183 VanDerWaalsContact C-N 3.27Å; V181-A183 PolarHBondContact O-N 2.89Å
184	I	95.9	Very high	96.3	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-15.9	-179.2	62.4	178.2	0	0	0	114.4	Q156 I159 L160 L163 A180 V181 D182 P186 K187 C188	Q156-I184 HydrophobicContact CG-CG2 3.39Å; Q156-I184 VanDerWaalsContact NE2-CG2 3.34Å; I159-I184 HydrophobicContact CB-CD1 3.88Å; I159-I184 HydrophobicContact CG2-CD1 3.71Å; L160-I184 HydrophobicContact CB-CB 4.32Å; L160-I184 HydrophobicContact CB-CD1 3.92Å; L160-I184 HydrophobicContact CB-CG2 4.22Å; L160-I184 HydrophobicContact CD1-CB 4.2Å; L160-I184 HydrophobicContact CD2-CG2 4.46Å; L163-I184 HydrophobicContact CD1-CD1 3.87Å; L163-I184 HydrophobicContact CD1-CG1 4.31Å; A180-I184 WeakPolarHBondContact O-CG1 3.38Å; V181-I184 WeakPolarHBondContact O-CG1 3.44Å; V181-I184 PolarHBondContact O-N 3.21Å; D182-I184 PolarHBondContact O-N 3.38Å; D182-I184 VanDerWaalsContact O-N 3.13Å; I184-P186 VanDerWaalsContact C-CD 3.44Å; I184-P186 VanDerWaalsContact C-N 3.32Å; I184-K187 WeakPolarHBondContact O-CA 3.5Å; I184-K187 WeakPolarHBondContact O-CB 3.32Å; I184-K187 PolarHBondContact O-N 2.97Å; I184-C188 PolarHBondContact O-SG 2.82Å
185	A	96.6	Very high	96.4	Very high	22 Å²	22	53.6 Å²	53.6	18%	0.182	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-53.2	-39.9	-179.5	0	0	0	0	0	113.4	V181 K187 C188 L191	V181-A185 WeakPolarHBondContact O-CB 3.5Å; V181-A185 PolarHBondContact O-N 3.18Å; A185-K187 PolarHBondContact O-N 3.42Å; A185-C188 PolarHBondContact O-N 3.18Å; A185-L191 HydrophobicContact CB-CD2 4.06Å
186	P	96.8	Very high	96.5	Very high	119 Å²	119	50.2 Å²	50.2	77%	0.773	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-62.1	-9.8	174.5	-24.2	35.5	0	0	0	115.6	D182 I184	D182-P186 WeakPolarHBondContact O-CD 3.42Å; I184-P186 VanDerWaalsContact C-CD 3.44Å; I184-P186 VanDerWaalsContact C-N 3.32Å
187	K	96.4	Very high	96.8	Very high	129 Å²	129	45.3 Å²	45.3	56%	0.561	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-102.5	6.9	177.7	-53.5	-178.9	-178.2	179.7	0	112.8	L160 Q164 I184 A185	L160-K187 HydrophobicContact CD1-CB 3.98Å; L160-K187 HydrophobicContact CD2-CD 4.45Å; Q164-K187 PolarHBondContact NE2-O 3.46Å; I184-K187 WeakPolarHBondContact O-CA 3.5Å; I184-K187 WeakPolarHBondContact O-CB 3.32Å; I184-K187 PolarHBondContact O-N 2.97Å; A185-K187 PolarHBondContact O-N 3.42Å
188	C	96.8	Very high	96.9	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.061	25%	0.248	C	C	.	.			trans	-121.9	83.2	-171.4	-58.6	0	0	0	0	109.8	L163 I184 A185 N190 L191	L163-C188 HydrophobicContact CB-CB 4.33Å; I184-C188 PolarHBondContact O-SG 2.82Å; A185-C188 PolarHBondContact O-N 3.18Å; C188-N190 PolarHBondContact O-N 3.36Å; C188-N190 VanDerWaalsContact O-N 3.1Å; C188-L191 HydrophobicContact CB-CB 3.83Å; C188-L191 HydrophobicContact CB-CD2 4.4Å; C188-L191 WeakPolarHBondContact O-CB 3.46Å; C188-L191 PolarHBondContact O-N 3.13Å
189	E	95.4	Very high	96.6	Very high	197 Å²	197	51.4 Å²	51.4	92%	0.921	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.8	-171.1	-63.6	173.7	-176	0	0	114.7
190	N	97.1	Very high	96.4	Very high	71 Å²	71	53.7 Å²	53.7	38%	0.38	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.8	179.8	-60.5	104.6	0	0	0	114.2	K167 A168 N169 C188 H192	K167-N190 HydrophobicContact CB-CB 4.35Å; K167-N190 WeakPolarHBondContact CB-OD1 3.46Å; K167-N190 WeakPolarHBondContact O-CB 3.28Å; A168-N190 CarbonylContact O-C 3.51Å; N169-N190 WeakPolarHBondContact CA-O 3.45Å; C188-N190 PolarHBondContact O-N 3.36Å; C188-N190 VanDerWaalsContact O-N 3.1Å; N190-H192 PolarHBondContact O-CD2 2.88Å; N190-H192 PolarHBondContact O-N 2.96Å; N190-H192 VanDerWaalsContact O-N 3.16Å
191	L	98.1	Very high	96.5	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.131	31%	0.313	C	S	.	.			trans	-81.4	99	-171.2	-178.3	67.6	0	0	0	111.1	L163 A168 I171 A185 C188 K194	L163-L191 HydrophobicContact CD1-CD2 4.2Å; L163-L191 HydrophobicContact CD2-CD1 3.95Å; L163-L191 HydrophobicContact CD2-CD2 3.99Å; L163-L191 HydrophobicContact CD2-CG 4.39Å; A168-L191 WeakPolarHBondContact O-CA 3.46Å; A168-L191 PolarHBondContact O-N 2.8Å; I171-L191 HydrophobicContact CB-CD1 4.12Å; I171-L191 HydrophobicContact CG2-CD1 3.87Å; I171-L191 HydrophobicContact CG2-CD2 4.16Å; A185-L191 HydrophobicContact CB-CD2 4.06Å; C188-L191 HydrophobicContact CB-CB 3.83Å; C188-L191 HydrophobicContact CB-CD2 4.4Å; C188-L191 WeakPolarHBondContact O-CB 3.46Å; C188-L191 PolarHBondContact O-N 3.13Å; L191-K194 HydrophobicContact CD2-CG 4.48Å
192	H	95.5	Very high	96.5	Very high	101 Å²	101	61.8 Å²	61.8	47%	0.468	33%	0.329	S	S	.	.			trans	-106	-12.6	-179.8	57.7	78.8	0	0	0	114.5	N169 N190	N169-H192 WeakPolarHBondContact CB-NE2 3.43Å; N169-H192 PolarHBondContact ND2-NE2 3.32Å; N169-H192 PolarHBondContact O-N 3.13Å; N190-H192 PolarHBondContact O-CD2 2.88Å; N190-H192 PolarHBondContact O-N 2.96Å; N190-H192 VanDerWaalsContact O-N 3.16Å
193	S	97.6	Very high	96.4	Very high	18 Å²	18	68.9 Å²	68.9	13%	0.126	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.2	-178.1	-58.5	0	0	0	0	113.6	C115 N169 C170 I171	C115-S193 PolarHBondContact O-OG 3.41Å; N169-S193 PolarHBondContact O-N 3.11Å; C170-S193 WeakPolarHBondContact CA-O 3.47Å; C170-S193 PolarHBondContact SG-O 3.3Å; I171-S193 PolarHBondContact N-O 3.42Å; I171-S193 VanDerWaalsContact N-O 3.09Å
194	K	98.5	Very high	96.5	Very high	45 Å²	45	69.1 Å²	69.1	20%	0.196	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.4	-178.4	-55.6	-174.4	-54.9	-174.4	0	109.5	I171 V181 D182 L191 G204 W205 G206	I171-K194 HydrophobicContact CG2-CB 4.31Å; I171-K194 HydrophobicContact CG2-CG 4.03Å; I171-K194 WeakPolarHBondContact O-CA 3.5Å; V181-K194 HydrophobicContact CG1-CD 4.36Å; D182-K194 IonicContact OD1-NZ 3.2Å; D182-K194 PolarHBondContact OD1-NZ 3.41Å; L191-K194 HydrophobicContact CD2-CG 4.48Å; K194-G204 WeakPolarHBondContact CE-O 3.39Å; K194-G204 PolarHBondContact NZ-O 3.43Å; K194-W205 HydrophobicContact CB-CD2 3.67Å; K194-W205 HydrophobicContact CB-CE3 3.48Å; K194-W205 VanDerWaalsContact CB-CE3 3.48Å; K194-W205 HydrophobicContact CB-CG 4.27Å; K194-W205 HydrophobicContact CB-CH2 4.1Å; K194-W205 HydrophobicContact CB-CZ2 4.26Å; K194-W205 HydrophobicContact CB-CZ3 3.7Å; K194-W205 HydrophobicContact CD-CD2 4.4Å; K194-W205 HydrophobicContact CD-CH2 4.3Å; K194-W205 HydrophobicContact CD-CZ2 3.88Å; K194-W205 WeakPolarHBondContact O-CA 3.33Å; K194-G206 PolarHBondContact O-N 3.47Å
195	L	98.8	Very high	96.6	Very high	2 Å²	2	70 Å²	70	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.5	177.5	-66.5	179.7	0	0	0	111	F107 I110 L111 I171 I172 T173 W205 G206 M211	F107-L195 HydrophobicContact CE2-CD1 4.03Å; I110-L195 HydrophobicContact CG2-CD1 4.12Å; L111-L195 HydrophobicContact CD2-CD1 4.06Å; I171-L195 PolarHBondContact O-N 3.03Å; I172-L195 WeakPolarHBondContact CA-O 3.41Å; I172-L195 HydrophobicContact CB-CB 4.42Å; I172-L195 HydrophobicContact CD1-CD1 4.09Å; I172-L195 HydrophobicContact CG1-CB 4.16Å; I172-L195 HydrophobicContact CG1-CD1 4.28Å; I172-L195 HydrophobicContact CG2-CB 4.1Å; T173-L195 PolarHBondContact N-O 3.41Å; L195-W205 WeakPolarHBondContact O-CZ3 3.32Å; L195-G206 CarbonylContact C-O 3.53Å; L195-G206 WeakPolarHBondContact CA-O 3.21Å; L195-M211 HydrophobicContact CD2-CE 4.44Å; L195-M211 HydrophobicContact CD2-SD 4.03Å
196	I	98.5	Very high	96.6	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.8	179.1	-164.8	171.5	0	0	0	110.9	T173 A178 R202 W205 G206 N207 L208	T173-I196 CarbonylContact O-C 3.47Å; T173-I196 WeakPolarHBondContact O-CA 3.48Å; A178-I196 HydrophobicContact CB-CD1 3.96Å; I196-R202 HydrophobicContact CD1-CB 4.09Å; I196-W205 HydrophobicContact CB-CB 4.22Å; I196-W205 HydrophobicContact CB-CD2 4.32Å; I196-W205 HydrophobicContact CB-CE3 3.83Å; I196-W205 HydrophobicContact CG2-CB 3.92Å; I196-G206 PolarHBondContact N-O 2.89Å; I196-N207 HydrophobicContact CG2-CB 4.29Å; I196-L208 PolarHBondContact O-N 3.21Å
197	V	98.2	Very high	96.7	Very high	14 Å²	14	64.9 Å²	64.9	9%	0.085	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	98.3	169.4	-175.4	0	0	0	0	107.6	L127 E132 I172 T173 L208	L127-V197 HydrophobicContact CD1-CB 4.48Å; L127-V197 HydrophobicContact CD1-CG2 3.71Å; L127-V197 HydrophobicContact CD2-CB 3.87Å; L127-V197 HydrophobicContact CD2-CG2 3.77Å; L127-V197 HydrophobicContact CG-CG2 4.4Å; E132-V197 HydrophobicContact CB-CG1 4.21Å; E132-V197 HydrophobicContact CB-CG2 4.15Å; E132-V197 HydrophobicContact CG-CG1 3.82Å; E132-V197 HydrophobicContact CG-CG2 4.35Å; I172-V197 HydrophobicContact CG2-CG2 4.38Å; T173-V197 PolarHBondContact O-N 3.17Å; V197-L208 HydrophobicContact CG2-CB 4.26Å; V197-L208 HydrophobicContact CG2-CD2 3.77Å
198	S	95.8	Very high	96.8	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.028	31%	0.314	C	S	.	.	S	Bend	trans	-154.3	157.4	-173.9	-179.5	0	0	0	0	110.3	D175 N200 N207	D175-S198 WeakPolarHBondContact OD1-CB 3.26Å; D175-S198 PolarHBondContact OD1-OG 3.33Å; D175-S198 WeakPolarHBondContact OD2-CB 3.27Å; D175-S198 PolarHBondContact OD2-OG 2.83Å; S198-N200 WeakPolarHBondContact CB-O 3.46Å; S198-N200 PolarHBondContact OG-N 2.77Å; S198-N200 PolarHBondContact OG-O 2.71Å; S198-N207 PolarHBondContact O-ND2 2.78Å
199	E	92.8	Very high	96.8	Very high	140 Å²	140	61.2 Å²	61.2	65%	0.654	32%	0.323	S	S	*	.	S	Bend	trans	-73	-18.6	164.5	-53.9	-49.2	131.1	0	0	112.3	K209	E199-K209 IonicContact OE1-NZ 2.69Å; E199-K209 PolarHBondContact OE1-NZ 3.02Å
200	N	92.9	Very high	96.8	Very high	109 Å²	109	55.8 Å²	55.8	58%	0.583	30%	0.298	S	S	*	.	S	Bend	trans	-107.9	150.3	-176.1	-61.1	-67.9	0	0	0	111.8	S198 N207	S198-N200 WeakPolarHBondContact CB-O 3.46Å; S198-N200 PolarHBondContact OG-N 2.77Å; S198-N200 PolarHBondContact OG-O 2.71Å; N200-N207 PolarHBondContact O-ND2 3.42Å
201	S	94.4	Very high	96.9	Very high	104 Å²	104	54.8 Å²	54.8	73%	0.727	29%	0.291	S	S	*	.			trans	-78.5	147	167.8	-66.9	0	0	0	0	110.9
202	R	96.8	Very high	96.8	Very high	90 Å²	90	54.9 Å²	54.9	34%	0.34	29%	0.291	S	S	.	.			trans	-130	132.6	174.6	-175.6	178.4	-177	77.7	6.1	109.3	D182 I196 G204 W205	D182-R202 IonicContact OD2-CZ 2.71Å; D182-R202 IonicContact OD2-NE 2.83Å; D182-R202 PolarHBondContact OD2-NE 3.05Å; D182-R202 IonicContact OD2-NH2 3.19Å; D182-R202 PolarHBondContact OD2-NH2 3.23Å; I196-R202 HydrophobicContact CD1-CB 4.09Å; R202-G204 PolarHBondContact O-N 3.13Å; R202-W205 HydrophobicContact CB-CB 4.21Å; R202-W205 HydrophobicContact CB-CG 4.3Å; R202-W205 HydrophobicContact CG-CG 4.26Å; R202-W205 PolarHBondContact O-N 3.09Å; R202-W205 VanDerWaalsContact O-N 3.13Å
203	E	96.5	Very high	96.9	Very high	190 Å²	190	56.4 Å²	56.4	89%	0.888	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	132.9	-179.8	-171.1	-178	171.3	0	0	111.5	W205	E203-W205 VanDerWaalsContact C-N 3.3Å; E203-W205 PolarHBondContact O-N 2.79Å
204	G	96.3	Very high	96.7	Very high	60 Å²	60	61.3 Å²	61.3	62%	0.619	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	15.3	-176.9	0	0	0	0	0	115.1	K194 R202	K194-G204 WeakPolarHBondContact CE-O 3.39Å; K194-G204 PolarHBondContact NZ-O 3.43Å; R202-G204 PolarHBondContact O-N 3.13Å
205	W	98.4	Very high	96.7	Very high	22 Å²	22	60 Å²	60	8%	0.083	33%	0.327	C	S	.	.	S	Bend	trans	-129.1	139.2	175	-68.4	74.9	0	0	0	111.1	I171 T173 A178 V181 D182 K194 L195 I196 R202 E203	I171-W205 HydrophobicContact CG2-CH2 4.22Å; I171-W205 HydrophobicContact CG2-CZ3 4.38Å; T173-W205 HydrophobicContact CG2-CH2 3.61Å; T173-W205 HydrophobicContact CG2-CZ3 3.71Å; A178-W205 HydrophobicContact CB-CD2 4.46Å; A178-W205 HydrophobicContact CB-CH2 4Å; A178-W205 HydrophobicContact CB-CZ2 3.67Å; V181-W205 HydrophobicContact CB-CH2 3.83Å; V181-W205 HydrophobicContact CB-CZ2 3.82Å; V181-W205 HydrophobicContact CG1-CH2 3.67Å; V181-W205 HydrophobicContact CG1-CZ2 3.76Å; V181-W205 HydrophobicContact CG2-CH2 4.21Å; D182-W205 PolarHBondContact OD1-NE1 2.7Å; D182-W205 PolarHBondContact OD2-NE1 3.37Å; K194-W205 HydrophobicContact CB-CD2 3.67Å; K194-W205 HydrophobicContact CB-CE3 3.48Å; K194-W205 VanDerWaalsContact CB-CE3 3.48Å; K194-W205 HydrophobicContact CB-CG 4.27Å; K194-W205 HydrophobicContact CB-CH2 4.1Å; K194-W205 HydrophobicContact CB-CZ2 4.26Å; K194-W205 HydrophobicContact CB-CZ3 3.7Å; K194-W205 HydrophobicContact CD-CD2 4.4Å; K194-W205 HydrophobicContact CD-CH2 4.3Å; K194-W205 HydrophobicContact CD-CZ2 3.88Å; K194-W205 WeakPolarHBondContact O-CA 3.33Å; L195-W205 WeakPolarHBondContact O-CZ3 3.32Å; I196-W205 HydrophobicContact CB-CB 4.22Å; I196-W205 HydrophobicContact CB-CD2 4.32Å; I196-W205 HydrophobicContact CB-CE3 3.83Å; I196-W205 HydrophobicContact CG2-CB 3.92Å; R202-W205 HydrophobicContact CB-CB 4.21Å; R202-W205 HydrophobicContact CB-CG 4.3Å; R202-W205 HydrophobicContact CG-CG 4.26Å; R202-W205 PolarHBondContact O-N 3.09Å; R202-W205 VanDerWaalsContact O-N 3.13Å; E203-W205 VanDerWaalsContact C-N 3.3Å; E203-W205 PolarHBondContact O-N 2.79Å
206	G	98.2	Very high	96.6	Very high	22 Å²	22	63.1 Å²	63.1	23%	0.227	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.9	167.5	0	0	0	0	0	110.6	K194 L195 I196 L208	K194-G206 PolarHBondContact O-N 3.47Å; L195-G206 CarbonylContact C-O 3.53Å; L195-G206 WeakPolarHBondContact CA-O 3.21Å; I196-G206 PolarHBondContact N-O 2.89Å; G206-L208 PolarHBondContact O-N 2.98Å
207	N	98.1	Very high	96.5	Very high	11 Å²	11	65.9 Å²	65.9	6%	0.059	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	110.5	173.6	-177.6	-56.9	0	0	0	109.5	I196 S198 N200 K209 E210 M211	I196-N207 HydrophobicContact CG2-CB 4.29Å; S198-N207 PolarHBondContact O-ND2 2.78Å; N200-N207 PolarHBondContact O-ND2 3.42Å; N207-K209 VanDerWaalsContact C-N 3.32Å; N207-K209 PolarHBondContact O-N 3.3Å; N207-K209 WeakPolarHBondContact OD1-CA 3.49Å; N207-K209 WeakPolarHBondContact OD1-CB 3.27Å; N207-K209 PolarHBondContact OD1-N 2.86Å; N207-E210 HydrophobicContact CB-CB 4.42Å; N207-E210 HydrophobicContact CB-CG 4.37Å; N207-E210 PolarHBondContact O-N 3.5Å; N207-E210 PolarHBondContact OD1-N 3.44Å; N207-M211 WeakPolarHBondContact O-CG 3.37Å; N207-M211 PolarHBondContact O-N 3.47Å; N207-M211 VanDerWaalsContact O-N 3.08Å
208	L	98.2	Very high	96.4	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-62.3	-38.4	-175.5	179.7	63.8	0	0	0	112.4	F107 I110 E132 I196 V197 G206 M211 M212	F107-L208 HydrophobicContact CD1-CD1 4.38Å; F107-L208 HydrophobicContact CD1-CD2 4.23Å; F107-L208 HydrophobicContact CD2-CD1 3.58Å; F107-L208 HydrophobicContact CE1-CD1 4.22Å; F107-L208 HydrophobicContact CE1-CD2 3.51Å; F107-L208 HydrophobicContact CE1-CG 4.49Å; F107-L208 HydrophobicContact CE2-CD1 3.42Å; F107-L208 VanDerWaalsContact CE2-CD1 3.42Å; F107-L208 HydrophobicContact CE2-CD2 3.97Å; F107-L208 HydrophobicContact CE2-CG 4.36Å; F107-L208 HydrophobicContact CG-CD1 4.11Å; F107-L208 HydrophobicContact CZ-CD1 3.76Å; F107-L208 HydrophobicContact CZ-CD2 3.37Å; F107-L208 HydrophobicContact CZ-CG 4.23Å; I110-L208 HydrophobicContact CD1-CD1 3.97Å; I110-L208 HydrophobicContact CG2-CD1 4.24Å; E132-L208 HydrophobicContact CB-CD2 4.07Å; E132-L208 HydrophobicContact CG-CD2 4.11Å; I196-L208 PolarHBondContact O-N 3.21Å; V197-L208 HydrophobicContact CG2-CB 4.26Å; V197-L208 HydrophobicContact CG2-CD2 3.77Å; G206-L208 PolarHBondContact O-N 2.98Å; L208-M211 PolarHBondContact O-N 2.67Å; L208-M212 HydrophobicContact CD1-CG 3.92Å; L208-M212 HydrophobicContact CG-CG 4.13Å; L208-M212 VanDerWaalsContact O-CB 3.28Å; L208-M212 WeakPolarHBondContact O-CB 3.33Å; L208-M212 WeakPolarHBondContact O-CG 3.41Å; L208-M212 PolarHBondContact O-N 2.76Å
209	K	96.1	Very high	96.5	Very high	59 Å²	59	70.8 Å²	70.8	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-42.5	-177.4	-69.8	-167.3	169.6	-165.7	0	111.6	E132 E199 N207	E132-K209 WeakPolarHBondContact OE1-CE 3.32Å; E132-K209 IonicContact OE1-NZ 3.99Å; E199-K209 IonicContact OE1-NZ 2.69Å; E199-K209 PolarHBondContact OE1-NZ 3.02Å; N207-K209 VanDerWaalsContact C-N 3.32Å; N207-K209 PolarHBondContact O-N 3.3Å; N207-K209 WeakPolarHBondContact OD1-CA 3.49Å; N207-K209 WeakPolarHBondContact OD1-CB 3.27Å; N207-K209 PolarHBondContact OD1-N 2.86Å
210	E	96.9	Very high	96.7	Very high	83 Å²	83	70.3 Å²	70.3	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-68.4	-45.9	175.4	-63.3	-48.9	126.1	0	0	111.9	N207 M212 K213	N207-E210 HydrophobicContact CB-CB 4.42Å; N207-E210 HydrophobicContact CB-CG 4.37Å; N207-E210 PolarHBondContact O-N 3.5Å; N207-E210 PolarHBondContact OD1-N 3.44Å; E210-M212 VanDerWaalsContact C-N 3.26Å; E210-M212 PolarHBondContact O-N 2.9Å; E210-K213 WeakPolarHBondContact O-CB 3.46Å; E210-K213 PolarHBondContact O-N 3.45Å; E210-K213 VanDerWaalsContact O-N 3.08Å; E210-K213 WeakPolarHBondContact OE1-CE 3.41Å; E210-K213 IonicContact OE1-NZ 2.75Å; E210-K213 PolarHBondContact OE1-NZ 3.21Å; E210-K213 WeakPolarHBondContact OE2-CE 3.43Å; E210-K213 IonicContact OE2-NZ 3.41Å; E210-K213 PolarHBondContact OE2-NZ 2.72Å
211	M	97.8	Very high	96.9	Very high	50 Å²	50	65.9 Å²	65.9	25%	0.246	38%	0.38	C	S	.	.	H	α-helix	trans	-59.6	-37.8	178.8	-65.7	168.5	82.7	0	0	112	I110 A114 L195 N207 L208 K213 C214 A215	I110-M211 HydrophobicContact CD1-CB 3.63Å; I110-M211 HydrophobicContact CG1-CB 4.09Å; I110-M211 HydrophobicContact CG2-CE 3.74Å; I110-M211 HydrophobicContact CG2-SD 4.38Å; A114-M211 HydrophobicContact CB-CE 3.32Å; L195-M211 HydrophobicContact CD2-CE 4.44Å; L195-M211 HydrophobicContact CD2-SD 4.03Å; N207-M211 WeakPolarHBondContact O-CG 3.37Å; N207-M211 PolarHBondContact O-N 3.47Å; N207-M211 VanDerWaalsContact O-N 3.08Å; L208-M211 PolarHBondContact O-N 2.67Å; M211-K213 VanDerWaalsContact C-N 3.27Å; M211-K213 PolarHBondContact O-N 3.2Å; M211-C214 PolarHBondContact O-N 3.1Å; M211-A215 WeakPolarHBondContact O-CB 3.49Å; M211-A215 PolarHBondContact O-N 2.86Å
212	M	97.5	Very high	97.1	Very high	27 Å²	27	62.7 Å²	62.7	13%	0.133	36%	0.356	C	S	.	.	H	α-helix	trans	-64.7	-23.7	177.2	-78.8	-72.6	-64.3	0	0	114.4	L103 K106 F107 I110 L135 L208 E210	L103-M212 HydrophobicContact CB-CE 4.12Å; L103-M212 HydrophobicContact CD2-CE 3.78Å; L103-M212 WeakPolarHBondContact O-CE 3.42Å; K106-M212 HydrophobicContact CB-CE 3.93Å; K106-M212 HydrophobicContact CB-SD 3.73Å; K106-M212 WeakPolarHBondContact CD-O 3.11Å; K106-M212 PolarHBondContact NZ-O 2.69Å; F107-M212 HydrophobicContact CB-SD 3.74Å; F107-M212 HydrophobicContact CG-SD 4.39Å; I110-M212 HydrophobicContact CD1-CB 4.49Å; I110-M212 HydrophobicContact CD1-CG 3.78Å; I110-M212 HydrophobicContact CD1-SD 3.77Å; L135-M212 HydrophobicContact CD1-CE 4.1Å; L208-M212 HydrophobicContact CD1-CG 3.92Å; L208-M212 HydrophobicContact CG-CG 4.13Å; L208-M212 VanDerWaalsContact O-CB 3.28Å; L208-M212 WeakPolarHBondContact O-CB 3.33Å; L208-M212 WeakPolarHBondContact O-CG 3.41Å; L208-M212 PolarHBondContact O-N 2.76Å; E210-M212 VanDerWaalsContact C-N 3.26Å; E210-M212 PolarHBondContact O-N 2.9Å
213	K	96.3	Very high	97.2	Very high	134 Å²	134	64.1 Å²	64.1	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-67.5	-46.2	174.6	-62.9	172.8	-167.3	171.3	0	110.4	K106 E210 M211	K106-K213 PolarHBondContact NZ-O 2.94Å; E210-K213 WeakPolarHBondContact O-CB 3.46Å; E210-K213 PolarHBondContact O-N 3.45Å; E210-K213 VanDerWaalsContact O-N 3.08Å; E210-K213 WeakPolarHBondContact OE1-CE 3.41Å; E210-K213 IonicContact OE1-NZ 2.75Å; E210-K213 PolarHBondContact OE1-NZ 3.21Å; E210-K213 WeakPolarHBondContact OE2-CE 3.43Å; E210-K213 IonicContact OE2-NZ 3.41Å; E210-K213 PolarHBondContact OE2-NZ 2.72Å; M211-K213 VanDerWaalsContact C-N 3.27Å; M211-K213 PolarHBondContact O-N 3.2Å
214	C	94.8	Very high	97.2	Very high	120 Å²	120	55.1 Å²	55.1	81%	0.811	32%	0.323	S	S	*	.	H	α-helix	trans	-89.7	-22.5	-173.6	-59.3	0	0	0	0	114.3	M211	M211-C214 PolarHBondContact O-N 3.1Å
215	A	97.1	Very high	97.3	Very high	17 Å²	17	56.3 Å²	56.3	14%	0.14	31%	0.311	C	S	.	.			trans	-60.8	137	-179	0	0	0	0	0	112.6	K106 I110 M211	K106-A215 HydrophobicContact CB-CB 3.97Å; K106-A215 VanDerWaalsContact CD-O 3.29Å; K106-A215 WeakPolarHBondContact CD-O 3.29Å; K106-A215 WeakPolarHBondContact CE-O 3.38Å; K106-A215 HydrophobicContact CG-CB 4.37Å; K106-A215 WeakPolarHBondContact CG-O 3.29Å; K106-A215 PolarHBondContact NZ-O 3.3Å; I110-A215 HydrophobicContact CD1-CB 3.97Å; I110-A215 HydrophobicContact CG1-CB 3.94Å; M211-A215 WeakPolarHBondContact O-CB 3.49Å; M211-A215 PolarHBondContact O-N 2.86Å
216	S	97.1	Very high	97.2	Very high	68 Å²	68	57.6 Å²	57.6	48%	0.476	32%	0.318	S	S	.	.			trans	-66.2	143.2	169.9	176.8	0	0	0	0	110.4	K106 N109 S218	K106-S216 WeakPolarHBondContact CA-O 3.23Å; N109-S216 PolarHBondContact ND2-O 2.91Å; S216-S218 PolarHBondContact OG-N 2.86Å; S216-S218 VanDerWaalsContact OG-N 3.16Å
217	D	95.9	Very high	97.1	Very high	59 Å²	59	61 Å²	61	32%	0.316	33%	0.331	S	S	.	.	S	Bend	trans	-94.9	7	171.8	88.2	-45.5	0	0	0	113.3	S102 R105 K106 H219	S102-D217 WeakPolarHBondContact CB-OD2 3.25Å; S102-D217 WeakPolarHBondContact OG-CB 3.2Å; S102-D217 VanDerWaalsContact OG-CG 3.22Å; S102-D217 PolarHBondContact OG-OD2 3.38Å; R105-D217 HydrophobicContact CB-CB 4.46Å; R105-D217 WeakPolarHBondContact CB-O 3.13Å; R105-D217 VanDerWaalsContact CD-O 3.23Å; R105-D217 WeakPolarHBondContact CD-O 3.18Å; R105-D217 IonicContact CZ-OD2 3.98Å; R105-D217 PolarHBondContact NE-O 2.81Å; R105-D217 IonicContact NH2-OD2 3.94Å; R105-D217 PolarHBondContact NH2-OD2 2.65Å; K106-D217 HydrophobicContact CG-CB 3.67Å; D217-H219 PolarHBondContact O-N 3.31Å
218	S	96.3	Very high	97.1	Very high	91 Å²	91	62.9 Å²	62.9	64%	0.636	34%	0.339	S	S	*	.			trans	-81.6	106.9	168.9	-172.7	0	0	0	0	109.7	N109 S216	N109-S218 PolarHBondContact ND2-O 3.4Å; S216-S218 PolarHBondContact OG-N 2.86Å; S216-S218 VanDerWaalsContact OG-N 3.16Å
219	H	97.5	Very high	97.1	Very high	29 Å²	29	64.6 Å²	64.6	13%	0.134	35%	0.348	C	S	.	.			trans	-142.1	127.8	178.1	172.5	-73.4	0	0	0	110.3	R105 A108 N109 R142 D217 C221	R105-H219 HydrophobicContact CB-CB 3.81Å; R105-H219 HydrophobicContact CG-CB 3.98Å; A108-H219 WeakPolarHBondContact CB-CD2 3.37Å; N109-H219 WeakPolarHBondContact OD1-CB 3.43Å; N109-H219 PolarHBondContact OD1-CD2 2.91Å; R142-H219 PolarHBondContact O-CE1 3.25Å; D217-H219 PolarHBondContact O-N 3.31Å; H219-C221 PolarHBondContact ND1-N 3.24Å; H219-C221 PolarHBondContact O-N 2.95Å
220	T	97.2	Very high	97.2	Very high	130 Å²	130	62.1 Å²	62.1	80%	0.798	34%	0.337	S	S	*	.			trans	-83.7	108	174.8	-62.4	0	0	0	0	110.7	V222	T220-V222 PolarHBondContact O-N 2.77Å
221	C	98.1	Very high	97.2	Very high	17 Å²	17	58.5 Å²	58.5	12%	0.115	32%	0.321	C	S	.	.			trans	-57.9	129.7	178.3	-168.7	0	0	0	0	112.2	N59 K62 H219	N59-C221 VanDerWaalsContact CG-SG 3.56Å; N59-C221 PolarHBondContact OD1-SG 3.08Å; N59-C221 VanDerWaalsContact OD1-SG 3.41Å; K62-C221 HydrophobicContact CB-CB 4.17Å; K62-C221 HydrophobicContact CD-CB 4.46Å; H219-C221 PolarHBondContact ND1-N 3.24Å; H219-C221 PolarHBondContact O-N 2.95Å
222	V	98.1	Very high	97.2	Very high	37 Å²	37	56.4 Å²	56.4	22%	0.224	31%	0.311	C	S	.	.			trans	-63.1	136.6	-178.5	174.4	0	0	0	0	111.2	R119 R142 T143 T220 T224	R119-V222 HydrophobicContact CG-CG1 4.3Å; R142-V222 WeakPolarHBondContact O-CG2 3.28Å; R142-V222 PolarHBondContact O-N 3.2Å; T143-V222 WeakPolarHBondContact O-CG2 3.45Å; T220-V222 PolarHBondContact O-N 2.77Å; V222-T224 VanDerWaalsContact C-N 3.31Å; V222-T224 HydrophobicContact CB-CG2 4.4Å; V222-T224 HydrophobicContact CG1-CG2 3.95Å; V222-T224 PolarHBondContact O-N 2.85Å
223	K	97.9	Very high	97.1	Very high	120 Å²	120	55.4 Å²	55.4	52%	0.522	31%	0.306	S	S	.	.			trans	-79.6	77.4	176.7	-163	-169	179.8	-164	0	110.4	Y57 R119	Y57-K223 HydrophobicContact CD1-CD 3.99Å; Y57-K223 HydrophobicContact CD1-CG 3.67Å; Y57-K223 VanDerWaalsContact CD2-CE 3.41Å; Y57-K223 HydrophobicContact CE1-CD 3.97Å; Y57-K223 HydrophobicContact CE1-CG 4.07Å; Y57-K223 VanDerWaalsContact CE2-CE 3.5Å; Y57-K223 HydrophobicContact CG-CD 4.25Å; Y57-K223 VanDerWaalsContact CG-CE 3.5Å; Y57-K223 HydrophobicContact CG-CG 4.03Å; R119-K223 PolarHBondContact NH2-O 2.88Å
224	T	98.1	Very high	96.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	28%	0.284	C	S	.	.			trans	-74.1	134.1	178.9	48.8	0	0	0	0	111.8	Y57 F58 N59 V222 H249	Y57-T224 WeakPolarHBondContact CA-O 3.33Å; F58-T224 PolarHBondContact N-O 3.26Å; F58-T224 PolarHBondContact O-OG1 2.62Å; N59-T224 WeakPolarHBondContact CB-OG1 3.5Å; N59-T224 PolarHBondContact ND2-OG1 2.88Å; V222-T224 VanDerWaalsContact C-N 3.31Å; V222-T224 HydrophobicContact CB-CG2 4.4Å; V222-T224 HydrophobicContact CG1-CG2 3.95Å; V222-T224 PolarHBondContact O-N 2.85Å; T224-H249 WeakPolarHBondContact CB-NE2 3.26Å; T224-H249 WeakPolarHBondContact CG2-NE2 3.48Å
225	K	97.9	Very high	95.7	Very high	85 Å²	85	45.4 Å²	45.4	37%	0.37	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-68.9	149	165.9	-68.1	-170.5	170.6	-166.7	0	109.5	E56 Y57 N227 E228	E56-K225 WeakPolarHBondContact O-CA 3.35Å; E56-K225 IonicContact OE1-NZ 3.19Å; Y57-K225 HydrophobicContact CD1-CG 3.94Å; Y57-K225 HydrophobicContact CE1-CG 3.78Å; K225-N227 WeakPolarHBondContact CB-OD1 3.48Å; K225-N227 PolarHBondContact O-N 2.63Å; K225-N227 VanDerWaalsContact O-N 3.11Å; K225-E228 WeakPolarHBondContact CA-OE1 3.45Å; K225-E228 HydrophobicContact CB-CG 4.22Å; K225-E228 WeakPolarHBondContact CB-OE1 3.46Å; K225-E228 WeakPolarHBondContact CG-OE1 3.34Å; K225-E228 PolarHBondContact N-OE1 3.09Å; K225-E228 PolarHBondContact O-N 3.07Å; K225-E228 VanDerWaalsContact O-N 3.17Å
226	H	96.1	Very high	94	Very high	49 Å²	49	48.4 Å²	48.4	23%	0.227	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.4	-178.9	71.7	-87.3	0	0	0	113.7	I54 P55 E56 F58 T248 H249 S250	I54-H226 HydrophobicContact CG2-CB 3.78Å; I54-H226 VanDerWaalsContact CG2-CD2 3.44Å; I54-H226 WeakPolarHBondContact CG2-CD2 3.36Å; P55-H226 WeakPolarHBondContact O-CB 3.46Å; P55-H226 PolarHBondContact O-ND1 2.98Å; E56-H226 PolarHBondContact O-N 3.35Å; E56-H226 PolarHBondContact O-ND1 2.83Å; F58-H226 HydrophobicContact CB-CB 4.16Å; H226-T248 WeakPolarHBondContact O-CB 3.44Å; H226-T248 PolarHBondContact O-OG1 3.07Å; H226-H249 PolarHBondContact O-N 3.22Å; H226-S250 WeakPolarHBondContact O-CB 3.35Å; H226-S250 PolarHBondContact O-N 3.26Å; H226-S250 PolarHBondContact O-OG 3.41Å
227	N	96.3	Very high	91.7	Very high	94 Å²	94	46.1 Å²	46.1	50%	0.503	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.4	-177.7	67.6	-22.7	0	0	0	114.6	K225 T248	K225-N227 WeakPolarHBondContact CB-OD1 3.48Å; K225-N227 PolarHBondContact O-N 2.63Å; K225-N227 VanDerWaalsContact O-N 3.11Å; N227-T248 VanDerWaalsContact O-CG2 3.24Å; N227-T248 WeakPolarHBondContact O-CG2 3.45Å
228	E	97.9	Very high	89.3	Confident	50 Å²	50	46.1 Å²	46.1	23%	0.234	26%	0.26	C	S	.	.	S	Bend	trans	-71.3	145	170.9	-77.1	166	-123.3	0	0	110.9	R119 K225 M230 T248 H249	R119-E228 IonicContact CZ-OE1 2.7Å; R119-E228 IonicContact CZ-OE2 2.82Å; R119-E228 IonicContact NE-OE2 2.81Å; R119-E228 PolarHBondContact NE-OE2 2.88Å; R119-E228 IonicContact NH2-OE1 3.36Å; R119-E228 PolarHBondContact NH2-OE1 2.78Å; R119-E228 IonicContact NH2-OE2 3.23Å; R119-E228 PolarHBondContact NH2-OE2 3Å; K225-E228 WeakPolarHBondContact CA-OE1 3.45Å; K225-E228 HydrophobicContact CB-CG 4.22Å; K225-E228 WeakPolarHBondContact CB-OE1 3.46Å; K225-E228 WeakPolarHBondContact CG-OE1 3.34Å; K225-E228 PolarHBondContact N-OE1 3.09Å; K225-E228 PolarHBondContact O-N 3.07Å; K225-E228 VanDerWaalsContact O-N 3.17Å; E228-M230 PolarHBondContact O-N 3.24Å; E228-T248 CarbonylContact O-C 3.6Å; E228-T248 WeakPolarHBondContact O-CA 3.47Å; E228-T248 WeakPolarHBondContact O-CB 3.23Å; E228-H249 PolarHBondContact O-CD2 3.46Å; E228-H249 PolarHBondContact O-N 2.82Å
229	I	98.3	Very high	86.9	Confident	37 Å²	37	45.6 Å²	45.6	19%	0.19	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.1	177.2	-51.4	-50.7	0	0	0	109.2	V146 M232 A246 H247 T248 A439	V146-I229 HydrophobicContact CG1-CG2 3.88Å; V146-I229 HydrophobicContact CG2-CB 4.25Å; V146-I229 HydrophobicContact CG2-CG2 4.15Å; I229-M232 HydrophobicContact CG2-CE 3.96Å; I229-M232 HydrophobicContact CG2-CG 4.13Å; I229-A246 HydrophobicContact CD1-CB 3.88Å; I229-A246 HydrophobicContact CG1-CB 4.34Å; I229-A246 HydrophobicContact CG2-CB 4.1Å; I229-H247 CarbonylContact C-O 3.33Å; I229-H247 WeakPolarHBondContact CA-O 3.09Å; I229-T248 HydrophobicContact CD1-CG2 4.14Å; I229-A439 HydrophobicContact CD1-CB 3.81Å
230	M	97.6	Very high	84.9	Confident	7 Å²	7	46.4 Å²	46.4	3%	0.034	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-26.5	175.2	71.7	172.4	-139.2	0	0	112.6	L141 L147 E228 H247 F252 F289	L141-M230 HydrophobicContact CD2-CB 4.17Å; L141-M230 HydrophobicContact CD2-SD 3.94Å; L147-M230 PolarHBondContact N-O 2.88Å; L147-M230 VanDerWaalsContact N-O 3.07Å; E228-M230 PolarHBondContact O-N 3.24Å; M230-H247 PolarHBondContact N-O 3.26Å; M230-F252 HydrophobicContact CE-CB 3.38Å; M230-F252 HydrophobicContact CE-CD2 4.26Å; M230-F252 HydrophobicContact CE-CG 4.34Å; M230-F252 HydrophobicContact SD-CB 4.39Å; M230-F289 HydrophobicContact CE-CD2 4.4Å; M230-F289 HydrophobicContact CE-CE1 3.8Å; M230-F289 HydrophobicContact CE-CE2 3.55Å; M230-F289 HydrophobicContact CE-CZ 3.21Å; M230-F289 HydrophobicContact SD-CZ 4.34Å
231	A	98.2	Very high	83.2	Confident	6 Å²	6	48.4 Å²	48.4	5%	0.05	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	150.2	-176	0	0	0	0	0	111.8	L147 F233 H247	L147-A231 CarbonylContact O-C 3.51Å; L147-A231 WeakPolarHBondContact O-CA 3Å; A231-F233 HydrophobicContact CB-CE2 4.01Å; A231-H247 PolarHBondContact N-O 3.09Å; A231-H247 PolarHBondContact O-N 2.65Å
232	M	98.2	Very high	81.9	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.8	167.9	-61	179.2	179.4	0	0	110.5	V146 L147 I148 I229 M244 T245 A246 A442	V146-M232 HydrophobicContact CG1-CB 4.48Å; V146-M232 HydrophobicContact CG1-CE 4.25Å; V146-M232 HydrophobicContact CG1-CG 3.77Å; V146-M232 HydrophobicContact CG1-SD 4.25Å; L147-M232 PolarHBondContact O-N 2.8Å; I148-M232 WeakPolarHBondContact CA-O 3.21Å; I148-M232 HydrophobicContact CD1-CB 4.3Å; I148-M232 HydrophobicContact CD1-SD 4.35Å; I148-M232 HydrophobicContact CG1-CB 4.14Å; I229-M232 HydrophobicContact CG2-CE 3.96Å; I229-M232 HydrophobicContact CG2-CG 4.13Å; M232-M244 HydrophobicContact SD-SD 4.28Å; M232-T245 VanDerWaalsContact CA-O 3.31Å; M232-T245 WeakPolarHBondContact CA-O 3.23Å; M232-A246 HydrophobicContact CE-CB 4.17Å; M232-A246 HydrophobicContact CG-CB 4.12Å; M232-A442 HydrophobicContact CE-CB 3.83Å; M232-A442 HydrophobicContact SD-CB 3.92Å
233	F	94.1	Very high	81.1	Confident	7 Å²	7	49.2 Å²	49.2	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.8	175.3	-68.5	-90.7	0	0	0	110.3	P149 A231 T235 K243 M244 T245 F252 A281 A284 T379	P149-F233 HydrophobicContact CB-CD1 4.48Å; P149-F233 HydrophobicContact CB-CE1 3.98Å; P149-F233 HydrophobicContact CG-CD1 4.34Å; P149-F233 HydrophobicContact CG-CE1 3.59Å; P149-F233 HydrophobicContact CG-CZ 3.95Å; A231-F233 HydrophobicContact CB-CE2 4.01Å; F233-T235 PolarHBondContact O-N 2.92Å; F233-K243 VanDerWaalsContact O-O 3.09Å; F233-M244 CarbonylContact O-C 3.48Å; F233-M244 WeakPolarHBondContact O-CA 3.42Å; F233-T245 PolarHBondContact N-O 3.46Å; F233-T245 VanDerWaalsContact N-O 3.14Å; F233-T245 PolarHBondContact O-N 3.32Å; F233-T245 PolarHBondContact O-OG1 3.46Å; F233-F252 HydrophobicContact CD2-CE2 4.2Å; F233-F252 HydrophobicContact CE2-CD2 4.24Å; F233-F252 AromaticContact CE2-CE2 3.63Å; F233-F252 HydrophobicContact CE2-CE2 3.63Å; F233-F252 HydrophobicContact CZ-CE2 4.36Å; F233-A281 HydrophobicContact CD1-CB 3.98Å; F233-A281 HydrophobicContact CD2-CB 4.25Å; F233-A281 HydrophobicContact CE1-CB 4.15Å; F233-A281 HydrophobicContact CE2-CB 4.44Å; F233-A281 HydrophobicContact CG-CB 4.03Å; F233-A281 HydrophobicContact CZ-CB 4.39Å; F233-A284 HydrophobicContact CE2-CB 4.48Å; F233-A284 HydrophobicContact CZ-CB 3.83Å; F233-T379 HydrophobicContact CB-CG2 3.51Å; F233-T379 HydrophobicContact CG-CG2 4.14Å
234	F	85.1	Confident	80.9	Confident	29 Å²	29	44.1 Å²	44.1	13%	0.127	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	108.2	172.9	-81.7	-85.6	0	0	0	110.4	I148 Y161 R162 P242 K243 M244	I148-F234 HydrophobicContact CG2-CD2 3.87Å; I148-F234 HydrophobicContact CG2-CE2 3.78Å; Y161-F234 HydrophobicContact CD1-CE1 4.46Å; Y161-F234 HydrophobicContact CE1-CD1 4.18Å; Y161-F234 AromaticContact CE1-CE1 3.84Å; Y161-F234 HydrophobicContact CE1-CE1 3.84Å; R162-F234 HydrophobicContact CB-CD2 4.32Å; R162-F234 HydrophobicContact CB-CE2 3.76Å; R162-F234 HydrophobicContact CB-CZ 3.93Å; R162-F234 HydrophobicContact CG-CD1 4.16Å; R162-F234 HydrophobicContact CG-CD2 3.73Å; R162-F234 HydrophobicContact CG-CE1 4.05Å; R162-F234 HydrophobicContact CG-CE2 3.61Å; R162-F234 HydrophobicContact CG-CG 3.99Å; R162-F234 HydrophobicContact CG-CZ 3.77Å; F234-P242 HydrophobicContact CB-CB 4.11Å; F234-P242 HydrophobicContact CD1-CB 3.97Å; F234-K243 CarbonylContact C-O 3.58Å; F234-K243 WeakPolarHBondContact CA-O 3.3Å; F234-M244 HydrophobicContact CD1-CG 3.78Å; F234-M244 HydrophobicContact CD2-CG 4.29Å; F234-M244 HydrophobicContact CE1-CG 3.33Å; F234-M244 HydrophobicContact CE1-SD 4.01Å; F234-M244 HydrophobicContact CE2-CG 3.88Å; F234-M244 HydrophobicContact CE2-SD 4.07Å; F234-M244 HydrophobicContact CG-CG 4.25Å; F234-M244 HydrophobicContact CZ-CG 3.39Å; F234-M244 HydrophobicContact CZ-SD 3.52Å; F234-M244 VanDerWaalsContact CZ-SD 3.52Å
235	T	75.9	Confident	80.7	Confident	15 Å²	15	44 Å²	44	9%	0.092	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139.9	176.9	60.9	0	0	0	0	111.6	F233 G237 P242 K243 T245 T379	F233-T235 PolarHBondContact O-N 2.92Å; T235-G237 PolarHBondContact O-N 3.41Å; T235-P242 CarbonylContact O-C 3.31Å; T235-P242 WeakPolarHBondContact O-CA 3.24Å; T235-P242 VanDerWaalsContact O-CB 3.22Å; T235-P242 WeakPolarHBondContact O-CB 3.26Å; T235-K243 PolarHBondContact N-O 2.57Å; T235-K243 PolarHBondContact O-N 3.21Å; T235-K243 PolarHBondContact OG1-O 2.88Å; T235-T245 HydrophobicContact CG2-CG2 3.52Å; T235-T379 HydrophobicContact CG2-CG2 3.59Å; T235-T379 WeakPolarHBondContact CG2-OG1 3.43Å
236	S	63.2	Low	80.8	Confident	79 Å²	79	40 Å²	40	55%	0.552	23%	0.227	S	C	*	.			trans	-66.3	103.8	171.8	52.9	0	0	0	0	110.1	T238	S236-T238 PolarHBondContact O-N 3.23Å
237	G	48.7	Very low	80.9	Confident	21 Å²	21	37.7 Å²	37.7	22%	0.216	22%	0.217	C	C	.	.			trans	-65.7	126	173.3	0	0	0	0	0	110.4	T235 S239	T235-G237 PolarHBondContact O-N 3.41Å; G237-S239 PolarHBondContact O-N 3.1Å
238	T	44.7	Very low	80.9	Confident	59 Å²	59	33.8 Å²	33.8	36%	0.362	20%	0.196	S	C	.	.	S	Bend	trans	-64.1	-31.5	176	52.6	0	0	0	0	111.8	S236 D478 N576	S236-T238 PolarHBondContact O-N 3.23Å; T238-D478 WeakPolarHBondContact CB-OD2 3.36Å; T238-D478 WeakPolarHBondContact CG2-OD2 3.26Å; T238-D478 PolarHBondContact OG1-OD2 2.79Å; T238-N576 VanDerWaalsContact O-CB 3.3Å; T238-N576 WeakPolarHBondContact O-CB 3.33Å; T238-N576 PolarHBondContact O-ND2 2.57Å
239	S	46.1	Very low	80.9	Confident	79 Å²	79	31.5 Å²	31.5	55%	0.552	19%	0.186	S	C	*	.	S	Bend	trans	-106.3	-10.4	-176.2	57.2	0	0	0	0	116.7	G237	G237-S239 PolarHBondContact O-N 3.1Å
240	G	56.3	Low	80.7	Confident	46 Å²	46	30.1 Å²	30.1	47%	0.474	18%	0.179	S	C	.	.	S	Bend	trans	-167.4	-162.5	-172.6	0	0	0	0	0	114.3
241	Y	60.7	Low	80.6	Confident	173 Å²	173	29.9 Å²	29.9	68%	0.678	18%	0.178	S	C	*	.	S	Bend	trans	-59.2	154.7	-179.6	-77	-78.1	0	0	0	113.2	Y161	Y161-Y241 AromaticContact CD2-CD1 3.99Å; Y161-Y241 HydrophobicContact CD2-CD1 3.99Å; Y161-Y241 HydrophobicContact CD2-CE1 4.37Å; Y161-Y241 HydrophobicContact CD2-CG 4.46Å; Y161-Y241 AromaticContact CE2-CD1 3.92Å; Y161-Y241 HydrophobicContact CE2-CD1 3.92Å; Y161-Y241 AromaticContact CE2-CG 3.95Å; Y161-Y241 HydrophobicContact CE2-CG 3.95Å; Y161-Y241 HydrophobicContact CG-CD1 4.35Å
242	P	71.2	Confident	80.4	Confident	25 Å²	25	29.6 Å²	29.6	16%	0.162	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-61.7	136.8	-178	-26.4	36.6	0	0	0	114.6	Y161 F234 T235	Y161-P242 HydrophobicContact CE1-CB 4.31Å; Y161-P242 HydrophobicContact CE1-CG 4.4Å; Y161-P242 PolarHBondContact OH-O 3.26Å; F234-P242 HydrophobicContact CB-CB 4.11Å; F234-P242 HydrophobicContact CD1-CB 3.97Å; T235-P242 CarbonylContact O-C 3.31Å; T235-P242 WeakPolarHBondContact O-CA 3.24Å; T235-P242 VanDerWaalsContact O-CB 3.22Å; T235-P242 WeakPolarHBondContact O-CB 3.26Å
243	K	81.5	Confident	80.1	Confident	46 Å²	46	29.3 Å²	29.3	20%	0.2	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.8	-173.8	-67.4	157.7	175.8	165.4	0	111.8	F233 F234 T235 T245 Y441 K447	F233-K243 VanDerWaalsContact O-O 3.09Å; F234-K243 CarbonylContact C-O 3.58Å; F234-K243 WeakPolarHBondContact CA-O 3.3Å; T235-K243 PolarHBondContact N-O 2.57Å; T235-K243 PolarHBondContact O-N 3.21Å; T235-K243 PolarHBondContact OG1-O 2.88Å; K243-T245 PolarHBondContact O-N 3.03Å; K243-Y441 HydrophobicContact CB-CD1 3.79Å; K243-Y441 HydrophobicContact CB-CE1 4.11Å; K243-Y441 HydrophobicContact CD-CE1 4.5Å; K243-K447 HydrophobicContact CD-CG 4.12Å
244	M	92.5	Very high	80.1	Confident	12 Å²	12	30 Å²	30	6%	0.059	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	105.9	-179.6	-67.1	-174.1	-69.5	0	0	111.7	S165 S166 M232 F233 F234 Y441 A442	S165-M244 WeakPolarHBondContact O-CE 3.43Å; S166-M244 VanDerWaalsContact CA-SD 3.55Å; S166-M244 VanDerWaalsContact CB-SD 3.52Å; M232-M244 HydrophobicContact SD-SD 4.28Å; F233-M244 CarbonylContact O-C 3.48Å; F233-M244 WeakPolarHBondContact O-CA 3.42Å; F234-M244 HydrophobicContact CD1-CG 3.78Å; F234-M244 HydrophobicContact CD2-CG 4.29Å; F234-M244 HydrophobicContact CE1-CG 3.33Å; F234-M244 HydrophobicContact CE1-SD 4.01Å; F234-M244 HydrophobicContact CE2-CG 3.88Å; F234-M244 HydrophobicContact CE2-SD 4.07Å; F234-M244 HydrophobicContact CG-CG 4.25Å; F234-M244 HydrophobicContact CZ-CG 3.39Å; F234-M244 HydrophobicContact CZ-SD 3.52Å; F234-M244 VanDerWaalsContact CZ-SD 3.52Å; M244-Y441 CarbonylContact O-C 3.52Å; M244-Y441 VanDerWaalsContact O-CA 3.24Å; M244-Y441 WeakPolarHBondContact O-CA 3.35Å; M244-A442 HydrophobicContact CB-CB 3.95Å; M244-A442 HydrophobicContact CE-CB 4.06Å; M244-A442 PolarHBondContact O-N 3.08Å
245	T	95.4	Very high	80.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.5	172.5	53.8	0	0	0	0	110.5	M232 F233 T235 K243 T379 E380 F438 Y441	M232-T245 VanDerWaalsContact CA-O 3.31Å; M232-T245 WeakPolarHBondContact CA-O 3.23Å; F233-T245 PolarHBondContact N-O 3.46Å; F233-T245 VanDerWaalsContact N-O 3.14Å; F233-T245 PolarHBondContact O-N 3.32Å; F233-T245 PolarHBondContact O-OG1 3.46Å; T235-T245 HydrophobicContact CG2-CG2 3.52Å; K243-T245 PolarHBondContact O-N 3.03Å; T245-T379 WeakPolarHBondContact OG1-CG2 3.46Å; T245-E380 HydrophobicContact CG2-CG 3.63Å; T245-F438 HydrophobicContact CG2-CD2 4.08Å; T245-F438 HydrophobicContact CG2-CE2 4.31Å; T245-Y441 HydrophobicContact CG2-CD1 3.75Å; T245-Y441 HydrophobicContact CG2-CE1 3.42Å; T245-Y441 VanDerWaalsContact CG2-CE1 3.42Å
246	A	98.1	Very high	81.4	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.7	-177.3	0	0	0	0	0	112.1	I229 M232 A439 H440 A442	I229-A246 HydrophobicContact CD1-CB 3.88Å; I229-A246 HydrophobicContact CG1-CB 4.34Å; I229-A246 HydrophobicContact CG2-CB 4.1Å; M232-A246 HydrophobicContact CE-CB 4.17Å; M232-A246 HydrophobicContact CG-CB 4.12Å; A246-A439 WeakPolarHBondContact O-CB 3.44Å; A246-A439 PolarHBondContact O-N 3.27Å; A246-H440 PolarHBondContact N-O 2.69Å; A246-A442 HydrophobicContact CB-CB 4.46Å
247	H	98.3	Very high	82.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.6	178.7	-75.2	-81	0	0	0	112.1	I229 M230 A231 S251 F252 T379 E380 T381 F438	I229-H247 CarbonylContact C-O 3.33Å; I229-H247 WeakPolarHBondContact CA-O 3.09Å; M230-H247 PolarHBondContact N-O 3.26Å; A231-H247 PolarHBondContact N-O 3.09Å; A231-H247 PolarHBondContact O-N 2.65Å; H247-S251 WeakPolarHBondContact CA-OG 3.45Å; H247-S251 WeakPolarHBondContact CE1-CB 3.34Å; H247-S251 PolarHBondContact CE1-OG 3.27Å; H247-S251 PolarHBondContact ND1-OG 2.9Å; H247-F252 HydrophobicContact CB-CB 4.33Å; H247-F252 HydrophobicContact CB-CD1 4.33Å; H247-F252 HydrophobicContact CB-CD2 4.14Å; H247-F252 HydrophobicContact CB-CG 4.01Å; H247-F252 AromaticContact CD2-CE2 3.97Å; H247-F252 AromaticContact CD2-CZ 3.78Å; H247-F252 AromaticContact CE1-CD1 3.07Å; H247-F252 WeakPolarHBondContact CE1-CD1 3.47Å; H247-F252 AromaticContact CE1-CE1 3.41Å; H247-F252 VanDerWaalsContact CE1-CE1 3.41Å; H247-F252 WeakPolarHBondContact CE1-CE1 3.32Å; H247-F252 AromaticContact CE1-CG 3.72Å; H247-F252 AromaticContact CG-CD1 3.74Å; H247-F252 AromaticContact CG-CD2 3.97Å; H247-F252 AromaticContact CG-CE1 3.78Å; H247-F252 AromaticContact CG-CG 3.85Å; H247-F252 AromaticContact CG-CZ 3.9Å; H247-F252 AromaticContact ND1-CD1 3.24Å; H247-F252 WeakPolarHBondContact ND1-CD1 3.28Å; H247-F252 AromaticContact ND1-CE1 3.24Å; H247-F252 WeakPolarHBondContact ND1-CE1 3.26Å; H247-F252 AromaticContact ND1-CG 3.81Å; H247-F252 AromaticContact ND1-CZ 3.8Å; H247-F252 AromaticContact NE2-CD1 3.91Å; H247-F252 AromaticContact NE2-CE1 3.26Å; H247-F252 VanDerWaalsContact NE2-CE1 3.26Å; H247-F252 WeakPolarHBondContact NE2-CE1 3.29Å; H247-F252 AromaticContact NE2-CZ 3.89Å; H247-T379 PolarHBondContact NE2-O 3.43Å; H247-E380 PolarHBondContact NE2-O 2.91Å; H247-T381 PolarHBondContact NE2-N 2.98Å; H247-T381 VanDerWaalsContact NE2-N 3.15Å; H247-F438 VanDerWaalsContact NE2-CB 3.31Å; H247-F438 WeakPolarHBondContact NE2-CB 3.44Å; H247-F438 PolarHBondContact NE2-N 2.83Å
248	T	98	Very high	85	Confident	13 Å²	13	23.9 Å²	23.9	8%	0.08	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	163.1	175.9	74.1	0	0	0	0	113.2	H226 N227 E228 I229 S250 S251 F252 A439	H226-T248 WeakPolarHBondContact O-CB 3.44Å; H226-T248 PolarHBondContact O-OG1 3.07Å; N227-T248 VanDerWaalsContact O-CG2 3.24Å; N227-T248 WeakPolarHBondContact O-CG2 3.45Å; E228-T248 CarbonylContact O-C 3.6Å; E228-T248 WeakPolarHBondContact O-CA 3.47Å; E228-T248 WeakPolarHBondContact O-CB 3.23Å; I229-T248 HydrophobicContact CD1-CG2 4.14Å; T248-S250 PolarHBondContact O-N 2.87Å; T248-S250 PolarHBondContact OG1-N 3.03Å; T248-S250 PolarHBondContact OG1-OG 2.95Å; T248-S251 PolarHBondContact N-OG 2.68Å; T248-S251 PolarHBondContact O-N 2.94Å; T248-S251 VanDerWaalsContact O-N 3.08Å; T248-S251 PolarHBondContact O-OG 2.71Å; T248-S251 WeakPolarHBondContact OG1-CB 3.29Å; T248-S251 PolarHBondContact OG1-N 3.36Å; T248-S251 PolarHBondContact OG1-OG 3.03Å; T248-F252 PolarHBondContact O-N 3.23Å; T248-A439 HydrophobicContact CG2-CB 4.02Å
249	H	97.4	Very high	87.4	Confident	2 Å²	2	21 Å²	21	1%	0.009	12%	0.119	C	C	.	.	I	π-helix	trans	-48.7	-40.9	169.9	-78.2	-82.1	0	0	0	113.2	F58 T224 H226 E228 G253 L254	F58-H249 HydrophobicContact CD1-CB 4.18Å; F58-H249 WeakPolarHBondContact CD1-O 3.31Å; F58-H249 WeakPolarHBondContact CE1-O 3.38Å; F58-H249 WeakPolarHBondContact O-CB 3.35Å; T224-H249 WeakPolarHBondContact CB-NE2 3.26Å; T224-H249 WeakPolarHBondContact CG2-NE2 3.48Å; H226-H249 PolarHBondContact O-N 3.22Å; E228-H249 PolarHBondContact O-CD2 3.46Å; E228-H249 PolarHBondContact O-N 2.82Å; H249-G253 WeakPolarHBondContact O-CA 3.39Å; H249-G253 PolarHBondContact O-N 3.35Å; H249-G253 VanDerWaalsContact O-N 3.1Å; H249-L254 PolarHBondContact O-N 3.1Å
250	S	94.4	Very high	89.8	Confident	8 Å²	8	17.3 Å²	17.3	6%	0.056	9%	0.093	C	C	.	.	I	π-helix	trans	-75.4	-44.5	172.6	55.1	0	0	0	0	113.3	H226 T248 F252 L254 G255	H226-S250 WeakPolarHBondContact O-CB 3.35Å; H226-S250 PolarHBondContact O-N 3.26Å; H226-S250 PolarHBondContact O-OG 3.41Å; T248-S250 PolarHBondContact O-N 2.87Å; T248-S250 PolarHBondContact OG1-N 3.03Å; T248-S250 PolarHBondContact OG1-OG 2.95Å; S250-F252 VanDerWaalsContact C-N 3.29Å; S250-F252 PolarHBondContact O-N 3.29Å; S250-L254 CarbonylContact O-C 3.57Å; S250-L254 WeakPolarHBondContact O-CB 3.49Å; S250-L254 PolarHBondContact O-N 3.22Å; S250-L254 VanDerWaalsContact O-N 3.13Å; S250-G255 PolarHBondContact O-N 3.43Å
251	S	95.4	Very high	91.5	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	9%	0.089	C	C	.	.	I	π-helix	trans	-65.9	-29.1	-167.2	71.5	0	0	0	0	114.4	H247 T248 G255 V382 F435 L437	H247-S251 WeakPolarHBondContact CA-OG 3.45Å; H247-S251 WeakPolarHBondContact CE1-CB 3.34Å; H247-S251 PolarHBondContact CE1-OG 3.27Å; H247-S251 PolarHBondContact ND1-OG 2.9Å; T248-S251 PolarHBondContact N-OG 2.68Å; T248-S251 PolarHBondContact O-N 2.94Å; T248-S251 VanDerWaalsContact O-N 3.08Å; T248-S251 PolarHBondContact O-OG 2.71Å; T248-S251 WeakPolarHBondContact OG1-CB 3.29Å; T248-S251 PolarHBondContact OG1-N 3.36Å; T248-S251 PolarHBondContact OG1-OG 3.03Å; S251-G255 WeakPolarHBondContact O-CA 3.18Å; S251-V382 WeakPolarHBondContact O-CG1 3.17Å; S251-F435 WeakPolarHBondContact CA-O 3.44Å; S251-F435 WeakPolarHBondContact CB-O 3.19Å; S251-L437 WeakPolarHBondContact CB-O 3.35Å
252	F	93.4	Very high	93.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-111.7	-46.9	172.3	-97.5	19.5	0	0	0	112	M230 F233 H247 T248 S250 L254 G255 L256 A281 A284 W285 T381 V382	M230-F252 HydrophobicContact CE-CB 3.38Å; M230-F252 HydrophobicContact CE-CD2 4.26Å; M230-F252 HydrophobicContact CE-CG 4.34Å; M230-F252 HydrophobicContact SD-CB 4.39Å; F233-F252 HydrophobicContact CD2-CE2 4.2Å; F233-F252 HydrophobicContact CE2-CD2 4.24Å; F233-F252 AromaticContact CE2-CE2 3.63Å; F233-F252 HydrophobicContact CE2-CE2 3.63Å; F233-F252 HydrophobicContact CZ-CE2 4.36Å; H247-F252 HydrophobicContact CB-CB 4.33Å; H247-F252 HydrophobicContact CB-CD1 4.33Å; H247-F252 HydrophobicContact CB-CD2 4.14Å; H247-F252 HydrophobicContact CB-CG 4.01Å; H247-F252 AromaticContact CD2-CE2 3.97Å; H247-F252 AromaticContact CD2-CZ 3.78Å; H247-F252 AromaticContact CE1-CD1 3.07Å; H247-F252 WeakPolarHBondContact CE1-CD1 3.47Å; H247-F252 AromaticContact CE1-CE1 3.41Å; H247-F252 VanDerWaalsContact CE1-CE1 3.41Å; H247-F252 WeakPolarHBondContact CE1-CE1 3.32Å; H247-F252 AromaticContact CE1-CG 3.72Å; H247-F252 AromaticContact CG-CD1 3.74Å; H247-F252 AromaticContact CG-CD2 3.97Å; H247-F252 AromaticContact CG-CE1 3.78Å; H247-F252 AromaticContact CG-CG 3.85Å; H247-F252 AromaticContact CG-CZ 3.9Å; H247-F252 AromaticContact ND1-CD1 3.24Å; H247-F252 WeakPolarHBondContact ND1-CD1 3.28Å; H247-F252 AromaticContact ND1-CE1 3.24Å; H247-F252 WeakPolarHBondContact ND1-CE1 3.26Å; H247-F252 AromaticContact ND1-CG 3.81Å; H247-F252 AromaticContact ND1-CZ 3.8Å; H247-F252 AromaticContact NE2-CD1 3.91Å; H247-F252 AromaticContact NE2-CE1 3.26Å; H247-F252 VanDerWaalsContact NE2-CE1 3.26Å; H247-F252 WeakPolarHBondContact NE2-CE1 3.29Å; H247-F252 AromaticContact NE2-CZ 3.89Å; T248-F252 PolarHBondContact O-N 3.23Å; S250-F252 VanDerWaalsContact C-N 3.29Å; S250-F252 PolarHBondContact O-N 3.29Å; F252-L254 PolarHBondContact O-N 3.28Å; F252-G255 PolarHBondContact O-N 3.36Å; F252-L256 HydrophobicContact CB-CD1 4.07Å; F252-L256 HydrophobicContact CD1-CD1 4.27Å; F252-L256 HydrophobicContact CD2-CD1 4.16Å; F252-L256 HydrophobicContact CG-CD1 3.92Å; F252-L256 VanDerWaalsContact O-CB 3.32Å; F252-L256 WeakPolarHBondContact O-CB 3.45Å; F252-L256 WeakPolarHBondContact O-CG 3.49Å; F252-L256 PolarHBondContact O-N 2.54Å; F252-A281 HydrophobicContact CE2-CB 4.48Å; F252-A281 HydrophobicContact CZ-CB 4.39Å; F252-A284 HydrophobicContact CD2-CB 4.25Å; F252-A284 HydrophobicContact CE2-CB 4.14Å; F252-W285 AromaticContact CE1-NE1 3.97Å; F252-W285 AromaticContact CZ-NE1 3.76Å; F252-T381 WeakPolarHBondContact CE1-O 3.43Å; F252-V382 HydrophobicContact CD1-CG1 4.09Å; F252-V382 HydrophobicContact CE1-CG1 4.34Å
253	G	92.3	Very high	94.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-63	-42.3	-175.5	0	0	0	0	0	113.7	F60 H249	F60-G253 WeakPolarHBondContact CD2-O 3.22Å; H249-G253 WeakPolarHBondContact O-CA 3.39Å; H249-G253 PolarHBondContact O-N 3.35Å; H249-G253 VanDerWaalsContact O-N 3.1Å
254	L	92.7	Very high	95.1	Very high	22 Å²	22	8.9 Å²	8.9	12%	0.115	4%	0.041	C	C	.	.	I	π-helix	trans	-91	-35	168	-68.1	173.6	0	0	0	112	I54 F58 H249 S250 F252 L256 S257	I54-L254 HydrophobicContact CG2-CD1 4.5Å; F58-L254 HydrophobicContact CD1-CD1 4.25Å; F58-L254 HydrophobicContact CD1-CG 3.9Å; F58-L254 HydrophobicContact CD2-CD1 4.16Å; F58-L254 HydrophobicContact CD2-CD2 4.02Å; F58-L254 HydrophobicContact CD2-CG 4.09Å; F58-L254 HydrophobicContact CE1-CD2 4.1Å; F58-L254 HydrophobicContact CE1-CG 3.73Å; F58-L254 HydrophobicContact CE2-CD1 4.45Å; F58-L254 HydrophobicContact CE2-CD2 3.49Å; F58-L254 VanDerWaalsContact CE2-CD2 3.49Å; F58-L254 HydrophobicContact CE2-CG 3.91Å; F58-L254 HydrophobicContact CG-CD1 4.05Å; F58-L254 HydrophobicContact CG-CG 4.08Å; F58-L254 HydrophobicContact CZ-CD2 3.54Å; F58-L254 HydrophobicContact CZ-CG 3.72Å; H249-L254 PolarHBondContact O-N 3.1Å; S250-L254 CarbonylContact O-C 3.57Å; S250-L254 WeakPolarHBondContact O-CB 3.49Å; S250-L254 PolarHBondContact O-N 3.22Å; S250-L254 VanDerWaalsContact O-N 3.13Å; F252-L254 PolarHBondContact O-N 3.28Å; L254-L256 VanDerWaalsContact C-N 3.31Å; L254-L256 PolarHBondContact O-N 3.37Å; L254-S257 WeakPolarHBondContact O-CB 3.44Å; L254-S257 PolarHBondContact O-N 3.19Å; L254-S257 PolarHBondContact O-OG 2.93Å
255	G	93.7	Very high	95.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-53.7	176.4	0	0	0	0	0	113.6	S250 S251 F252 S257 V258 F435	S250-G255 PolarHBondContact O-N 3.43Å; S251-G255 WeakPolarHBondContact O-CA 3.18Å; F252-G255 PolarHBondContact O-N 3.36Å; G255-S257 PolarHBondContact O-N 2.83Å; G255-S257 VanDerWaalsContact O-N 3.09Å; G255-V258 VanDerWaalsContact O-CG1 3.3Å; G255-V258 WeakPolarHBondContact O-CG1 3.47Å; G255-V258 PolarHBondContact O-N 3.08Å; G255-F435 VanDerWaalsContact CA-CE2 3.49Å
256	L	95.8	Very high	95.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	2.1	-172.6	-65.3	165.2	0	0	0	113.7	F252 L254 V258 N259 G260 W285 F289 S290 V382	F252-L256 HydrophobicContact CB-CD1 4.07Å; F252-L256 HydrophobicContact CD1-CD1 4.27Å; F252-L256 HydrophobicContact CD2-CD1 4.16Å; F252-L256 HydrophobicContact CG-CD1 3.92Å; F252-L256 VanDerWaalsContact O-CB 3.32Å; F252-L256 WeakPolarHBondContact O-CB 3.45Å; F252-L256 WeakPolarHBondContact O-CG 3.49Å; F252-L256 PolarHBondContact O-N 2.54Å; L254-L256 VanDerWaalsContact C-N 3.31Å; L254-L256 PolarHBondContact O-N 3.37Å; L256-V258 PolarHBondContact O-N 3Å; L256-N259 HydrophobicContact CD2-CB 4.21Å; L256-N259 WeakPolarHBondContact CD2-ND2 3.36Å; L256-N259 PolarHBondContact O-N 3.27Å; L256-G260 PolarHBondContact O-N 2.82Å; L256-W285 HydrophobicContact CD2-CB 4.18Å; L256-W285 HydrophobicContact CD2-CD2 4.07Å; L256-W285 HydrophobicContact CD2-CG 3.7Å; L256-F289 HydrophobicContact CB-CB 3.8Å; L256-F289 HydrophobicContact CD1-CB 3.63Å; L256-F289 HydrophobicContact CD1-CD2 3.66Å; L256-F289 HydrophobicContact CD1-CG 3.95Å; L256-F289 HydrophobicContact CG-CB 4.34Å; L256-S290 PolarHBondContact O-OG 3.16Å; L256-V382 HydrophobicContact CD2-CB 4.04Å; L256-V382 HydrophobicContact CD2-CG1 3.7Å; L256-V382 HydrophobicContact CG-CG1 3.94Å
257	S	93.6	Very high	95.2	Very high	14 Å²	14	9.3 Å²	9.3	10%	0.098	4%	0.044	C	C	.	.	H	α-helix	trans	-56.9	-37.1	161.9	64.7	0	0	0	0	112	L254 G255 N259 G260 R261	L254-S257 WeakPolarHBondContact O-CB 3.44Å; L254-S257 PolarHBondContact O-N 3.19Å; L254-S257 PolarHBondContact O-OG 2.93Å; G255-S257 PolarHBondContact O-N 2.83Å; G255-S257 VanDerWaalsContact O-N 3.09Å; S257-N259 VanDerWaalsContact C-N 3.33Å; S257-N259 PolarHBondContact O-N 3.32Å; S257-G260 PolarHBondContact O-N 3.07Å; S257-R261 WeakPolarHBondContact O-CB 3.1Å; S257-R261 PolarHBondContact O-N 3.45Å
258	V	93.4	Very high	95.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63	-41.4	178.5	78.3	0	0	0	0	111	F50 G255 L256 F262 V382 L383 P403 A404	F50-V258 HydrophobicContact CE1-CG2 4.5Å; F50-V258 HydrophobicContact CZ-CB 4.29Å; F50-V258 HydrophobicContact CZ-CG2 4.37Å; G255-V258 VanDerWaalsContact O-CG1 3.3Å; G255-V258 WeakPolarHBondContact O-CG1 3.47Å; G255-V258 PolarHBondContact O-N 3.08Å; L256-V258 PolarHBondContact O-N 3Å; V258-F262 HydrophobicContact CB-CD2 4.33Å; V258-F262 HydrophobicContact CG2-CD2 3.63Å; V258-F262 HydrophobicContact CG2-CE2 4.01Å; V258-F262 WeakPolarHBondContact O-CB 3.49Å; V258-F262 WeakPolarHBondContact O-CD2 3.26Å; V258-F262 PolarHBondContact O-N 2.78Å; V258-F262 VanDerWaalsContact O-N 3.15Å; V258-V382 HydrophobicContact CG1-CB 4.23Å; V258-V382 HydrophobicContact CG1-CG2 3.75Å; V258-L383 HydrophobicContact CG1-CB 4.49Å; V258-P403 HydrophobicContact CG2-CB 4.29Å; V258-P403 HydrophobicContact CG2-CG 4.31Å; V258-A404 HydrophobicContact CB-CB 4.18Å; V258-A404 HydrophobicContact CG1-CB 4Å; V258-A404 HydrophobicContact CG2-CB 3.96Å
259	N	95.2	Very high	94.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-66.1	-51.4	177.6	-70	43.1	0	0	0	110.8	L256 S257 W263 L264 W285 S290 L383	L256-N259 HydrophobicContact CD2-CB 4.21Å; L256-N259 WeakPolarHBondContact CD2-ND2 3.36Å; L256-N259 PolarHBondContact O-N 3.27Å; S257-N259 VanDerWaalsContact C-N 3.33Å; S257-N259 PolarHBondContact O-N 3.32Å; N259-W263 PolarHBondContact O-N 3.33Å; N259-L264 WeakPolarHBondContact O-CB 3.24Å; N259-L264 WeakPolarHBondContact O-CG 3.07Å; N259-L264 PolarHBondContact O-N 3.45Å; N259-W285 WeakPolarHBondContact ND2-CZ3 3.09Å; N259-S290 WeakPolarHBondContact CB-OG 3.48Å; N259-L383 VanDerWaalsContact OD1-CB 3.26Å; N259-L383 WeakPolarHBondContact OD1-CB 3.49Å; N259-L383 PolarHBondContact OD1-N 2.84Å
260	G	95.7	Very high	95	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-64.7	-44.4	-178.3	0	0	0	0	0	113.4	L256 S257 D265 L266 S290	L256-G260 PolarHBondContact O-N 2.82Å; S257-G260 PolarHBondContact O-N 3.07Å; G260-D265 PolarHBondContact O-N 2.98Å; G260-L266 PolarHBondContact O-N 2.84Å; G260-S290 WeakPolarHBondContact CA-O 3.25Å
261	R	94.1	Very high	95.2	Very high	108 Å²	108	13 Å²	13	41%	0.408	7%	0.069	S	C	.	.	I	π-helix	trans	-74.7	-41.6	-174.4	-165.7	175.7	169.6	178.5	-2.6	112.9	N39 S257	N39-R261 HydrophobicContact CB-CG 3.64Å; N39-R261 VanDerWaalsContact CB-O 3.28Å; N39-R261 WeakPolarHBondContact CB-O 3.37Å; N39-R261 PolarHBondContact O-NE 2.96Å; N39-R261 VanDerWaalsContact O-NE 3.13Å; N39-R261 PolarHBondContact O-NH2 3.47Å; S257-R261 WeakPolarHBondContact O-CB 3.1Å; S257-R261 PolarHBondContact O-N 3.45Å
262	F	94.5	Very high	95.3	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.018	7%	0.069	C	C	.	.	I	π-helix	trans	-109.1	-46.9	-165.3	-54.5	-54.1	0	0	0	113.5	F40 M46 F50 V258 F388 P403	F40-F262 HydrophobicContact CB-CD1 4.16Å; F40-F262 HydrophobicContact CB-CE1 4.14Å; F40-F262 AromaticContact CD1-CD1 3.71Å; F40-F262 HydrophobicContact CD1-CD1 3.71Å; F40-F262 HydrophobicContact CD1-CE1 4.49Å; F40-F262 HydrophobicContact CE1-CB 4.4Å; F40-F262 HydrophobicContact CE1-CD1 4.31Å; F40-F262 WeakPolarHBondContact CE1-O 2.99Å; F40-F262 HydrophobicContact CG-CD1 4.04Å; M46-F262 HydrophobicContact CG-CD1 3.51Å; M46-F262 HydrophobicContact CG-CD2 4.25Å; M46-F262 HydrophobicContact CG-CE1 3.5Å; M46-F262 VanDerWaalsContact CG-CE1 3.5Å; M46-F262 HydrophobicContact CG-CE2 4.23Å; M46-F262 HydrophobicContact CG-CG 3.9Å; M46-F262 HydrophobicContact CG-CZ 3.86Å; M46-F262 HydrophobicContact SD-CB 3.53Å; M46-F262 VanDerWaalsContact SD-CB 3.53Å; M46-F262 HydrophobicContact SD-CD1 3.38Å; M46-F262 WeakPolarHBondContact SD-CD1 3.39Å; M46-F262 HydrophobicContact SD-CD2 4.07Å; M46-F262 HydrophobicContact SD-CE1 4.05Å; M46-F262 HydrophobicContact SD-CG 3.39Å; M46-F262 WeakPolarHBondContact SD-CG 3.49Å; F50-F262 AromaticContact CD2-CE2 3.63Å; F50-F262 HydrophobicContact CD2-CE2 3.63Å; F50-F262 AromaticContact CD2-CZ 3.67Å; F50-F262 HydrophobicContact CD2-CZ 3.67Å; F50-F262 AromaticContact CE2-CE2 3.62Å; F50-F262 HydrophobicContact CE2-CE2 3.62Å; F50-F262 AromaticContact CE2-CZ 3.98Å; F50-F262 HydrophobicContact CE2-CZ 3.98Å; F50-F262 HydrophobicContact CG-CE2 4.27Å; F50-F262 HydrophobicContact CG-CZ 4.44Å; F50-F262 HydrophobicContact CZ-CE2 4.24Å; V258-F262 HydrophobicContact CB-CD2 4.33Å; V258-F262 HydrophobicContact CG2-CD2 3.63Å; V258-F262 HydrophobicContact CG2-CE2 4.01Å; V258-F262 WeakPolarHBondContact O-CB 3.49Å; V258-F262 WeakPolarHBondContact O-CD2 3.26Å; V258-F262 PolarHBondContact O-N 2.78Å; V258-F262 VanDerWaalsContact O-N 3.15Å; F262-F388 HydrophobicContact CB-CD1 3.89Å; F262-F388 HydrophobicContact CB-CE1 3.89Å; F262-F388 WeakPolarHBondContact O-CD1 3.39Å; F262-P403 HydrophobicContact CD2-CG 3.84Å; F262-P403 HydrophobicContact CE2-CB 4.2Å; F262-P403 HydrophobicContact CE2-CG 3.83Å
263	W	96.5	Very high	95.6	Very high	1 Å²	1	13 Å²	13	0%	0.004	7%	0.069	C	C	.	.	I	π-helix	trans	-86.8	-47.6	-174.9	177.2	56.2	0	0	0	112.8	N259 D265 H348 V350 A352 Y373 L383 F388	N259-W263 PolarHBondContact O-N 3.33Å; W263-D265 VanDerWaalsContact C-N 3.31Å; W263-H348 PolarHBondContact O-NE2 3.4Å; W263-V350 HydrophobicContact CH2-CB 4.22Å; W263-V350 HydrophobicContact CH2-CG2 3.9Å; W263-V350 HydrophobicContact CZ2-CB 3.62Å; W263-V350 HydrophobicContact CZ2-CG1 4.42Å; W263-V350 HydrophobicContact CZ2-CG2 3.83Å; W263-V350 HydrophobicContact CZ3-CG2 4.47Å; W263-A352 HydrophobicContact CH2-CB 3.64Å; W263-A352 HydrophobicContact CZ2-CB 3.98Å; W263-Y373 PolarHBondContact NE1-O 2.79Å; W263-L383 HydrophobicContact CB-CD2 3.5Å; W263-L383 VanDerWaalsContact CB-CD2 3.5Å; W263-L383 HydrophobicContact CD2-CD1 4.01Å; W263-L383 HydrophobicContact CD2-CD2 4.34Å; W263-L383 HydrophobicContact CE3-CD1 4.14Å; W263-L383 HydrophobicContact CG-CD1 4.27Å; W263-L383 HydrophobicContact CG-CD2 3.83Å; W263-F388 HydrophobicContact CB-CD1 4.13Å; W263-F388 HydrophobicContact CB-CE1 3.86Å
264	L	97.1	Very high	95.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-76.9	-23.7	171.5	-54.2	-178.7	0	0	0	111.6	N259 L266 M272 H348 V350	N259-L264 WeakPolarHBondContact O-CB 3.24Å; N259-L264 WeakPolarHBondContact O-CG 3.07Å; N259-L264 PolarHBondContact O-N 3.45Å; L264-L266 VanDerWaalsContact C-N 3.25Å; L264-L266 HydrophobicContact CB-CD1 3.78Å; L264-L266 HydrophobicContact CB-CG 3.68Å; L264-L266 HydrophobicContact CD1-CD1 3.79Å; L264-L266 HydrophobicContact CG-CD1 4.45Å; L264-L266 PolarHBondContact O-N 2.99Å; L264-M272 HydrophobicContact CD1-CE 3.79Å; L264-M272 HydrophobicContact CD2-CE 3.86Å; L264-M272 HydrophobicContact CG-CE 4.42Å; L264-H348 PolarHBondContact O-CD2 3.17Å; L264-H348 VanDerWaalsContact O-CD2 3.25Å; L264-V350 HydrophobicContact CD2-CG1 4.25Å; L264-V350 HydrophobicContact CD2-CG2 3.67Å
265	D	96.4	Very high	95.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.			trans	46.5	48	180	-174.4	47.5	0	0	0	112.9	Q38 N39 G260 W263 K389	Q38-D265 WeakPolarHBondContact CG-OD2 3.49Å; Q38-D265 VanDerWaalsContact N-CG 3.33Å; Q38-D265 PolarHBondContact N-OD1 3.04Å; Q38-D265 PolarHBondContact N-OD2 3.27Å; Q38-D265 PolarHBondContact NE2-O 3.49Å; N39-D265 WeakPolarHBondContact CB-OD1 3.08Å; N39-D265 PolarHBondContact N-OD1 3.21Å; N39-D265 VanDerWaalsContact ND2-C 3.34Å; N39-D265 PolarHBondContact ND2-OD1 2.85Å; G260-D265 PolarHBondContact O-N 2.98Å; W263-D265 VanDerWaalsContact C-N 3.31Å; D265-K389 HydrophobicContact CB-CD 4.31Å; D265-K389 WeakPolarHBondContact OD2-CD 3.43Å; D265-K389 WeakPolarHBondContact OD2-CE 3.44Å; D265-K389 IonicContact OD2-NZ 3.6Å; D265-K389 PolarHBondContact OD2-NZ 2.9Å
266	L	96.8	Very high	95.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.			trans	-82.4	146.6	-174.7	-68	170.2	0	0	0	112	N39 G260 L264 D270 M272 P291 Q294 A296 V322	N39-L266 PolarHBondContact ND2-O 3.46Å; N39-L266 PolarHBondContact OD1-O 3.21Å; G260-L266 PolarHBondContact O-N 2.84Å; L264-L266 VanDerWaalsContact C-N 3.25Å; L264-L266 HydrophobicContact CB-CD1 3.78Å; L264-L266 HydrophobicContact CB-CG 3.68Å; L264-L266 HydrophobicContact CD1-CD1 3.79Å; L264-L266 HydrophobicContact CG-CD1 4.45Å; L264-L266 PolarHBondContact O-N 2.99Å; L266-D270 HydrophobicContact CD2-CB 3.8Å; L266-M272 HydrophobicContact CD1-CB 4.24Å; L266-M272 HydrophobicContact CD1-CG 4.13Å; L266-M272 HydrophobicContact CD1-SD 4.5Å; L266-M272 HydrophobicContact CD2-CB 3.95Å; L266-M272 HydrophobicContact CD2-CG 4.38Å; L266-M272 HydrophobicContact CD2-SD 4.35Å; L266-P291 HydrophobicContact CD1-CB 4.05Å; L266-P291 HydrophobicContact CD1-CG 4.18Å; L266-Q294 HydrophobicContact CB-CB 3.98Å; L266-Q294 HydrophobicContact CB-CG 4.09Å; L266-A296 HydrophobicContact CB-CB 4.23Å; L266-A296 HydrophobicContact CD1-CB 4.48Å; L266-A296 HydrophobicContact CD2-CB 4.49Å; L266-V322 HydrophobicContact CD2-CB 3.9Å; L266-V322 HydrophobicContact CD2-CG1 4.32Å; L266-V322 HydrophobicContact CD2-CG2 3.53Å
267	T	95.5	Very high	95.1	Very high	21 Å²	21	14.5 Å²	14.5	13%	0.129	8%	0.079	C	C	.	.			trans	-123.6	167.9	171.4	69.8	0	0	0	0	110.2	Q38 S269 D270 Q294 A296	Q38-T267 HydrophobicContact CB-CG2 3.83Å; Q38-T267 HydrophobicContact CG-CG2 4.36Å; T267-S269 PolarHBondContact O-N 2.87Å; T267-S269 PolarHBondContact OG1-N 2.77Å; T267-S269 PolarHBondContact OG1-OG 2.57Å; T267-D270 WeakPolarHBondContact CB-OD2 3.4Å; T267-D270 PolarHBondContact N-OD2 2.97Å; T267-D270 WeakPolarHBondContact O-CB 3.3Å; T267-D270 PolarHBondContact O-N 3.26Å; T267-D270 PolarHBondContact OG1-OD2 3.06Å; T267-Q294 CarbonylContact C-O 3.6Å; T267-A296 WeakPolarHBondContact O-CB 3.25Å
268	P	95.4	Very high	95.1	Very high	39 Å²	39	14 Å²	14	25%	0.253	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-11.9	171.2	-24.5	33.6	0	0	0	114.8	W68 P78 Q294	W68-P268 HydrophobicContact CH2-CG 3.86Å; W68-P268 HydrophobicContact CZ3-CG 4.2Å; P78-P268 HydrophobicContact CG-CB 4.14Å; P268-Q294 WeakPolarHBondContact CD-O 3.28Å; P268-Q294 WeakPolarHBondContact CG-O 3.21Å
269	S	94.8	Very high	94.8	Very high	56 Å²	56	14.7 Å²	14.7	39%	0.392	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.6	176.8	77.3	0	0	0	0	114.1	N80 T267	N80-S269 PolarHBondContact ND2-O 3.21Å; T267-S269 PolarHBondContact O-N 2.87Å; T267-S269 PolarHBondContact OG1-N 2.77Å; T267-S269 PolarHBondContact OG1-OG 2.57Å
270	D	97.7	Very high	94.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.098	C	C	.	.			trans	-92	151.8	-175.9	-73.8	-64.8	0	0	0	113.4	Q38 L266 T267 A296 C297 T321	Q38-D270 PolarHBondContact NE2-OD2 2.95Å; L266-D270 HydrophobicContact CD2-CB 3.8Å; T267-D270 WeakPolarHBondContact CB-OD2 3.4Å; T267-D270 PolarHBondContact N-OD2 2.97Å; T267-D270 WeakPolarHBondContact O-CB 3.3Å; T267-D270 PolarHBondContact O-N 3.26Å; T267-D270 PolarHBondContact OG1-OD2 3.06Å; D270-A296 HydrophobicContact CB-CB 4.42Å; D270-C297 PolarHBondContact O-N 3.47Å; D270-T321 VanDerWaalsContact CA-OG1 3.28Å; D270-T321 WeakPolarHBondContact CA-OG1 3.42Å; D270-T321 VanDerWaalsContact CB-OG1 3.25Å; D270-T321 WeakPolarHBondContact CB-OG1 3.4Å; D270-T321 VanDerWaalsContact OD1-CB 3.27Å; D270-T321 WeakPolarHBondContact OD1-CB 3.4Å; D270-T321 PolarHBondContact OD1-OG1 2.88Å
271	V	98.4	Very high	94	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.024	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	107.5	173.2	178.9	0	0	0	0	107.2	C297 F299 P319 I320 T321 V322	V271-C297 HydrophobicContact CB-CB 4.39Å; V271-C297 HydrophobicContact CG1-CB 4.44Å; V271-C297 HydrophobicContact CG2-CB 4.02Å; V271-F299 HydrophobicContact CG1-CB 3.83Å; V271-F299 HydrophobicContact CG1-CD2 4.3Å; V271-F299 HydrophobicContact CG1-CG 4.41Å; V271-P319 WeakPolarHBondContact CB-O 3.44Å; V271-I320 HydrophobicContact CG1-CG1 4.21Å; V271-T321 PolarHBondContact N-OG1 2.85Å; V271-T321 PolarHBondContact O-N 2.93Å; V271-T321 PolarHBondContact O-OG1 2.9Å; V271-V322 PolarHBondContact O-N 2.85Å; V271-V322 VanDerWaalsContact O-N 3.16Å
272	M	98.5	Very high	93.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.6	-171.4	172.1	60.8	-179.4	0	0	110.6	L264 L266 N274 S286 P291 C297 F299 V322 C324	L264-M272 HydrophobicContact CD1-CE 3.79Å; L264-M272 HydrophobicContact CD2-CE 3.86Å; L264-M272 HydrophobicContact CG-CE 4.42Å; L266-M272 HydrophobicContact CD1-CB 4.24Å; L266-M272 HydrophobicContact CD1-CG 4.13Å; L266-M272 HydrophobicContact CD1-SD 4.5Å; L266-M272 HydrophobicContact CD2-CB 3.95Å; L266-M272 HydrophobicContact CD2-CG 4.38Å; L266-M272 HydrophobicContact CD2-SD 4.35Å; M272-N274 HydrophobicContact CE-CB 4.18Å; M272-S286 WeakPolarHBondContact CE-O 3.28Å; M272-P291 HydrophobicContact CB-CB 4.3Å; M272-P291 HydrophobicContact CB-CG 4.31Å; M272-P291 HydrophobicContact CG-CB 4.36Å; M272-P291 HydrophobicContact CG-CG 3.84Å; M272-C297 PolarHBondContact N-O 2.82Å; M272-F299 PolarHBondContact O-N 3.2Å; M272-V322 HydrophobicContact SD-CB 3.76Å; M272-V322 HydrophobicContact SD-CG1 3.53Å; M272-V322 VanDerWaalsContact SD-CG1 3.53Å; M272-C324 HydrophobicContact CE-CB 3.3Å; M272-C324 HydrophobicContact SD-CB 4.3Å
273	W	98.7	Very high	93.6	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.011	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118	171.7	-171.6	22.9	0	0	0	111.5	T275 F299 H301 V311 T314 L315 I320 V322 F323 C324	W273-T275 HydrophobicContact CD2-CG2 4.2Å; W273-T275 HydrophobicContact CZ2-CG2 4.05Å; W273-F299 HydrophobicContact CB-CB 4.15Å; W273-F299 HydrophobicContact CB-CD1 4.08Å; W273-F299 AromaticContact CD1-CD1 3.82Å; W273-F299 VanDerWaalsContact CD1-O 3.28Å; W273-F299 HydrophobicContact CD2-CD1 4.03Å; W273-F299 HydrophobicContact CD2-CE1 4.37Å; W273-F299 AromaticContact CG-CD1 3.73Å; W273-F299 HydrophobicContact CG-CD1 3.73Å; W273-H301 HydrophobicContact CZ2-CB 3.7Å; W273-V311 HydrophobicContact CH2-CB 4.09Å; W273-V311 HydrophobicContact CH2-CG1 3.81Å; W273-V311 HydrophobicContact CH2-CG2 4.02Å; W273-V311 HydrophobicContact CZ3-CB 4.39Å; W273-V311 HydrophobicContact CZ3-CG1 3.71Å; W273-T314 HydrophobicContact CE3-CG2 4.06Å; W273-T314 HydrophobicContact CH2-CG2 3.55Å; W273-T314 HydrophobicContact CZ2-CG2 4.22Å; W273-T314 HydrophobicContact CZ3-CG2 3.46Å; W273-T314 VanDerWaalsContact CZ3-CG2 3.46Å; W273-L315 HydrophobicContact CE3-CD2 3.89Å; W273-L315 HydrophobicContact CE3-CG 4.18Å; W273-L315 HydrophobicContact CZ3-CD2 4.25Å; W273-L315 HydrophobicContact CZ3-CG 4.02Å; W273-I320 HydrophobicContact CB-CD1 4.03Å; W273-I320 HydrophobicContact CB-CG1 4.43Å; W273-I320 HydrophobicContact CB-CG2 3.74Å; W273-I320 HydrophobicContact CD2-CD1 4Å; W273-I320 HydrophobicContact CE3-CD1 3.52Å; W273-I320 HydrophobicContact CG-CD1 4.26Å; W273-I320 HydrophobicContact CZ3-CD1 4.24Å; W273-V322 PolarHBondContact N-O 3.16Å; W273-F323 HydrophobicContact CB-CD2 4.38Å; W273-F323 HydrophobicContact CD2-CD2 4.26Å; W273-F323 HydrophobicContact CD2-CE2 4.13Å; W273-F323 AromaticContact CE3-CD2 3.84Å; W273-F323 HydrophobicContact CE3-CD2 3.84Å; W273-F323 AromaticContact CE3-CE2 3.71Å; W273-F323 HydrophobicContact CE3-CE2 3.71Å; W273-F323 HydrophobicContact CG-CD2 4.5Å; W273-F323 HydrophobicContact CZ3-CE2 4.13Å; W273-C324 PolarHBondContact O-N 2.83Å
274	N	96.6	Very high	93.5	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.032	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	166.9	167.1	66	0	0	0	110.3	M272 S276 S286 S287 C324	M272-N274 HydrophobicContact CE-CB 4.18Å; N274-S276 PolarHBondContact ND2-OG 3.06Å; N274-S286 WeakPolarHBondContact CB-O 3.45Å; N274-S287 WeakPolarHBondContact CB-OG 3.24Å; N274-S287 PolarHBondContact ND2-OG 2.77Å; N274-C324 WeakPolarHBondContact CA-O 3.45Å; N274-C324 HydrophobicContact CB-CB 4.13Å; N274-C324 PolarHBondContact OD1-SG 3.19Å; N274-C324 VanDerWaalsContact OD1-SG 3.35Å
275	T	92.3	Very high	93.3	Very high	15 Å²	15	16 Å²	16	9%	0.092	9%	0.091	C	C	.	.			trans	-98.6	11.4	-173.6	73.1	0	0	0	0	114.4	R129 W273 F323 C324 S325	R129-T275 PolarHBondContact NH1-O 3.35Å; W273-T275 HydrophobicContact CD2-CG2 4.2Å; W273-T275 HydrophobicContact CZ2-CG2 4.05Å; T275-F323 HydrophobicContact CG2-CE2 3.48Å; T275-F323 VanDerWaalsContact CG2-CE2 3.48Å; T275-F323 HydrophobicContact CG2-CZ 3.91Å; T275-C324 PolarHBondContact N-O 2.81Å; T275-S325 PolarHBondContact OG1-OG 2.79Å
276	S	86.4	Confident	93.1	Very high	12 Å²	12	16.1 Å²	16.1	8%	0.084	9%	0.091	C	C	.	.			trans	-64.3	162.5	-177.8	74.6	0	0	0	0	112.5	R129 N274 S283	R129-S276 PolarHBondContact NH1-O 3.26Å; N274-S276 PolarHBondContact ND2-OG 3.06Å; S276-S283 PolarHBondContact OG-N 2.98Å
277	D	88.7	Confident	93.1	Very high	20 Å²	20	16.4 Å²	16.4	11%	0.107	9%	0.093	C	C	.	.			trans	-61.8	149.7	162.1	-173.2	-79.4	0	0	0	110.1	T151 G279 W280	T151-D277 WeakPolarHBondContact CA-OD1 3.35Å; T151-D277 WeakPolarHBondContact CB-OD1 3.38Å; T151-D277 WeakPolarHBondContact CB-OD2 3.25Å; T151-D277 VanDerWaalsContact OG1-CG 3.26Å; T151-D277 PolarHBondContact OG1-OD1 3.46Å; T151-D277 PolarHBondContact OG1-OD2 2.96Å; D277-G279 WeakPolarHBondContact OD1-CA 3.38Å; D277-G279 PolarHBondContact OD1-N 2.91Å; D277-W280 HydrophobicContact CB-CD2 3.96Å; D277-W280 HydrophobicContact CB-CG 4.08Å; D277-W280 HydrophobicContact CB-CZ2 3.99Å
278	T	93.6	Very high	93.2	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.031	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-32.3	-179.6	34.6	0	0	0	0	112.6	L127 R129 W133 W280 S283	L127-T278 PolarHBondContact O-OG1 3.28Å; R129-T278 HydrophobicContact CG-CG2 3.95Å; W133-T278 HydrophobicContact CB-CG2 4.48Å; W133-T278 HydrophobicContact CD2-CG2 3.68Å; W133-T278 HydrophobicContact CE3-CG2 4.18Å; W133-T278 HydrophobicContact CG-CG2 3.77Å; W133-T278 WeakPolarHBondContact CZ2-O 3.34Å; T278-W280 VanDerWaalsContact C-N 3.35Å; T278-W280 PolarHBondContact O-N 3.21Å; T278-S283 PolarHBondContact O-OG 3.02Å
279	G	87.6	Confident	93.3	Very high	13 Å²	13	13.9 Å²	13.9	13%	0.134	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-1	-179.3	0	0	0	0	0	116.3	G150 D277	G150-G279 VanDerWaalsContact C-CA 3.44Å; D277-G279 WeakPolarHBondContact OD1-CA 3.38Å; D277-G279 PolarHBondContact OD1-N 2.91Å
280	W	84.4	Confident	93.4	Very high	86 Å²	86	11.2 Å²	11.2	33%	0.326	6%	0.058	S	C	.	.	S	Bend	trans	-97.2	146.5	178.6	-57.8	1.4	0	0	0	110.2	D277 T278 K282 S283	D277-W280 HydrophobicContact CB-CD2 3.96Å; D277-W280 HydrophobicContact CB-CG 4.08Å; D277-W280 HydrophobicContact CB-CZ2 3.99Å; T278-W280 VanDerWaalsContact C-N 3.35Å; T278-W280 PolarHBondContact O-N 3.21Å; W280-K282 HydrophobicContact CB-CB 4.33Å; W280-K282 PolarHBondContact O-N 2.9Å; W280-S283 WeakPolarHBondContact O-CB 3.28Å; W280-S283 PolarHBondContact O-N 2.95Å; W280-S283 PolarHBondContact O-OG 3.38Å
281	A	90.1	Very high	93.5	Very high	9 Å²	9	11.1 Å²	11.1	7%	0.074	6%	0.057	C	C	.	.	H	α-helix	trans	-55.7	-19.6	173.5	0	0	0	0	0	113.9	F233 F252 S283 A284 W285 T379	F233-A281 HydrophobicContact CD1-CB 3.98Å; F233-A281 HydrophobicContact CD2-CB 4.25Å; F233-A281 HydrophobicContact CE1-CB 4.15Å; F233-A281 HydrophobicContact CE2-CB 4.44Å; F233-A281 HydrophobicContact CG-CB 4.03Å; F233-A281 HydrophobicContact CZ-CB 4.39Å; F252-A281 HydrophobicContact CE2-CB 4.48Å; F252-A281 HydrophobicContact CZ-CB 4.39Å; A281-S283 PolarHBondContact O-N 3.16Å; A281-A284 WeakPolarHBondContact O-CB 3.19Å; A281-A284 PolarHBondContact O-N 3.42Å; A281-W285 PolarHBondContact O-N 2.81Å; A281-T379 HydrophobicContact CB-CG2 3.63Å
282	K	88.5	Confident	93.5	Very high	31 Å²	31	11 Å²	11	14%	0.135	6%	0.056	C	C	.	.	H	α-helix	trans	-59.2	-29.2	171.2	-173.3	54.9	175.2	165.2	0	113.8	W280 W285 S286 C324	W280-K282 HydrophobicContact CB-CB 4.33Å; W280-K282 PolarHBondContact O-N 2.9Å; K282-W285 HydrophobicContact CD-CB 4.4Å; K282-S286 PolarHBondContact NZ-OG 2.88Å; K282-S286 PolarHBondContact O-N 2.68Å; K282-C324 WeakPolarHBondContact CE-SG 3.19Å; K282-C324 PolarHBondContact NZ-SG 3.35Å
283	S	92.2	Very high	93.4	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-68.8	-46.8	173.9	68.1	0	0	0	0	110.8	W133 S276 T278 W280 A281 W285 S286 S287 V288	W133-S283 VanDerWaalsContact CH2-OG 3.26Å; W133-S283 WeakPolarHBondContact CH2-OG 3.4Å; W133-S283 WeakPolarHBondContact CZ2-OG 3.33Å; S276-S283 PolarHBondContact OG-N 2.98Å; T278-S283 PolarHBondContact O-OG 3.02Å; W280-S283 WeakPolarHBondContact O-CB 3.28Å; W280-S283 PolarHBondContact O-N 2.95Å; W280-S283 PolarHBondContact O-OG 3.38Å; A281-S283 PolarHBondContact O-N 3.16Å; S283-W285 VanDerWaalsContact C-N 3.32Å; S283-W285 PolarHBondContact O-N 3.22Å; S283-S286 PolarHBondContact O-N 2.66Å; S283-S287 CarbonylContact O-C 3.46Å; S283-S287 VanDerWaalsContact O-CA 3.26Å; S283-S287 WeakPolarHBondContact O-CA 3.42Å; S283-S287 VanDerWaalsContact O-CB 3.26Å; S283-S287 WeakPolarHBondContact O-CB 3.35Å; S283-S287 PolarHBondContact O-N 3.42Å; S283-V288 PolarHBondContact O-N 3.39Å
284	A	93.3	Very high	93.3	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.008	7%	0.069	C	C	.	.	I	π-helix	trans	-56.6	-47.4	172	0	0	0	0	0	111.2	F233 F252 A281 F289	F233-A284 HydrophobicContact CE2-CB 4.48Å; F233-A284 HydrophobicContact CZ-CB 3.83Å; F252-A284 HydrophobicContact CD2-CB 4.25Å; F252-A284 HydrophobicContact CE2-CB 4.14Å; A281-A284 WeakPolarHBondContact O-CB 3.19Å; A281-A284 PolarHBondContact O-N 3.42Å; A284-F289 HydrophobicContact CB-CD2 3.92Å; A284-F289 HydrophobicContact CB-CE2 3.87Å; A284-F289 VanDerWaalsContact O-CD2 3.29Å; A284-F289 WeakPolarHBondContact O-CD2 3.31Å; A284-F289 PolarHBondContact O-N 3.05Å
285	W	92.8	Very high	93.3	Very high	12 Å²	12	13.3 Å²	13.3	5%	0.045	7%	0.068	C	C	.	.	I	π-helix	trans	-55.1	-62.3	175.8	-77.3	35.8	0	0	0	112.2	F252 L256 N259 A281 K282 S283 S290 T381 V382 L383	F252-W285 AromaticContact CE1-NE1 3.97Å; F252-W285 AromaticContact CZ-NE1 3.76Å; L256-W285 HydrophobicContact CD2-CB 4.18Å; L256-W285 HydrophobicContact CD2-CD2 4.07Å; L256-W285 HydrophobicContact CD2-CG 3.7Å; N259-W285 WeakPolarHBondContact ND2-CZ3 3.09Å; A281-W285 PolarHBondContact O-N 2.81Å; K282-W285 HydrophobicContact CD-CB 4.4Å; S283-W285 VanDerWaalsContact C-N 3.32Å; S283-W285 PolarHBondContact O-N 3.22Å; W285-S290 WeakPolarHBondContact O-CB 3.41Å; W285-S290 PolarHBondContact O-N 2.66Å; W285-S290 PolarHBondContact O-OG 3.44Å; W285-T381 WeakPolarHBondContact CZ2-O 3.28Å; W285-T381 PolarHBondContact NE1-O 3.38Å; W285-V382 WeakPolarHBondContact CH2-O 3.32Å; W285-V382 WeakPolarHBondContact CZ2-O 3.46Å; W285-L383 HydrophobicContact CH2-CB 4.5Å; W285-L383 HydrophobicContact CZ3-CB 4.37Å; W285-L383 HydrophobicContact CZ3-CD1 4.22Å
286	S	93.6	Very high	93.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.007	6%	0.063	C	C	.	.	I	π-helix	trans	-113.7	-0.9	-160.7	-66.2	0	0	0	0	115	M272 N274 K282 S283	M272-S286 WeakPolarHBondContact CE-O 3.28Å; N274-S286 WeakPolarHBondContact CB-O 3.45Å; K282-S286 PolarHBondContact NZ-OG 2.88Å; K282-S286 PolarHBondContact O-N 2.68Å; S283-S286 PolarHBondContact O-N 2.66Å
287	S	96.3	Very high	94.1	Very high	6 Å²	6	12 Å²	12	4%	0.042	6%	0.059	C	C	.	.	I	π-helix	trans	-123	-2.3	175.3	-61.1	0	0	0	0	114	W134 N274 S283 V298	W134-S287 PolarHBondContact NE1-O 2.95Å; N274-S287 WeakPolarHBondContact CB-OG 3.24Å; N274-S287 PolarHBondContact ND2-OG 2.77Å; S283-S287 CarbonylContact O-C 3.46Å; S283-S287 VanDerWaalsContact O-CA 3.26Å; S283-S287 WeakPolarHBondContact O-CA 3.42Å; S283-S287 VanDerWaalsContact O-CB 3.26Å; S283-S287 WeakPolarHBondContact O-CB 3.35Å; S283-S287 PolarHBondContact O-N 3.42Å; S287-V298 WeakPolarHBondContact O-CG1 3.3Å; S287-V298 WeakPolarHBondContact O-CG2 3.37Å
288	V	97.4	Very high	94.6	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	6%	0.055	C	C	.	.	I	π-helix	trans	-131.8	-76.8	179.4	-177	0	0	0	0	111.1	W133 N137 S283 W292	W133-V288 HydrophobicContact CH2-CG2 3.69Å; W133-V288 HydrophobicContact CZ3-CG2 3.53Å; N137-V288 HydrophobicContact CB-CG1 4.44Å; S283-V288 PolarHBondContact O-N 3.39Å; V288-W292 HydrophobicContact CG1-CE3 3.9Å; V288-W292 HydrophobicContact CG1-CZ3 3.79Å; V288-W292 WeakPolarHBondContact O-CB 3.24Å; V288-W292 PolarHBondContact O-N 3.49Å
289	F	97.8	Very high	94.8	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.026	5%	0.053	C	C	.	.	I	π-helix	trans	-76.9	-49.8	-164.6	-62.2	-73.8	0	0	0	113	F60 L141 M230 L256 A284 I293	F60-F289 HydrophobicContact CB-CE1 4.24Å; F60-F289 AromaticContact CD1-CD1 3.86Å; F60-F289 HydrophobicContact CD1-CD1 3.86Å; F60-F289 AromaticContact CD1-CE1 3.96Å; F60-F289 HydrophobicContact CD1-CE1 3.96Å; F60-F289 AromaticContact CD2-CD1 3.7Å; F60-F289 HydrophobicContact CD2-CD1 3.7Å; F60-F289 HydrophobicContact CD2-CE1 4.26Å; F60-F289 AromaticContact CE1-CD1 3.9Å; F60-F289 HydrophobicContact CE1-CD1 3.9Å; F60-F289 HydrophobicContact CE1-CE1 4.38Å; F60-F289 HydrophobicContact CE2-CB 4.31Å; F60-F289 AromaticContact CE2-CD1 3.72Å; F60-F289 HydrophobicContact CE2-CD1 3.72Å; F60-F289 AromaticContact CG-CD1 3.77Å; F60-F289 HydrophobicContact CG-CD1 3.77Å; F60-F289 AromaticContact CG-CE1 3.9Å; F60-F289 HydrophobicContact CG-CE1 3.9Å; F60-F289 HydrophobicContact CZ-CB 4.34Å; F60-F289 AromaticContact CZ-CD1 3.83Å; F60-F289 HydrophobicContact CZ-CD1 3.83Å; L141-F289 HydrophobicContact CD1-CE1 3.85Å; L141-F289 HydrophobicContact CD1-CZ 4.14Å; M230-F289 HydrophobicContact CE-CD2 4.4Å; M230-F289 HydrophobicContact CE-CE1 3.8Å; M230-F289 HydrophobicContact CE-CE2 3.55Å; M230-F289 HydrophobicContact CE-CZ 3.21Å; M230-F289 HydrophobicContact SD-CZ 4.34Å; L256-F289 HydrophobicContact CB-CB 3.8Å; L256-F289 HydrophobicContact CD1-CB 3.63Å; L256-F289 HydrophobicContact CD1-CD2 3.66Å; L256-F289 HydrophobicContact CD1-CG 3.95Å; L256-F289 HydrophobicContact CG-CB 4.34Å; A284-F289 HydrophobicContact CB-CD2 3.92Å; A284-F289 HydrophobicContact CB-CE2 3.87Å; A284-F289 VanDerWaalsContact O-CD2 3.29Å; A284-F289 WeakPolarHBondContact O-CD2 3.31Å; A284-F289 PolarHBondContact O-N 3.05Å; F289-I293 WeakPolarHBondContact O-CB 3.34Å; F289-I293 VanDerWaalsContact O-CG2 3.25Å; F289-I293 WeakPolarHBondContact O-CG2 3.32Å; F289-I293 PolarHBondContact O-N 3.23Å
290	S	97.6	Very high	95.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.3	-37.9	-176.2	-52.4	0	0	0	0	114.7	L256 N259 G260 W285 I293	L256-S290 PolarHBondContact O-OG 3.16Å; N259-S290 WeakPolarHBondContact CB-OG 3.48Å; G260-S290 WeakPolarHBondContact CA-O 3.25Å; W285-S290 WeakPolarHBondContact O-CB 3.41Å; W285-S290 PolarHBondContact O-N 2.66Å; W285-S290 PolarHBondContact O-OG 3.44Å; S290-I293 WeakPolarHBondContact O-CG2 3.26Å
291	P	98.1	Very high	96	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-75.6	-47.5	177.7	-18.5	35.1	0	0	0	111.9	L266 M272 I293 Q294 G295 A296 V298	L266-P291 HydrophobicContact CD1-CB 4.05Å; L266-P291 HydrophobicContact CD1-CG 4.18Å; M272-P291 HydrophobicContact CB-CB 4.3Å; M272-P291 HydrophobicContact CB-CG 4.31Å; M272-P291 HydrophobicContact CG-CB 4.36Å; M272-P291 HydrophobicContact CG-CG 3.84Å; P291-I293 PolarHBondContact O-N 3.01Å; P291-Q294 CarbonylContact O-C 3.57Å; P291-Q294 PolarHBondContact O-N 3.45Å; P291-Q294 VanDerWaalsContact O-N 3.1Å; P291-G295 PolarHBondContact O-N 3.29Å; P291-G295 VanDerWaalsContact O-N 3.13Å; P291-A296 HydrophobicContact CB-CB 4.28Å; P291-A296 PolarHBondContact O-N 3.34Å; P291-V298 HydrophobicContact CB-CG2 3.68Å; P291-V298 HydrophobicContact CG-CG2 3.94Å
292	W	98.3	Very high	96.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-70.4	-27.7	-176.5	-69.9	-23.5	0	0	0	113.8	F60 L65 W68 A82 F97 L100 W134 V138 V288 Q294 G295 V298	F60-W292 HydrophobicContact CE1-CB 4.14Å; F60-W292 HydrophobicContact CE1-CE3 4.35Å; F60-W292 HydrophobicContact CZ-CB 4.08Å; L65-W292 HydrophobicContact CD1-CE3 4.21Å; L65-W292 HydrophobicContact CD1-CZ3 4.39Å; L65-W292 HydrophobicContact CD2-CB 3.62Å; L65-W292 HydrophobicContact CD2-CD2 3.94Å; L65-W292 HydrophobicContact CD2-CE3 3.92Å; L65-W292 HydrophobicContact CD2-CG 3.86Å; W68-W292 VanDerWaalsContact CD1-O 3.31Å; W68-W292 PolarHBondContact NE1-O 2.98Å; A82-W292 PolarHBondContact O-NE1 2.82Å; F97-W292 HydrophobicContact CE1-CB 4.39Å; F97-W292 HydrophobicContact CE1-CG 4.29Å; F97-W292 AromaticContact CZ-CD1 3.88Å; L100-W292 HydrophobicContact CD1-CH2 4.11Å; L100-W292 HydrophobicContact CD1-CZ2 4.26Å; L100-W292 HydrophobicContact CD2-CD2 4.33Å; L100-W292 HydrophobicContact CD2-CH2 3.88Å; L100-W292 HydrophobicContact CD2-CZ2 3.55Å; L100-W292 HydrophobicContact CD2-CZ3 4.42Å; W134-W292 HydrophobicContact CB-CH2 4.1Å; W134-W292 AromaticContact CD1-CH2 3.78Å; W134-W292 HydrophobicContact CG-CH2 4.35Å; V138-W292 HydrophobicContact CG2-CE3 4.49Å; V138-W292 HydrophobicContact CG2-CH2 3.97Å; V138-W292 HydrophobicContact CG2-CZ3 3.54Å; V288-W292 HydrophobicContact CG1-CE3 3.9Å; V288-W292 HydrophobicContact CG1-CZ3 3.79Å; V288-W292 WeakPolarHBondContact O-CB 3.24Å; V288-W292 PolarHBondContact O-N 3.49Å; W292-Q294 PolarHBondContact O-N 3.35Å; W292-G295 PolarHBondContact O-N 3.25Å; W292-V298 HydrophobicContact CD2-CG2 4.41Å; W292-V298 HydrophobicContact CG-CG2 4.38Å; W292-V298 HydrophobicContact CZ2-CG2 4.45Å
293	I	96.7	Very high	96.3	Very high	27 Å²	27	7.5 Å²	7.5	14%	0.138	4%	0.037	C	C	.	.	H	α-helix	trans	-66.9	-26.9	171.7	-159.5	158.6	0	0	0	112.8	F60 V64 F289 S290 P291	F60-I293 HydrophobicContact CE2-CB 3.96Å; F60-I293 HydrophobicContact CE2-CD1 4.14Å; F60-I293 HydrophobicContact CE2-CG1 4.33Å; F60-I293 HydrophobicContact CZ-CB 4.22Å; V64-I293 HydrophobicContact CG1-CB 4.31Å; V64-I293 HydrophobicContact CG1-CG1 4.19Å; V64-I293 HydrophobicContact CG2-CG1 4.46Å; F289-I293 WeakPolarHBondContact O-CB 3.34Å; F289-I293 VanDerWaalsContact O-CG2 3.25Å; F289-I293 WeakPolarHBondContact O-CG2 3.32Å; F289-I293 PolarHBondContact O-N 3.23Å; S290-I293 WeakPolarHBondContact O-CG2 3.26Å; P291-I293 PolarHBondContact O-N 3.01Å
294	Q	96.5	Very high	95.8	Very high	31 Å²	31	12.5 Å²	12.5	15%	0.145	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	5.4	171.1	-54.9	-53.2	-24.5	0	0	113.1	L266 T267 P268 P291 W292 A296	L266-Q294 HydrophobicContact CB-CB 3.98Å; L266-Q294 HydrophobicContact CB-CG 4.09Å; T267-Q294 CarbonylContact C-O 3.6Å; P268-Q294 WeakPolarHBondContact CD-O 3.28Å; P268-Q294 WeakPolarHBondContact CG-O 3.21Å; P291-Q294 CarbonylContact O-C 3.57Å; P291-Q294 PolarHBondContact O-N 3.45Å; P291-Q294 VanDerWaalsContact O-N 3.1Å; W292-Q294 PolarHBondContact O-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.38Å
295	G	96.5	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	13.8	-177.9	0	0	0	0	0	114.6	W68 K77 P291 W292	W68-G295 VanDerWaalsContact CZ2-CA 3.49Å; W68-G295 VanDerWaalsContact CZ2-N 3.34Å; K77-G295 PolarHBondContact NZ-O 2.93Å; P291-G295 PolarHBondContact O-N 3.29Å; P291-G295 VanDerWaalsContact O-N 3.13Å; W292-G295 PolarHBondContact O-N 3.25Å
296	A	97.9	Very high	94.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-75.8	158.2	-179.2	0	0	0	0	0	111.9	L266 T267 D270 P291 Q294	L266-A296 HydrophobicContact CB-CB 4.23Å; L266-A296 HydrophobicContact CD1-CB 4.48Å; L266-A296 HydrophobicContact CD2-CB 4.49Å; T267-A296 WeakPolarHBondContact O-CB 3.25Å; D270-A296 HydrophobicContact CB-CB 4.42Å; P291-A296 HydrophobicContact CB-CB 4.28Å; P291-A296 PolarHBondContact O-N 3.34Å; Q294-A296 PolarHBondContact O-N 3.38Å
297	C	98.6	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.3	173.6	175.7	0	0	0	0	110.6	N80 P81 D270 V271 M272	N80-C297 HydrophobicContact CB-CB 4.44Å; P81-C297 VanDerWaalsContact O-CA 3.24Å; P81-C297 WeakPolarHBondContact O-CA 3.2Å; P81-C297 WeakPolarHBondContact O-CB 3.07Å; D270-C297 PolarHBondContact O-N 3.47Å; V271-C297 HydrophobicContact CB-CB 4.39Å; V271-C297 HydrophobicContact CG1-CB 4.44Å; V271-C297 HydrophobicContact CG2-CB 4.02Å; M272-C297 PolarHBondContact N-O 2.82Å
298	V	98.8	Very high	94.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	117	164.3	173.1	0	0	0	0	108.9	A82 F83 W84 S287 P291 W292	A82-V298 PolarHBondContact O-N 3.13Å; F83-V298 CarbonylContact C-O 3.59Å; F83-V298 WeakPolarHBondContact CA-O 3.32Å; F83-V298 HydrophobicContact CD2-CB 4.04Å; F83-V298 HydrophobicContact CD2-CG1 3.91Å; F83-V298 HydrophobicContact CE2-CG1 4.13Å; W84-V298 PolarHBondContact N-O 3.25Å; S287-V298 WeakPolarHBondContact O-CG1 3.3Å; S287-V298 WeakPolarHBondContact O-CG2 3.37Å; P291-V298 HydrophobicContact CB-CG2 3.68Å; P291-V298 HydrophobicContact CG-CG2 3.94Å; W292-V298 HydrophobicContact CD2-CG2 4.41Å; W292-V298 HydrophobicContact CG-CG2 4.38Å; W292-V298 HydrophobicContact CZ2-CG2 4.45Å
299	F	98.8	Very high	94.2	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.3	169.7	-170.1	-88.5	0	0	0	110.7	W84 I86 V271 M272 W273 H301 T314 Y318 I320	W84-F299 HydrophobicContact CB-CD2 4.07Å; W84-F299 AromaticContact CD2-CD2 3.99Å; W84-F299 HydrophobicContact CD2-CD2 3.99Å; W84-F299 AromaticContact CD2-CE2 3.93Å; W84-F299 HydrophobicContact CD2-CE2 3.93Å; W84-F299 HydrophobicContact CE3-CD2 4.29Å; W84-F299 HydrophobicContact CE3-CE2 4.47Å; W84-F299 AromaticContact CG-CD2 3.9Å; W84-F299 HydrophobicContact CG-CD2 3.9Å; W84-F299 AromaticContact CG-CE2 3.99Å; W84-F299 HydrophobicContact CG-CE2 3.99Å; W84-F299 CarbonylContact O-C 3.56Å; W84-F299 VanDerWaalsContact O-CA 3.32Å; W84-F299 WeakPolarHBondContact O-CA 3.24Å; I86-F299 HydrophobicContact CD1-CE1 4.35Å; I86-F299 HydrophobicContact CD1-CZ 3.84Å; I86-F299 HydrophobicContact CG1-CE1 4.34Å; I86-F299 HydrophobicContact CG1-CZ 3.94Å; I86-F299 HydrophobicContact CG2-CE2 4.24Å; I86-F299 HydrophobicContact CG2-CZ 4.03Å; V271-F299 HydrophobicContact CG1-CB 3.83Å; V271-F299 HydrophobicContact CG1-CD2 4.3Å; V271-F299 HydrophobicContact CG1-CG 4.41Å; M272-F299 PolarHBondContact O-N 3.2Å; W273-F299 HydrophobicContact CB-CB 4.15Å; W273-F299 HydrophobicContact CB-CD1 4.08Å; W273-F299 AromaticContact CD1-CD1 3.82Å; W273-F299 VanDerWaalsContact CD1-O 3.28Å; W273-F299 HydrophobicContact CD2-CD1 4.03Å; W273-F299 HydrophobicContact CD2-CE1 4.37Å; W273-F299 AromaticContact CG-CD1 3.73Å; W273-F299 HydrophobicContact CG-CD1 3.73Å; F299-H301 HydrophobicContact CE1-CB 4.38Å; F299-T314 HydrophobicContact CE1-CG2 3.6Å; F299-T314 HydrophobicContact CZ-CG2 3.92Å; F299-Y318 AromaticContact CE2-CD1 3.74Å; F299-Y318 HydrophobicContact CE2-CD1 3.74Å; F299-Y318 HydrophobicContact CE2-CE1 4.42Å; F299-Y318 AromaticContact CE2-CG 3.84Å; F299-Y318 HydrophobicContact CE2-CG 3.84Å; F299-Y318 AromaticContact CZ-CD1 3.98Å; F299-Y318 HydrophobicContact CZ-CD1 3.98Å; F299-Y318 HydrophobicContact CZ-CD2 4.05Å; F299-Y318 AromaticContact CZ-CG 3.73Å; F299-Y318 HydrophobicContact CZ-CG 3.73Å; F299-I320 HydrophobicContact CD1-CD1 3.69Å; F299-I320 HydrophobicContact CD1-CG1 4.25Å; F299-I320 HydrophobicContact CD2-CG1 4.41Å; F299-I320 HydrophobicContact CE1-CD1 3.77Å; F299-I320 HydrophobicContact CG-CD1 4.1Å; F299-I320 HydrophobicContact CG-CG1 4.15Å; F299-I320 HydrophobicContact CZ-CD1 4.23Å
300	A	98.4	Very high	94.1	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.017	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.3	178.7	0	0	0	0	0	110.8	F83 W84 W85 I86 W134	F83-A300 HydrophobicContact CE2-CB 3.87Å; F83-A300 HydrophobicContact CZ-CB 4.02Å; W84-A300 PolarHBondContact O-N 3.38Å; W85-A300 CarbonylContact C-O 3.6Å; W85-A300 VanDerWaalsContact CA-O 3.23Å; W85-A300 WeakPolarHBondContact CA-O 3.48Å; W85-A300 HydrophobicContact CB-CB 4.31Å; W85-A300 HydrophobicContact CG-CB 4.49Å; I86-A300 PolarHBondContact N-O 2.98Å; W134-A300 HydrophobicContact CH2-CB 3.41Å; W134-A300 VanDerWaalsContact CH2-CB 3.41Å; W134-A300 HydrophobicContact CZ2-CB 3.76Å; W134-A300 HydrophobicContact CZ3-CB 4Å
301	H	98	Very high	94.1	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.046	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129	169.2	-175.5	-1.7	0	0	0	107.7	I86 R129 W273 F299 L303 T314	I86-H301 HydrophobicContact CD1-CB 4.41Å; I86-H301 HydrophobicContact CG1-CB 3.94Å; I86-H301 WeakPolarHBondContact O-CA 3.47Å; I86-H301 PolarHBondContact O-ND1 2.96Å; R129-H301 VanDerWaalsContact CD-O 3.32Å; R129-H301 WeakPolarHBondContact CD-O 3.32Å; R129-H301 PolarHBondContact NE-O 3.27Å; W273-H301 HydrophobicContact CZ2-CB 3.7Å; F299-H301 HydrophobicContact CE1-CB 4.38Å; H301-L303 VanDerWaalsContact C-N 3.34Å; H301-L303 HydrophobicContact CB-CB 4.4Å; H301-L303 PolarHBondContact ND1-N 2.88Å; H301-L303 PolarHBondContact O-N 2.9Å; H301-T314 PolarHBondContact CD2-OG1 3.14Å
302	H	95.5	Very high	94	Very high	46 Å²	46	31.5 Å²	31.5	21%	0.213	16%	0.157	C	C	.	.			trans	-48.3	-55.6	178	-173.6	57.2	0	0	0	112	W85 I86 R129	W85-H302 HydrophobicContact CZ2-CB 3.87Å; I86-H302 PolarHBondContact O-N 2.94Å; R129-H302 PolarHBondContact NE-O 3.05Å; R129-H302 VanDerWaalsContact NE-O 3.13Å; R129-H302 WeakPolarHBondContact O-CA 3.34Å; R129-H302 PolarHBondContact O-ND1 3.45Å
303	L	89.9	Confident	93.9	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.047	18%	0.181	C	C	.	.			trans	39.8	64.3	170.3	-166.6	65.6	0	0	0	112.3	R129 H301 R305 F306 V311	R129-L303 PolarHBondContact NH2-O 2.95Å; H301-L303 VanDerWaalsContact C-N 3.34Å; H301-L303 HydrophobicContact CB-CB 4.4Å; H301-L303 PolarHBondContact ND1-N 2.88Å; H301-L303 PolarHBondContact O-N 2.9Å; L303-R305 VanDerWaalsContact CD1-O 3.3Å; L303-R305 WeakPolarHBondContact CD1-O 3.38Å; L303-R305 WeakPolarHBondContact CG-O 3.25Å; L303-R305 PolarHBondContact O-N 3.2Å; L303-F306 HydrophobicContact CD2-CD2 4.1Å; L303-V311 HydrophobicContact CD2-CG2 3.86Å
304	P	81.8	Confident	94	Very high	108 Å²	108	35.6 Å²	35.6	70%	0.701	18%	0.176	S	C	*	.	S	Bend	trans	-68	-27.7	-169.1	27.5	-33.9	0	0	0	112.3
305	R	80.4	Confident	94.1	Very high	194 Å²	194	34.1 Å²	34.1	73%	0.732	17%	0.17	S	C	*	.	S	Bend	trans	-113.9	139	163.1	-156.1	178.6	-160.7	-179.9	4.8	108.1	L303 E307	L303-R305 VanDerWaalsContact CD1-O 3.3Å; L303-R305 WeakPolarHBondContact CD1-O 3.38Å; L303-R305 WeakPolarHBondContact CG-O 3.25Å; L303-R305 PolarHBondContact O-N 3.2Å; R305-E307 WeakPolarHBondContact CD-OE1 3.32Å; R305-E307 PolarHBondContact O-N 2.86Å
306	F	83.2	Confident	94.1	Very high	56 Å²	56	36 Å²	36	25%	0.246	18%	0.183	C	C	.	.			trans	-79.2	118	178.8	-180	-89.3	0	0	0	110.3	L303 P308 V311 V329 M332	L303-F306 HydrophobicContact CD2-CD2 4.1Å; F306-P308 HydrophobicContact CE1-CG 4.03Å; F306-V311 HydrophobicContact CD2-CG2 4.47Å; F306-V311 HydrophobicContact CE2-CG2 3.73Å; F306-V311 HydrophobicContact CZ-CG2 4.05Å; F306-V329 HydrophobicContact CD2-CG2 4.41Å; F306-V329 HydrophobicContact CE1-CG2 4.33Å; F306-V329 HydrophobicContact CE2-CB 4.42Å; F306-V329 HydrophobicContact CE2-CG1 4.01Å; F306-V329 HydrophobicContact CE2-CG2 3.64Å; F306-V329 HydrophobicContact CZ-CB 4.09Å; F306-V329 HydrophobicContact CZ-CG1 3.69Å; F306-V329 HydrophobicContact CZ-CG2 3.62Å; F306-M332 HydrophobicContact CD1-CE 3.81Å; F306-M332 HydrophobicContact CD1-SD 3.99Å; F306-M332 HydrophobicContact CE1-CB 4.43Å; F306-M332 HydrophobicContact CE1-CE 3.8Å; F306-M332 HydrophobicContact CE1-SD 3.68Å
307	E	90.1	Very high	94.1	Very high	75 Å²	75	43 Å²	43	35%	0.35	21%	0.213	S	C	.	.			trans	-126.9	117.9	179.7	-63.6	-59.6	155.3	0	0	109.6	R305 T309 S310 V311	R305-E307 WeakPolarHBondContact CD-OE1 3.32Å; R305-E307 PolarHBondContact O-N 2.86Å; E307-T309 VanDerWaalsContact C-N 3.31Å; E307-T309 PolarHBondContact O-N 2.82Å; E307-S310 PolarHBondContact O-N 2.88Å; E307-V311 PolarHBondContact O-N 2.91Å
308	P	90.4	Very high	94	Very high	15 Å²	15	44 Å²	44	10%	0.097	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-39.7	-176.1	-26.8	34.8	0	0	0	113.7	F306 V311 L312 M332 L333 N336	F306-P308 HydrophobicContact CE1-CG 4.03Å; P308-V311 PolarHBondContact O-N 2.68Å; P308-V311 VanDerWaalsContact O-N 3.16Å; P308-L312 WeakPolarHBondContact O-CG 3.43Å; P308-L312 PolarHBondContact O-N 2.79Å; P308-M332 HydrophobicContact CG-CB 3.89Å; P308-M332 HydrophobicContact CG-CE 3.95Å; P308-L333 HydrophobicContact CB-CD2 4.16Å; P308-L333 WeakPolarHBondContact O-CD2 3.26Å; P308-N336 WeakPolarHBondContact CB-ND2 3.35Å
309	T	95.1	Very high	93.9	Very high	54 Å²	54	46.3 Å²	46.3	33%	0.331	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-42.7	178.9	50.4	0	0	0	0	111.7	E307 V311 L312 Q313	E307-T309 VanDerWaalsContact C-N 3.31Å; E307-T309 PolarHBondContact O-N 2.82Å; T309-V311 VanDerWaalsContact C-N 3.28Å; T309-V311 PolarHBondContact O-N 3.37Å; T309-L312 PolarHBondContact O-N 3.31Å; T309-Q313 WeakPolarHBondContact O-CB 3.31Å; T309-Q313 VanDerWaalsContact O-CG 3.25Å; T309-Q313 WeakPolarHBondContact O-CG 3.49Å; T309-Q313 PolarHBondContact O-N 3.35Å
310	S	95.8	Very high	93.9	Very high	33 Å²	33	46.3 Å²	46.3	23%	0.231	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-34.8	174.1	-55.9	0	0	0	0	112.3	E307 T314	E307-S310 PolarHBondContact O-N 2.88Å; S310-T314 VanDerWaalsContact O-CB 3.27Å; S310-T314 WeakPolarHBondContact O-CB 3.48Å; S310-T314 PolarHBondContact O-N 2.9Å; S310-T314 PolarHBondContact O-OG1 2.81Å
311	V	96.9	Very high	93.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-45.8	174.6	179.1	0	0	0	0	111.3	W273 L303 F306 E307 P308 T309 Q313 T314 L315 F323 L333	W273-V311 HydrophobicContact CH2-CB 4.09Å; W273-V311 HydrophobicContact CH2-CG1 3.81Å; W273-V311 HydrophobicContact CH2-CG2 4.02Å; W273-V311 HydrophobicContact CZ3-CB 4.39Å; W273-V311 HydrophobicContact CZ3-CG1 3.71Å; L303-V311 HydrophobicContact CD2-CG2 3.86Å; F306-V311 HydrophobicContact CD2-CG2 4.47Å; F306-V311 HydrophobicContact CE2-CG2 3.73Å; F306-V311 HydrophobicContact CZ-CG2 4.05Å; E307-V311 PolarHBondContact O-N 2.91Å; P308-V311 PolarHBondContact O-N 2.68Å; P308-V311 VanDerWaalsContact O-N 3.16Å; T309-V311 VanDerWaalsContact C-N 3.28Å; T309-V311 PolarHBondContact O-N 3.37Å; V311-Q313 PolarHBondContact O-N 2.93Å; V311-T314 PolarHBondContact O-N 3.19Å; V311-L315 HydrophobicContact CG1-CD1 4.25Å; V311-L315 WeakPolarHBondContact O-CG 3.5Å; V311-L315 PolarHBondContact O-N 3.45Å; V311-F323 HydrophobicContact CG1-CE2 4.03Å; V311-F323 HydrophobicContact CG1-CZ 3.81Å; V311-L333 HydrophobicContact CB-CD2 3.93Å; V311-L333 HydrophobicContact CG1-CD1 4.26Å; V311-L333 HydrophobicContact CG1-CD2 3.92Å
312	L	97.2	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-43.9	176.2	-64.9	172.7	0	0	0	111.8	P308 T309 T314 L315 S316 L333 N336 M338 Y341 F343	P308-L312 WeakPolarHBondContact O-CG 3.43Å; P308-L312 PolarHBondContact O-N 2.79Å; T309-L312 PolarHBondContact O-N 3.31Å; L312-T314 VanDerWaalsContact C-N 3.34Å; L312-T314 PolarHBondContact O-N 2.98Å; L312-L315 PolarHBondContact O-N 2.58Å; L312-S316 WeakPolarHBondContact O-CB 3.16Å; L312-S316 PolarHBondContact O-N 3.35Å; L312-L333 HydrophobicContact CD1-CD2 4.49Å; L312-L333 HydrophobicContact CD2-CB 4.42Å; L312-L333 HydrophobicContact CD2-CD2 3.77Å; L312-L333 HydrophobicContact CG-CD2 3.74Å; L312-N336 HydrophobicContact CD1-CB 3.78Å; L312-M338 HydrophobicContact CD1-CG 4.1Å; L312-M338 HydrophobicContact CD2-CE 4.09Å; L312-M338 HydrophobicContact CD2-CG 3.98Å; L312-M338 HydrophobicContact CD2-SD 4.44Å; L312-Y341 HydrophobicContact CB-CD1 4.1Å; L312-Y341 HydrophobicContact CB-CD2 3.79Å; L312-Y341 HydrophobicContact CB-CE1 4.07Å; L312-Y341 HydrophobicContact CB-CE2 3.72Å; L312-Y341 HydrophobicContact CB-CG 3.96Å; L312-Y341 HydrophobicContact CD1-CD2 4.03Å; L312-Y341 HydrophobicContact CD1-CE2 3.78Å; L312-Y341 HydrophobicContact CG-CD2 4.43Å; L312-Y341 HydrophobicContact CG-CE2 4.38Å; L312-F343 HydrophobicContact CD2-CE1 4.22Å; L312-F343 HydrophobicContact CD2-CZ 3.86Å
313	Q	96.5	Very high	94.1	Very high	104 Å²	104	44 Å²	44	49%	0.486	22%	0.222	S	C	.	.	H	α-helix	trans	-58	-45.5	172.6	-74.7	172.1	-2.1	0	0	111.5	T309 V311 S316 K317 Y341	T309-Q313 WeakPolarHBondContact O-CB 3.31Å; T309-Q313 VanDerWaalsContact O-CG 3.25Å; T309-Q313 WeakPolarHBondContact O-CG 3.49Å; T309-Q313 PolarHBondContact O-N 3.35Å; V311-Q313 PolarHBondContact O-N 2.93Å; Q313-S316 PolarHBondContact O-N 3.33Å; Q313-K317 VanDerWaalsContact O-CB 3.29Å; Q313-K317 WeakPolarHBondContact O-CB 3.49Å; Q313-K317 PolarHBondContact O-N 2.91Å; Q313-Y341 HydrophobicContact CB-CE1 4.31Å; Q313-Y341 HydrophobicContact CG-CE1 3.53Å
314	T	97.8	Very high	94.5	Very high	8 Å²	8	43.6 Å²	43.6	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-47.1	-179.9	-60.5	0	0	0	0	111.4	I86 W273 F299 H301 S310 V311 L312 S316 K317 Y318 I320	I86-T314 HydrophobicContact CD1-CG2 4.18Å; W273-T314 HydrophobicContact CE3-CG2 4.06Å; W273-T314 HydrophobicContact CH2-CG2 3.55Å; W273-T314 HydrophobicContact CZ2-CG2 4.22Å; W273-T314 HydrophobicContact CZ3-CG2 3.46Å; W273-T314 VanDerWaalsContact CZ3-CG2 3.46Å; F299-T314 HydrophobicContact CE1-CG2 3.6Å; F299-T314 HydrophobicContact CZ-CG2 3.92Å; H301-T314 PolarHBondContact CD2-OG1 3.14Å; S310-T314 VanDerWaalsContact O-CB 3.27Å; S310-T314 WeakPolarHBondContact O-CB 3.48Å; S310-T314 PolarHBondContact O-N 2.9Å; S310-T314 PolarHBondContact O-OG1 2.81Å; V311-T314 PolarHBondContact O-N 3.19Å; L312-T314 VanDerWaalsContact C-N 3.34Å; L312-T314 PolarHBondContact O-N 2.98Å; T314-S316 PolarHBondContact O-N 3.29Å; T314-K317 PolarHBondContact O-N 2.85Å; T314-Y318 HydrophobicContact CG2-CD2 3.86Å; T314-Y318 WeakPolarHBondContact O-CB 3.19Å; T314-Y318 PolarHBondContact O-N 2.8Å; T314-I320 HydrophobicContact CG2-CD1 3.94Å
315	L	98	Very high	95	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-27.9	174.5	-72.6	173.5	0	0	0	113.4	W273 V311 L312 I320 F323 F343 L346 W364	W273-L315 HydrophobicContact CE3-CD2 3.89Å; W273-L315 HydrophobicContact CE3-CG 4.18Å; W273-L315 HydrophobicContact CZ3-CD2 4.25Å; W273-L315 HydrophobicContact CZ3-CG 4.02Å; V311-L315 HydrophobicContact CG1-CD1 4.25Å; V311-L315 WeakPolarHBondContact O-CG 3.5Å; V311-L315 PolarHBondContact O-N 3.45Å; L312-L315 PolarHBondContact O-N 2.58Å; L315-I320 HydrophobicContact CD2-CB 4.23Å; L315-I320 HydrophobicContact CD2-CD1 4.26Å; L315-I320 HydrophobicContact CD2-CG2 3.9Å; L315-F323 HydrophobicContact CD1-CD1 4.32Å; L315-F323 HydrophobicContact CD1-CD2 4.32Å; L315-F323 HydrophobicContact CD1-CE1 4.39Å; L315-F323 HydrophobicContact CD1-CE2 4.36Å; L315-F323 HydrophobicContact CD1-CG 4.28Å; L315-F323 HydrophobicContact CD1-CZ 4.41Å; L315-F323 HydrophobicContact CD2-CB 4.09Å; L315-F323 HydrophobicContact CD2-CD2 3.78Å; L315-F323 HydrophobicContact CD2-CE2 4.39Å; L315-F323 HydrophobicContact CD2-CG 4Å; L315-F323 HydrophobicContact CG-CD2 4.46Å; L315-F343 HydrophobicContact CB-CD1 3.61Å; L315-F343 HydrophobicContact CB-CE1 3.93Å; L315-L346 HydrophobicContact CD2-CD1 4.35Å; L315-L346 HydrophobicContact CD2-CD2 4.45Å; L315-W364 HydrophobicContact CD1-CH2 4.38Å
316	S	97.1	Very high	95.2	Very high	39 Å²	39	30.4 Å²	30.4	27%	0.273	16%	0.161	S	C	.	.	H	α-helix	trans	-86.6	-26.4	179.2	-165.2	0	0	0	0	113.5	L312 Q313 T314 K342	L312-S316 WeakPolarHBondContact O-CB 3.16Å; L312-S316 PolarHBondContact O-N 3.35Å; Q313-S316 PolarHBondContact O-N 3.33Å; T314-S316 PolarHBondContact O-N 3.29Å; S316-K342 PolarHBondContact OG-N 3.09Å; S316-K342 PolarHBondContact OG-O 2.85Å; S316-K342 VanDerWaalsContact OG-O 3.09Å
317	K	96.9	Very high	95.1	Very high	147 Å²	147	27.7 Å²	27.7	64%	0.639	15%	0.149	S	C	*	.	H	α-helix	trans	-93.5	-41.1	-177.1	-178.6	-177.4	172.2	-156.4	0	112.9	Q313 T314	Q313-K317 VanDerWaalsContact O-CB 3.29Å; Q313-K317 WeakPolarHBondContact O-CB 3.49Å; Q313-K317 PolarHBondContact O-N 2.91Å; T314-K317 PolarHBondContact O-N 2.85Å
318	Y	97.9	Very high	94.5	Very high	20 Å²	20	26.8 Å²	26.8	8%	0.078	15%	0.149	C	C	.	.	S	Bend	trans	-97.3	151.1	-173	-68.5	-84.1	0	0	0	111.6	W84 I86 E92 F299 T314 I320	W84-Y318 AromaticContact CE2-CD1 3.93Å; W84-Y318 AromaticContact CH2-CD1 3.9Å; W84-Y318 HydrophobicContact CH2-CD1 3.9Å; W84-Y318 HydrophobicContact CH2-CE1 4.46Å; W84-Y318 AromaticContact CZ2-CD1 3.4Å; W84-Y318 HydrophobicContact CZ2-CD1 3.4Å; W84-Y318 VanDerWaalsContact CZ2-CD1 3.4Å; W84-Y318 AromaticContact CZ2-CE1 3.59Å; W84-Y318 HydrophobicContact CZ2-CE1 3.59Å; I86-Y318 HydrophobicContact CD1-CD2 4.13Å; I86-Y318 HydrophobicContact CD1-CE2 3.5Å; I86-Y318 VanDerWaalsContact CD1-CE2 3.5Å; I86-Y318 HydrophobicContact CG2-CE1 3.94Å; E92-Y318 WeakPolarHBondContact OE1-CE1 3.19Å; E92-Y318 VanDerWaalsContact OE1-CZ 3.31Å; E92-Y318 PolarHBondContact OE1-OH 3.44Å; F299-Y318 AromaticContact CE2-CD1 3.74Å; F299-Y318 HydrophobicContact CE2-CD1 3.74Å; F299-Y318 HydrophobicContact CE2-CE1 4.42Å; F299-Y318 AromaticContact CE2-CG 3.84Å; F299-Y318 HydrophobicContact CE2-CG 3.84Å; F299-Y318 AromaticContact CZ-CD1 3.98Å; F299-Y318 HydrophobicContact CZ-CD1 3.98Å; F299-Y318 HydrophobicContact CZ-CD2 4.05Å; F299-Y318 AromaticContact CZ-CG 3.73Å; F299-Y318 HydrophobicContact CZ-CG 3.73Å; T314-Y318 HydrophobicContact CG2-CD2 3.86Å; T314-Y318 WeakPolarHBondContact O-CB 3.19Å; T314-Y318 PolarHBondContact O-N 2.8Å; Y318-I320 PolarHBondContact O-N 2.84Å
319	P	97.1	Very high	94.2	Very high	51 Å²	51	26.7 Å²	26.7	33%	0.331	15%	0.148	S	C	.	.			trans	-79	43.1	-173	34.6	-37.8	0	0	0	113.1	W84 V271 T321 S345	W84-P319 HydrophobicContact CH2-CG 3.9Å; W84-P319 HydrophobicContact CZ3-CG 3.53Å; V271-P319 WeakPolarHBondContact CB-O 3.44Å; P319-T321 PolarHBondContact O-N 2.9Å; P319-S345 WeakPolarHBondContact CA-OG 3.29Å
320	I	98.5	Very high	93.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.			trans	-70.3	119.3	-176.7	-61.9	169.9	0	0	0	108.7	V271 W273 F299 T314 L315 Y318 S345 L346	V271-I320 HydrophobicContact CG1-CG1 4.21Å; W273-I320 HydrophobicContact CB-CD1 4.03Å; W273-I320 HydrophobicContact CB-CG1 4.43Å; W273-I320 HydrophobicContact CB-CG2 3.74Å; W273-I320 HydrophobicContact CD2-CD1 4Å; W273-I320 HydrophobicContact CE3-CD1 3.52Å; W273-I320 HydrophobicContact CG-CD1 4.26Å; W273-I320 HydrophobicContact CZ3-CD1 4.24Å; F299-I320 HydrophobicContact CD1-CD1 3.69Å; F299-I320 HydrophobicContact CD1-CG1 4.25Å; F299-I320 HydrophobicContact CD2-CG1 4.41Å; F299-I320 HydrophobicContact CE1-CD1 3.77Å; F299-I320 HydrophobicContact CG-CD1 4.1Å; F299-I320 HydrophobicContact CG-CG1 4.15Å; F299-I320 HydrophobicContact CZ-CD1 4.23Å; T314-I320 HydrophobicContact CG2-CD1 3.94Å; L315-I320 HydrophobicContact CD2-CB 4.23Å; L315-I320 HydrophobicContact CD2-CD1 4.26Å; L315-I320 HydrophobicContact CD2-CG2 3.9Å; Y318-I320 PolarHBondContact O-N 2.84Å; I320-S345 CarbonylContact O-C 3.53Å; I320-L346 WeakPolarHBondContact O-CA 3.28Å; I320-L346 PolarHBondContact O-N 3.39Å
321	T	98.4	Very high	93.4	Very high	9 Å²	9	26 Å²	26	6%	0.055	13%	0.134	C	C	.	.			trans	-97.7	-30.5	-177.5	63.5	0	0	0	0	112.9	D270 V271 P319 S345 K347 H348	D270-T321 VanDerWaalsContact CA-OG1 3.28Å; D270-T321 WeakPolarHBondContact CA-OG1 3.42Å; D270-T321 VanDerWaalsContact CB-OG1 3.25Å; D270-T321 WeakPolarHBondContact CB-OG1 3.4Å; D270-T321 VanDerWaalsContact OD1-CB 3.27Å; D270-T321 WeakPolarHBondContact OD1-CB 3.4Å; D270-T321 PolarHBondContact OD1-OG1 2.88Å; V271-T321 PolarHBondContact N-OG1 2.85Å; V271-T321 PolarHBondContact O-N 2.93Å; V271-T321 PolarHBondContact O-OG1 2.9Å; P319-T321 PolarHBondContact O-N 2.9Å; T321-S345 WeakPolarHBondContact CA-O 3.47Å; T321-K347 HydrophobicContact CG2-CD 4.49Å; T321-K347 PolarHBondContact O-N 3.1Å; T321-H348 PolarHBondContact O-N 3.45Å
322	V	98.6	Very high	92.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.4	177.4	-173.3	0	0	0	0	109.9	L266 V271 M272 W273 H348	L266-V322 HydrophobicContact CD2-CB 3.9Å; L266-V322 HydrophobicContact CD2-CG1 4.32Å; L266-V322 HydrophobicContact CD2-CG2 3.53Å; V271-V322 PolarHBondContact O-N 2.85Å; V271-V322 VanDerWaalsContact O-N 3.16Å; M272-V322 HydrophobicContact SD-CB 3.76Å; M272-V322 HydrophobicContact SD-CG1 3.53Å; M272-V322 VanDerWaalsContact SD-CG1 3.53Å; W273-V322 PolarHBondContact N-O 3.16Å; V322-H348 WeakPolarHBondContact CA-O 3.45Å; V322-H348 HydrophobicContact CG1-CB 4.17Å; V322-H348 HydrophobicContact CG2-CB 4.06Å
323	F	98.6	Very high	92.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.1	177	-177.5	-117	0	0	0	110.9	W273 T275 V311 L315 V329 Y330 L333 L346 H348 C349 V350	W273-F323 HydrophobicContact CB-CD2 4.38Å; W273-F323 HydrophobicContact CD2-CD2 4.26Å; W273-F323 HydrophobicContact CD2-CE2 4.13Å; W273-F323 AromaticContact CE3-CD2 3.84Å; W273-F323 HydrophobicContact CE3-CD2 3.84Å; W273-F323 AromaticContact CE3-CE2 3.71Å; W273-F323 HydrophobicContact CE3-CE2 3.71Å; W273-F323 HydrophobicContact CG-CD2 4.5Å; W273-F323 HydrophobicContact CZ3-CE2 4.13Å; T275-F323 HydrophobicContact CG2-CE2 3.48Å; T275-F323 VanDerWaalsContact CG2-CE2 3.48Å; T275-F323 HydrophobicContact CG2-CZ 3.91Å; V311-F323 HydrophobicContact CG1-CE2 4.03Å; V311-F323 HydrophobicContact CG1-CZ 3.81Å; L315-F323 HydrophobicContact CD1-CD1 4.32Å; L315-F323 HydrophobicContact CD1-CD2 4.32Å; L315-F323 HydrophobicContact CD1-CE1 4.39Å; L315-F323 HydrophobicContact CD1-CE2 4.36Å; L315-F323 HydrophobicContact CD1-CG 4.28Å; L315-F323 HydrophobicContact CD1-CZ 4.41Å; L315-F323 HydrophobicContact CD2-CB 4.09Å; L315-F323 HydrophobicContact CD2-CD2 3.78Å; L315-F323 HydrophobicContact CD2-CE2 4.39Å; L315-F323 HydrophobicContact CD2-CG 4Å; L315-F323 HydrophobicContact CG-CD2 4.46Å; F323-V329 HydrophobicContact CE1-CG1 4.5Å; F323-V329 HydrophobicContact CZ-CG1 4.16Å; F323-Y330 AromaticContact CD1-CE1 3.84Å; F323-Y330 HydrophobicContact CD1-CE1 3.84Å; F323-Y330 AromaticContact CD1-CZ 3.78Å; F323-Y330 WeakPolarHBondContact CD1-OH 3.33Å; F323-Y330 AromaticContact CE1-CE1 3.89Å; F323-Y330 HydrophobicContact CE1-CE1 3.89Å; F323-Y330 AromaticContact CE1-CZ 3.92Å; F323-Y330 PolarHBondContact O-OH 3.15Å; F323-L333 HydrophobicContact CE1-CD1 3.92Å; F323-L333 HydrophobicContact CZ-CD1 4.16Å; F323-L346 HydrophobicContact CB-CD1 3.7Å; F323-H348 PolarHBondContact N-O 3.1Å; F323-C349 WeakPolarHBondContact O-CA 3.2Å; F323-V350 PolarHBondContact O-N 2.94Å
324	C	97.3	Very high	92.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.8	-176.3	168.9	0	0	0	0	110.2	M272 W273 N274 T275 K282 V350	M272-C324 HydrophobicContact CE-CB 3.3Å; M272-C324 HydrophobicContact SD-CB 4.3Å; W273-C324 PolarHBondContact O-N 2.83Å; N274-C324 WeakPolarHBondContact CA-O 3.45Å; N274-C324 HydrophobicContact CB-CB 4.13Å; N274-C324 PolarHBondContact OD1-SG 3.19Å; N274-C324 VanDerWaalsContact OD1-SG 3.35Å; T275-C324 PolarHBondContact N-O 2.81Å; K282-C324 WeakPolarHBondContact CE-SG 3.19Å; K282-C324 PolarHBondContact NZ-SG 3.35Å; C324-V350 HydrophobicContact CB-CG2 3.46Å; C324-V350 VanDerWaalsContact CB-CG2 3.46Å
325	S	93	Very high	91.8	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	175.8	178.5	-155.1	0	0	0	0	113.2	T275 V329 V350 S351 A352	T275-S325 PolarHBondContact OG1-OG 2.79Å; S325-V329 WeakPolarHBondContact OG-CB 3.36Å; S325-V329 WeakPolarHBondContact OG-CG1 3.11Å; S325-V329 WeakPolarHBondContact OG-CG2 3.35Å; S325-V350 PolarHBondContact N-O 3.24Å; S325-S351 VanDerWaalsContact O-CA 3.25Å; S325-S351 WeakPolarHBondContact O-CA 3.46Å; S325-S351 PolarHBondContact O-OG 2.91Å; S325-A352 PolarHBondContact O-N 3.26Å
326	A	84.8	Confident	91.5	Very high	22 Å²	22	34 Å²	34	18%	0.182	17%	0.174	C	C	.	.			trans	-77.9	158.6	172.1	0	0	0	0	0	110.8	T328 V329 Y330	A326-T328 PolarHBondContact O-N 2.97Å; A326-V329 PolarHBondContact O-N 2.87Å; A326-Y330 PolarHBondContact O-N 2.82Å
327	A	80.8	Confident	91.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57	-35	177.2	0	0	0	0	0	112.4	V329 Y330 R331 S351 E354 P355 I356	A327-V329 VanDerWaalsContact C-N 3.3Å; A327-V329 PolarHBondContact O-N 2.93Å; A327-Y330 PolarHBondContact O-N 3.41Å; A327-R331 PolarHBondContact O-N 2.82Å; A327-S351 PolarHBondContact N-OG 3.47Å; A327-E354 HydrophobicContact CB-CB 4.07Å; A327-P355 VanDerWaalsContact CB-O 3.27Å; A327-P355 WeakPolarHBondContact CB-O 3.32Å; A327-I356 HydrophobicContact CB-CB 3.96Å; A327-I356 HydrophobicContact CB-CD1 4.41Å; A327-I356 HydrophobicContact CB-CG1 3.97Å
328	T	77.3	Confident	90.8	Very high	55 Å²	55	29.5 Å²	29.5	34%	0.337	15%	0.154	S	C	.	.	H	α-helix	trans	-55.1	-40.1	172.4	-68.6	0	0	0	0	113.3	A326 R331 M332 E354	A326-T328 PolarHBondContact O-N 2.97Å; T328-R331 WeakPolarHBondContact O-CB 3.39Å; T328-R331 PolarHBondContact O-N 2.87Å; T328-R331 PolarHBondContact OG1-NH2 2.86Å; T328-M332 HydrophobicContact CG2-SD 4.25Å; T328-M332 WeakPolarHBondContact O-CG 3.49Å; T328-M332 PolarHBondContact O-N 3.44Å; T328-M332 VanDerWaalsContact O-N 3.1Å; T328-E354 PolarHBondContact N-OE2 2.84Å; T328-E354 PolarHBondContact OG1-OE2 2.89Å
329	V	85.8	Confident	90.3	Very high	14 Å²	14	31.9 Å²	31.9	9%	0.085	18%	0.178	C	C	.	.	H	α-helix	trans	-68.6	-45.4	178.4	164.2	0	0	0	0	110.8	F306 F323 S325 A326 A327 R331 M332 L333	F306-V329 HydrophobicContact CD2-CG2 4.41Å; F306-V329 HydrophobicContact CE1-CG2 4.33Å; F306-V329 HydrophobicContact CE2-CB 4.42Å; F306-V329 HydrophobicContact CE2-CG1 4.01Å; F306-V329 HydrophobicContact CE2-CG2 3.64Å; F306-V329 HydrophobicContact CZ-CB 4.09Å; F306-V329 HydrophobicContact CZ-CG1 3.69Å; F306-V329 HydrophobicContact CZ-CG2 3.62Å; F323-V329 HydrophobicContact CE1-CG1 4.5Å; F323-V329 HydrophobicContact CZ-CG1 4.16Å; S325-V329 WeakPolarHBondContact OG-CB 3.36Å; S325-V329 WeakPolarHBondContact OG-CG1 3.11Å; S325-V329 WeakPolarHBondContact OG-CG2 3.35Å; A326-V329 PolarHBondContact O-N 2.87Å; A327-V329 VanDerWaalsContact C-N 3.3Å; A327-V329 PolarHBondContact O-N 2.93Å; V329-R331 VanDerWaalsContact C-N 3.3Å; V329-R331 PolarHBondContact O-N 2.87Å; V329-M332 PolarHBondContact O-N 3.37Å; V329-L333 HydrophobicContact CG1-CD1 3.66Å; V329-L333 HydrophobicContact CG1-CG 4.15Å; V329-L333 VanDerWaalsContact O-CG 3.24Å; V329-L333 WeakPolarHBondContact O-CG 3.33Å; V329-L333 PolarHBondContact O-N 3.44Å
330	Y	88.5	Confident	90.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-39.9	175.2	-70.4	-78.2	0	0	0	112.2	F323 A326 A327 M332 L333 V334 C349 V350 I356 W364 I372	F323-Y330 AromaticContact CD1-CE1 3.84Å; F323-Y330 HydrophobicContact CD1-CE1 3.84Å; F323-Y330 AromaticContact CD1-CZ 3.78Å; F323-Y330 WeakPolarHBondContact CD1-OH 3.33Å; F323-Y330 AromaticContact CE1-CE1 3.89Å; F323-Y330 HydrophobicContact CE1-CE1 3.89Å; F323-Y330 AromaticContact CE1-CZ 3.92Å; F323-Y330 PolarHBondContact O-OH 3.15Å; A326-Y330 PolarHBondContact O-N 2.82Å; A327-Y330 PolarHBondContact O-N 3.41Å; Y330-M332 PolarHBondContact O-N 2.83Å; Y330-L333 PolarHBondContact O-N 2.75Å; Y330-V334 WeakPolarHBondContact O-CG1 3.24Å; Y330-V334 WeakPolarHBondContact O-CG2 3.41Å; Y330-V334 PolarHBondContact O-N 3.43Å; Y330-C349 HydrophobicContact CE1-CB 4.32Å; Y330-V350 VanDerWaalsContact CE2-O 3.32Å; Y330-V350 WeakPolarHBondContact CE2-O 3.39Å; Y330-V350 PolarHBondContact OH-N 3.38Å; Y330-V350 PolarHBondContact OH-O 2.85Å; Y330-I356 HydrophobicContact CD2-CD1 4.3Å; Y330-I356 HydrophobicContact CG-CD1 4.38Å; Y330-W364 AromaticContact CD1-CD2 3.9Å; Y330-W364 HydrophobicContact CD1-CD2 3.9Å; Y330-W364 AromaticContact CD1-CE3 3.78Å; Y330-W364 HydrophobicContact CD1-CE3 3.78Å; Y330-W364 HydrophobicContact CD1-CH2 4.33Å; Y330-W364 HydrophobicContact CD1-CZ2 4.43Å; Y330-W364 AromaticContact CD1-CZ3 4Å; Y330-W364 HydrophobicContact CD1-CZ3 4Å; Y330-W364 HydrophobicContact CE1-CD2 4.1Å; Y330-W364 AromaticContact CE1-CE2 3.92Å; Y330-W364 HydrophobicContact CE1-CE3 4.26Å; Y330-W364 HydrophobicContact CE1-CH2 4.13Å; Y330-W364 AromaticContact CE1-CZ2 3.95Å; Y330-W364 HydrophobicContact CE1-CZ2 3.95Å; Y330-W364 HydrophobicContact CE1-CZ3 4.27Å; Y330-I372 HydrophobicContact CD1-CD1 3.46Å; Y330-I372 VanDerWaalsContact CD1-CD1 3.46Å; Y330-I372 HydrophobicContact CD1-CG1 4.21Å; Y330-I372 HydrophobicContact CD2-CD1 4.24Å; Y330-I372 HydrophobicContact CD2-CG2 4.48Å; Y330-I372 HydrophobicContact CE1-CD1 3.84Å; Y330-I372 HydrophobicContact CE1-CG1 4.07Å; Y330-I372 HydrophobicContact CE2-CG2 4.12Å; Y330-I372 HydrophobicContact CG-CD1 3.67Å
331	R	84.6	Confident	89.8	Confident	73 Å²	73	35.8 Å²	35.8	28%	0.275	20%	0.2	S	C	.	.	H	α-helix	trans	-53.1	-50.6	171.9	-79.8	-175.5	-71.8	-95.7	5.2	111.8	A327 T328 V329 V334 Q335 E354 P355 V360	A327-R331 PolarHBondContact O-N 2.82Å; T328-R331 WeakPolarHBondContact O-CB 3.39Å; T328-R331 PolarHBondContact O-N 2.87Å; T328-R331 PolarHBondContact OG1-NH2 2.86Å; V329-R331 VanDerWaalsContact C-N 3.3Å; V329-R331 PolarHBondContact O-N 2.87Å; R331-V334 WeakPolarHBondContact O-CG2 3.31Å; R331-Q335 WeakPolarHBondContact O-CG 3.45Å; R331-Q335 PolarHBondContact O-N 2.89Å; R331-E354 IonicContact CZ-OE2 2.72Å; R331-E354 IonicContact NH2-OE2 3.55Å; R331-E354 PolarHBondContact NH2-OE2 2.89Å; R331-P355 PolarHBondContact NH1-O 3.32Å; R331-V360 HydrophobicContact CB-CG2 4.49Å; R331-V360 HydrophobicContact CG-CG1 4.38Å; R331-V360 HydrophobicContact CG-CG2 3.5Å; R331-V360 VanDerWaalsContact CG-CG2 3.5Å
332	M	82.5	Confident	89.6	Confident	64 Å²	64	41.8 Å²	41.8	32%	0.315	23%	0.225	S	C	.	.	H	α-helix	trans	-66.9	-37.3	179.2	-62.9	172.9	76.3	0	0	112.6	F306 P308 T328 V329 Y330 N336	F306-M332 HydrophobicContact CD1-CE 3.81Å; F306-M332 HydrophobicContact CD1-SD 3.99Å; F306-M332 HydrophobicContact CE1-CB 4.43Å; F306-M332 HydrophobicContact CE1-CE 3.8Å; F306-M332 HydrophobicContact CE1-SD 3.68Å; P308-M332 HydrophobicContact CG-CB 3.89Å; P308-M332 HydrophobicContact CG-CE 3.95Å; T328-M332 HydrophobicContact CG2-SD 4.25Å; T328-M332 WeakPolarHBondContact O-CG 3.49Å; T328-M332 PolarHBondContact O-N 3.44Å; T328-M332 VanDerWaalsContact O-N 3.1Å; V329-M332 PolarHBondContact O-N 3.37Å; Y330-M332 PolarHBondContact O-N 2.83Å; M332-N336 PolarHBondContact O-ND2 3.34Å
333	L	92.8	Very high	89.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-44.6	179.1	-66.4	169.4	0	0	0	112.1	P308 V311 L312 F323 V329 Y330 Q335 N336 W364	P308-L333 HydrophobicContact CB-CD2 4.16Å; P308-L333 WeakPolarHBondContact O-CD2 3.26Å; V311-L333 HydrophobicContact CB-CD2 3.93Å; V311-L333 HydrophobicContact CG1-CD1 4.26Å; V311-L333 HydrophobicContact CG1-CD2 3.92Å; L312-L333 HydrophobicContact CD1-CD2 4.49Å; L312-L333 HydrophobicContact CD2-CB 4.42Å; L312-L333 HydrophobicContact CD2-CD2 3.77Å; L312-L333 HydrophobicContact CG-CD2 3.74Å; F323-L333 HydrophobicContact CE1-CD1 3.92Å; F323-L333 HydrophobicContact CZ-CD1 4.16Å; V329-L333 HydrophobicContact CG1-CD1 3.66Å; V329-L333 HydrophobicContact CG1-CG 4.15Å; V329-L333 VanDerWaalsContact O-CG 3.24Å; V329-L333 WeakPolarHBondContact O-CG 3.33Å; V329-L333 PolarHBondContact O-N 3.44Å; Y330-L333 PolarHBondContact O-N 2.75Å; L333-Q335 PolarHBondContact O-N 3.25Å; L333-N336 PolarHBondContact O-N 2.86Å; L333-N336 VanDerWaalsContact O-N 3.09Å; L333-W364 HydrophobicContact CB-CZ3 4.11Å; L333-W364 HydrophobicContact CD1-CH2 4.41Å; L333-W364 HydrophobicContact CD1-CZ3 3.98Å
334	V	91.6	Very high	89.2	Confident	10 Å²	10	52.3 Å²	52.3	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-70.3	-18.1	-178.2	-60.7	0	0	0	0	113.7	Y330 R331 N336 M338 V360 K363 W364 K367	Y330-V334 WeakPolarHBondContact O-CG1 3.24Å; Y330-V334 WeakPolarHBondContact O-CG2 3.41Å; Y330-V334 PolarHBondContact O-N 3.43Å; R331-V334 WeakPolarHBondContact O-CG2 3.31Å; V334-N336 VanDerWaalsContact C-N 3.31Å; V334-M338 HydrophobicContact CG1-SD 4.36Å; V334-V360 HydrophobicContact CG1-CG1 4.49Å; V334-V360 HydrophobicContact CG2-CG1 4.26Å; V334-K363 HydrophobicContact CB-CB 3.9Å; V334-K363 HydrophobicContact CG1-CB 4.04Å; V334-K363 HydrophobicContact CG2-CB 4.26Å; V334-K363 HydrophobicContact CG2-CD 4.27Å; V334-W364 HydrophobicContact CG1-CB 3.99Å; V334-W364 HydrophobicContact CG1-CE3 4.08Å; V334-K367 PolarHBondContact O-NZ 2.89Å
335	Q	87.7	Confident	89.2	Confident	157 Å²	157	54.1 Å²	54.1	73%	0.734	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.6	171.8	-72.6	171.1	-18.5	0	0	113.4	R331 L333	R331-Q335 WeakPolarHBondContact O-CG 3.45Å; R331-Q335 PolarHBondContact O-N 2.89Å; L333-Q335 PolarHBondContact O-N 3.25Å
336	N	91.9	Very high	89.4	Confident	49 Å²	49	54.7 Å²	54.7	26%	0.262	29%	0.286	S	S	.	.	S	Bend	trans	-88.4	164.4	-179.9	-80.4	-102.5	0	0	0	112.4	P308 L312 M332 L333 V334 M338 K367	P308-N336 WeakPolarHBondContact CB-ND2 3.35Å; L312-N336 HydrophobicContact CD1-CB 3.78Å; M332-N336 PolarHBondContact O-ND2 3.34Å; L333-N336 PolarHBondContact O-N 2.86Å; L333-N336 VanDerWaalsContact O-N 3.09Å; V334-N336 VanDerWaalsContact C-N 3.31Å; N336-M338 PolarHBondContact O-N 2.89Å; N336-K367 PolarHBondContact O-NZ 2.76Å
337	D	89.5	Confident	90	Very high	90 Å²	90	59 Å²	59	48%	0.481	30%	0.301	S	S	.	.			trans	-68.7	95.6	167.5	175.3	24.9	0	0	0	110.2	A339 S340 Y341	D337-A339 WeakPolarHBondContact OD1-CB 3.4Å; D337-A339 PolarHBondContact OD1-N 2.89Å; D337-S340 VanDerWaalsContact OD2-CB 3.28Å; D337-S340 WeakPolarHBondContact OD2-CB 3.37Å; D337-S340 PolarHBondContact OD2-OG 3.28Å; D337-Y341 VanDerWaalsContact O-CD2 3.28Å; D337-Y341 WeakPolarHBondContact O-CD2 3.35Å; D337-Y341 WeakPolarHBondContact O-CE2 3.46Å
338	M	90	Very high	90.8	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.302	C	S	.	.			trans	-84.1	-13.5	174.3	-61.8	-179	61.1	0	0	112.9	L312 V334 N336 S340 Y341 F343 W364 K367 T368	L312-M338 HydrophobicContact CD1-CG 4.1Å; L312-M338 HydrophobicContact CD2-CE 4.09Å; L312-M338 HydrophobicContact CD2-CG 3.98Å; L312-M338 HydrophobicContact CD2-SD 4.44Å; V334-M338 HydrophobicContact CG1-SD 4.36Å; N336-M338 PolarHBondContact O-N 2.89Å; M338-S340 VanDerWaalsContact C-N 3.3Å; M338-S340 PolarHBondContact O-N 2.74Å; M338-Y341 PolarHBondContact O-N 3.46Å; M338-Y341 VanDerWaalsContact O-N 3.13Å; M338-F343 HydrophobicContact CE-CE2 3.83Å; M338-F343 HydrophobicContact CE-CZ 4.04Å; M338-W364 HydrophobicContact CE-CD2 4.48Å; M338-W364 HydrophobicContact CE-CE3 3.65Å; M338-W364 HydrophobicContact CE-CH2 4.05Å; M338-W364 HydrophobicContact CE-CZ3 3.41Å; M338-W364 VanDerWaalsContact CE-CZ3 3.41Å; M338-W364 HydrophobicContact SD-CE3 4.23Å; M338-W364 HydrophobicContact SD-CZ3 4.25Å; M338-K367 HydrophobicContact CB-CB 4.24Å; M338-K367 HydrophobicContact CB-CD 3.95Å; M338-K367 HydrophobicContact CB-CG 4.44Å; M338-K367 HydrophobicContact CE-CB 4.2Å; M338-K367 HydrophobicContact CG-CD 4.02Å; M338-K367 HydrophobicContact SD-CB 4.08Å; M338-K367 HydrophobicContact SD-CD 3.62Å; M338-K367 HydrophobicContact SD-CG 4.47Å; M338-T368 HydrophobicContact CE-CG2 3.45Å; M338-T368 VanDerWaalsContact CE-CG2 3.45Å
339	A	88	Confident	91.8	Very high	70 Å²	70	56.5 Å²	56.5	58%	0.579	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-31.7	-174.6	0	0	0	0	0	111.9	D337 Y341 K342	D337-A339 WeakPolarHBondContact OD1-CB 3.4Å; D337-A339 PolarHBondContact OD1-N 2.89Å; A339-Y341 PolarHBondContact O-N 2.97Å; A339-K342 PolarHBondContact O-NZ 3.3Å
340	S	91.4	Very high	92.4	Very high	90 Å²	90	55.9 Å²	55.9	63%	0.629	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.1	171.4	-70.4	0	0	0	0	115	D337 M338	D337-S340 VanDerWaalsContact OD2-CB 3.28Å; D337-S340 WeakPolarHBondContact OD2-CB 3.37Å; D337-S340 PolarHBondContact OD2-OG 3.28Å; M338-S340 VanDerWaalsContact C-N 3.3Å; M338-S340 PolarHBondContact O-N 2.74Å
341	Y	93.4	Very high	92.6	Very high	43 Å²	43	55.9 Å²	55.9	17%	0.169	28%	0.282	C	S	.	.			trans	-111.7	153.8	-179.3	-60	-79.5	0	0	0	112.2	L312 Q313 D337 M338 A339 F343	L312-Y341 HydrophobicContact CB-CD1 4.1Å; L312-Y341 HydrophobicContact CB-CD2 3.79Å; L312-Y341 HydrophobicContact CB-CE1 4.07Å; L312-Y341 HydrophobicContact CB-CE2 3.72Å; L312-Y341 HydrophobicContact CB-CG 3.96Å; L312-Y341 HydrophobicContact CD1-CD2 4.03Å; L312-Y341 HydrophobicContact CD1-CE2 3.78Å; L312-Y341 HydrophobicContact CG-CD2 4.43Å; L312-Y341 HydrophobicContact CG-CE2 4.38Å; Q313-Y341 HydrophobicContact CB-CE1 4.31Å; Q313-Y341 HydrophobicContact CG-CE1 3.53Å; D337-Y341 VanDerWaalsContact O-CD2 3.28Å; D337-Y341 WeakPolarHBondContact O-CD2 3.35Å; D337-Y341 WeakPolarHBondContact O-CE2 3.46Å; M338-Y341 PolarHBondContact O-N 3.46Å; M338-Y341 VanDerWaalsContact O-N 3.13Å; A339-Y341 PolarHBondContact O-N 2.97Å; Y341-F343 HydrophobicContact CG-CE1 4.46Å; Y341-F343 HydrophobicContact CG-CZ 4.46Å
342	K	93.1	Very high	92.7	Very high	135 Å²	135	53 Å²	53	59%	0.587	27%	0.274	S	S	*	.			trans	-135.1	101.4	177.5	-60.3	-63.5	169.5	-136.6	0	110.4	S316 A339 K344	S316-K342 PolarHBondContact OG-N 3.09Å; S316-K342 PolarHBondContact OG-O 2.85Å; S316-K342 VanDerWaalsContact OG-O 3.09Å; A339-K342 PolarHBondContact O-NZ 3.3Å; K342-K344 VanDerWaalsContact C-N 3.26Å; K342-K344 PolarHBondContact O-N 3.16Å
343	F	95.1	Very high	92.4	Very high	30 Å²	30	52.2 Å²	52.2	13%	0.132	28%	0.282	C	S	.	.			trans	-79.5	66.4	-176.9	-44	-62	0	0	0	111.9	L312 L315 M338 Y341 S345 L346 T368	L312-F343 HydrophobicContact CD2-CE1 4.22Å; L312-F343 HydrophobicContact CD2-CZ 3.86Å; L315-F343 HydrophobicContact CB-CD1 3.61Å; L315-F343 HydrophobicContact CB-CE1 3.93Å; M338-F343 HydrophobicContact CE-CE2 3.83Å; M338-F343 HydrophobicContact CE-CZ 4.04Å; Y341-F343 HydrophobicContact CG-CE1 4.46Å; Y341-F343 HydrophobicContact CG-CZ 4.46Å; F343-S345 PolarHBondContact O-N 3.26Å; F343-L346 HydrophobicContact CB-CB 3.85Å; F343-L346 HydrophobicContact CB-CD2 4.15Å; F343-L346 HydrophobicContact CG-CD2 4.41Å; F343-L346 PolarHBondContact O-N 3.28Å; F343-T368 HydrophobicContact CD2-CG2 4.02Å; F343-T368 HydrophobicContact CE2-CG2 3.9Å
344	K	94.5	Very high	91.6	Very high	191 Å²	191	54.5 Å²	54.5	83%	0.83	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.7	-170.2	-65.9	-179.9	-178.6	177.8	0	115.1	K342	K342-K344 VanDerWaalsContact C-N 3.26Å; K342-K344 PolarHBondContact O-N 3.16Å
345	S	97.3	Very high	90.7	Very high	39 Å²	39	57.3 Å²	57.3	27%	0.273	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-13.8	-173.3	-59.8	0	0	0	0	114.1	P319 I320 T321 F343	P319-S345 WeakPolarHBondContact CA-OG 3.29Å; I320-S345 CarbonylContact O-C 3.53Å; T321-S345 WeakPolarHBondContact CA-O 3.47Å; F343-S345 PolarHBondContact O-N 3.26Å
346	L	98.1	Very high	90.2	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.073	28%	0.278	C	S	.	.			trans	-75.3	126.3	-170.2	-171.4	62.4	0	0	0	110.7	L315 I320 F323 F343 W364 L370	L315-L346 HydrophobicContact CD2-CD1 4.35Å; L315-L346 HydrophobicContact CD2-CD2 4.45Å; I320-L346 WeakPolarHBondContact O-CA 3.28Å; I320-L346 PolarHBondContact O-N 3.39Å; F323-L346 HydrophobicContact CB-CD1 3.7Å; F343-L346 HydrophobicContact CB-CB 3.85Å; F343-L346 HydrophobicContact CB-CD2 4.15Å; F343-L346 HydrophobicContact CG-CD2 4.41Å; F343-L346 PolarHBondContact O-N 3.28Å; L346-W364 HydrophobicContact CD2-CZ2 4.15Å; L346-L370 HydrophobicContact CB-CD1 4.17Å; L346-L370 HydrophobicContact CD2-CD1 3.89Å; L346-L370 HydrophobicContact CG-CD1 3.63Å
347	K	96.8	Very high	89.5	Confident	113 Å²	113	50.1 Å²	50.1	49%	0.491	28%	0.28	S	S	.	.			trans	-124.3	-26	-173.7	-63	169	-167.7	171.1	0	113.4	T321	T321-K347 HydrophobicContact CG2-CD 4.49Å; T321-K347 PolarHBondContact O-N 3.1Å
348	H	97.9	Very high	88.9	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.014	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	131.5	-173.6	-167.3	49.5	0	0	0	110.9	W263 L264 T321 V322 F323 V350 Y373 K389	W263-H348 PolarHBondContact O-NE2 3.4Å; L264-H348 PolarHBondContact O-CD2 3.17Å; L264-H348 VanDerWaalsContact O-CD2 3.25Å; T321-H348 PolarHBondContact O-N 3.45Å; V322-H348 WeakPolarHBondContact CA-O 3.45Å; V322-H348 HydrophobicContact CG1-CB 4.17Å; V322-H348 HydrophobicContact CG2-CB 4.06Å; F323-H348 PolarHBondContact N-O 3.1Å; H348-V350 VanDerWaalsContact NE2-CG1 3.33Å; H348-V350 WeakPolarHBondContact NE2-CG1 3.31Å; H348-Y373 AromaticContact CE1-CD2 3.33Å; H348-Y373 WeakPolarHBondContact CE1-CD2 3.23Å; H348-Y373 AromaticContact CE1-CE2 3.72Å; H348-Y373 AromaticContact CE1-CG 3.58Å; H348-Y373 AromaticContact ND1-CD2 3.57Å; H348-Y373 AromaticContact ND1-CE2 3.66Å; H348-K389 VanDerWaalsContact ND1-CE 3.27Å; H348-K389 WeakPolarHBondContact ND1-CE 3.45Å
349	C	98.3	Very high	88.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.4	179.3	-60.1	0	0	0	0	108.7	F323 Y330 D371 I372 Y373	F323-C349 WeakPolarHBondContact O-CA 3.2Å; Y330-C349 HydrophobicContact CE1-CB 4.32Å; C349-D371 WeakPolarHBondContact CB-O 3.46Å; C349-I372 HydrophobicContact CB-CG1 4.48Å; C349-I372 WeakPolarHBondContact O-CA 3.27Å; C349-Y373 PolarHBondContact O-N 3.14Å
350	V	97.3	Very high	88.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.7	179.5	-53.5	0	0	0	0	110.9	W263 L264 F323 C324 S325 Y330 H348 Y373	W263-V350 HydrophobicContact CH2-CB 4.22Å; W263-V350 HydrophobicContact CH2-CG2 3.9Å; W263-V350 HydrophobicContact CZ2-CB 3.62Å; W263-V350 HydrophobicContact CZ2-CG1 4.42Å; W263-V350 HydrophobicContact CZ2-CG2 3.83Å; W263-V350 HydrophobicContact CZ3-CG2 4.47Å; L264-V350 HydrophobicContact CD2-CG1 4.25Å; L264-V350 HydrophobicContact CD2-CG2 3.67Å; F323-V350 PolarHBondContact O-N 2.94Å; C324-V350 HydrophobicContact CB-CG2 3.46Å; C324-V350 VanDerWaalsContact CB-CG2 3.46Å; S325-V350 PolarHBondContact N-O 3.24Å; Y330-V350 VanDerWaalsContact CE2-O 3.32Å; Y330-V350 WeakPolarHBondContact CE2-O 3.39Å; Y330-V350 PolarHBondContact OH-N 3.38Å; Y330-V350 PolarHBondContact OH-O 2.85Å; H348-V350 VanDerWaalsContact NE2-CG1 3.33Å; H348-V350 WeakPolarHBondContact NE2-CG1 3.31Å; V350-Y373 WeakPolarHBondContact CA-O 3.49Å
351	S	92.1	Very high	88.1	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143	174.3	-171.3	0	0	0	0	112.3	S325 A327 Y373 E374 G375	S325-S351 VanDerWaalsContact O-CA 3.25Å; S325-S351 WeakPolarHBondContact O-CA 3.46Å; S325-S351 PolarHBondContact O-OG 2.91Å; A327-S351 PolarHBondContact N-OG 3.47Å; S351-Y373 PolarHBondContact N-O 2.62Å; S351-Y373 VanDerWaalsContact N-O 3.09Å; S351-E374 CarbonylContact O-C 3.53Å; S351-E374 WeakPolarHBondContact O-CA 2.98Å; S351-G375 PolarHBondContact O-N 3.43Å
352	A	87.1	Confident	88	Confident	13 Å²	13	49.6 Å²	49.6	11%	0.107	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	157.4	176.7	0	0	0	0	0	112.7	W263 S325 G375	W263-A352 HydrophobicContact CH2-CB 3.64Å; W263-A352 HydrophobicContact CZ2-CB 3.98Å; S325-A352 PolarHBondContact O-N 3.26Å; A352-G375 WeakPolarHBondContact CA-O 3.22Å; A352-G375 WeakPolarHBondContact CB-O 3.44Å
353	G	76.3	Confident	87.9	Confident	47 Å²	47	47.4 Å²	47.4	49%	0.485	26%	0.255	S	S	.	.	S	Bend	trans	99.1	-13.3	170.9	0	0	0	0	0	115.6	K572	G353-K572 PolarHBondContact O-NZ 3.41Å
354	E	75.4	Confident	87.8	Confident	48 Å²	48	46 Å²	46	22%	0.224	25%	0.248	C	C	.	.	S	Bend	trans	-151.5	148.6	175.5	-74.1	163.5	-152	0	0	108.4	A327 T328 R331	A327-E354 HydrophobicContact CB-CB 4.07Å; T328-E354 PolarHBondContact N-OE2 2.84Å; T328-E354 PolarHBondContact OG1-OE2 2.89Å; R331-E354 IonicContact CZ-OE2 2.72Å; R331-E354 IonicContact NH2-OE2 3.55Å; R331-E354 PolarHBondContact NH2-OE2 2.89Å
355	P	73.6	Confident	87.8	Confident	69 Å²	69	42 Å²	42	45%	0.448	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-60.4	141.7	168.7	-21.3	33.2	0	0	0	112.3	A327 R331 F473	A327-P355 VanDerWaalsContact CB-O 3.27Å; A327-P355 WeakPolarHBondContact CB-O 3.32Å; R331-P355 PolarHBondContact NH1-O 3.32Å; P355-F473 HydrophobicContact CG-CD1 4.37Å
356	I	76.8	Confident	87.6	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-98.3	144.1	167.5	-152.1	162.6	0	0	0	110.5	A327 Y330 V360 T361 I372 E374	A327-I356 HydrophobicContact CB-CB 3.96Å; A327-I356 HydrophobicContact CB-CD1 4.41Å; A327-I356 HydrophobicContact CB-CG1 3.97Å; Y330-I356 HydrophobicContact CD2-CD1 4.3Å; Y330-I356 HydrophobicContact CG-CD1 4.38Å; I356-V360 HydrophobicContact CD1-CB 4.47Å; I356-V360 HydrophobicContact CD1-CG1 3.91Å; I356-V360 HydrophobicContact CG1-CB 4.03Å; I356-V360 HydrophobicContact CG1-CG1 3.93Å; I356-T361 HydrophobicContact CB-CG2 4.42Å; I356-T361 HydrophobicContact CD1-CG2 3.95Å; I356-T361 HydrophobicContact CG1-CG2 4.09Å; I356-T361 HydrophobicContact CG2-CG2 3.45Å; I356-T361 VanDerWaalsContact CG2-CG2 3.45Å; I356-I372 HydrophobicContact CD1-CB 4.41Å; I356-I372 HydrophobicContact CD1-CD1 3.59Å; I356-I372 HydrophobicContact CD1-CG2 3.95Å; I356-E374 HydrophobicContact CB-CG 4.49Å; I356-E374 HydrophobicContact CG2-CG 3.7Å; I356-E374 WeakPolarHBondContact CG2-OE1 3.47Å; I356-E374 WeakPolarHBondContact CG2-OE2 3.49Å; I356-E374 PolarHBondContact N-OE2 3.2Å; I356-E374 VanDerWaalsContact N-OE2 3.13Å
357	T	76.8	Confident	87.3	Confident	48 Å²	48	49.5 Å²	49.5	29%	0.294	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-86	148.9	175.7	53.1	0	0	0	0	110.5	D359 V360 T361	T357-D359 VanDerWaalsContact C-N 3.27Å; T357-D359 PolarHBondContact O-N 3.32Å; T357-V360 PolarHBondContact O-N 3.36Å; T357-V360 VanDerWaalsContact O-N 3.1Å; T357-V360 WeakPolarHBondContact OG1-CG2 3.41Å; T357-T361 PolarHBondContact O-N 2.97Å
358	P	78.9	Confident	87.2	Confident	72 Å²	72	45.6 Å²	45.6	47%	0.468	25%	0.246	S	C	.	.	H	α-helix	trans	-55.3	-39.6	178.3	-27.3	35.5	0	0	0	113.6	V360 T361 E362 P395	P358-V360 VanDerWaalsContact C-N 3.27Å; P358-V360 PolarHBondContact O-N 3.21Å; P358-T361 PolarHBondContact O-N 3.33Å; P358-T361 VanDerWaalsContact O-N 3.16Å; P358-T361 PolarHBondContact O-OG1 2.8Å; P358-E362 WeakPolarHBondContact O-CB 3.43Å; P358-E362 PolarHBondContact O-N 2.91Å; P358-P395 HydrophobicContact CB-CB 4.1Å; P358-P395 HydrophobicContact CG-CB 3.95Å
359	D	80.4	Confident	87	Confident	77 Å²	77	48.5 Å²	48.5	41%	0.412	28%	0.277	S	S	.	.	H	α-helix	trans	-53.1	-41.1	175.7	172.4	79.6	0	0	0	113.2	T357 K363	T357-D359 VanDerWaalsContact C-N 3.27Å; T357-D359 PolarHBondContact O-N 3.32Å; D359-K363 WeakPolarHBondContact O-CB 3.44Å; D359-K363 VanDerWaalsContact O-CG 3.29Å; D359-K363 WeakPolarHBondContact O-CG 3.38Å; D359-K363 PolarHBondContact O-N 2.75Å; D359-K363 WeakPolarHBondContact OD1-CE 3.33Å; D359-K363 IonicContact OD1-NZ 3.65Å; D359-K363 PolarHBondContact OD1-NZ 3.13Å; D359-K363 WeakPolarHBondContact OD2-CD 3.29Å; D359-K363 WeakPolarHBondContact OD2-CE 3.41Å; D359-K363 IonicContact OD2-NZ 2.75Å; D359-K363 PolarHBondContact OD2-NZ 2.76Å
360	V	83.3	Confident	86.8	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-71.9	-40	-179.2	177	0	0	0	0	110.9	R331 V334 I356 T357 P358 W364	R331-V360 HydrophobicContact CB-CG2 4.49Å; R331-V360 HydrophobicContact CG-CG1 4.38Å; R331-V360 HydrophobicContact CG-CG2 3.5Å; R331-V360 VanDerWaalsContact CG-CG2 3.5Å; V334-V360 HydrophobicContact CG1-CG1 4.49Å; V334-V360 HydrophobicContact CG2-CG1 4.26Å; I356-V360 HydrophobicContact CD1-CB 4.47Å; I356-V360 HydrophobicContact CD1-CG1 3.91Å; I356-V360 HydrophobicContact CG1-CB 4.03Å; I356-V360 HydrophobicContact CG1-CG1 3.93Å; T357-V360 PolarHBondContact O-N 3.36Å; T357-V360 VanDerWaalsContact O-N 3.1Å; T357-V360 WeakPolarHBondContact OG1-CG2 3.41Å; P358-V360 VanDerWaalsContact C-N 3.27Å; P358-V360 PolarHBondContact O-N 3.21Å; V360-W364 VanDerWaalsContact O-CB 3.26Å; V360-W364 WeakPolarHBondContact O-CB 2.96Å; V360-W364 PolarHBondContact O-N 3.32Å
361	T	88.5	Confident	86.8	Confident	19 Å²	19	52.3 Å²	52.3	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-70.1	-36.5	177.9	66.5	0	0	0	0	111.4	I356 T357 P358 R365 I372	I356-T361 HydrophobicContact CB-CG2 4.42Å; I356-T361 HydrophobicContact CD1-CG2 3.95Å; I356-T361 HydrophobicContact CG1-CG2 4.09Å; I356-T361 HydrophobicContact CG2-CG2 3.45Å; I356-T361 VanDerWaalsContact CG2-CG2 3.45Å; T357-T361 PolarHBondContact O-N 2.97Å; P358-T361 PolarHBondContact O-N 3.33Å; P358-T361 VanDerWaalsContact O-N 3.16Å; P358-T361 PolarHBondContact O-OG1 2.8Å; T361-R365 VanDerWaalsContact O-CB 3.32Å; T361-R365 WeakPolarHBondContact O-CB 3.4Å; T361-R365 PolarHBondContact O-N 3.37Å; T361-I372 HydrophobicContact CG2-CB 4.29Å; T361-I372 HydrophobicContact CG2-CD1 4.37Å
362	E	90.2	Very high	87	Confident	112 Å²	112	52.5 Å²	52.5	52%	0.523	30%	0.298	S	S	.	.	H	α-helix	trans	-67.1	-49.6	174	-179.2	169.2	-176.8	0	0	111.9	P358 W364 R365 N366	P358-E362 WeakPolarHBondContact O-CB 3.43Å; P358-E362 PolarHBondContact O-N 2.91Å; E362-W364 VanDerWaalsContact C-N 3.28Å; E362-W364 PolarHBondContact O-N 3.17Å; E362-R365 PolarHBondContact O-N 2.84Å; E362-N366 WeakPolarHBondContact CG-ND2 3.5Å; E362-N366 WeakPolarHBondContact O-CB 3.44Å; E362-N366 VanDerWaalsContact O-CG 3.23Å; E362-N366 PolarHBondContact O-N 2.64Å; E362-N366 PolarHBondContact O-ND2 3.39Å
363	K	91.2	Very high	87.4	Confident	89 Å²	89	52.2 Å²	52.2	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-58.8	-40.4	176	-75.9	170.8	-178.8	158.6	0	112	V334 D359 K367	V334-K363 HydrophobicContact CB-CB 3.9Å; V334-K363 HydrophobicContact CG1-CB 4.04Å; V334-K363 HydrophobicContact CG2-CB 4.26Å; V334-K363 HydrophobicContact CG2-CD 4.27Å; D359-K363 WeakPolarHBondContact O-CB 3.44Å; D359-K363 VanDerWaalsContact O-CG 3.29Å; D359-K363 WeakPolarHBondContact O-CG 3.38Å; D359-K363 PolarHBondContact O-N 2.75Å; D359-K363 WeakPolarHBondContact OD1-CE 3.33Å; D359-K363 IonicContact OD1-NZ 3.65Å; D359-K363 PolarHBondContact OD1-NZ 3.13Å; D359-K363 WeakPolarHBondContact OD2-CD 3.29Å; D359-K363 WeakPolarHBondContact OD2-CE 3.41Å; D359-K363 IonicContact OD2-NZ 2.75Å; D359-K363 PolarHBondContact OD2-NZ 2.76Å; K363-K367 VanDerWaalsContact O-CB 3.31Å; K363-K367 WeakPolarHBondContact O-CB 3.49Å; K363-K367 WeakPolarHBondContact O-CG 3.44Å; K363-K367 PolarHBondContact O-N 2.88Å
364	W	94.3	Very high	88.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-48.1	175	-176.8	-94.7	0	0	0	111.8	L315 Y330 L333 V334 M338 L346 V360 E362 N366 K367 T368 L370 I372	L315-W364 HydrophobicContact CD1-CH2 4.38Å; Y330-W364 AromaticContact CD1-CD2 3.9Å; Y330-W364 HydrophobicContact CD1-CD2 3.9Å; Y330-W364 AromaticContact CD1-CE3 3.78Å; Y330-W364 HydrophobicContact CD1-CE3 3.78Å; Y330-W364 HydrophobicContact CD1-CH2 4.33Å; Y330-W364 HydrophobicContact CD1-CZ2 4.43Å; Y330-W364 AromaticContact CD1-CZ3 4Å; Y330-W364 HydrophobicContact CD1-CZ3 4Å; Y330-W364 HydrophobicContact CE1-CD2 4.1Å; Y330-W364 AromaticContact CE1-CE2 3.92Å; Y330-W364 HydrophobicContact CE1-CE3 4.26Å; Y330-W364 HydrophobicContact CE1-CH2 4.13Å; Y330-W364 AromaticContact CE1-CZ2 3.95Å; Y330-W364 HydrophobicContact CE1-CZ2 3.95Å; Y330-W364 HydrophobicContact CE1-CZ3 4.27Å; L333-W364 HydrophobicContact CB-CZ3 4.11Å; L333-W364 HydrophobicContact CD1-CH2 4.41Å; L333-W364 HydrophobicContact CD1-CZ3 3.98Å; V334-W364 HydrophobicContact CG1-CB 3.99Å; V334-W364 HydrophobicContact CG1-CE3 4.08Å; M338-W364 HydrophobicContact CE-CD2 4.48Å; M338-W364 HydrophobicContact CE-CE3 3.65Å; M338-W364 HydrophobicContact CE-CH2 4.05Å; M338-W364 HydrophobicContact CE-CZ3 3.41Å; M338-W364 VanDerWaalsContact CE-CZ3 3.41Å; M338-W364 HydrophobicContact SD-CE3 4.23Å; M338-W364 HydrophobicContact SD-CZ3 4.25Å; L346-W364 HydrophobicContact CD2-CZ2 4.15Å; V360-W364 VanDerWaalsContact O-CB 3.26Å; V360-W364 WeakPolarHBondContact O-CB 2.96Å; V360-W364 PolarHBondContact O-N 3.32Å; E362-W364 VanDerWaalsContact C-N 3.28Å; E362-W364 PolarHBondContact O-N 3.17Å; W364-N366 PolarHBondContact O-N 3.31Å; W364-K367 PolarHBondContact O-N 2.95Å; W364-T368 HydrophobicContact CD2-CG2 3.96Å; W364-T368 HydrophobicContact CE3-CG2 4.29Å; W364-T368 HydrophobicContact CG-CG2 4.46Å; W364-T368 HydrophobicContact CH2-CG2 4.27Å; W364-T368 HydrophobicContact CZ2-CG2 3.93Å; W364-T368 HydrophobicContact CZ3-CG2 4.44Å; W364-T368 PolarHBondContact NE1-OG1 2.9Å; W364-T368 WeakPolarHBondContact O-CB 3.22Å; W364-T368 WeakPolarHBondContact O-CG2 3.35Å; W364-T368 PolarHBondContact O-N 2.97Å; W364-T368 PolarHBondContact O-OG1 2.9Å; W364-L370 VanDerWaalsContact CD1-O 3.29Å; W364-I372 HydrophobicContact CB-CD1 3.74Å; W364-I372 HydrophobicContact CB-CG1 4.24Å; W364-I372 VanDerWaalsContact CD1-CG1 3.47Å; W364-I372 HydrophobicContact CD2-CD1 4.3Å; W364-I372 HydrophobicContact CG-CD1 3.69Å; W364-I372 HydrophobicContact CG-CG1 3.83Å
365	R	94.5	Very high	89.1	Confident	108 Å²	108	48.9 Å²	48.9	41%	0.408	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-44.2	177.6	-172	-167	-72	147.1	-4.5	111.7	T361 E362 K367 T368 G369 L370 D371	T361-R365 VanDerWaalsContact O-CB 3.32Å; T361-R365 WeakPolarHBondContact O-CB 3.4Å; T361-R365 PolarHBondContact O-N 3.37Å; E362-R365 PolarHBondContact O-N 2.84Å; R365-K367 VanDerWaalsContact C-N 3.32Å; R365-K367 PolarHBondContact O-N 3.35Å; R365-T368 PolarHBondContact O-N 3.2Å; R365-G369 VanDerWaalsContact O-CA 3.26Å; R365-G369 WeakPolarHBondContact O-CA 3.43Å; R365-G369 PolarHBondContact O-N 3.37Å; R365-L370 VanDerWaalsContact CA-O 3.27Å; R365-L370 WeakPolarHBondContact CA-O 3.48Å; R365-D371 IonicContact CZ-OD1 2.68Å; R365-D371 IonicContact NE-OD1 2.71Å; R365-D371 PolarHBondContact NE-OD1 2.83Å; R365-D371 IonicContact NH2-OD1 2.73Å; R365-D371 PolarHBondContact NH2-OD1 3.2Å
366	N	92.7	Very high	90.1	Very high	116 Å²	116	46.7 Å²	46.7	62%	0.62	25%	0.251	S	S	*	.	H	α-helix	trans	-66	-33.4	179.3	-69.1	-15.1	0	0	0	112.4	E362 W364	E362-N366 WeakPolarHBondContact CG-ND2 3.5Å; E362-N366 WeakPolarHBondContact O-CB 3.44Å; E362-N366 VanDerWaalsContact O-CG 3.23Å; E362-N366 PolarHBondContact O-N 2.64Å; E362-N366 PolarHBondContact O-ND2 3.39Å; W364-N366 PolarHBondContact O-N 3.31Å
367	K	91.3	Very high	90.9	Very high	94 Å²	94	47.5 Å²	47.5	41%	0.409	26%	0.261	S	S	.	.	H	α-helix	trans	-85.5	-23.9	179	-73.5	175.3	161.6	-168.1	0	114.4	V334 N336 M338 K363 W364 R365	V334-K367 PolarHBondContact O-NZ 2.89Å; N336-K367 PolarHBondContact O-NZ 2.76Å; M338-K367 HydrophobicContact CB-CB 4.24Å; M338-K367 HydrophobicContact CB-CD 3.95Å; M338-K367 HydrophobicContact CB-CG 4.44Å; M338-K367 HydrophobicContact CE-CB 4.2Å; M338-K367 HydrophobicContact CG-CD 4.02Å; M338-K367 HydrophobicContact SD-CB 4.08Å; M338-K367 HydrophobicContact SD-CD 3.62Å; M338-K367 HydrophobicContact SD-CG 4.47Å; K363-K367 VanDerWaalsContact O-CB 3.31Å; K363-K367 WeakPolarHBondContact O-CB 3.49Å; K363-K367 WeakPolarHBondContact O-CG 3.44Å; K363-K367 PolarHBondContact O-N 2.88Å; W364-K367 PolarHBondContact O-N 2.95Å; R365-K367 VanDerWaalsContact C-N 3.32Å; R365-K367 PolarHBondContact O-N 3.35Å
368	T	94	Very high	91.6	Very high	31 Å²	31	46.5 Å²	46.5	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-123	-18.7	-171.9	66.9	0	0	0	0	115.4	M338 F343 W364 R365 L370	M338-T368 HydrophobicContact CE-CG2 3.45Å; M338-T368 VanDerWaalsContact CE-CG2 3.45Å; F343-T368 HydrophobicContact CD2-CG2 4.02Å; F343-T368 HydrophobicContact CE2-CG2 3.9Å; W364-T368 HydrophobicContact CD2-CG2 3.96Å; W364-T368 HydrophobicContact CE3-CG2 4.29Å; W364-T368 HydrophobicContact CG-CG2 4.46Å; W364-T368 HydrophobicContact CH2-CG2 4.27Å; W364-T368 HydrophobicContact CZ2-CG2 3.93Å; W364-T368 HydrophobicContact CZ3-CG2 4.44Å; W364-T368 PolarHBondContact NE1-OG1 2.9Å; W364-T368 WeakPolarHBondContact O-CB 3.22Å; W364-T368 WeakPolarHBondContact O-CG2 3.35Å; W364-T368 PolarHBondContact O-N 2.97Å; W364-T368 PolarHBondContact O-OG1 2.9Å; R365-T368 PolarHBondContact O-N 3.2Å; T368-L370 PolarHBondContact O-N 3.01Å; T368-L370 PolarHBondContact OG1-N 2.9Å; T368-L370 VanDerWaalsContact OG1-N 3.09Å
369	G	93.7	Very high	92.2	Very high	64 Å²	64	44.9 Å²	44.9	66%	0.66	24%	0.242	S	C	*	.	S	Bend	trans	75.6	1.5	-167.5	0	0	0	0	0	114.8	R365	R365-G369 VanDerWaalsContact O-CA 3.26Å; R365-G369 WeakPolarHBondContact O-CA 3.43Å; R365-G369 PolarHBondContact O-N 3.37Å
370	L	95.7	Very high	93	Very high	35 Å²	35	42.1 Å²	42.1	18%	0.183	23%	0.226	C	C	.	.			trans	-109.1	147.2	-173.5	-60.1	175.7	0	0	0	112.7	L346 W364 R365 T368	L346-L370 HydrophobicContact CB-CD1 4.17Å; L346-L370 HydrophobicContact CD2-CD1 3.89Å; L346-L370 HydrophobicContact CG-CD1 3.63Å; W364-L370 VanDerWaalsContact CD1-O 3.29Å; R365-L370 VanDerWaalsContact CA-O 3.27Å; R365-L370 WeakPolarHBondContact CA-O 3.48Å; T368-L370 PolarHBondContact O-N 3.01Å; T368-L370 PolarHBondContact OG1-N 2.9Å; T368-L370 VanDerWaalsContact OG1-N 3.09Å
371	D	95.9	Very high	93.6	Very high	45 Å²	45	41.9 Å²	41.9	24%	0.241	23%	0.225	C	C	.	.			trans	-82.6	152.3	169.8	-75.2	-44.8	0	0	0	112.1	C349 R365 Y373 I393	C349-D371 WeakPolarHBondContact CB-O 3.46Å; R365-D371 IonicContact CZ-OD1 2.68Å; R365-D371 IonicContact NE-OD1 2.71Å; R365-D371 PolarHBondContact NE-OD1 2.83Å; R365-D371 IonicContact NH2-OD1 2.73Å; R365-D371 PolarHBondContact NH2-OD1 3.2Å; D371-Y373 HydrophobicContact CB-CD2 4.1Å; D371-Y373 HydrophobicContact CB-CE2 3.57Å; D371-I393 HydrophobicContact CB-CD1 3.66Å
372	I	95.6	Very high	93.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.7	166.2	-54.9	174.9	0	0	0	108.6	Y330 C349 I356 T361 W364	Y330-I372 HydrophobicContact CD1-CD1 3.46Å; Y330-I372 VanDerWaalsContact CD1-CD1 3.46Å; Y330-I372 HydrophobicContact CD1-CG1 4.21Å; Y330-I372 HydrophobicContact CD2-CD1 4.24Å; Y330-I372 HydrophobicContact CD2-CG2 4.48Å; Y330-I372 HydrophobicContact CE1-CD1 3.84Å; Y330-I372 HydrophobicContact CE1-CG1 4.07Å; Y330-I372 HydrophobicContact CE2-CG2 4.12Å; Y330-I372 HydrophobicContact CG-CD1 3.67Å; C349-I372 HydrophobicContact CB-CG1 4.48Å; C349-I372 WeakPolarHBondContact O-CA 3.27Å; I356-I372 HydrophobicContact CD1-CB 4.41Å; I356-I372 HydrophobicContact CD1-CD1 3.59Å; I356-I372 HydrophobicContact CD1-CG2 3.95Å; T361-I372 HydrophobicContact CG2-CB 4.29Å; T361-I372 HydrophobicContact CG2-CD1 4.37Å; W364-I372 HydrophobicContact CB-CD1 3.74Å; W364-I372 HydrophobicContact CB-CG1 4.24Å; W364-I372 VanDerWaalsContact CD1-CG1 3.47Å; W364-I372 HydrophobicContact CD2-CD1 4.3Å; W364-I372 HydrophobicContact CG-CD1 3.69Å; W364-I372 HydrophobicContact CG-CG1 3.83Å
373	Y	96.5	Very high	94.2	Very high	8 Å²	8	35.7 Å²	35.7	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	103.4	-179.9	-68	-104.4	0	0	0	110.2	W263 H348 C349 V350 S351 D371 N387 K389 I393	W263-Y373 PolarHBondContact NE1-O 2.79Å; H348-Y373 AromaticContact CE1-CD2 3.33Å; H348-Y373 WeakPolarHBondContact CE1-CD2 3.23Å; H348-Y373 AromaticContact CE1-CE2 3.72Å; H348-Y373 AromaticContact CE1-CG 3.58Å; H348-Y373 AromaticContact ND1-CD2 3.57Å; H348-Y373 AromaticContact ND1-CE2 3.66Å; C349-Y373 PolarHBondContact O-N 3.14Å; V350-Y373 WeakPolarHBondContact CA-O 3.49Å; S351-Y373 PolarHBondContact N-O 2.62Å; S351-Y373 VanDerWaalsContact N-O 3.09Å; D371-Y373 HydrophobicContact CB-CD2 4.1Å; D371-Y373 HydrophobicContact CB-CE2 3.57Å; Y373-N387 HydrophobicContact CD1-CB 4.08Å; Y373-N387 WeakPolarHBondContact CD1-O 3.35Å; Y373-K389 HydrophobicContact CE1-CG 4.22Å; Y373-I393 HydrophobicContact CD1-CD1 3.96Å; Y373-I393 HydrophobicContact CD1-CG1 4.37Å; Y373-I393 HydrophobicContact CD2-CD1 4.38Å; Y373-I393 HydrophobicContact CE1-CD1 3.91Å; Y373-I393 HydrophobicContact CE1-CG1 4.33Å; Y373-I393 HydrophobicContact CE2-CD1 4.34Å; Y373-I393 HydrophobicContact CG-CD1 4.19Å
374	E	92.8	Very high	94.5	Very high	17 Å²	17	31.4 Å²	31.4	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144.9	177.1	-67	-172.8	-92.1	0	0	112.3	S351 I356 G386 N387	S351-E374 CarbonylContact O-C 3.53Å; S351-E374 WeakPolarHBondContact O-CA 2.98Å; I356-E374 HydrophobicContact CB-CG 4.49Å; I356-E374 HydrophobicContact CG2-CG 3.7Å; I356-E374 WeakPolarHBondContact CG2-OE1 3.47Å; I356-E374 WeakPolarHBondContact CG2-OE2 3.49Å; I356-E374 PolarHBondContact N-OE2 3.2Å; I356-E374 VanDerWaalsContact N-OE2 3.13Å; E374-G386 WeakPolarHBondContact O-CA 3.4Å; E374-N387 PolarHBondContact O-N 3.05Å; E374-N387 PolarHBondContact O-ND2 3.22Å
375	G	94.4	Very high	94.6	Very high	7 Å²	7	31.4 Å²	31.4	7%	0.072	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139	172	0	0	0	0	0	111.2	S351 A352	S351-G375 PolarHBondContact O-N 3.43Å; A352-G375 WeakPolarHBondContact CA-O 3.22Å; A352-G375 WeakPolarHBondContact CB-O 3.44Å
376	Y	94.8	Very high	94.7	Very high	24 Å²	24	26.3 Å²	26.3	9%	0.094	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.3	-178.5	163.4	-110.4	0	0	0	111.2	I384 C385 M398 I425 T459 D461	Y376-I384 HydrophobicContact CD1-CB 3.78Å; Y376-I384 HydrophobicContact CD1-CD1 4.43Å; Y376-I384 HydrophobicContact CD1-CG2 4.02Å; Y376-I384 HydrophobicContact CE1-CB 3.85Å; Y376-I384 HydrophobicContact CE1-CD1 3.79Å; Y376-I384 HydrophobicContact CE1-CG1 4.38Å; Y376-I384 HydrophobicContact CE1-CG2 3.79Å; Y376-I384 PolarHBondContact O-N 2.61Å; Y376-C385 HydrophobicContact CD1-CB 4.22Å; Y376-C385 PolarHBondContact N-O 3.49Å; Y376-C385 PolarHBondContact O-N 3.18Å; Y376-M398 HydrophobicContact CD1-CE 4.33Å; Y376-M398 HydrophobicContact CD1-SD 3.75Å; Y376-M398 HydrophobicContact CD2-SD 3.63Å; Y376-M398 HydrophobicContact CE1-SD 4.32Å; Y376-M398 HydrophobicContact CE2-SD 4.23Å; Y376-M398 HydrophobicContact CG-CG 4.35Å; Y376-M398 HydrophobicContact CG-SD 3.36Å; Y376-I425 HydrophobicContact CE1-CD1 4.45Å; Y376-I425 HydrophobicContact CE1-CG2 4.37Å; Y376-T459 WeakPolarHBondContact OH-CB 3.11Å; Y376-D461 WeakPolarHBondContact OH-CB 3.33Å; Y376-D461 PolarHBondContact OH-OD2 2.86Å
377	G	92.6	Very high	94.9	Very high	24 Å²	24	20.8 Å²	20.8	25%	0.247	13%	0.127	C	C	.	.			trans	173.3	-175.2	169	0	0	0	0	0	110.7
378	Q	92.7	Very high	95.1	Very high	27 Å²	27	16.3 Å²	16.3	13%	0.126	11%	0.108	C	C	.	.			trans	-130.1	176.8	-167.4	-57.9	-176.2	-47.1	0	0	110.6	E380 T381 I384 T459 D461	Q378-E380 PolarHBondContact O-N 3.22Å; Q378-T381 PolarHBondContact N-OG1 3.14Å; Q378-T381 PolarHBondContact O-N 2.81Å; Q378-T381 PolarHBondContact O-OG1 3.47Å; Q378-I384 HydrophobicContact CG-CD1 4.27Å; Q378-T459 PolarHBondContact NE2-O 3.13Å; Q378-D461 PolarHBondContact NE2-OD2 3.49Å
379	T	91.6	Very high	95	Very high	37 Å²	37	15.5 Å²	15.5	23%	0.227	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-38.1	176.8	-43.2	0	0	0	0	109.8	F233 T235 T245 H247 A281 T381	F233-T379 HydrophobicContact CB-CG2 3.51Å; F233-T379 HydrophobicContact CG-CG2 4.14Å; T235-T379 HydrophobicContact CG2-CG2 3.59Å; T235-T379 WeakPolarHBondContact CG2-OG1 3.43Å; T245-T379 WeakPolarHBondContact OG1-CG2 3.46Å; H247-T379 PolarHBondContact NE2-O 3.43Å; A281-T379 HydrophobicContact CB-CG2 3.63Å; T379-T381 PolarHBondContact O-N 3.47Å; T379-T381 VanDerWaalsContact O-N 3.16Å
380	E	95.8	Very high	94.8	Very high	19 Å²	19	13.9 Å²	13.9	9%	0.089	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-7.7	179.2	-67.7	79.5	173.9	0	0	114.4	T245 H247 Q378 F438 Y441 Y457	T245-E380 HydrophobicContact CG2-CG 3.63Å; H247-E380 PolarHBondContact NE2-O 2.91Å; Q378-E380 PolarHBondContact O-N 3.22Å; E380-F438 HydrophobicContact CB-CD1 3.9Å; E380-F438 HydrophobicContact CB-CD2 4.41Å; E380-F438 HydrophobicContact CB-CE1 4.17Å; E380-F438 HydrophobicContact CB-CG 4.06Å; E380-F438 HydrophobicContact CG-CD1 4.31Å; E380-F438 HydrophobicContact CG-CD2 4.14Å; E380-F438 HydrophobicContact CG-CE1 4.23Å; E380-F438 HydrophobicContact CG-CE2 4.02Å; E380-F438 HydrophobicContact CG-CG 4.3Å; E380-F438 HydrophobicContact CG-CZ 4.08Å; E380-F438 WeakPolarHBondContact O-CB 3.49Å; E380-F438 WeakPolarHBondContact O-CD1 3.45Å; E380-F438 PolarHBondContact O-N 2.81Å; E380-Y441 HydrophobicContact CG-CE1 4.21Å; E380-Y441 WeakPolarHBondContact OE1-CE1 3.28Å; E380-Y441 PolarHBondContact OE1-OH 2.77Å; E380-Y457 VanDerWaalsContact CB-OH 3.29Å; E380-Y457 WeakPolarHBondContact CB-OH 3.5Å; E380-Y457 WeakPolarHBondContact CG-OH 3.48Å
381	T	95.9	Very high	94.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-139.3	172.5	-169.1	49.3	0	0	0	0	112.1	H247 F252 W285 Q378 T379 I384 F405 I427 G436 L437 Y457	H247-T381 PolarHBondContact NE2-N 2.98Å; H247-T381 VanDerWaalsContact NE2-N 3.15Å; F252-T381 WeakPolarHBondContact CE1-O 3.43Å; W285-T381 WeakPolarHBondContact CZ2-O 3.28Å; W285-T381 PolarHBondContact NE1-O 3.38Å; Q378-T381 PolarHBondContact N-OG1 3.14Å; Q378-T381 PolarHBondContact O-N 2.81Å; Q378-T381 PolarHBondContact O-OG1 3.47Å; T379-T381 PolarHBondContact O-N 3.47Å; T379-T381 VanDerWaalsContact O-N 3.16Å; T381-I384 HydrophobicContact CG2-CD1 4.01Å; T381-I384 HydrophobicContact CG2-CG1 4.19Å; T381-F405 HydrophobicContact CG2-CZ 4.13Å; T381-I427 HydrophobicContact CG2-CD1 3.76Å; T381-G436 CarbonylContact C-O 3.56Å; T381-G436 WeakPolarHBondContact CA-O 3.44Å; T381-L437 HydrophobicContact CG2-CD1 3.7Å; T381-Y457 HydrophobicContact CG2-CE1 4.38Å
382	V	95.8	Very high	94.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-90.4	-162.9	155	-58.8	0	0	0	0	109.7	S251 F252 L256 V258 W285 I384 A404 F405 G436	S251-V382 WeakPolarHBondContact O-CG1 3.17Å; F252-V382 HydrophobicContact CD1-CG1 4.09Å; F252-V382 HydrophobicContact CE1-CG1 4.34Å; L256-V382 HydrophobicContact CD2-CB 4.04Å; L256-V382 HydrophobicContact CD2-CG1 3.7Å; L256-V382 HydrophobicContact CG-CG1 3.94Å; V258-V382 HydrophobicContact CG1-CB 4.23Å; V258-V382 HydrophobicContact CG1-CG2 3.75Å; W285-V382 WeakPolarHBondContact CH2-O 3.32Å; W285-V382 WeakPolarHBondContact CZ2-O 3.46Å; V382-I384 PolarHBondContact O-N 3.09Å; V382-I384 VanDerWaalsContact O-N 3.14Å; V382-A404 HydrophobicContact CG2-CB 4.06Å; V382-F405 HydrophobicContact CG2-CE2 3.58Å; V382-F405 HydrophobicContact CG2-CZ 3.79Å; V382-G436 PolarHBondContact N-O 3.36Å
383	L	96.6	Very high	94.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.			trans	-57.3	119.9	177.9	-172.2	77.5	0	0	0	111.6	V258 N259 W263 W285 C385 F388 S402 F405	V258-L383 HydrophobicContact CG1-CB 4.49Å; N259-L383 VanDerWaalsContact OD1-CB 3.26Å; N259-L383 WeakPolarHBondContact OD1-CB 3.49Å; N259-L383 PolarHBondContact OD1-N 2.84Å; W263-L383 HydrophobicContact CB-CD2 3.5Å; W263-L383 VanDerWaalsContact CB-CD2 3.5Å; W263-L383 HydrophobicContact CD2-CD1 4.01Å; W263-L383 HydrophobicContact CD2-CD2 4.34Å; W263-L383 HydrophobicContact CE3-CD1 4.14Å; W263-L383 HydrophobicContact CG-CD1 4.27Å; W263-L383 HydrophobicContact CG-CD2 3.83Å; W285-L383 HydrophobicContact CH2-CB 4.5Å; W285-L383 HydrophobicContact CZ3-CB 4.37Å; W285-L383 HydrophobicContact CZ3-CD1 4.22Å; L383-C385 VanDerWaalsContact CD1-O 3.24Å; L383-C385 WeakPolarHBondContact CD1-O 3.32Å; L383-C385 WeakPolarHBondContact CG-O 3.39Å; L383-F388 HydrophobicContact CD2-CE1 3.65Å; L383-F388 HydrophobicContact CD2-CZ 3.73Å; L383-S402 VanDerWaalsContact O-CB 3.23Å; L383-S402 WeakPolarHBondContact O-CB 3.37Å; L383-S402 PolarHBondContact O-OG 2.8Å; L383-F405 WeakPolarHBondContact O-CD2 3.33Å; L383-F405 WeakPolarHBondContact O-CE2 3.44Å
384	I	97.3	Very high	94.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.			trans	-84.7	-56.3	177.3	-56.4	179.8	0	0	0	110	Y376 Q378 T381 V382 P401 S402 F405 V407 I427 T459	Y376-I384 HydrophobicContact CD1-CB 3.78Å; Y376-I384 HydrophobicContact CD1-CD1 4.43Å; Y376-I384 HydrophobicContact CD1-CG2 4.02Å; Y376-I384 HydrophobicContact CE1-CB 3.85Å; Y376-I384 HydrophobicContact CE1-CD1 3.79Å; Y376-I384 HydrophobicContact CE1-CG1 4.38Å; Y376-I384 HydrophobicContact CE1-CG2 3.79Å; Y376-I384 PolarHBondContact O-N 2.61Å; Q378-I384 HydrophobicContact CG-CD1 4.27Å; T381-I384 HydrophobicContact CG2-CD1 4.01Å; T381-I384 HydrophobicContact CG2-CG1 4.19Å; V382-I384 PolarHBondContact O-N 3.09Å; V382-I384 VanDerWaalsContact O-N 3.14Å; I384-P401 WeakPolarHBondContact O-CA 2.91Å; I384-S402 PolarHBondContact O-N 2.72Å; I384-F405 HydrophobicContact CG1-CD2 4.45Å; I384-F405 HydrophobicContact CG1-CE2 4.24Å; I384-V407 HydrophobicContact CG2-CG1 4.09Å; I384-V407 HydrophobicContact CG2-CG2 3.63Å; I384-I427 HydrophobicContact CD1-CD1 3.9Å; I384-I427 HydrophobicContact CG1-CD1 4.01Å; I384-I427 HydrophobicContact CG2-CD1 4.28Å; I384-I427 HydrophobicContact CG2-CG1 4.33Å; I384-T459 HydrophobicContact CD1-CG2 3.9Å
385	C	97.5	Very high	93.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.6	175.1	-64.6	0	0	0	0	110.2	Y376 L383 M398 K400	Y376-C385 HydrophobicContact CD1-CB 4.22Å; Y376-C385 PolarHBondContact N-O 3.49Å; Y376-C385 PolarHBondContact O-N 3.18Å; L383-C385 VanDerWaalsContact CD1-O 3.24Å; L383-C385 WeakPolarHBondContact CD1-O 3.32Å; L383-C385 WeakPolarHBondContact CG-O 3.39Å; C385-M398 CarbonylContact C-O 3.52Å; C385-M398 HydrophobicContact CB-CB 4.25Å; C385-K400 CarbonylContact C-O 3.58Å; C385-K400 VanDerWaalsContact CA-O 3.23Å; C385-K400 WeakPolarHBondContact CA-O 3.23Å
386	G	96.2	Very high	93	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	158.2	172.4	0	0	0	0	0	113.9	E374 F388 M398 G399 K400	E374-G386 WeakPolarHBondContact O-CA 3.4Å; G386-F388 VanDerWaalsContact O-CD2 3.25Å; G386-F388 WeakPolarHBondContact O-CD2 3.37Å; G386-F388 WeakPolarHBondContact O-CE2 3.42Å; G386-M398 CarbonylContact C-O 3.48Å; G386-M398 VanDerWaalsContact CA-O 3.3Å; G386-M398 WeakPolarHBondContact CA-O 3.29Å; G386-M398 PolarHBondContact N-O 3.41Å; G386-G399 WeakPolarHBondContact O-CA 3.39Å; G386-K400 PolarHBondContact N-O 2.96Å; G386-K400 PolarHBondContact O-N 3.02Å
387	N	95.7	Very high	92.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.138	C	C	.	.			trans	-83.3	119.4	161.5	-70.4	-84.3	0	0	0	107.5	Y373 E374 I393 S397 G399	Y373-N387 HydrophobicContact CD1-CB 4.08Å; Y373-N387 WeakPolarHBondContact CD1-O 3.35Å; E374-N387 PolarHBondContact O-N 3.05Å; E374-N387 PolarHBondContact O-ND2 3.22Å; N387-I393 HydrophobicContact CB-CG1 4.28Å; N387-S397 PolarHBondContact ND2-O 2.79Å; N387-S397 VanDerWaalsContact ND2-O 3.16Å; N387-G399 PolarHBondContact ND2-N 2.89Å
388	F	95.2	Very high	92.6	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	13%	0.13	C	C	.	.			trans	-107.1	153.9	-179.3	-53.9	-81	0	0	0	110.5	F40 Y43 M46 F262 W263 L383 G386 M391	F40-F388 HydrophobicContact CZ-CB 4.02Å; Y43-F388 AromaticContact CD2-CD2 3.68Å; Y43-F388 HydrophobicContact CD2-CD2 3.68Å; Y43-F388 HydrophobicContact CD2-CE2 4.1Å; Y43-F388 AromaticContact CE2-CD2 3.93Å; Y43-F388 HydrophobicContact CE2-CD2 3.93Å; Y43-F388 AromaticContact CE2-CE2 3.86Å; Y43-F388 HydrophobicContact CE2-CE2 3.86Å; M46-F388 HydrophobicContact CE-CD1 4.47Å; M46-F388 HydrophobicContact CE-CD2 4Å; M46-F388 HydrophobicContact CE-CE2 4.13Å; M46-F388 HydrophobicContact CE-CG 4.2Å; M46-F388 HydrophobicContact CE-CZ 4.42Å; F262-F388 HydrophobicContact CB-CD1 3.89Å; F262-F388 HydrophobicContact CB-CE1 3.89Å; F262-F388 WeakPolarHBondContact O-CD1 3.39Å; W263-F388 HydrophobicContact CB-CD1 4.13Å; W263-F388 HydrophobicContact CB-CE1 3.86Å; L383-F388 HydrophobicContact CD2-CE1 3.65Å; L383-F388 HydrophobicContact CD2-CZ 3.73Å; G386-F388 VanDerWaalsContact O-CD2 3.25Å; G386-F388 WeakPolarHBondContact O-CD2 3.37Å; G386-F388 WeakPolarHBondContact O-CE2 3.42Å; F388-M391 HydrophobicContact CB-CG 4.47Å; F388-M391 HydrophobicContact CB-SD 3.65Å; F388-M391 HydrophobicContact CD2-SD 3.55Å; F388-M391 VanDerWaalsContact CD2-SD 3.55Å; F388-M391 HydrophobicContact CG-SD 4.07Å; F388-M391 PolarHBondContact N-SD 2.92Å; F388-M391 VanDerWaalsContact O-CB 3.28Å; F388-M391 WeakPolarHBondContact O-CB 3.4Å; F388-M391 PolarHBondContact O-N 3.33Å
389	K	92.8	Very high	92.8	Very high	13 Å²	13	21 Å²	21	6%	0.057	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	146.9	174.9	-73	-171.7	-160.6	160.7	0	111.2	A35 P37 F40 D265 H348 Y373 M391	A35-K389 HydrophobicContact CB-CD 4.21Å; A35-K389 HydrophobicContact CB-CG 4.32Å; A35-K389 WeakPolarHBondContact O-CB 3.49Å; P37-K389 HydrophobicContact CB-CB 4.02Å; F40-K389 HydrophobicContact CZ-CB 4.5Å; D265-K389 HydrophobicContact CB-CD 4.31Å; D265-K389 WeakPolarHBondContact OD2-CD 3.43Å; D265-K389 WeakPolarHBondContact OD2-CE 3.44Å; D265-K389 IonicContact OD2-NZ 3.6Å; D265-K389 PolarHBondContact OD2-NZ 2.9Å; H348-K389 VanDerWaalsContact ND1-CE 3.27Å; H348-K389 WeakPolarHBondContact ND1-CE 3.45Å; Y373-K389 HydrophobicContact CE1-CG 4.22Å; K389-M391 VanDerWaalsContact C-N 3.26Å; K389-M391 PolarHBondContact O-N 3.42Å
390	G	90	Very high	93	Very high	31 Å²	31	20.6 Å²	20.6	32%	0.32	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-16.6	-171	0	0	0	0	0	115.8	R34 A35	R34-G390 WeakPolarHBondContact CD-O 3.35Å; R34-G390 PolarHBondContact NH1-O 2.87Å; A35-G390 PolarHBondContact O-N 3.32Å
391	M	91.5	Very high	93.1	Very high	15 Å²	15	20 Å²	20	7%	0.074	12%	0.117	C	C	.	.	S	Bend	trans	-80.4	162.4	174.4	-64.1	171.4	56.3	0	0	112.6	Y43 F388 K389 K400 Y470	Y43-M391 HydrophobicContact CD2-SD 3.72Å; Y43-M391 HydrophobicContact CG-SD 4.05Å; F388-M391 HydrophobicContact CB-CG 4.47Å; F388-M391 HydrophobicContact CB-SD 3.65Å; F388-M391 HydrophobicContact CD2-SD 3.55Å; F388-M391 VanDerWaalsContact CD2-SD 3.55Å; F388-M391 HydrophobicContact CG-SD 4.07Å; F388-M391 PolarHBondContact N-SD 2.92Å; F388-M391 VanDerWaalsContact O-CB 3.28Å; F388-M391 WeakPolarHBondContact O-CB 3.4Å; F388-M391 PolarHBondContact O-N 3.33Å; K389-M391 VanDerWaalsContact C-N 3.26Å; K389-M391 PolarHBondContact O-N 3.42Å; M391-K400 HydrophobicContact CE-CB 3.85Å; M391-K400 HydrophobicContact CE-CD 3.94Å; M391-K400 HydrophobicContact CE-CG 3.54Å; M391-Y470 HydrophobicContact CE-CE1 3.75Å
392	K	92.7	Very high	93	Very high	132 Å²	132	20 Å²	20	57%	0.574	12%	0.117	S	C	*	.	P	Polyproline II helix	trans	-84.1	118.6	165.9	179.7	-176.4	177.4	-174.3	0	107.8	K394 Y470	K392-K394 PolarHBondContact O-N 2.91Å; K392-Y470 WeakPolarHBondContact O-CE1 3.4Å; K392-Y470 PolarHBondContact O-OH 2.71Å
393	I	93.1	Very high	92.9	Very high	33 Å²	33	20.9 Å²	20.9	17%	0.169	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-69.1	129.1	171.4	-61.8	172	0	0	0	108.6	D371 Y373 N387	D371-I393 HydrophobicContact CB-CD1 3.66Å; Y373-I393 HydrophobicContact CD1-CD1 3.96Å; Y373-I393 HydrophobicContact CD1-CG1 4.37Å; Y373-I393 HydrophobicContact CD2-CD1 4.38Å; Y373-I393 HydrophobicContact CE1-CD1 3.91Å; Y373-I393 HydrophobicContact CE1-CG1 4.33Å; Y373-I393 HydrophobicContact CE2-CD1 4.34Å; Y373-I393 HydrophobicContact CG-CD1 4.19Å; N387-I393 HydrophobicContact CB-CG1 4.28Å
394	K	91.9	Very high	92.6	Very high	32 Å²	32	21.3 Å²	21.3	14%	0.139	13%	0.126	C	C	.	.			trans	-102.9	110.4	167.9	-64.2	-168	-174.8	-172.8	0	107.8	K392 G396 S397 D466 D468 Y470 W472	K392-K394 PolarHBondContact O-N 2.91Å; K394-G396 PolarHBondContact O-N 3.46Å; K394-S397 WeakPolarHBondContact O-CB 3.48Å; K394-S397 PolarHBondContact O-N 3.19Å; K394-D466 VanDerWaalsContact NZ-CG 3.3Å; K394-D466 IonicContact NZ-OD1 3.1Å; K394-D466 PolarHBondContact NZ-OD1 3.5Å; K394-D466 IonicContact NZ-OD2 2.66Å; K394-D466 PolarHBondContact NZ-OD2 3.23Å; K394-D468 VanDerWaalsContact CE-OD2 3.24Å; K394-D468 WeakPolarHBondContact CE-OD2 3.35Å; K394-D468 IonicContact NZ-OD2 3.14Å; K394-D468 PolarHBondContact NZ-OD2 3.49Å; K394-Y470 HydrophobicContact CB-CD1 4.33Å; K394-Y470 HydrophobicContact CD-CD1 4.08Å; K394-Y470 HydrophobicContact CD-CD2 4.07Å; K394-Y470 HydrophobicContact CD-CE1 4.5Å; K394-Y470 HydrophobicContact CD-CE2 4.47Å; K394-Y470 HydrophobicContact CD-CG 3.88Å; K394-Y470 HydrophobicContact CG-CD1 4.07Å; K394-Y470 HydrophobicContact CG-CE1 4.13Å; K394-Y470 HydrophobicContact CG-CG 4.37Å; K394-W472 HydrophobicContact CB-CH2 4.02Å; K394-W472 HydrophobicContact CB-CZ2 4.07Å; K394-W472 HydrophobicContact CD-CH2 4.49Å; K394-W472 HydrophobicContact CD-CZ2 3.8Å
395	P	84.6	Confident	92.5	Very high	73 Å²	73	21.6 Å²	21.6	47%	0.474	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	132.9	-179.6	-25.9	34.9	0	0	0	111.9	P358 S397 W472	P358-P395 HydrophobicContact CB-CB 4.1Å; P358-P395 HydrophobicContact CG-CB 3.95Å; P395-S397 VanDerWaalsContact C-N 3.31Å; P395-W472 WeakPolarHBondContact O-CZ3 3.24Å
396	G	78	Confident	92.4	Very high	38 Å²	38	24.5 Å²	24.5	39%	0.392	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-5.7	-175.5	0	0	0	0	0	115	K394	K394-G396 PolarHBondContact O-N 3.46Å
397	S	90.6	Very high	92.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-94.6	137.2	172.2	176.5	0	0	0	0	112	N387 K394 P395 G399 Y470 F471	N387-S397 PolarHBondContact ND2-O 2.79Å; N387-S397 VanDerWaalsContact ND2-O 3.16Å; K394-S397 WeakPolarHBondContact O-CB 3.48Å; K394-S397 PolarHBondContact O-N 3.19Å; P395-S397 VanDerWaalsContact C-N 3.31Å; S397-G399 PolarHBondContact O-N 3.34Å; S397-G399 PolarHBondContact OG-N 3.44Å; S397-Y470 WeakPolarHBondContact OG-CB 3.5Å; S397-F471 WeakPolarHBondContact CA-O 3.24Å; S397-F471 PolarHBondContact OG-O 3.2Å
398	M	90.4	Very high	92.6	Very high	16 Å²	16	27.3 Å²	27.3	8%	0.079	16%	0.155	C	C	.	.			trans	-66.7	0.9	170.3	-61.4	-177.5	-67.1	0	0	113.7	Y376 C385 G386 I425 F471 F473	Y376-M398 HydrophobicContact CD1-CE 4.33Å; Y376-M398 HydrophobicContact CD1-SD 3.75Å; Y376-M398 HydrophobicContact CD2-SD 3.63Å; Y376-M398 HydrophobicContact CE1-SD 4.32Å; Y376-M398 HydrophobicContact CE2-SD 4.23Å; Y376-M398 HydrophobicContact CG-CG 4.35Å; Y376-M398 HydrophobicContact CG-SD 3.36Å; C385-M398 CarbonylContact C-O 3.52Å; C385-M398 HydrophobicContact CB-CB 4.25Å; G386-M398 CarbonylContact C-O 3.48Å; G386-M398 VanDerWaalsContact CA-O 3.3Å; G386-M398 WeakPolarHBondContact CA-O 3.29Å; G386-M398 PolarHBondContact N-O 3.41Å; M398-I425 HydrophobicContact CE-CD1 3.78Å; M398-F471 HydrophobicContact CE-CB 3.96Å; M398-F471 PolarHBondContact N-O 3.16Å; M398-F473 HydrophobicContact CE-CB 3.92Å; M398-F473 HydrophobicContact CG-CB 4.34Å; M398-F473 HydrophobicContact SD-CB 3.78Å
399	G	95.5	Very high	92.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.			trans	83.2	-153.6	-176.1	0	0	0	0	0	112.5	G386 N387 S397 Y470 F471	G386-G399 WeakPolarHBondContact O-CA 3.39Å; N387-G399 PolarHBondContact ND2-N 2.89Å; S397-G399 PolarHBondContact O-N 3.34Å; S397-G399 PolarHBondContact OG-N 3.44Å; G399-Y470 WeakPolarHBondContact O-CA 3.49Å; G399-F471 PolarHBondContact O-N 2.69Å
400	K	97.1	Very high	93	Very high	30 Å²	30	27 Å²	27	13%	0.13	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	161.2	-178.6	-68.1	-163.7	-173.4	-156.5	0	111.6	Y43 E44 C385 G386 M391 D468 Y470	Y43-K400 HydrophobicContact CD1-CD 3.85Å; Y43-K400 HydrophobicContact CD2-CB 4.4Å; Y43-K400 HydrophobicContact CE1-CB 4.18Å; Y43-K400 HydrophobicContact CE1-CD 3.48Å; Y43-K400 VanDerWaalsContact CE1-CD 3.48Å; Y43-K400 HydrophobicContact CE2-CB 3.63Å; Y43-K400 HydrophobicContact CE2-CD 4.28Å; Y43-K400 HydrophobicContact CG-CD 4.42Å; E44-K400 IonicContact OE1-NZ 2.71Å; E44-K400 PolarHBondContact OE1-NZ 2.98Å; C385-K400 CarbonylContact C-O 3.58Å; C385-K400 VanDerWaalsContact CA-O 3.23Å; C385-K400 WeakPolarHBondContact CA-O 3.23Å; G386-K400 PolarHBondContact N-O 2.96Å; G386-K400 PolarHBondContact O-N 3.02Å; M391-K400 HydrophobicContact CE-CB 3.85Å; M391-K400 HydrophobicContact CE-CD 3.94Å; M391-K400 HydrophobicContact CE-CG 3.54Å; K400-D468 WeakPolarHBondContact CE-O 3.35Å; K400-D468 PolarHBondContact NZ-O 3.36Å; K400-Y470 HydrophobicContact CD-CE2 4.33Å; K400-Y470 HydrophobicContact CG-CD1 4.34Å; K400-Y470 HydrophobicContact CG-CD2 4.07Å; K400-Y470 HydrophobicContact CG-CE1 4.37Å; K400-Y470 HydrophobicContact CG-CE2 4.13Å; K400-Y470 HydrophobicContact CG-CG 4.16Å
401	P	96.8	Very high	93.2	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.039	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	138.9	177.1	-28.4	37.7	0	0	0	112.7	Y43 I384 V407 F471	Y43-P401 VanDerWaalsContact CE2-O 3.28Å; Y43-P401 WeakPolarHBondContact CE2-O 3.44Å; Y43-P401 PolarHBondContact OH-O 2.72Å; I384-P401 WeakPolarHBondContact O-CA 2.91Å; P401-V407 HydrophobicContact CB-CB 3.99Å; P401-V407 HydrophobicContact CB-CG2 3.89Å; P401-V407 HydrophobicContact CG-CB 3.94Å; P401-V407 HydrophobicContact CG-CG2 4.37Å; P401-F471 HydrophobicContact CG-CD2 3.94Å; P401-F471 HydrophobicContact CG-CE2 3.37Å; P401-F471 HydrophobicContact CG-CZ 4.01Å
402	S	94.6	Very high	93.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.			trans	-72	159.1	175.1	90.9	0	0	0	0	111.3	L383 I384 A404 F405	L383-S402 VanDerWaalsContact O-CB 3.23Å; L383-S402 WeakPolarHBondContact O-CB 3.37Å; L383-S402 PolarHBondContact O-OG 2.8Å; I384-S402 PolarHBondContact O-N 2.72Å; S402-A404 PolarHBondContact O-N 3.32Å; S402-A404 VanDerWaalsContact O-N 3.09Å; S402-A404 PolarHBondContact OG-N 2.68Å; S402-F405 PolarHBondContact O-N 2.79Å; S402-F405 VanDerWaalsContact O-O 3.09Å
403	P	92.4	Very high	93.3	Very high	18 Å²	18	30.5 Å²	30.5	12%	0.117	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.3	175.7	-26.4	36	0	0	0	115.3	M46 F50 V258 F262 F405	M46-P403 HydrophobicContact CE-CG 3.64Å; M46-P403 HydrophobicContact CG-CG 3.52Å; M46-P403 HydrophobicContact SD-CG 3.83Å; F50-P403 HydrophobicContact CB-CB 3.64Å; F50-P403 HydrophobicContact CD1-CB 3.42Å; F50-P403 VanDerWaalsContact CD1-CB 3.42Å; F50-P403 WeakPolarHBondContact CD1-O 3.46Å; F50-P403 HydrophobicContact CD2-CB 4.43Å; F50-P403 HydrophobicContact CE1-CB 4.07Å; F50-P403 HydrophobicContact CG-CB 3.6Å; V258-P403 HydrophobicContact CG2-CB 4.29Å; V258-P403 HydrophobicContact CG2-CG 4.31Å; F262-P403 HydrophobicContact CD2-CG 3.84Å; F262-P403 HydrophobicContact CE2-CB 4.2Å; F262-P403 HydrophobicContact CE2-CG 3.83Å; P403-F405 VanDerWaalsContact C-N 3.31Å
404	A	91.5	Very high	93.4	Very high	9 Å²	9	29.5 Å²	29.5	7%	0.074	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.4	-178.7	0	0	0	0	0	113.7	F50 V258 V382 S402 F435	F50-A404 HydrophobicContact CE1-CB 4.5Å; V258-A404 HydrophobicContact CB-CB 4.18Å; V258-A404 HydrophobicContact CG1-CB 4Å; V258-A404 HydrophobicContact CG2-CB 3.96Å; V382-A404 HydrophobicContact CG2-CB 4.06Å; S402-A404 PolarHBondContact O-N 3.32Å; S402-A404 VanDerWaalsContact O-N 3.09Å; S402-A404 PolarHBondContact OG-N 2.68Å; A404-F435 HydrophobicContact CB-CE1 4.22Å; A404-F435 HydrophobicContact CB-CZ 4.19Å
405	F	95	Very high	93.7	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.031	19%	0.191	C	C	.	.			trans	-141.1	136.9	-171.7	-61.2	-60.9	0	0	0	112.6	T381 V382 L383 I384 S402 P403 V407 I427 P434 G436 L437	T381-F405 HydrophobicContact CG2-CZ 4.13Å; V382-F405 HydrophobicContact CG2-CE2 3.58Å; V382-F405 HydrophobicContact CG2-CZ 3.79Å; L383-F405 WeakPolarHBondContact O-CD2 3.33Å; L383-F405 WeakPolarHBondContact O-CE2 3.44Å; I384-F405 HydrophobicContact CG1-CD2 4.45Å; I384-F405 HydrophobicContact CG1-CE2 4.24Å; S402-F405 PolarHBondContact O-N 2.79Å; S402-F405 VanDerWaalsContact O-O 3.09Å; P403-F405 VanDerWaalsContact C-N 3.31Å; F405-V407 HydrophobicContact CB-CG2 3.72Å; F405-I427 HydrophobicContact CB-CG1 4.5Å; F405-I427 HydrophobicContact CB-CG2 4.18Å; F405-I427 HydrophobicContact CD1-CD1 4.14Å; F405-I427 HydrophobicContact CD1-CG1 4.43Å; F405-I427 HydrophobicContact CD1-CG2 3.48Å; F405-I427 VanDerWaalsContact CD1-CG2 3.48Å; F405-I427 HydrophobicContact CD2-CD1 4.42Å; F405-I427 HydrophobicContact CE1-CD1 4.2Å; F405-I427 HydrophobicContact CE1-CG2 4.12Å; F405-I427 HydrophobicContact CE2-CD1 4.45Å; F405-I427 HydrophobicContact CG-CD1 4.24Å; F405-I427 HydrophobicContact CG-CG1 4.4Å; F405-I427 HydrophobicContact CG-CG2 4.08Å; F405-I427 HydrophobicContact CZ-CD1 4.33Å; F405-P434 HydrophobicContact CD1-CB 3.59Å; F405-P434 HydrophobicContact CD1-CG 3.68Å; F405-P434 HydrophobicContact CE1-CB 3.79Å; F405-P434 HydrophobicContact CE1-CG 3.82Å; F405-G436 WeakPolarHBondContact CZ-O 3.5Å; F405-L437 HydrophobicContact CE1-CB 4.27Å
406	D	95.1	Very high	94.3	Very high	60 Å²	60	32.7 Å²	32.7	32%	0.321	19%	0.19	S	C	.	.			trans	-85.3	113.2	155.8	-164.3	3	0	0	0	108.7	K408 Q428	D406-K408 WeakPolarHBondContact OD1-CE 3.49Å; D406-K408 IonicContact OD1-NZ 3.94Å; D406-K408 PolarHBondContact OD1-NZ 2.94Å; D406-K408 VanDerWaalsContact OD2-CE 3.32Å; D406-K408 WeakPolarHBondContact OD2-CE 3.35Å; D406-K408 IonicContact OD2-NZ 2.98Å; D406-K408 PolarHBondContact OD2-NZ 3.45Å; D406-Q428 HydrophobicContact CB-CB 4.3Å; D406-Q428 PolarHBondContact O-N 3.48Å
407	V	97.8	Very high	95.3	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.2	-175.5	-172.7	0	0	0	0	108.1	I384 P401 F405 I425 G426 I427 F471	I384-V407 HydrophobicContact CG2-CG1 4.09Å; I384-V407 HydrophobicContact CG2-CG2 3.63Å; P401-V407 HydrophobicContact CB-CB 3.99Å; P401-V407 HydrophobicContact CB-CG2 3.89Å; P401-V407 HydrophobicContact CG-CB 3.94Å; P401-V407 HydrophobicContact CG-CG2 4.37Å; F405-V407 HydrophobicContact CB-CG2 3.72Å; V407-I425 HydrophobicContact CG1-CG2 3.74Å; V407-G426 CarbonylContact C-O 3.53Å; V407-G426 WeakPolarHBondContact CA-O 3.12Å; V407-I427 HydrophobicContact CG2-CG1 4.37Å; V407-F471 HydrophobicContact CB-CE1 4.43Å; V407-F471 HydrophobicContact CB-CZ 4.26Å; V407-F471 HydrophobicContact CG1-CD1 4.3Å; V407-F471 HydrophobicContact CG1-CE1 3.71Å; V407-F471 HydrophobicContact CG1-CZ 4.03Å; V407-F471 WeakPolarHBondContact O-CZ 3.4Å
408	K	98.1	Very high	95.6	Very high	57 Å²	57	35.7 Å²	35.7	25%	0.248	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.5	178.7	-56.2	-59	-171.6	-142.4	0	110.2	D406 V410 V416 G426 F456	D406-K408 WeakPolarHBondContact OD1-CE 3.49Å; D406-K408 IonicContact OD1-NZ 3.94Å; D406-K408 PolarHBondContact OD1-NZ 2.94Å; D406-K408 VanDerWaalsContact OD2-CE 3.32Å; D406-K408 WeakPolarHBondContact OD2-CE 3.35Å; D406-K408 IonicContact OD2-NZ 2.98Å; D406-K408 PolarHBondContact OD2-NZ 3.45Å; K408-V410 HydrophobicContact CB-CG1 4.1Å; K408-V416 HydrophobicContact CB-CG1 4.21Å; K408-V416 HydrophobicContact CB-CG2 4.13Å; K408-V416 HydrophobicContact CD-CG1 4.14Å; K408-V416 HydrophobicContact CD-CG2 4.4Å; K408-V416 HydrophobicContact CG-CG1 4.32Å; K408-V416 HydrophobicContact CG-CG2 3.94Å; K408-G426 PolarHBondContact N-O 2.71Å; K408-G426 PolarHBondContact O-N 3Å; K408-F456 HydrophobicContact CB-CE1 3.85Å; K408-F456 HydrophobicContact CB-CZ 4.3Å; K408-F456 HydrophobicContact CG-CE1 3.56Å; K408-F456 HydrophobicContact CG-CZ 3.96Å
409	I	98.4	Very high	95.9	Very high	6 Å²	6	38 Å²	38	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.9	160.3	-56.8	-59.3	0	0	0	107	V416 L417 G423 I425 M465 F471	I409-V416 WeakPolarHBondContact O-CA 3.43Å; I409-L417 HydrophobicContact CG2-CB 4.31Å; I409-L417 HydrophobicContact CG2-CD1 4.23Å; I409-L417 PolarHBondContact O-N 3.1Å; I409-G423 VanDerWaalsContact CG2-CA 3.41Å; I409-I425 HydrophobicContact CD1-CG1 3.85Å; I409-M465 HydrophobicContact CG1-CB 3.92Å; I409-F471 HydrophobicContact CD1-CD1 3.74Å; I409-F471 HydrophobicContact CD1-CE1 3.57Å; I409-F471 HydrophobicContact CG1-CD1 4.4Å; I409-F471 HydrophobicContact CG1-CE1 3.9Å
410	V	98	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.8	-175.9	-59.5	0	0	0	0	113.4	K408 N415 V416 G423 D424 F456 I458	K408-V410 HydrophobicContact CB-CG1 4.1Å; V410-N415 CarbonylContact C-O 3.52Å; V410-N415 WeakPolarHBondContact CA-O 2.83Å; V410-N415 WeakPolarHBondContact CB-O 3.48Å; V410-V416 HydrophobicContact CG1-CG2 4.39Å; V410-G423 CarbonylContact O-C 3.56Å; V410-G423 WeakPolarHBondContact O-CA 3.38Å; V410-D424 HydrophobicContact CG2-CB 4.32Å; V410-D424 PolarHBondContact N-O 2.86Å; V410-D424 PolarHBondContact O-N 2.74Å; V410-F456 HydrophobicContact CG1-CD1 4.23Å; V410-F456 HydrophobicContact CG1-CD2 3.88Å; V410-F456 HydrophobicContact CG1-CE1 4.22Å; V410-F456 HydrophobicContact CG1-CE2 3.85Å; V410-F456 HydrophobicContact CG1-CG 4.08Å; V410-F456 HydrophobicContact CG1-CZ 4.03Å; V410-I458 HydrophobicContact CG2-CD1 3.59Å
411	D	95	Very high	95.7	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.182	26%	0.26	C	S	.	.			trans	-78	-178.6	174.6	82.3	-8.1	0	0	0	112.5	N413 G414 N415 L417 R453	D411-N413 PolarHBondContact O-N 3.43Å; D411-N413 VanDerWaalsContact OD1-CA 3.31Å; D411-N413 WeakPolarHBondContact OD1-CA 3.39Å; D411-N413 WeakPolarHBondContact OD1-CB 3.39Å; D411-N413 PolarHBondContact OD1-N 3.09Å; D411-N413 PolarHBondContact OD2-ND2 3.21Å; D411-N413 VanDerWaalsContact OD2-ND2 3.11Å; D411-G414 PolarHBondContact O-N 3.16Å; D411-G414 VanDerWaalsContact O-N 3.17Å; D411-G414 PolarHBondContact OD1-N 3.5Å; D411-N415 PolarHBondContact N-O 2.88Å; D411-N415 PolarHBondContact OD1-N 2.94Å; D411-N415 PolarHBondContact OD1-ND2 3.06Å; D411-N415 PolarHBondContact OD2-ND2 3.2Å; D411-L417 HydrophobicContact CB-CD1 4.37Å; D411-L417 HydrophobicContact CB-CD2 4.05Å; D411-L417 HydrophobicContact CB-CG 4.25Å; D411-R453 PolarHBondContact O-NH1 3.35Å
412	V	92	Very high	95.6	Very high	104 Å²	104	46.9 Å²	46.9	63%	0.63	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.3	178.2	-62.9	0	0	0	0	114.3	R453	V412-R453 WeakPolarHBondContact O-CD 3.39Å
413	N	93.9	Very high	95.6	Very high	114 Å²	114	47 Å²	47	61%	0.61	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-13.5	178.8	-51.8	-60.9	0	0	0	112.4	D411	D411-N413 PolarHBondContact O-N 3.43Å; D411-N413 VanDerWaalsContact OD1-CA 3.31Å; D411-N413 WeakPolarHBondContact OD1-CA 3.39Å; D411-N413 WeakPolarHBondContact OD1-CB 3.39Å; D411-N413 PolarHBondContact OD1-N 3.09Å; D411-N413 PolarHBondContact OD2-ND2 3.21Å; D411-N413 VanDerWaalsContact OD2-ND2 3.11Å
414	G	94.6	Very high	95.8	Very high	12 Å²	12	46.8 Å²	46.8	12%	0.124	27%	0.272	C	S	.	.	S	Bend	trans	94.9	11.8	-175.9	0	0	0	0	0	114.4	D411 F456	D411-G414 PolarHBondContact O-N 3.16Å; D411-G414 VanDerWaalsContact O-N 3.17Å; D411-G414 PolarHBondContact OD1-N 3.5Å; G414-F456 WeakPolarHBondContact O-CE2 3.33Å
415	N	97.3	Very high	96.1	Very high	94 Å²	94	46.3 Å²	46.3	50%	0.503	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-75.6	141.7	172.8	-55.2	-53.6	0	0	0	110.3	V410 D411	V410-N415 CarbonylContact C-O 3.52Å; V410-N415 WeakPolarHBondContact CA-O 2.83Å; V410-N415 WeakPolarHBondContact CB-O 3.48Å; D411-N415 PolarHBondContact N-O 2.88Å; D411-N415 PolarHBondContact OD1-N 2.94Å; D411-N415 PolarHBondContact OD1-ND2 3.06Å; D411-N415 PolarHBondContact OD2-ND2 3.2Å
416	V	98.3	Very high	96.2	Very high	78 Å²	78	46 Å²	46	47%	0.473	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-72.8	128.9	175.7	179.5	0	0	0	0	110.1	K408 I409 V410 F456	K408-V416 HydrophobicContact CB-CG1 4.21Å; K408-V416 HydrophobicContact CB-CG2 4.13Å; K408-V416 HydrophobicContact CD-CG1 4.14Å; K408-V416 HydrophobicContact CD-CG2 4.4Å; K408-V416 HydrophobicContact CG-CG1 4.32Å; K408-V416 HydrophobicContact CG-CG2 3.94Å; I409-V416 WeakPolarHBondContact O-CA 3.43Å; V410-V416 HydrophobicContact CG1-CG2 4.39Å; V416-F456 HydrophobicContact CG2-CE2 4.25Å; V416-F456 HydrophobicContact CG2-CZ 3.73Å
417	L	98	Very high	96.4	Very high	35 Å²	35	43.1 Å²	43.1	18%	0.183	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-88.6	148.7	176.3	-67	179.2	0	0	0	111.6	I409 D411 Q421	I409-L417 HydrophobicContact CG2-CB 4.31Å; I409-L417 HydrophobicContact CG2-CD1 4.23Å; I409-L417 PolarHBondContact O-N 3.1Å; D411-L417 HydrophobicContact CB-CD1 4.37Å; D411-L417 HydrophobicContact CB-CD2 4.05Å; D411-L417 HydrophobicContact CB-CG 4.25Å; L417-Q421 HydrophobicContact CB-CB 4.18Å; L417-Q421 HydrophobicContact CD1-CB 4.33Å
418	P	97.8	Very high	96.4	Very high	67 Å²	67	45.9 Å²	45.9	44%	0.435	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-71.7	167	175.4	32.7	-36.6	0	0	0	111.7	Q421	P418-Q421 HydrophobicContact CG-CG 4.05Å; P418-Q421 PolarHBondContact O-N 3.32Å
419	P	97.8	Very high	96.3	Very high	65 Å²	65	43.6 Å²	43.6	42%	0.422	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	148.1	176	-26.4	35.1	0	0	0	113.6	Q421 M465 E467	P419-Q421 PolarHBondContact O-N 2.79Å; P419-M465 CarbonylContact C-O 3.57Å; P419-M465 VanDerWaalsContact CA-O 3.23Å; P419-M465 WeakPolarHBondContact CA-O 3.29Å; P419-M465 HydrophobicContact CG-CE 4.1Å; P419-E467 HydrophobicContact CB-CG 4.26Å
420	G	93.8	Very high	96.1	Very high	54 Å²	54	47.2 Å²	47.2	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-11.6	-179.1	0	0	0	0	0	115.6	M465	G420-M465 PolarHBondContact N-O 3.02Å
421	Q	94.6	Very high	95.8	Very high	98 Å²	98	52.6 Å²	52.6	46%	0.458	31%	0.309	S	S	.	.			trans	-91.8	140.7	178.8	-62.9	-166.9	15.9	0	0	112.9	L417 P418 P419 Y464	L417-Q421 HydrophobicContact CB-CB 4.18Å; L417-Q421 HydrophobicContact CD1-CB 4.33Å; P418-Q421 HydrophobicContact CG-CG 4.05Å; P418-Q421 PolarHBondContact O-N 3.32Å; P419-Q421 PolarHBondContact O-N 2.79Å; Q421-Y464 WeakPolarHBondContact O-CB 3.35Å
422	E	93.4	Very high	95.6	Very high	70 Å²	70	57.3 Å²	57.3	33%	0.327	34%	0.335	S	S	.	.			trans	-87.7	122.2	-178.3	-173.2	-160.7	107.8	0	0	111.9	R462 G463 V474	E422-R462 PolarHBondContact O-NH2 3.44Å; E422-R462 IonicContact OE1-CZ 2.73Å; E422-R462 IonicContact OE1-NE 3.43Å; E422-R462 IonicContact OE1-NH1 2.72Å; E422-R462 PolarHBondContact OE1-NH1 2.86Å; E422-R462 IonicContact OE1-NH2 2.76Å; E422-R462 PolarHBondContact OE1-NH2 3.13Å; E422-G463 WeakPolarHBondContact CA-O 3.47Å; E422-V474 HydrophobicContact CG-CG2 4.34Å
423	G	94.4	Very high	95.6	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	-169.5	178.2	0	0	0	0	0	112.4	I409 V410 R462 G463	I409-G423 VanDerWaalsContact CG2-CA 3.41Å; V410-G423 CarbonylContact O-C 3.56Å; V410-G423 WeakPolarHBondContact O-CA 3.38Å; G423-R462 VanDerWaalsContact O-CA 3.24Å; G423-R462 WeakPolarHBondContact O-CA 3.39Å; G423-R462 VanDerWaalsContact O-CB 3.23Å; G423-R462 WeakPolarHBondContact O-CB 3.38Å; G423-R462 WeakPolarHBondContact O-CG 3.43Å; G423-R462 PolarHBondContact O-NE 2.76Å; G423-G463 PolarHBondContact N-O 3.38Å; G423-G463 PolarHBondContact O-N 2.98Å; G423-G463 VanDerWaalsContact O-N 3.1Å
424	D	96.8	Very high	95.4	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.07	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.2	165.5	-71.5	-58.4	0	0	0	109.4	V410 G426 R453 I458 R462 S477	V410-D424 HydrophobicContact CG2-CB 4.32Å; V410-D424 PolarHBondContact N-O 2.86Å; V410-D424 PolarHBondContact O-N 2.74Å; D424-G426 PolarHBondContact O-N 3.01Å; D424-R453 IonicContact OD2-CZ 3.87Å; D424-R453 VanDerWaalsContact OD2-CZ 3.23Å; D424-R453 IonicContact OD2-NH1 2.62Å; D424-R453 PolarHBondContact OD2-NH1 2.72Å; D424-R453 IonicContact OD2-NH2 2.91Å; D424-R453 PolarHBondContact OD2-NH2 3.26Å; D424-I458 HydrophobicContact CB-CD1 4.47Å; D424-I458 HydrophobicContact CB-CG2 3.97Å; D424-R462 VanDerWaalsContact OD1-CG 3.29Å; D424-R462 WeakPolarHBondContact OD1-CG 3.44Å; D424-S477 PolarHBondContact OD1-OG 3.42Å
425	I	98.1	Very high	95	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	115	174.1	-58.9	170.3	0	0	0	108.1	Y376 M398 V407 I409 T459 D461	Y376-I425 HydrophobicContact CE1-CD1 4.45Å; Y376-I425 HydrophobicContact CE1-CG2 4.37Å; M398-I425 HydrophobicContact CE-CD1 3.78Å; V407-I425 HydrophobicContact CG1-CG2 3.74Å; I409-I425 HydrophobicContact CD1-CG1 3.85Å; I425-T459 HydrophobicContact CG2-CG2 4.29Å; I425-T459 WeakPolarHBondContact O-CG2 3.19Å; I425-T459 PolarHBondContact O-N 3.31Å; I425-T459 VanDerWaalsContact O-N 3.14Å; I425-T459 PolarHBondContact O-OG1 2.99Å; I425-D461 WeakPolarHBondContact CB-O 3.36Å; I425-D461 HydrophobicContact CD1-CB 4.19Å; I425-D461 WeakPolarHBondContact CG1-O 3.47Å; I425-D461 PolarHBondContact N-O 3.27Å
426	G	98.1	Very high	94.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.7	-177.9	0	0	0	0	0	112.7	V407 K408 D424 Y457	V407-G426 CarbonylContact C-O 3.53Å; V407-G426 WeakPolarHBondContact CA-O 3.12Å; K408-G426 PolarHBondContact N-O 2.71Å; K408-G426 PolarHBondContact O-N 3Å; D424-G426 PolarHBondContact O-N 3.01Å; G426-Y457 CarbonylContact C-O 3.57Å; G426-Y457 WeakPolarHBondContact CA-O 3.2Å
427	I	98.3	Very high	94.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.4	167.3	-67.8	166.3	0	0	0	107.8	T381 I384 F405 V407 V429 P434 F456 Y457	T381-I427 HydrophobicContact CG2-CD1 3.76Å; I384-I427 HydrophobicContact CD1-CD1 3.9Å; I384-I427 HydrophobicContact CG1-CD1 4.01Å; I384-I427 HydrophobicContact CG2-CD1 4.28Å; I384-I427 HydrophobicContact CG2-CG1 4.33Å; F405-I427 HydrophobicContact CB-CG1 4.5Å; F405-I427 HydrophobicContact CB-CG2 4.18Å; F405-I427 HydrophobicContact CD1-CD1 4.14Å; F405-I427 HydrophobicContact CD1-CG1 4.43Å; F405-I427 HydrophobicContact CD1-CG2 3.48Å; F405-I427 VanDerWaalsContact CD1-CG2 3.48Å; F405-I427 HydrophobicContact CD2-CD1 4.42Å; F405-I427 HydrophobicContact CE1-CD1 4.2Å; F405-I427 HydrophobicContact CE1-CG2 4.12Å; F405-I427 HydrophobicContact CE2-CD1 4.45Å; F405-I427 HydrophobicContact CG-CD1 4.24Å; F405-I427 HydrophobicContact CG-CG1 4.4Å; F405-I427 HydrophobicContact CG-CG2 4.08Å; F405-I427 HydrophobicContact CZ-CD1 4.33Å; V407-I427 HydrophobicContact CG2-CG1 4.37Å; I427-V429 HydrophobicContact CG2-CG1 4.46Å; I427-V429 PolarHBondContact O-N 2.91Å; I427-P434 HydrophobicContact CG2-CG 3.75Å; I427-F456 CarbonylContact O-C 3.56Å; I427-F456 VanDerWaalsContact O-CA 3.28Å; I427-F456 WeakPolarHBondContact O-CA 3.43Å; I427-Y457 HydrophobicContact CB-CD1 4.38Å; I427-Y457 HydrophobicContact CD1-CD1 4.1Å; I427-Y457 PolarHBondContact N-O 2.82Å; I427-Y457 PolarHBondContact O-N 2.81Å
428	Q	97.1	Very high	94.7	Very high	60 Å²	60	44.6 Å²	44.6	28%	0.28	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.6	176.2	-170.6	167	-7.6	0	0	110.5	D406 L430 P434 F456	D406-Q428 HydrophobicContact CB-CB 4.3Å; D406-Q428 PolarHBondContact O-N 3.48Å; Q428-L430 VanDerWaalsContact CG-O 3.29Å; Q428-L430 WeakPolarHBondContact CG-O 3.23Å; Q428-L430 PolarHBondContact NE2-O 2.7Å; Q428-P434 WeakPolarHBondContact O-CD 3.08Å; Q428-F456 HydrophobicContact CB-CD1 4.1Å; Q428-F456 HydrophobicContact CB-CE1 3.79Å; Q428-F456 HydrophobicContact CG-CE1 4.26Å
429	V	96.7	Very high	94.6	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	24%	0.239	C	C	.	.			trans	-123.5	-3.2	-178.6	-58.9	0	0	0	0	114.1	I427 N432 R433 P434 L437 L452 N455	I427-V429 HydrophobicContact CG2-CG1 4.46Å; I427-V429 PolarHBondContact O-N 2.91Å; V429-N432 CarbonylContact C-O 3.58Å; V429-N432 VanDerWaalsContact C-O 3.31Å; V429-N432 CarbonylContact O-C 3.6Å; V429-R433 WeakPolarHBondContact O-CA 3.24Å; V429-R433 PolarHBondContact O-N 2.71Å; V429-P434 HydrophobicContact CG1-CG 4.34Å; V429-L437 HydrophobicContact CG1-CD2 3.58Å; V429-L452 HydrophobicContact CG2-CD2 4.08Å; V429-N455 WeakPolarHBondContact CG2-O 3.31Å; V429-N455 PolarHBondContact N-O 2.92Å
430	L	94.3	Very high	94.5	Very high	83 Å²	83	43.3 Å²	43.3	44%	0.435	24%	0.236	S	C	.	.	S	Bend	trans	-128.6	142.9	173.3	-70.3	177.7	0	0	0	111	Q428 N432 N455	Q428-L430 VanDerWaalsContact CG-O 3.29Å; Q428-L430 WeakPolarHBondContact CG-O 3.23Å; Q428-L430 PolarHBondContact NE2-O 2.7Å; L430-N432 VanDerWaalsContact C-N 3.33Å; L430-N455 HydrophobicContact CB-CB 4.04Å; L430-N455 PolarHBondContact N-O 3.27Å
431	P	92.3	Very high	94.6	Very high	113 Å²	113	41.5 Å²	41.5	73%	0.734	21%	0.212	S	C	*	.	S	Bend	cis	-74.5	-16.6	2.9	30.7	-36.1	0	0	0	114.2
432	N	89.6	Confident	94.6	Very high	133 Å²	133	37.1 Å²	37.1	71%	0.711	19%	0.193	S	C	*	.	S	Bend	trans	-111.7	126.5	-177.6	-61.3	-54.3	0	0	0	111	V429 L430	V429-N432 CarbonylContact C-O 3.58Å; V429-N432 VanDerWaalsContact C-O 3.31Å; V429-N432 CarbonylContact O-C 3.6Å; L430-N432 VanDerWaalsContact C-N 3.33Å
433	R	91.6	Very high	94.4	Very high	112 Å²	112	38.7 Å²	38.7	42%	0.423	20%	0.204	S	C	.	.			trans	-74.4	124.8	172.5	-172.5	-178.3	-174.5	86.2	-6.2	109.6	V429 F435 L437 F438 A439	V429-R433 WeakPolarHBondContact O-CA 3.24Å; V429-R433 PolarHBondContact O-N 2.71Å; R433-F435 PolarHBondContact O-N 3.19Å; R433-L437 HydrophobicContact CG-CD2 4.49Å; R433-F438 PolarHBondContact NH2-O 3.05Å; R433-A439 PolarHBondContact NH2-O 3.49Å
434	P	91.5	Very high	94.2	Very high	18 Å²	18	41.1 Å²	41.1	12%	0.117	22%	0.216	C	C	.	.			trans	-68.7	130.5	176.2	27.8	-33.5	0	0	0	110.1	F405 I427 Q428 V429 G436 L437	F405-P434 HydrophobicContact CD1-CB 3.59Å; F405-P434 HydrophobicContact CD1-CG 3.68Å; F405-P434 HydrophobicContact CE1-CB 3.79Å; F405-P434 HydrophobicContact CE1-CG 3.82Å; I427-P434 HydrophobicContact CG2-CG 3.75Å; Q428-P434 WeakPolarHBondContact O-CD 3.08Å; V429-P434 HydrophobicContact CG1-CG 4.34Å; P434-G436 VanDerWaalsContact C-N 3.29Å; P434-G436 PolarHBondContact O-N 3.34Å; P434-L437 HydrophobicContact CG-CB 4.33Å; P434-L437 WeakPolarHBondContact O-CB 3.4Å; P434-L437 PolarHBondContact O-N 3.24Å
435	F	86.1	Confident	94.1	Very high	36 Å²	36	45.4 Å²	45.4	16%	0.158	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35	-174.9	69.2	-71.8	0	0	0	113.6	F50 L52 I54 S251 G255 A404 R433 L437	F50-F435 HydrophobicContact CE1-CE1 4.26Å; F50-F435 HydrophobicContact CE1-CZ 4.05Å; F50-F435 HydrophobicContact CZ-CZ 4.24Å; L52-F435 HydrophobicContact CD1-CD2 4.47Å; L52-F435 HydrophobicContact CD1-CE1 4.19Å; L52-F435 HydrophobicContact CD1-CE2 3.44Å; L52-F435 VanDerWaalsContact CD1-CE2 3.44Å; L52-F435 HydrophobicContact CD1-CZ 3.33Å; I54-F435 HydrophobicContact CD1-CB 3.58Å; I54-F435 HydrophobicContact CD1-CG 4.29Å; S251-F435 WeakPolarHBondContact CA-O 3.44Å; S251-F435 WeakPolarHBondContact CB-O 3.19Å; G255-F435 VanDerWaalsContact CA-CE2 3.49Å; A404-F435 HydrophobicContact CB-CE1 4.22Å; A404-F435 HydrophobicContact CB-CZ 4.19Å; R433-F435 PolarHBondContact O-N 3.19Å; F435-L437 PolarHBondContact O-N 3.02Å; F435-L437 VanDerWaalsContact O-N 3.1Å
436	G	92.8	Very high	93.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	2.6	-179.9	0	0	0	0	0	115.7	T381 V382 F405 P434	T381-G436 CarbonylContact C-O 3.56Å; T381-G436 WeakPolarHBondContact CA-O 3.44Å; V382-G436 PolarHBondContact N-O 3.36Å; F405-G436 WeakPolarHBondContact CZ-O 3.5Å; P434-G436 VanDerWaalsContact C-N 3.29Å; P434-G436 PolarHBondContact O-N 3.34Å
437	L	96.4	Very high	93.4	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-91.2	140.2	174.2	-174.7	63.4	0	0	0	109.7	S251 T381 F405 V429 R433 P434 F435 Y457	S251-L437 WeakPolarHBondContact CB-O 3.35Å; T381-L437 HydrophobicContact CG2-CD1 3.7Å; F405-L437 HydrophobicContact CE1-CB 4.27Å; V429-L437 HydrophobicContact CG1-CD2 3.58Å; R433-L437 HydrophobicContact CG-CD2 4.49Å; P434-L437 HydrophobicContact CG-CB 4.33Å; P434-L437 WeakPolarHBondContact O-CB 3.4Å; P434-L437 PolarHBondContact O-N 3.24Å; F435-L437 PolarHBondContact O-N 3.02Å; F435-L437 VanDerWaalsContact O-N 3.1Å; L437-Y457 HydrophobicContact CD1-CD1 3.87Å; L437-Y457 HydrophobicContact CD1-CD2 4.15Å; L437-Y457 HydrophobicContact CD1-CE1 3.99Å; L437-Y457 HydrophobicContact CD1-CE2 4.25Å; L437-Y457 HydrophobicContact CD1-CG 3.95Å; L437-Y457 HydrophobicContact CD2-CD2 4.45Å; L437-Y457 HydrophobicContact CD2-CG 4.17Å
438	F	96.9	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.			trans	-51.2	158.3	173.8	80.2	-43	0	0	0	113	T245 H247 E380 R433 H440 Y441 Y457	T245-F438 HydrophobicContact CG2-CD2 4.08Å; T245-F438 HydrophobicContact CG2-CE2 4.31Å; H247-F438 VanDerWaalsContact NE2-CB 3.31Å; H247-F438 WeakPolarHBondContact NE2-CB 3.44Å; H247-F438 PolarHBondContact NE2-N 2.83Å; E380-F438 HydrophobicContact CB-CD1 3.9Å; E380-F438 HydrophobicContact CB-CD2 4.41Å; E380-F438 HydrophobicContact CB-CE1 4.17Å; E380-F438 HydrophobicContact CB-CG 4.06Å; E380-F438 HydrophobicContact CG-CD1 4.31Å; E380-F438 HydrophobicContact CG-CD2 4.14Å; E380-F438 HydrophobicContact CG-CE1 4.23Å; E380-F438 HydrophobicContact CG-CE2 4.02Å; E380-F438 HydrophobicContact CG-CG 4.3Å; E380-F438 HydrophobicContact CG-CZ 4.08Å; E380-F438 WeakPolarHBondContact O-CB 3.49Å; E380-F438 WeakPolarHBondContact O-CD1 3.45Å; E380-F438 PolarHBondContact O-N 2.81Å; R433-F438 PolarHBondContact NH2-O 3.05Å; F438-H440 VanDerWaalsContact CD2-C 3.45Å; F438-H440 VanDerWaalsContact CD2-O 3.24Å; F438-H440 WeakPolarHBondContact CD2-O 3.01Å; F438-H440 WeakPolarHBondContact CE2-O 3.22Å; F438-Y441 AromaticContact CE2-CD1 3.98Å; F438-Y441 HydrophobicContact CE2-CD1 3.98Å; F438-Y441 AromaticContact CE2-CD2 3.78Å; F438-Y441 HydrophobicContact CE2-CD2 3.78Å; F438-Y441 HydrophobicContact CE2-CE1 4.03Å; F438-Y441 AromaticContact CE2-CE2 3.83Å; F438-Y441 HydrophobicContact CE2-CE2 3.83Å; F438-Y441 AromaticContact CE2-CG 3.87Å; F438-Y441 HydrophobicContact CE2-CG 3.87Å; F438-Y441 AromaticContact CE2-CZ 3.95Å; F438-Y441 AromaticContact CZ-CD2 3.96Å; F438-Y441 HydrophobicContact CZ-CD2 3.96Å; F438-Y441 AromaticContact CZ-CE2 3.74Å; F438-Y441 HydrophobicContact CZ-CE2 3.74Å; F438-Y457 HydrophobicContact CE1-CD2 4.26Å; F438-Y457 AromaticContact CE1-CE2 3.65Å; F438-Y457 HydrophobicContact CE1-CE2 3.65Å; F438-Y457 HydrophobicContact CZ-CE2 4.22Å
439	A	96.3	Very high	93.1	Very high	29 Å²	29	53.1 Å²	53.1	24%	0.24	31%	0.305	C	S	.	.			trans	-68.1	-56.6	177.3	0	0	0	0	0	111	I229 A246 T248 R433	I229-A439 HydrophobicContact CD1-CB 3.81Å; A246-A439 WeakPolarHBondContact O-CB 3.44Å; A246-A439 PolarHBondContact O-N 3.27Å; T248-A439 HydrophobicContact CG2-CB 4.02Å; R433-A439 PolarHBondContact NH2-O 3.49Å
440	H	96.3	Very high	92.9	Very high	75 Å²	75	56 Å²	56	35%	0.347	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	171.7	-176.3	50.6	-88.7	0	0	0	110.3	A246 F438 T448	A246-H440 PolarHBondContact N-O 2.69Å; F438-H440 VanDerWaalsContact CD2-C 3.45Å; F438-H440 VanDerWaalsContact CD2-O 3.24Å; F438-H440 WeakPolarHBondContact CD2-O 3.01Å; F438-H440 WeakPolarHBondContact CE2-O 3.22Å; H440-T448 HydrophobicContact CB-CG2 3.74Å
441	Y	95.6	Very high	92.9	Very high	16 Å²	16	52.5 Å²	52.5	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.6	160.4	-64.4	-75.3	0	0	0	108.6	K243 M244 T245 E380 F438 D443 D444 K447 T448 T451	K243-Y441 HydrophobicContact CB-CD1 3.79Å; K243-Y441 HydrophobicContact CB-CE1 4.11Å; K243-Y441 HydrophobicContact CD-CE1 4.5Å; M244-Y441 CarbonylContact O-C 3.52Å; M244-Y441 VanDerWaalsContact O-CA 3.24Å; M244-Y441 WeakPolarHBondContact O-CA 3.35Å; T245-Y441 HydrophobicContact CG2-CD1 3.75Å; T245-Y441 HydrophobicContact CG2-CE1 3.42Å; T245-Y441 VanDerWaalsContact CG2-CE1 3.42Å; E380-Y441 HydrophobicContact CG-CE1 4.21Å; E380-Y441 WeakPolarHBondContact OE1-CE1 3.28Å; E380-Y441 PolarHBondContact OE1-OH 2.77Å; F438-Y441 AromaticContact CE2-CD1 3.98Å; F438-Y441 HydrophobicContact CE2-CD1 3.98Å; F438-Y441 AromaticContact CE2-CD2 3.78Å; F438-Y441 HydrophobicContact CE2-CD2 3.78Å; F438-Y441 HydrophobicContact CE2-CE1 4.03Å; F438-Y441 AromaticContact CE2-CE2 3.83Å; F438-Y441 HydrophobicContact CE2-CE2 3.83Å; F438-Y441 AromaticContact CE2-CG 3.87Å; F438-Y441 HydrophobicContact CE2-CG 3.87Å; F438-Y441 AromaticContact CE2-CZ 3.95Å; F438-Y441 AromaticContact CZ-CD2 3.96Å; F438-Y441 HydrophobicContact CZ-CD2 3.96Å; F438-Y441 AromaticContact CZ-CE2 3.74Å; F438-Y441 HydrophobicContact CZ-CE2 3.74Å; Y441-D443 PolarHBondContact O-N 2.91Å; Y441-D444 PolarHBondContact O-N 2.81Å; Y441-K447 HydrophobicContact CD2-CB 4.19Å; Y441-K447 HydrophobicContact CD2-CG 3.68Å; Y441-K447 HydrophobicContact CE2-CG 3.77Å; Y441-K447 HydrophobicContact CG-CG 4.31Å; Y441-T448 PolarHBondContact N-OG1 2.89Å; Y441-T451 HydrophobicContact CE2-CG2 3.88Å
442	A	93.8	Very high	93.1	Very high	7 Å²	7	51.1 Å²	51.1	6%	0.058	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	134.8	-177.8	0	0	0	0	0	110.6	M232 M244 A246 D444	M232-A442 HydrophobicContact CE-CB 3.83Å; M232-A442 HydrophobicContact SD-CB 3.92Å; M244-A442 HydrophobicContact CB-CB 3.95Å; M244-A442 HydrophobicContact CE-CB 4.06Å; M244-A442 PolarHBondContact O-N 3.08Å; A246-A442 HydrophobicContact CB-CB 4.46Å; A442-D444 PolarHBondContact O-N 2.86Å; A442-D444 VanDerWaalsContact O-N 3.11Å
443	D	89.3	Confident	93.4	Very high	102 Å²	102	47.9 Å²	47.9	55%	0.545	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	13.6	-177.4	-55.9	-67.6	0	0	0	114.6	R122 Y441	R122-D443 IonicContact NH1-OD2 3.92Å; R122-D443 PolarHBondContact NH1-OD2 3.47Å; R122-D443 IonicContact NH2-OD2 2.91Å; Y441-D443 PolarHBondContact O-N 2.91Å
444	D	90.9	Very high	93.6	Very high	53 Å²	53	45.4 Å²	45.4	28%	0.283	28%	0.281	S	S	.	.			trans	-136.5	74.6	177.6	-168	-10.2	0	0	0	112.6	Y441 A442 A446 K447 T448	Y441-D444 PolarHBondContact O-N 2.81Å; A442-D444 PolarHBondContact O-N 2.86Å; A442-D444 VanDerWaalsContact O-N 3.11Å; D444-A446 VanDerWaalsContact C-N 3.33Å; D444-A446 PolarHBondContact O-N 3.13Å; D444-K447 HydrophobicContact CB-CB 4.29Å; D444-K447 WeakPolarHBondContact OD1-CB 3.35Å; D444-K447 PolarHBondContact OD1-N 2.85Å; D444-K447 WeakPolarHBondContact OD2-CB 3.41Å; D444-T448 PolarHBondContact O-N 3.21Å; D444-T448 VanDerWaalsContact O-N 3.15Å; D444-T448 PolarHBondContact O-OG1 2.8Å
445	P	93.9	Very high	93.8	Very high	103 Å²	103	48.4 Å²	48.4	67%	0.669	30%	0.296	S	S	*	.	H	α-helix	trans	-68.3	-31.8	179.2	27.7	-34.3	0	0	0	112.4	T448 A449	P445-T448 WeakPolarHBondContact O-CB 3.17Å; P445-T448 PolarHBondContact O-N 2.68Å; P445-A449 PolarHBondContact O-N 3.17Å
446	A	92.6	Very high	94.4	Very high	75 Å²	75	47.2 Å²	47.2	62%	0.62	29%	0.291	S	S	*	.	H	α-helix	trans	-65	-45	178.2	0	0	0	0	0	111.3	D444 T448 A449 S450	D444-A446 VanDerWaalsContact C-N 3.33Å; D444-A446 PolarHBondContact O-N 3.13Å; A446-T448 VanDerWaalsContact C-N 3.31Å; A446-T448 PolarHBondContact O-N 3.06Å; A446-A449 PolarHBondContact O-N 2.83Å; A446-S450 PolarHBondContact O-N 3.49Å
447	K	89.3	Confident	94.7	Very high	60 Å²	60	47.4 Å²	47.4	26%	0.261	29%	0.291	S	S	.	.	H	α-helix	trans	-66.7	-35	174.3	-178.1	60	-140.3	154.5	0	111.9	K243 Y441 D444 S450	K243-K447 HydrophobicContact CD-CG 4.12Å; Y441-K447 HydrophobicContact CD2-CB 4.19Å; Y441-K447 HydrophobicContact CD2-CG 3.68Å; Y441-K447 HydrophobicContact CE2-CG 3.77Å; Y441-K447 HydrophobicContact CG-CG 4.31Å; D444-K447 HydrophobicContact CB-CB 4.29Å; D444-K447 WeakPolarHBondContact OD1-CB 3.35Å; D444-K447 PolarHBondContact OD1-N 2.85Å; D444-K447 WeakPolarHBondContact OD2-CB 3.41Å; K447-S450 WeakPolarHBondContact CA-OG 3.48Å; K447-S450 WeakPolarHBondContact CD-OG 3.23Å; K447-S450 WeakPolarHBondContact CE-OG 3.5Å; K447-S450 PolarHBondContact NZ-OG 3.33Å; K447-S450 PolarHBondContact O-N 2.75Å; K447-S450 PolarHBondContact O-OG 3.03Å
448	T	94	Very high	94.7	Very high	26 Å²	26	48 Å²	48	16%	0.16	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-47	174	-56	0	0	0	0	111.4	H440 Y441 D444 P445 A446 S450 T451	H440-T448 HydrophobicContact CB-CG2 3.74Å; Y441-T448 PolarHBondContact N-OG1 2.89Å; D444-T448 PolarHBondContact O-N 3.21Å; D444-T448 VanDerWaalsContact O-N 3.15Å; D444-T448 PolarHBondContact O-OG1 2.8Å; P445-T448 WeakPolarHBondContact O-CB 3.17Å; P445-T448 PolarHBondContact O-N 2.68Å; A446-T448 VanDerWaalsContact C-N 3.31Å; A446-T448 PolarHBondContact O-N 3.06Å; T448-S450 VanDerWaalsContact C-N 3.32Å; T448-S450 PolarHBondContact O-N 2.89Å; T448-T451 PolarHBondContact O-N 3.11Å; T448-T451 PolarHBondContact O-OG1 3.47Å
449	A	94.8	Very high	94.6	Very high	62 Å²	62	48.4 Å²	48.4	51%	0.512	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-38.9	175.3	0	0	0	0	0	112.2	P445 A446 T451 L452	P445-A449 PolarHBondContact O-N 3.17Å; A446-A449 PolarHBondContact O-N 2.83Å; A449-T451 PolarHBondContact O-N 3.2Å; A449-T451 VanDerWaalsContact O-N 3.07Å; A449-L452 PolarHBondContact O-N 3Å
450	S	92.6	Very high	94.4	Very high	69 Å²	69	47.8 Å²	47.8	48%	0.483	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.9	-179.8	78.4	0	0	0	0	115.7	A446 K447 T448	A446-S450 PolarHBondContact O-N 3.49Å; K447-S450 WeakPolarHBondContact CA-OG 3.48Å; K447-S450 WeakPolarHBondContact CD-OG 3.23Å; K447-S450 WeakPolarHBondContact CE-OG 3.5Å; K447-S450 PolarHBondContact NZ-OG 3.33Å; K447-S450 PolarHBondContact O-N 2.75Å; K447-S450 PolarHBondContact O-OG 3.03Å; T448-S450 VanDerWaalsContact C-N 3.32Å; T448-S450 PolarHBondContact O-N 2.89Å
451	T	93.9	Very high	94.2	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.8	172.2	62.7	0	0	0	0	112.9	Y441 T448 A449 Y457 I458	Y441-T451 HydrophobicContact CE2-CG2 3.88Å; T448-T451 PolarHBondContact O-N 3.11Å; T448-T451 PolarHBondContact O-OG1 3.47Å; A449-T451 PolarHBondContact O-N 3.2Å; A449-T451 VanDerWaalsContact O-N 3.07Å; T451-Y457 HydrophobicContact CG2-CE2 3.96Å; T451-Y457 CarbonylContact O-C 3.58Å; T451-Y457 WeakPolarHBondContact O-CA 3.43Å; T451-Y457 WeakPolarHBondContact OG1-CD2 3.16Å; T451-Y457 WeakPolarHBondContact OG1-CE2 3.04Å; T451-I458 PolarHBondContact O-N 2.67Å
452	L	96.7	Very high	94	Very high	85 Å²	85	45 Å²	45	45%	0.445	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.6	179.3	-57.6	-178	0	0	0	111.3	V429 A449 F456	V429-L452 HydrophobicContact CG2-CD2 4.08Å; A449-L452 PolarHBondContact O-N 3Å; L452-F456 CarbonylContact C-O 3.57Å; L452-F456 WeakPolarHBondContact CA-O 3.38Å
453	R	96.7	Very high	94	Very high	64 Å²	64	44.6 Å²	44.6	24%	0.242	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	108.8	170.7	-172.6	-171	-64.5	159	6.2	108.6	D411 V412 D424 N455 F456 I458	D411-R453 PolarHBondContact O-NH1 3.35Å; V412-R453 WeakPolarHBondContact O-CD 3.39Å; D424-R453 IonicContact OD2-CZ 3.87Å; D424-R453 VanDerWaalsContact OD2-CZ 3.23Å; D424-R453 IonicContact OD2-NH1 2.62Å; D424-R453 PolarHBondContact OD2-NH1 2.72Å; D424-R453 IonicContact OD2-NH2 2.91Å; D424-R453 PolarHBondContact OD2-NH2 3.26Å; R453-N455 PolarHBondContact O-N 3.35Å; R453-F456 PolarHBondContact N-O 3.07Å; R453-F456 PolarHBondContact O-N 3.29Å; R453-I458 HydrophobicContact CB-CD1 4.02Å; R453-I458 HydrophobicContact CB-CG1 3.64Å
454	G	94.9	Very high	94.3	Very high	60 Å²	60	43.5 Å²	43.5	62%	0.619	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	-123.1	-171.6	0	0	0	0	0	111.2	F456	G454-F456 VanDerWaalsContact C-N 3.3Å; G454-F456 PolarHBondContact O-N 3.02Å
455	N	96.5	Very high	94.7	Very high	82 Å²	82	43.3 Å²	43.3	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	6.3	-179.1	-66	-23.1	0	0	0	114.5	V429 L430 R453	V429-N455 WeakPolarHBondContact CG2-O 3.31Å; V429-N455 PolarHBondContact N-O 2.92Å; L430-N455 HydrophobicContact CB-CB 4.04Å; L430-N455 PolarHBondContact N-O 3.27Å; R453-N455 PolarHBondContact O-N 3.35Å
456	F	98.3	Very high	94.8	Very high	10 Å²	10	39.4 Å²	39.4	4%	0.044	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.6	-170	-62.9	-84.9	0	0	0	113.5	K408 V410 G414 V416 I427 Q428 L452 R453 G454 I458	K408-F456 HydrophobicContact CB-CE1 3.85Å; K408-F456 HydrophobicContact CB-CZ 4.3Å; K408-F456 HydrophobicContact CG-CE1 3.56Å; K408-F456 HydrophobicContact CG-CZ 3.96Å; V410-F456 HydrophobicContact CG1-CD1 4.23Å; V410-F456 HydrophobicContact CG1-CD2 3.88Å; V410-F456 HydrophobicContact CG1-CE1 4.22Å; V410-F456 HydrophobicContact CG1-CE2 3.85Å; V410-F456 HydrophobicContact CG1-CG 4.08Å; V410-F456 HydrophobicContact CG1-CZ 4.03Å; G414-F456 WeakPolarHBondContact O-CE2 3.33Å; V416-F456 HydrophobicContact CG2-CE2 4.25Å; V416-F456 HydrophobicContact CG2-CZ 3.73Å; I427-F456 CarbonylContact O-C 3.56Å; I427-F456 VanDerWaalsContact O-CA 3.28Å; I427-F456 WeakPolarHBondContact O-CA 3.43Å; Q428-F456 HydrophobicContact CB-CD1 4.1Å; Q428-F456 HydrophobicContact CB-CE1 3.79Å; Q428-F456 HydrophobicContact CG-CE1 4.26Å; L452-F456 CarbonylContact C-O 3.57Å; L452-F456 WeakPolarHBondContact CA-O 3.38Å; R453-F456 PolarHBondContact N-O 3.07Å; R453-F456 PolarHBondContact O-N 3.29Å; G454-F456 VanDerWaalsContact C-N 3.3Å; G454-F456 PolarHBondContact O-N 3.02Å; F456-I458 HydrophobicContact CB-CD1 4.06Å
457	Y	98	Very high	95	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.6	155.2	167.8	-92.6	0	0	0	108.7	E380 T381 G426 I427 L437 F438 T451 T459	E380-Y457 VanDerWaalsContact CB-OH 3.29Å; E380-Y457 WeakPolarHBondContact CB-OH 3.5Å; E380-Y457 WeakPolarHBondContact CG-OH 3.48Å; T381-Y457 HydrophobicContact CG2-CE1 4.38Å; G426-Y457 CarbonylContact C-O 3.57Å; G426-Y457 WeakPolarHBondContact CA-O 3.2Å; I427-Y457 HydrophobicContact CB-CD1 4.38Å; I427-Y457 HydrophobicContact CD1-CD1 4.1Å; I427-Y457 PolarHBondContact N-O 2.82Å; I427-Y457 PolarHBondContact O-N 2.81Å; L437-Y457 HydrophobicContact CD1-CD1 3.87Å; L437-Y457 HydrophobicContact CD1-CD2 4.15Å; L437-Y457 HydrophobicContact CD1-CE1 3.99Å; L437-Y457 HydrophobicContact CD1-CE2 4.25Å; L437-Y457 HydrophobicContact CD1-CG 3.95Å; L437-Y457 HydrophobicContact CD2-CD2 4.45Å; L437-Y457 HydrophobicContact CD2-CG 4.17Å; F438-Y457 HydrophobicContact CE1-CD2 4.26Å; F438-Y457 AromaticContact CE1-CE2 3.65Å; F438-Y457 HydrophobicContact CE1-CE2 3.65Å; F438-Y457 HydrophobicContact CZ-CE2 4.22Å; T451-Y457 HydrophobicContact CG2-CE2 3.96Å; T451-Y457 CarbonylContact O-C 3.58Å; T451-Y457 WeakPolarHBondContact O-CA 3.43Å; T451-Y457 WeakPolarHBondContact OG1-CD2 3.16Å; T451-Y457 WeakPolarHBondContact OG1-CE2 3.04Å; Y457-T459 HydrophobicContact CD1-CG2 4.48Å; Y457-T459 HydrophobicContact CE1-CG2 4.14Å
458	I	97.5	Very high	95.4	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.092	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120	179.7	-56.5	-57	0	0	0	109.2	V410 D424 T451 R453 F456 G460	V410-I458 HydrophobicContact CG2-CD1 3.59Å; D424-I458 HydrophobicContact CB-CD1 4.47Å; D424-I458 HydrophobicContact CB-CG2 3.97Å; T451-I458 PolarHBondContact O-N 2.67Å; R453-I458 HydrophobicContact CB-CD1 4.02Å; R453-I458 HydrophobicContact CB-CG1 3.64Å; F456-I458 HydrophobicContact CB-CD1 4.06Å; I458-G460 PolarHBondContact O-N 2.87Å
459	T	94.7	Very high	95.4	Very high	8 Å²	8	46 Å²	46	5%	0.049	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-22.8	-179.9	58.5	0	0	0	0	113.2	Y376 Q378 I384 I425 Y457 D461	Y376-T459 WeakPolarHBondContact OH-CB 3.11Å; Q378-T459 PolarHBondContact NE2-O 3.13Å; I384-T459 HydrophobicContact CD1-CG2 3.9Å; I425-T459 HydrophobicContact CG2-CG2 4.29Å; I425-T459 WeakPolarHBondContact O-CG2 3.19Å; I425-T459 PolarHBondContact O-N 3.31Å; I425-T459 VanDerWaalsContact O-N 3.14Å; I425-T459 PolarHBondContact O-OG1 2.99Å; Y457-T459 HydrophobicContact CD1-CG2 4.48Å; Y457-T459 HydrophobicContact CE1-CG2 4.14Å; T459-D461 PolarHBondContact O-N 3.15Å; T459-D461 PolarHBondContact OG1-N 3.36Å; T459-D461 PolarHBondContact OG1-O 2.84Å
460	G	91.7	Very high	95.6	Very high	16 Å²	16	43.7 Å²	43.7	17%	0.165	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.9	12.7	-168.7	0	0	0	0	0	113.6	I458 R476 S477	I458-G460 PolarHBondContact O-N 2.87Å; G460-R476 VanDerWaalsContact O-CZ 3.24Å; G460-R476 PolarHBondContact O-NH1 2.66Å; G460-S477 VanDerWaalsContact C-OG 3.29Å; G460-S477 PolarHBondContact O-N 3.37Å; G460-S477 PolarHBondContact O-OG 3.46Å
461	D	91.7	Very high	95.8	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.059	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.6	167.4	-63.5	-47.5	0	0	0	108.3	Y376 Q378 I425 T459 F473 R476	Y376-D461 WeakPolarHBondContact OH-CB 3.33Å; Y376-D461 PolarHBondContact OH-OD2 2.86Å; Q378-D461 PolarHBondContact NE2-OD2 3.49Å; I425-D461 WeakPolarHBondContact CB-O 3.36Å; I425-D461 HydrophobicContact CD1-CB 4.19Å; I425-D461 WeakPolarHBondContact CG1-O 3.47Å; I425-D461 PolarHBondContact N-O 3.27Å; T459-D461 PolarHBondContact O-N 3.15Å; T459-D461 PolarHBondContact OG1-N 3.36Å; T459-D461 PolarHBondContact OG1-O 2.84Å; D461-F473 HydrophobicContact CB-CD2 4.34Å; D461-F473 HydrophobicContact CB-CE2 4.01Å; D461-R476 WeakPolarHBondContact OD1-CD 3.25Å; D461-R476 IonicContact OD1-CZ 3.5Å; D461-R476 IonicContact OD1-NE 2.84Å; D461-R476 IonicContact OD1-NH1 2.62Å; D461-R476 PolarHBondContact OD1-NH1 2.91Å; D461-R476 IonicContact OD2-NH1 3.44Å
462	R	92.1	Very high	95.8	Very high	20 Å²	20	42.4 Å²	42.4	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	151	174.4	-67.2	-164.3	77.1	-145.9	-11.5	111.8	E422 G423 D424 V474 A475 S477 I480	E422-R462 PolarHBondContact O-NH2 3.44Å; E422-R462 IonicContact OE1-CZ 2.73Å; E422-R462 IonicContact OE1-NE 3.43Å; E422-R462 IonicContact OE1-NH1 2.72Å; E422-R462 PolarHBondContact OE1-NH1 2.86Å; E422-R462 IonicContact OE1-NH2 2.76Å; E422-R462 PolarHBondContact OE1-NH2 3.13Å; G423-R462 VanDerWaalsContact O-CA 3.24Å; G423-R462 WeakPolarHBondContact O-CA 3.39Å; G423-R462 VanDerWaalsContact O-CB 3.23Å; G423-R462 WeakPolarHBondContact O-CB 3.38Å; G423-R462 WeakPolarHBondContact O-CG 3.43Å; G423-R462 PolarHBondContact O-NE 2.76Å; D424-R462 VanDerWaalsContact OD1-CG 3.29Å; D424-R462 WeakPolarHBondContact OD1-CG 3.44Å; R462-V474 PolarHBondContact O-N 3.31Å; R462-A475 PolarHBondContact N-O 3.11Å; R462-S477 WeakPolarHBondContact CG-OG 3.47Å; R462-I480 HydrophobicContact CG-CD1 4.23Å
463	G	93.9	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	-176	-179	0	0	0	0	0	112.5	E422 G423 W472	E422-G463 WeakPolarHBondContact CA-O 3.47Å; G423-G463 PolarHBondContact N-O 3.38Å; G423-G463 PolarHBondContact O-N 2.98Å; G423-G463 VanDerWaalsContact O-N 3.1Å; G463-W472 CarbonylContact C-O 3.44Å; G463-W472 WeakPolarHBondContact CA-O 3.5Å
464	Y	96	Very high	94.7	Very high	78 Å²	78	38.4 Å²	38.4	31%	0.306	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	161.9	167.1	66	-87.8	0	0	0	109.8	Q421 W472 V474	Q421-Y464 WeakPolarHBondContact O-CB 3.35Å; Y464-W472 HydrophobicContact CD1-CB 3.88Å; Y464-W472 HydrophobicContact CD2-CB 4.21Å; Y464-W472 AromaticContact CD2-CD1 3.79Å; Y464-W472 HydrophobicContact CD2-CG 4.21Å; Y464-W472 HydrophobicContact CE1-CB 3.47Å; Y464-W472 VanDerWaalsContact CE1-CB 3.47Å; Y464-W472 HydrophobicContact CE1-CG 4.04Å; Y464-W472 HydrophobicContact CE2-CB 3.84Å; Y464-W472 AromaticContact CE2-CD1 3.28Å; Y464-W472 HydrophobicContact CE2-CD2 4.33Å; Y464-W472 AromaticContact CE2-CG 3.56Å; Y464-W472 HydrophobicContact CE2-CG 3.56Å; Y464-W472 AromaticContact CE2-NE1 3.91Å; Y464-W472 HydrophobicContact CG-CB 4.22Å; Y464-W472 VanDerWaalsContact CZ-CB 3.45Å; Y464-W472 AromaticContact CZ-CD1 3.71Å; Y464-W472 AromaticContact CZ-CG 3.45Å; Y464-W472 VanDerWaalsContact CZ-CG 3.45Å; Y464-W472 PolarHBondContact N-O 3.14Å; Y464-W472 PolarHBondContact O-N 3.1Å; Y464-V474 HydrophobicContact CD1-CG2 4.12Å; Y464-V474 HydrophobicContact CE1-CG2 4.45Å
465	M	98.1	Very high	93.9	Very high	49 Å²	49	35.5 Å²	35.5	24%	0.241	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.1	171.6	-177	-174.6	73.3	0	0	107.6	I409 P419 G420 Y470 F471	I409-M465 HydrophobicContact CG1-CB 3.92Å; P419-M465 CarbonylContact C-O 3.57Å; P419-M465 VanDerWaalsContact CA-O 3.23Å; P419-M465 WeakPolarHBondContact CA-O 3.29Å; P419-M465 HydrophobicContact CG-CE 4.1Å; G420-M465 PolarHBondContact N-O 3.02Å; M465-Y470 CarbonylContact C-O 3.56Å; M465-Y470 VanDerWaalsContact CA-O 3.31Å; M465-Y470 WeakPolarHBondContact CA-O 3.49Å; M465-F471 HydrophobicContact CB-CD2 4.41Å; M465-F471 HydrophobicContact CB-CE1 4.23Å; M465-F471 HydrophobicContact CB-CE2 4.08Å; M465-F471 HydrophobicContact CB-CZ 3.99Å; M465-F471 HydrophobicContact CG-CD2 4.01Å; M465-F471 HydrophobicContact CG-CE2 3.56Å; M465-F471 HydrophobicContact CG-CZ 3.89Å; M465-F471 HydrophobicContact SD-CE2 3.55Å; M465-F471 VanDerWaalsContact SD-CE2 3.55Å; M465-F471 HydrophobicContact SD-CZ 3.68Å
466	D	97.4	Very high	93.1	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.118	17%	0.167	C	C	.	.			trans	-85.3	175.5	174.9	71.1	25.4	0	0	0	113	K394 D468 G469 Y470 W472	K394-D466 VanDerWaalsContact NZ-CG 3.3Å; K394-D466 IonicContact NZ-OD1 3.1Å; K394-D466 PolarHBondContact NZ-OD1 3.5Å; K394-D466 IonicContact NZ-OD2 2.66Å; K394-D466 PolarHBondContact NZ-OD2 3.23Å; D466-D468 PolarHBondContact O-N 3.32Å; D466-D468 WeakPolarHBondContact OD1-CA 3.37Å; D466-D468 WeakPolarHBondContact OD1-CB 3.4Å; D466-D468 PolarHBondContact OD1-N 3.38Å; D466-G469 WeakPolarHBondContact O-CA 3.34Å; D466-G469 PolarHBondContact O-N 2.99Å; D466-G469 PolarHBondContact OD1-N 2.89Å; D466-Y470 PolarHBondContact N-O 2.73Å; D466-Y470 WeakPolarHBondContact OD1-CB 2.99Å; D466-Y470 PolarHBondContact OD1-N 3.02Å; D466-W472 PolarHBondContact OD2-NE1 3.35Å
467	E	97.1	Very high	91.9	Very high	185 Å²	185	36 Å²	36	86%	0.864	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.5	-177.5	-60.5	-179.5	159.1	0	0	113.3	P419 G469	P419-E467 HydrophobicContact CB-CG 4.26Å; E467-G469 PolarHBondContact O-N 3.3Å
468	D	95.9	Very high	90.7	Very high	98 Å²	98	38.5 Å²	38.5	52%	0.524	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.5	173.5	-71.1	-50.3	0	0	0	112.2	K394 K400 D466 Y470	K394-D468 VanDerWaalsContact CE-OD2 3.24Å; K394-D468 WeakPolarHBondContact CE-OD2 3.35Å; K394-D468 IonicContact NZ-OD2 3.14Å; K394-D468 PolarHBondContact NZ-OD2 3.49Å; K400-D468 WeakPolarHBondContact CE-O 3.35Å; K400-D468 PolarHBondContact NZ-O 3.36Å; D466-D468 PolarHBondContact O-N 3.32Å; D466-D468 WeakPolarHBondContact OD1-CA 3.37Å; D466-D468 WeakPolarHBondContact OD1-CB 3.4Å; D466-D468 PolarHBondContact OD1-N 3.38Å; D468-Y470 HydrophobicContact CB-CD2 3.59Å; D468-Y470 HydrophobicContact CB-CE2 3.86Å
469	G	95.9	Very high	89.5	Confident	16 Å²	16	38.3 Å²	38.3	17%	0.165	19%	0.191	C	C	.	.	S	Bend	trans	81.6	16.9	-177.4	0	0	0	0	0	114.9	D466 E467	D466-G469 WeakPolarHBondContact O-CA 3.34Å; D466-G469 PolarHBondContact O-N 2.99Å; D466-G469 PolarHBondContact OD1-N 2.89Å; E467-G469 PolarHBondContact O-N 3.3Å
470	Y	97.6	Very high	88.6	Confident	14 Å²	14	39.4 Å²	39.4	6%	0.055	20%	0.196	C	C	.	.			trans	-83.6	141.4	174.9	-74.5	-108.2	0	0	0	110.6	M391 K392 K394 S397 G399 K400 M465 D466 D468	M391-Y470 HydrophobicContact CE-CE1 3.75Å; K392-Y470 WeakPolarHBondContact O-CE1 3.4Å; K392-Y470 PolarHBondContact O-OH 2.71Å; K394-Y470 HydrophobicContact CB-CD1 4.33Å; K394-Y470 HydrophobicContact CD-CD1 4.08Å; K394-Y470 HydrophobicContact CD-CD2 4.07Å; K394-Y470 HydrophobicContact CD-CE1 4.5Å; K394-Y470 HydrophobicContact CD-CE2 4.47Å; K394-Y470 HydrophobicContact CD-CG 3.88Å; K394-Y470 HydrophobicContact CG-CD1 4.07Å; K394-Y470 HydrophobicContact CG-CE1 4.13Å; K394-Y470 HydrophobicContact CG-CG 4.37Å; S397-Y470 WeakPolarHBondContact OG-CB 3.5Å; G399-Y470 WeakPolarHBondContact O-CA 3.49Å; K400-Y470 HydrophobicContact CD-CE2 4.33Å; K400-Y470 HydrophobicContact CG-CD1 4.34Å; K400-Y470 HydrophobicContact CG-CD2 4.07Å; K400-Y470 HydrophobicContact CG-CE1 4.37Å; K400-Y470 HydrophobicContact CG-CE2 4.13Å; K400-Y470 HydrophobicContact CG-CG 4.16Å; M465-Y470 CarbonylContact C-O 3.56Å; M465-Y470 VanDerWaalsContact CA-O 3.31Å; M465-Y470 WeakPolarHBondContact CA-O 3.49Å; D466-Y470 PolarHBondContact N-O 2.73Å; D466-Y470 WeakPolarHBondContact OD1-CB 2.99Å; D466-Y470 PolarHBondContact OD1-N 3.02Å; D468-Y470 HydrophobicContact CB-CD2 3.59Å; D468-Y470 HydrophobicContact CB-CE2 3.86Å
471	F	97.1	Very high	87.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	138.5	-178.3	-78.1	-110.5	0	0	0	111	S397 M398 G399 P401 V407 I409 M465	S397-F471 WeakPolarHBondContact CA-O 3.24Å; S397-F471 PolarHBondContact OG-O 3.2Å; M398-F471 HydrophobicContact CE-CB 3.96Å; M398-F471 PolarHBondContact N-O 3.16Å; G399-F471 PolarHBondContact O-N 2.69Å; P401-F471 HydrophobicContact CG-CD2 3.94Å; P401-F471 HydrophobicContact CG-CE2 3.37Å; P401-F471 HydrophobicContact CG-CZ 4.01Å; V407-F471 HydrophobicContact CB-CE1 4.43Å; V407-F471 HydrophobicContact CB-CZ 4.26Å; V407-F471 HydrophobicContact CG1-CD1 4.3Å; V407-F471 HydrophobicContact CG1-CE1 3.71Å; V407-F471 HydrophobicContact CG1-CZ 4.03Å; V407-F471 WeakPolarHBondContact O-CZ 3.4Å; I409-F471 HydrophobicContact CD1-CD1 3.74Å; I409-F471 HydrophobicContact CD1-CE1 3.57Å; I409-F471 HydrophobicContact CG1-CD1 4.4Å; I409-F471 HydrophobicContact CG1-CE1 3.9Å; M465-F471 HydrophobicContact CB-CD2 4.41Å; M465-F471 HydrophobicContact CB-CE1 4.23Å; M465-F471 HydrophobicContact CB-CE2 4.08Å; M465-F471 HydrophobicContact CB-CZ 3.99Å; M465-F471 HydrophobicContact CG-CD2 4.01Å; M465-F471 HydrophobicContact CG-CE2 3.56Å; M465-F471 HydrophobicContact CG-CZ 3.89Å; M465-F471 HydrophobicContact SD-CE2 3.55Å; M465-F471 VanDerWaalsContact SD-CE2 3.55Å; M465-F471 HydrophobicContact SD-CZ 3.68Å
472	W	93	Very high	86.8	Confident	51 Å²	51	42.5 Å²	42.5	19%	0.193	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.4	-176.1	-61.8	87.9	0	0	0	109.1	K394 P395 G463 Y464 D466	K394-W472 HydrophobicContact CB-CH2 4.02Å; K394-W472 HydrophobicContact CB-CZ2 4.07Å; K394-W472 HydrophobicContact CD-CH2 4.49Å; K394-W472 HydrophobicContact CD-CZ2 3.8Å; P395-W472 WeakPolarHBondContact O-CZ3 3.24Å; G463-W472 CarbonylContact C-O 3.44Å; G463-W472 WeakPolarHBondContact CA-O 3.5Å; Y464-W472 HydrophobicContact CD1-CB 3.88Å; Y464-W472 HydrophobicContact CD2-CB 4.21Å; Y464-W472 AromaticContact CD2-CD1 3.79Å; Y464-W472 HydrophobicContact CD2-CG 4.21Å; Y464-W472 HydrophobicContact CE1-CB 3.47Å; Y464-W472 VanDerWaalsContact CE1-CB 3.47Å; Y464-W472 HydrophobicContact CE1-CG 4.04Å; Y464-W472 HydrophobicContact CE2-CB 3.84Å; Y464-W472 AromaticContact CE2-CD1 3.28Å; Y464-W472 HydrophobicContact CE2-CD2 4.33Å; Y464-W472 AromaticContact CE2-CG 3.56Å; Y464-W472 HydrophobicContact CE2-CG 3.56Å; Y464-W472 AromaticContact CE2-NE1 3.91Å; Y464-W472 HydrophobicContact CG-CB 4.22Å; Y464-W472 VanDerWaalsContact CZ-CB 3.45Å; Y464-W472 AromaticContact CZ-CD1 3.71Å; Y464-W472 AromaticContact CZ-CG 3.45Å; Y464-W472 VanDerWaalsContact CZ-CG 3.45Å; Y464-W472 PolarHBondContact N-O 3.14Å; Y464-W472 PolarHBondContact O-N 3.1Å; D466-W472 PolarHBondContact OD2-NE1 3.35Å
473	F	87.8	Confident	85.7	Confident	52 Å²	52	41.7 Å²	41.7	23%	0.228	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	135.3	178.5	177.3	-101.5	0	0	0	110	P355 M398 D461 A475 F491	P355-F473 HydrophobicContact CG-CD1 4.37Å; M398-F473 HydrophobicContact CE-CB 3.92Å; M398-F473 HydrophobicContact CG-CB 4.34Å; M398-F473 HydrophobicContact SD-CB 3.78Å; D461-F473 HydrophobicContact CB-CD2 4.34Å; D461-F473 HydrophobicContact CB-CE2 4.01Å; F473-A475 VanDerWaalsContact CZ-C 3.49Å; F473-F491 AromaticContact CE1-CD2 3.59Å; F473-F491 HydrophobicContact CE1-CD2 3.59Å; F473-F491 AromaticContact CE1-CE2 3.61Å; F473-F491 HydrophobicContact CE1-CE2 3.61Å; F473-F491 HydrophobicContact CE1-CG 4.08Å; F473-F491 HydrophobicContact CE1-CZ 4.1Å; F473-F491 HydrophobicContact CZ-CD2 4.11Å; F473-F491 AromaticContact CZ-CE2 3.73Å; F473-F491 HydrophobicContact CZ-CE2 3.73Å; F473-F491 HydrophobicContact CZ-CZ 4.26Å
474	V	83.3	Confident	84.3	Confident	12 Å²	12	44.2 Å²	44.2	7%	0.073	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-56.9	176.1	173	0	0	0	0	110.4	E422 R462 Y464	E422-V474 HydrophobicContact CG-CG2 4.34Å; R462-V474 PolarHBondContact O-N 3.31Å; Y464-V474 HydrophobicContact CD1-CG2 4.12Å; Y464-V474 HydrophobicContact CE1-CG2 4.45Å
475	A	77.9	Confident	81.9	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	165.7	-176.6	0	0	0	0	0	112.4	R462 F473 I480	R462-A475 PolarHBondContact N-O 3.11Å; F473-A475 VanDerWaalsContact CZ-C 3.49Å; A475-I480 HydrophobicContact CB-CG1 3.89Å
476	R	79.6	Confident	79.8	Confident	61 Å²	61	47.4 Å²	47.4	23%	0.23	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.8	155.2	-72.3	-60.3	-57.9	173.5	-0.8	109.2	G460 D461 D478 D479	G460-R476 VanDerWaalsContact O-CZ 3.24Å; G460-R476 PolarHBondContact O-NH1 2.66Å; D461-R476 WeakPolarHBondContact OD1-CD 3.25Å; D461-R476 IonicContact OD1-CZ 3.5Å; D461-R476 IonicContact OD1-NE 2.84Å; D461-R476 IonicContact OD1-NH1 2.62Å; D461-R476 PolarHBondContact OD1-NH1 2.91Å; D461-R476 IonicContact OD2-NH1 3.44Å; R476-D478 IonicContact CZ-OD1 3.88Å; R476-D478 IonicContact NE-OD1 2.63Å; R476-D478 PolarHBondContact NE-OD1 3.3Å; R476-D478 IonicContact NH2-OD1 2.77Å; R476-D478 PolarHBondContact NH2-OD1 3.12Å; R476-D478 PolarHBondContact O-N 3.23Å; R476-D478 VanDerWaalsContact O-N 3.1Å; R476-D479 HydrophobicContact CB-CB 3.96Å; R476-D479 PolarHBondContact O-N 3.49Å
477	S	74.3	Confident	78.2	Confident	41 Å²	41	53 Å²	53	29%	0.287	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.3	177.6	-46.9	0	0	0	0	111.9	D424 G460 R462	D424-S477 PolarHBondContact OD1-OG 3.42Å; G460-S477 VanDerWaalsContact C-OG 3.29Å; G460-S477 PolarHBondContact O-N 3.37Å; G460-S477 PolarHBondContact O-OG 3.46Å; R462-S477 WeakPolarHBondContact CG-OG 3.47Å
478	D	71.8	Confident	76.7	Confident	57 Å²	57	44.2 Å²	44.2	31%	0.305	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.6	179.1	62.5	-49.3	0	0	0	115.8	T238 R476 R579	T238-D478 WeakPolarHBondContact CB-OD2 3.36Å; T238-D478 WeakPolarHBondContact CG2-OD2 3.26Å; T238-D478 PolarHBondContact OG1-OD2 2.79Å; R476-D478 IonicContact CZ-OD1 3.88Å; R476-D478 IonicContact NE-OD1 2.63Å; R476-D478 PolarHBondContact NE-OD1 3.3Å; R476-D478 IonicContact NH2-OD1 2.77Å; R476-D478 PolarHBondContact NH2-OD1 3.12Å; R476-D478 PolarHBondContact O-N 3.23Å; R476-D478 VanDerWaalsContact O-N 3.1Å; D478-R579 VanDerWaalsContact O-CZ 3.24Å; D478-R579 PolarHBondContact O-NH1 2.92Å; D478-R579 VanDerWaalsContact O-NH1 3.08Å; D478-R579 PolarHBondContact O-NH2 3.25Å
479	D	73.1	Confident	75.5	Confident	13 Å²	13	39.7 Å²	39.7	7%	0.07	21%	0.211	C	C	.	.	S	Bend	trans	-117.6	6.8	173.3	-64.9	-32.8	0	0	0	114.1	R476 P490 R579	R476-D479 HydrophobicContact CB-CB 3.96Å; R476-D479 PolarHBondContact O-N 3.49Å; D479-P490 HydrophobicContact CB-CG 3.98Å; D479-P490 WeakPolarHBondContact O-CD 3.36Å; D479-P490 WeakPolarHBondContact O-CG 3.5Å; D479-R579 IonicContact OD1-CZ 3.91Å; D479-R579 IonicContact OD1-NH1 2.71Å; D479-R579 PolarHBondContact OD1-NH1 3.3Å; D479-R579 IonicContact OD1-NH2 2.68Å; D479-R579 PolarHBondContact OD1-NH2 3.43Å
480	I	74.7	Confident	74.9	Confident	31 Å²	31	39 Å²	39	16%	0.159	20%	0.203	C	C	.	.			trans	-69.6	138.6	178.7	-64.2	166.5	0	0	0	110.7	R462 A475 R487	R462-I480 HydrophobicContact CG-CD1 4.23Å; A475-I480 HydrophobicContact CB-CG1 3.89Å; I480-R487 HydrophobicContact CG2-CB 4.26Å
481	I	76.4	Confident	73.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125	178.2	-49.4	175.3	0	0	0	108.8	Y486 I488 V508 V509 E518 V520	I481-Y486 VanDerWaalsContact O-O 3.12Å; I481-I488 HydrophobicContact CB-CB 4.27Å; I481-I488 PolarHBondContact N-O 3.2Å; I481-I488 PolarHBondContact O-N 3.1Å; I481-V508 HydrophobicContact CD1-CG1 3.72Å; I481-V509 WeakPolarHBondContact CD1-O 3.25Å; I481-E518 WeakPolarHBondContact CA-OE1 3.48Å; I481-E518 HydrophobicContact CG2-CG 4.2Å; I481-V520 HydrophobicContact CD1-CB 4.45Å; I481-V520 HydrophobicContact CD1-CG1 4.29Å; I481-V520 HydrophobicContact CD1-CG2 4.26Å; I481-V520 HydrophobicContact CG2-CG2 4.27Å
482	L	69	Low	72.5	Confident	93 Å²	93	43.2 Å²	43.2	49%	0.487	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	72.8	179.8	-66.6	175.3	0	0	0	110.9	Y486 R487 E518	L482-Y486 CarbonylContact C-O 3.43Å; L482-Y486 WeakPolarHBondContact CA-O 3.38Å; L482-R487 HydrophobicContact CD2-CG 3.61Å; L482-E518 HydrophobicContact CB-CG 4.45Å; L482-E518 PolarHBondContact N-OE1 2.8Å; L482-E518 WeakPolarHBondContact O-CG 3.05Å
483	S	70	Confident	72	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112.7	-178.8	-160.5	0	0	0	0	112	G485 Y486 E518	S483-G485 PolarHBondContact O-N 3.33Å; S483-Y486 PolarHBondContact N-O 3.03Å; S483-Y486 WeakPolarHBondContact O-CB 3.48Å; S483-Y486 WeakPolarHBondContact O-CD2 3.49Å; S483-Y486 PolarHBondContact O-N 3.02Å; S483-E518 WeakPolarHBondContact CA-O 3.47Å; S483-E518 WeakPolarHBondContact CB-O 3.18Å; S483-E518 PolarHBondContact OG-O 2.84Å
484	S	63.3	Low	71.9	Confident	53 Å²	53	38.8 Å²	38.8	37%	0.371	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	37	180	-49.3	0	0	0	0	114.2	Y486 R516	S484-Y486 VanDerWaalsContact C-N 3.29Å; S484-Y486 PolarHBondContact O-N 2.92Å; S484-R516 PolarHBondContact N-O 2.62Å; S484-R516 VanDerWaalsContact N-O 3.13Å; S484-R516 VanDerWaalsContact OG-CB 3.31Å; S484-R516 WeakPolarHBondContact OG-CB 3.28Å; S484-R516 WeakPolarHBondContact OG-CD 3.43Å; S484-R516 WeakPolarHBondContact OG-CG 3.45Å; S484-R516 PolarHBondContact OG-NH1 2.86Å
485	G	47.6	Very low	71.6	Confident	74 Å²	74	42.3 Å²	42.3	76%	0.763	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-12.7	-176.6	0	0	0	0	0	115.3	S483	S483-G485 PolarHBondContact O-N 3.33Å
486	Y	53	Low	71.6	Confident	120 Å²	120	42.5 Å²	42.5	47%	0.471	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129	171.9	-64.6	-85.3	0	0	0	110.6	I481 L482 S483 S484 Y553	I481-Y486 VanDerWaalsContact O-O 3.12Å; L482-Y486 CarbonylContact C-O 3.43Å; L482-Y486 WeakPolarHBondContact CA-O 3.38Å; S483-Y486 PolarHBondContact N-O 3.03Å; S483-Y486 WeakPolarHBondContact O-CB 3.48Å; S483-Y486 WeakPolarHBondContact O-CD2 3.49Å; S483-Y486 PolarHBondContact O-N 3.02Å; S484-Y486 VanDerWaalsContact C-N 3.29Å; S484-Y486 PolarHBondContact O-N 2.92Å; Y486-Y553 HydrophobicContact CD1-CD1 4.01Å; Y486-Y553 AromaticContact CD1-CD2 3.59Å; Y486-Y553 HydrophobicContact CD1-CD2 3.59Å; Y486-Y553 HydrophobicContact CD1-CE1 4.16Å; Y486-Y553 AromaticContact CD1-CE2 3.76Å; Y486-Y553 HydrophobicContact CD1-CE2 3.76Å; Y486-Y553 AromaticContact CD1-CG 3.73Å; Y486-Y553 HydrophobicContact CD1-CG 3.73Å; Y486-Y553 AromaticContact CE1-CD1 3.97Å; Y486-Y553 HydrophobicContact CE1-CD1 3.97Å; Y486-Y553 HydrophobicContact CE1-CD2 4.34Å; Y486-Y553 HydrophobicContact CE1-CE1 4.27Å; Y486-Y553 HydrophobicContact CE1-CG 4.02Å; Y486-Y553 AromaticContact CG-CD2 3.71Å; Y486-Y553 HydrophobicContact CG-CD2 3.71Å; Y486-Y553 HydrophobicContact CG-CE2 4.18Å; Y486-Y553 HydrophobicContact CG-CG 4.03Å
487	R	63	Low	72.1	Confident	139 Å²	139	39.6 Å²	39.6	53%	0.525	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.7	166.9	-67.9	175.5	-174.3	-164.9	4.5	108.4	I480 L482	I480-R487 HydrophobicContact CG2-CB 4.26Å; L482-R487 HydrophobicContact CD2-CG 3.61Å
488	I	66.2	Low	72.7	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.7	-175.7	-55.3	167.3	0	0	0	107.9	I481 V493 V520 Y553 K554	I481-I488 HydrophobicContact CB-CB 4.27Å; I481-I488 PolarHBondContact N-O 3.2Å; I481-I488 PolarHBondContact O-N 3.1Å; I488-V493 HydrophobicContact CG2-CG2 3.78Å; I488-V520 HydrophobicContact CB-CG2 4.42Å; I488-V520 HydrophobicContact CD1-CG2 3.52Å; I488-V520 HydrophobicContact CG2-CG2 3.99Å; I488-Y553 HydrophobicContact CD1-CD2 4.25Å; I488-Y553 HydrophobicContact CG1-CD2 4.14Å; I488-Y553 HydrophobicContact CG1-CE2 4.19Å; I488-K554 HydrophobicContact CG1-CG 4.42Å; I488-K554 HydrophobicContact CG2-CB 4.14Å; I488-K554 HydrophobicContact CG2-CG 4.13Å
489	G	71.9	Confident	73.4	Confident	3 Å²	3	44.8 Å²	44.8	3%	0.031	24%	0.235	C	C	.	.			trans	-77.8	127	172.1	0	0	0	0	0	109.8	F491 E492	G489-F491 VanDerWaalsContact C-N 3.27Å; G489-F491 PolarHBondContact O-N 2.64Å; G489-E492 PolarHBondContact O-N 3.43Å
490	P	82.4	Confident	74.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-35.4	-176.4	24.6	-34.5	0	0	0	112.2	D479 E492 V493 E494 V508	D479-P490 HydrophobicContact CB-CG 3.98Å; D479-P490 WeakPolarHBondContact O-CD 3.36Å; D479-P490 WeakPolarHBondContact O-CG 3.5Å; P490-E492 VanDerWaalsContact C-N 3.29Å; P490-E492 PolarHBondContact O-N 3.32Å; P490-V493 PolarHBondContact O-N 2.94Å; P490-V493 VanDerWaalsContact O-N 3.12Å; P490-E494 WeakPolarHBondContact O-CG 3.27Å; P490-E494 PolarHBondContact O-N 2.98Å; P490-V508 HydrophobicContact CB-CB 3.83Å; P490-V508 HydrophobicContact CB-CG1 3.87Å; P490-V508 WeakPolarHBondContact CB-O 3.35Å
491	F	76	Confident	75.2	Confident	40 Å²	40	47.5 Å²	47.5	18%	0.175	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-31.6	179.3	-65.6	-82.4	0	0	0	113.7	F473 G489 V493 E494 N495 R575	F473-F491 AromaticContact CE1-CD2 3.59Å; F473-F491 HydrophobicContact CE1-CD2 3.59Å; F473-F491 AromaticContact CE1-CE2 3.61Å; F473-F491 HydrophobicContact CE1-CE2 3.61Å; F473-F491 HydrophobicContact CE1-CG 4.08Å; F473-F491 HydrophobicContact CE1-CZ 4.1Å; F473-F491 HydrophobicContact CZ-CD2 4.11Å; F473-F491 AromaticContact CZ-CE2 3.73Å; F473-F491 HydrophobicContact CZ-CE2 3.73Å; F473-F491 HydrophobicContact CZ-CZ 4.26Å; G489-F491 VanDerWaalsContact C-N 3.27Å; G489-F491 PolarHBondContact O-N 2.64Å; F491-V493 VanDerWaalsContact C-N 3.31Å; F491-E494 WeakPolarHBondContact CD1-OE2 3.36Å; F491-E494 PolarHBondContact O-N 3.16Å; F491-N495 WeakPolarHBondContact O-CB 3.3Å; F491-N495 PolarHBondContact O-N 3.43Å; F491-N495 PolarHBondContact O-ND2 3.36Å; F491-R575 VanDerWaalsContact CE1-NH2 3.25Å; F491-R575 VanDerWaalsContact CZ-NH1 3.31Å
492	E	69.2	Low	76.1	Confident	64 Å²	64	47.5 Å²	47.5	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-67.6	-36.5	176.8	-55.7	-179.9	126	0	0	111.3	G489 P490 A496 K554	G489-E492 PolarHBondContact O-N 3.43Å; P490-E492 VanDerWaalsContact C-N 3.29Å; P490-E492 PolarHBondContact O-N 3.32Å; E492-A496 PolarHBondContact O-N 3.28Å; E492-K554 IonicContact OE1-NZ 2.8Å; E492-K554 PolarHBondContact OE1-NZ 3.43Å; E492-K554 VanDerWaalsContact OE1-NZ 3.14Å; E492-K554 WeakPolarHBondContact OE2-CE 3.29Å; E492-K554 IonicContact OE2-NZ 3.43Å; E492-K554 PolarHBondContact OE2-NZ 3.15Å
493	V	81	Confident	77.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-75	-42.2	176.4	-172.7	0	0	0	0	110.3	I488 P490 F491 N495 A496 L497 V508 V520 V546 K554	I488-V493 HydrophobicContact CG2-CG2 3.78Å; P490-V493 PolarHBondContact O-N 2.94Å; P490-V493 VanDerWaalsContact O-N 3.12Å; F491-V493 VanDerWaalsContact C-N 3.31Å; V493-N495 PolarHBondContact O-N 2.57Å; V493-A496 PolarHBondContact O-N 3.03Å; V493-L497 HydrophobicContact CG1-CD1 4.12Å; V493-L497 HydrophobicContact CG1-CG 4.44Å; V493-L497 WeakPolarHBondContact O-CB 3.25Å; V493-L497 VanDerWaalsContact O-CG 3.25Å; V493-L497 WeakPolarHBondContact O-CG 3.07Å; V493-L497 PolarHBondContact O-N 3.04Å; V493-V508 HydrophobicContact CB-CB 4.43Å; V493-V508 HydrophobicContact CB-CG1 4.11Å; V493-V508 HydrophobicContact CB-CG2 3.98Å; V493-V508 HydrophobicContact CG1-CG1 4.3Å; V493-V508 HydrophobicContact CG1-CG2 3.83Å; V493-V508 HydrophobicContact CG2-CG1 4.45Å; V493-V520 HydrophobicContact CG1-CG1 4.04Å; V493-V520 HydrophobicContact CG2-CG1 4.23Å; V493-V546 HydrophobicContact CG1-CG1 4.31Å; V493-K554 HydrophobicContact CG2-CB 4.14Å; V493-K554 VanDerWaalsContact CG2-O 3.27Å; V493-K554 WeakPolarHBondContact CG2-O 3.35Å
494	E	86.7	Confident	78.3	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-41.5	175	-69.6	166	-178.1	0	0	111.9	P490 F491 L497 N498 A507 V508 R575	P490-E494 WeakPolarHBondContact O-CG 3.27Å; P490-E494 PolarHBondContact O-N 2.98Å; F491-E494 WeakPolarHBondContact CD1-OE2 3.36Å; F491-E494 PolarHBondContact O-N 3.16Å; E494-L497 WeakPolarHBondContact O-CB 3.5Å; E494-L497 PolarHBondContact O-N 3.13Å; E494-N498 WeakPolarHBondContact O-CB 3.44Å; E494-N498 PolarHBondContact O-N 2.82Å; E494-N498 PolarHBondContact O-ND2 2.91Å; E494-N498 PolarHBondContact O-OD1 3.41Å; E494-A507 WeakPolarHBondContact OE1-CA 3.11Å; E494-V508 HydrophobicContact CG-CB 3.84Å; E494-V508 HydrophobicContact CG-CG2 3.62Å; E494-V508 PolarHBondContact OE1-N 2.99Å; E494-R575 IonicContact OE1-CZ 3.18Å; E494-R575 VanDerWaalsContact OE1-CZ 3.26Å; E494-R575 IonicContact OE1-NE 2.63Å; E494-R575 PolarHBondContact OE1-NE 3.2Å; E494-R575 IonicContact OE1-NH2 2.67Å; E494-R575 PolarHBondContact OE1-NH2 2.94Å; E494-R575 IonicContact OE2-CZ 3.56Å; E494-R575 IonicContact OE2-NE 3.26Å; E494-R575 IonicContact OE2-NH2 3.13Å; E494-R575 PolarHBondContact OE2-NH2 2.83Å
495	N	76.1	Confident	79.6	Confident	86 Å²	86	46.6 Å²	46.6	46%	0.46	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-49.8	174.6	-74.9	-17.3	0	0	0	111.2	F491 V493 L497 N498 E499	F491-N495 WeakPolarHBondContact O-CB 3.3Å; F491-N495 PolarHBondContact O-N 3.43Å; F491-N495 PolarHBondContact O-ND2 3.36Å; V493-N495 PolarHBondContact O-N 2.57Å; N495-L497 VanDerWaalsContact C-N 3.28Å; N495-L497 PolarHBondContact O-N 3.4Å; N495-N498 PolarHBondContact O-N 2.71Å; N495-E499 PolarHBondContact O-N 2.89Å
496	A	78.4	Confident	81.8	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-31.3	175.9	0	0	0	0	0	113	E492 V493 H545 V546 T549 T550	E492-A496 PolarHBondContact O-N 3.28Å; V493-A496 PolarHBondContact O-N 3.03Å; A496-H545 PolarHBondContact O-CD2 2.83Å; A496-H545 PolarHBondContact O-NE2 2.96Å; A496-V546 HydrophobicContact CB-CG1 4.2Å; A496-V546 HydrophobicContact CB-CG2 4.34Å; A496-T549 HydrophobicContact CB-CG2 3.9Å; A496-T550 HydrophobicContact CB-CG2 4.24Å
497	L	89.3	Confident	83.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.5	-41.8	174	-75.8	168.4	0	0	0	112.1	V493 E494 N495 E499 H500 V503 V508 A522 I524 I542 V546 P556	V493-L497 HydrophobicContact CG1-CD1 4.12Å; V493-L497 HydrophobicContact CG1-CG 4.44Å; V493-L497 WeakPolarHBondContact O-CB 3.25Å; V493-L497 VanDerWaalsContact O-CG 3.25Å; V493-L497 WeakPolarHBondContact O-CG 3.07Å; V493-L497 PolarHBondContact O-N 3.04Å; E494-L497 WeakPolarHBondContact O-CB 3.5Å; E494-L497 PolarHBondContact O-N 3.13Å; N495-L497 VanDerWaalsContact C-N 3.28Å; N495-L497 PolarHBondContact O-N 3.4Å; L497-E499 PolarHBondContact O-N 2.88Å; L497-H500 WeakPolarHBondContact O-CB 3.33Å; L497-H500 PolarHBondContact O-N 2.81Å; L497-V503 WeakPolarHBondContact O-CB 3.46Å; L497-V503 VanDerWaalsContact O-CG2 3.29Å; L497-V503 WeakPolarHBondContact O-CG2 3.36Å; L497-V508 HydrophobicContact CD1-CG2 3.67Å; L497-A522 HydrophobicContact CD1-CB 3.61Å; L497-I524 HydrophobicContact CD2-CD1 3.89Å; L497-I542 HydrophobicContact CD2-CG2 3.27Å; L497-V546 HydrophobicContact CD2-CG2 3.6Å; L497-V546 HydrophobicContact CG-CG2 3.93Å; L497-P556 HydrophobicContact CD2-CG 4.29Å
498	N	87	Confident	85.1	Confident	81 Å²	81	31.1 Å²	31.1	43%	0.433	17%	0.168	S	C	.	.	H	α-helix	trans	-71.7	-8.8	-177.5	-61.6	-25.6	0	0	0	113.3	E494 N495 S506	E494-N498 WeakPolarHBondContact O-CB 3.44Å; E494-N498 PolarHBondContact O-N 2.82Å; E494-N498 PolarHBondContact O-ND2 2.91Å; E494-N498 PolarHBondContact O-OD1 3.41Å; N495-N498 PolarHBondContact O-N 2.71Å; N498-S506 PolarHBondContact OD1-OG 3.22Å
499	E	86.4	Confident	86.4	Confident	126 Å²	126	31.1 Å²	31.1	59%	0.589	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-15	168.6	-71.7	176.8	-148.5	0	0	112.8	N495 L497 T549	N495-E499 PolarHBondContact O-N 2.89Å; L497-E499 PolarHBondContact O-N 2.88Å; E499-T549 VanDerWaalsContact OE2-CG2 3.25Å; E499-T549 WeakPolarHBondContact OE2-CG2 3.27Å
500	H	92.9	Very high	87.3	Confident	24 Å²	24	31.2 Å²	31.2	11%	0.111	17%	0.168	C	C	.	.	S	Bend	trans	-84	129.6	177.8	-165.2	-96	0	0	0	111.5	L497 S502 V503 H545	L497-H500 WeakPolarHBondContact O-CB 3.33Å; L497-H500 PolarHBondContact O-N 2.81Å; H500-S502 PolarHBondContact CE1-OG 3.42Å; H500-S502 PolarHBondContact ND1-N 3.27Å; H500-S502 PolarHBondContact ND1-OG 2.92Å; H500-S502 PolarHBondContact O-N 3.49Å; H500-V503 HydrophobicContact CB-CG2 4.18Å; H500-V503 PolarHBondContact O-N 3.04Å; H500-H545 AromaticContact CD2-CG 3.64Å; H500-H545 AromaticContact CD2-ND1 3.82Å
501	P	93.5	Very high	87.7	Confident	76 Å²	76	31.2 Å²	31.2	49%	0.494	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.9	-171	26.6	-36.6	0	0	0	114.7	N527 Y530	P501-N527 PolarHBondContact O-ND2 3.28Å; P501-Y530 HydrophobicContact CB-CE2 4.41Å; P501-Y530 WeakPolarHBondContact O-CE2 3.46Å
502	S	95	Very high	88.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.9	174.5	73.8	0	0	0	0	114.5	H500 L526 N527 Y530	H500-S502 PolarHBondContact CE1-OG 3.42Å; H500-S502 PolarHBondContact ND1-N 3.27Å; H500-S502 PolarHBondContact ND1-OG 2.92Å; H500-S502 PolarHBondContact O-N 3.49Å; S502-L526 CarbonylContact O-C 3.48Å; S502-L526 VanDerWaalsContact O-CA 3.32Å; S502-L526 WeakPolarHBondContact O-CA 3.34Å; S502-L526 WeakPolarHBondContact O-CD2 3.32Å; S502-N527 PolarHBondContact O-N 3.05Å; S502-Y530 VanDerWaalsContact CB-CD1 3.48Å; S502-Y530 VanDerWaalsContact CB-CG 3.48Å
503	V	94.3	Very high	88.8	Confident	10 Å²	10	29.1 Å²	29.1	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.8	-173.2	178.3	0	0	0	0	110.2	L497 H500 I524 N527 I542	L497-V503 WeakPolarHBondContact O-CB 3.46Å; L497-V503 VanDerWaalsContact O-CG2 3.29Å; L497-V503 WeakPolarHBondContact O-CG2 3.36Å; H500-V503 HydrophobicContact CB-CG2 4.18Å; H500-V503 PolarHBondContact O-N 3.04Å; V503-I524 HydrophobicContact CB-CG2 4.5Å; V503-I524 HydrophobicContact CG1-CG2 4.31Å; V503-I524 HydrophobicContact CG2-CD1 4.35Å; V503-I524 HydrophobicContact CG2-CG2 3.97Å; V503-N527 PolarHBondContact O-ND2 2.7Å; V503-I542 HydrophobicContact CG2-CD1 4.46Å
504	A	90.3	Very high	88.4	Confident	46 Å²	46	35.6 Å²	35.6	38%	0.38	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-46.7	171.7	0	0	0	0	0	111.1	V525 N527	A504-V525 HydrophobicContact CB-CG1 4.33Å; A504-V525 WeakPolarHBondContact CB-O 3.47Å; A504-V525 PolarHBondContact N-O 3.14Å; A504-N527 VanDerWaalsContact CB-OD1 3.27Å; A504-N527 WeakPolarHBondContact CB-OD1 3.33Å
505	E	92	Very high	87.7	Confident	74 Å²	74	42.5 Å²	42.5	35%	0.346	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.2	172.6	-60.9	-172.1	-159.5	0	0	109.8	V525 L565 K567	E505-V525 HydrophobicContact CB-CB 4.17Å; E505-V525 HydrophobicContact CB-CG2 4.3Å; E505-V525 PolarHBondContact N-O 3.02Å; E505-V525 PolarHBondContact O-N 2.88Å; E505-L565 HydrophobicContact CB-CD1 3.83Å; E505-L565 HydrophobicContact CB-CG 4.38Å; E505-K567 IonicContact OE1-NZ 3.73Å; E505-K567 PolarHBondContact OE1-NZ 3.45Å; E505-K567 WeakPolarHBondContact OE2-CE 3.2Å; E505-K567 IonicContact OE2-NZ 2.71Å; E505-K567 PolarHBondContact OE2-NZ 2.95Å
506	S	93.4	Very high	87.2	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.4	174.7	62.1	0	0	0	0	112.4	N498 F523	N498-S506 PolarHBondContact OD1-OG 3.22Å; S506-F523 CarbonylContact C-O 3.54Å; S506-F523 WeakPolarHBondContact CA-O 3.4Å
507	A	92.7	Very high	87	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.1	170.2	0	0	0	0	0	109.7	E494 F523 L565 T573 L578	E494-A507 WeakPolarHBondContact OE1-CA 3.11Å; A507-F523 HydrophobicContact CB-CB 4.42Å; A507-F523 PolarHBondContact N-O 3.08Å; A507-F523 PolarHBondContact O-N 2.73Å; A507-L565 HydrophobicContact CB-CD1 3.97Å; A507-L565 HydrophobicContact CB-CD2 3.54Å; A507-L565 HydrophobicContact CB-CG 4.36Å; A507-T573 HydrophobicContact CB-CG2 3.64Å; A507-L578 HydrophobicContact CB-CD1 3.56Å
508	V	93	Very high	86.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.6	-178.7	172.7	0	0	0	0	109.9	I481 P490 V493 E494 L497 V520 K521 A522 R575	I481-V508 HydrophobicContact CD1-CG1 3.72Å; P490-V508 HydrophobicContact CB-CB 3.83Å; P490-V508 HydrophobicContact CB-CG1 3.87Å; P490-V508 WeakPolarHBondContact CB-O 3.35Å; V493-V508 HydrophobicContact CB-CB 4.43Å; V493-V508 HydrophobicContact CB-CG1 4.11Å; V493-V508 HydrophobicContact CB-CG2 3.98Å; V493-V508 HydrophobicContact CG1-CG1 4.3Å; V493-V508 HydrophobicContact CG1-CG2 3.83Å; V493-V508 HydrophobicContact CG2-CG1 4.45Å; E494-V508 HydrophobicContact CG-CB 3.84Å; E494-V508 HydrophobicContact CG-CG2 3.62Å; E494-V508 PolarHBondContact OE1-N 2.99Å; L497-V508 HydrophobicContact CD1-CG2 3.67Å; V508-V520 HydrophobicContact CG1-CG1 3.5Å; V508-V520 VanDerWaalsContact CG1-CG1 3.5Å; V508-K521 WeakPolarHBondContact CA-O 3.22Å; V508-A522 HydrophobicContact CG2-CB 4.07Å; V508-R575 WeakPolarHBondContact O-CD 3.37Å
509	V	93.1	Very high	86.8	Confident	1 Å²	1	42 Å²	42	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	164.8	178.9	-59.1	0	0	0	0	110.5	I481 K521 F523 R575 L578 R579 E582	I481-V509 WeakPolarHBondContact CD1-O 3.25Å; V509-K521 PolarHBondContact N-O 3.09Å; V509-K521 PolarHBondContact O-N 3.49Å; V509-F523 HydrophobicContact CG2-CD2 4.1Å; V509-F523 HydrophobicContact CG2-CE2 3.62Å; V509-R575 HydrophobicContact CG1-CB 3.87Å; V509-R575 HydrophobicContact CG1-CG 4.05Å; V509-L578 HydrophobicContact CG1-CB 3.99Å; V509-L578 HydrophobicContact CG2-CB 4.35Å; V509-R579 HydrophobicContact CB-CB 4.27Å; V509-R579 HydrophobicContact CG1-CB 4.48Å; V509-E582 HydrophobicContact CG2-CG 4.32Å
510	S	89.8	Confident	87.1	Confident	5 Å²	5	36.1 Å²	36.1	4%	0.035	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.5	167.8	79.2	0	0	0	0	111.4	E518 W583	S510-E518 WeakPolarHBondContact CB-OE2 3.4Å; S510-E518 PolarHBondContact OG-OE2 3.22Å; S510-W583 PolarHBondContact O-NE1 3.31Å; S510-W583 PolarHBondContact OG-NE1 3.34Å
511	S	91.9	Very high	87.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137	172	179.1	0	0	0	0	108	E518 V519 K558 E582	S511-E518 CarbonylContact O-C 3.55Å; S511-E518 WeakPolarHBondContact O-CA 3.3Å; S511-V519 PolarHBondContact N-O 2.84Å; S511-V519 PolarHBondContact O-N 2.98Å; S511-K558 WeakPolarHBondContact OG-CD 3.49Å; S511-K558 PolarHBondContact OG-NZ 2.85Å; S511-E582 VanDerWaalsContact CB-OE2 3.25Å; S511-E582 WeakPolarHBondContact CB-OE2 3.25Å; S511-E582 PolarHBondContact OG-OE2 2.98Å
512	P	85.6	Confident	87.5	Confident	22 Å²	22	32.2 Å²	32.2	14%	0.143	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	147	-174.2	25.8	-35.1	0	0	0	112.2	K558 W583 I586	P512-K558 PolarHBondContact O-NZ 2.63Å; P512-W583 HydrophobicContact CB-CD2 4.36Å; P512-W583 HydrophobicContact CB-CE3 4.21Å; P512-W583 HydrophobicContact CB-CH2 4.04Å; P512-W583 HydrophobicContact CB-CZ2 4.18Å; P512-W583 HydrophobicContact CB-CZ3 4.05Å; P512-W583 HydrophobicContact CG-CD2 4.43Å; P512-I586 HydrophobicContact CB-CD1 3.57Å; P512-I586 HydrophobicContact CG-CD1 3.45Å; P512-I586 VanDerWaalsContact CG-CD1 3.45Å; P512-I586 HydrophobicContact CG-CG1 4.11Å
513	D	83.4	Confident	87.6	Confident	37 Å²	37	32.2 Å²	32.2	20%	0.198	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	126.7	179.6	-175.8	-73.1	0	0	0	110.6	I515 R516 G517 V519	D513-I515 PolarHBondContact O-N 3.4Å; D513-I515 VanDerWaalsContact O-N 3.15Å; D513-I515 PolarHBondContact OD1-N 3.21Å; D513-R516 HydrophobicContact CB-CB 4.12Å; D513-R516 PolarHBondContact O-N 2.79Å; D513-R516 WeakPolarHBondContact OD1-CB 3.45Å; D513-R516 PolarHBondContact OD1-N 2.85Å; D513-G517 PolarHBondContact N-O 2.88Å; D513-G517 CarbonylContact O-C 3.38Å; D513-G517 WeakPolarHBondContact O-CA 3.28Å; D513-G517 PolarHBondContact O-N 3.12Å; D513-V519 HydrophobicContact CB-CB 4.36Å; D513-V519 HydrophobicContact CB-CG1 3.6Å; D513-V519 HydrophobicContact CB-CG2 4.09Å; D513-V519 WeakPolarHBondContact OD2-CG1 3.41Å
514	P	72.3	Confident	87.7	Confident	136 Å²	136	31.7 Å²	31.7	88%	0.883	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.7	-171.7	27.5	-35.4	0	0	0	114.1
515	I	71.9	Confident	88	Confident	155 Å²	155	30.4 Å²	30.4	80%	0.795	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-36.1	-178.2	-61	172.7	0	0	0	110.6	D513	D513-I515 PolarHBondContact O-N 3.4Å; D513-I515 VanDerWaalsContact O-N 3.15Å; D513-I515 PolarHBondContact OD1-N 3.21Å
516	R	65.9	Low	88.2	Confident	84 Å²	84	27.5 Å²	27.5	32%	0.317	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.7	-171.4	-58.1	-168.7	162.4	-104.3	-2.9	114.2	S484 D513 E518 V519	S484-R516 PolarHBondContact N-O 2.62Å; S484-R516 VanDerWaalsContact N-O 3.13Å; S484-R516 VanDerWaalsContact OG-CB 3.31Å; S484-R516 WeakPolarHBondContact OG-CB 3.28Å; S484-R516 WeakPolarHBondContact OG-CD 3.43Å; S484-R516 WeakPolarHBondContact OG-CG 3.45Å; S484-R516 PolarHBondContact OG-NH1 2.86Å; D513-R516 HydrophobicContact CB-CB 4.12Å; D513-R516 PolarHBondContact O-N 2.79Å; D513-R516 WeakPolarHBondContact OD1-CB 3.45Å; D513-R516 PolarHBondContact OD1-N 2.85Å; R516-E518 PolarHBondContact O-N 2.82Å; R516-V519 HydrophobicContact CB-CG1 3.9Å; R516-V519 HydrophobicContact CG-CG1 4.26Å
517	G	74.2	Confident	88.2	Confident	50 Å²	50	29.4 Å²	29.4	52%	0.515	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.1	-65.2	-169.6	0	0	0	0	0	110.2	D513	D513-G517 PolarHBondContact N-O 2.88Å; D513-G517 CarbonylContact O-C 3.38Å; D513-G517 WeakPolarHBondContact O-CA 3.28Å; D513-G517 PolarHBondContact O-N 3.12Å
518	E	81.8	Confident	88.2	Confident	28 Å²	28	33.6 Å²	33.6	13%	0.131	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	162.6	169.2	58.2	-178.7	-162.1	0	0	111.9	I481 L482 S483 S510 S511 R516 W583	I481-E518 WeakPolarHBondContact CA-OE1 3.48Å; I481-E518 HydrophobicContact CG2-CG 4.2Å; L482-E518 HydrophobicContact CB-CG 4.45Å; L482-E518 PolarHBondContact N-OE1 2.8Å; L482-E518 WeakPolarHBondContact O-CG 3.05Å; S483-E518 WeakPolarHBondContact CA-O 3.47Å; S483-E518 WeakPolarHBondContact CB-O 3.18Å; S483-E518 PolarHBondContact OG-O 2.84Å; S510-E518 WeakPolarHBondContact CB-OE2 3.4Å; S510-E518 PolarHBondContact OG-OE2 3.22Å; S511-E518 CarbonylContact O-C 3.55Å; S511-E518 WeakPolarHBondContact O-CA 3.3Å; R516-E518 PolarHBondContact O-N 2.82Å; E518-W583 HydrophobicContact CB-CH2 4.48Å; E518-W583 HydrophobicContact CB-CZ2 3.92Å; E518-W583 VanDerWaalsContact OE2-CZ2 3.3Å; E518-W583 WeakPolarHBondContact OE2-CZ2 3.3Å
519	V	89.3	Confident	88.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.5	177.2	-67.2	0	0	0	0	110.9	S511 D513 R516 K521 R557 K558	S511-V519 PolarHBondContact N-O 2.84Å; S511-V519 PolarHBondContact O-N 2.98Å; D513-V519 HydrophobicContact CB-CB 4.36Å; D513-V519 HydrophobicContact CB-CG1 3.6Å; D513-V519 HydrophobicContact CB-CG2 4.09Å; D513-V519 WeakPolarHBondContact OD2-CG1 3.41Å; R516-V519 HydrophobicContact CB-CG1 3.9Å; R516-V519 HydrophobicContact CG-CG1 4.26Å; V519-K521 PolarHBondContact O-N 2.92Å; V519-R557 HydrophobicContact CB-CB 4.15Å; V519-R557 HydrophobicContact CB-CG 4.5Å; V519-R557 HydrophobicContact CG2-CB 4.33Å; V519-K558 HydrophobicContact CG2-CD 4.1Å; V519-K558 HydrophobicContact CG2-CG 4.21Å
520	V	92.9	Very high	88.2	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	120	173.4	-174.1	0	0	0	0	109.5	I481 I488 V493 V508 P556 R557 K558	I481-V520 HydrophobicContact CD1-CB 4.45Å; I481-V520 HydrophobicContact CD1-CG1 4.29Å; I481-V520 HydrophobicContact CD1-CG2 4.26Å; I481-V520 HydrophobicContact CG2-CG2 4.27Å; I488-V520 HydrophobicContact CB-CG2 4.42Å; I488-V520 HydrophobicContact CD1-CG2 3.52Å; I488-V520 HydrophobicContact CG2-CG2 3.99Å; V493-V520 HydrophobicContact CG1-CG1 4.04Å; V493-V520 HydrophobicContact CG2-CG1 4.23Å; V508-V520 HydrophobicContact CG1-CG1 3.5Å; V508-V520 VanDerWaalsContact CG1-CG1 3.5Å; V520-P556 HydrophobicContact CG1-CB 4.14Å; V520-P556 CarbonylContact O-C 3.53Å; V520-P556 WeakPolarHBondContact O-CA 3.33Å; V520-R557 PolarHBondContact O-N 3.25Å; V520-K558 PolarHBondContact O-N 3.26Å
521	K	96.9	Very high	88.1	Confident	17 Å²	17	48.5 Å²	48.5	7%	0.074	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.6	166.5	179.6	170.9	-179.5	173.1	0	110.4	V508 V509 V519 F523 K558 E560 E582	V508-K521 WeakPolarHBondContact CA-O 3.22Å; V509-K521 PolarHBondContact N-O 3.09Å; V509-K521 PolarHBondContact O-N 3.49Å; V519-K521 PolarHBondContact O-N 2.92Å; K521-F523 HydrophobicContact CD-CE2 3.86Å; K521-F523 HydrophobicContact CD-CZ 3.95Å; K521-F523 VanDerWaalsContact CE-CZ 3.5Å; K521-F523 HydrophobicContact CG-CD2 4.42Å; K521-F523 HydrophobicContact CG-CE2 4.14Å; K521-K558 VanDerWaalsContact CA-O 3.29Å; K521-K558 WeakPolarHBondContact CA-O 3.37Å; K521-K558 HydrophobicContact CB-CB 4Å; K521-K558 HydrophobicContact CD-CB 4.16Å; K521-K558 HydrophobicContact CG-CB 3.85Å; K521-E560 WeakPolarHBondContact CE-OE2 3.49Å; K521-E560 IonicContact NZ-OE2 3.78Å; K521-E560 PolarHBondContact NZ-OE2 2.79Å; K521-E582 HydrophobicContact CD-CG 4.1Å; K521-E582 WeakPolarHBondContact CD-OE2 3.42Å; K521-E582 IonicContact NZ-OE1 3.42Å; K521-E582 PolarHBondContact NZ-OE1 3.43Å; K521-E582 IonicContact NZ-OE2 2.66Å; K521-E582 PolarHBondContact NZ-OE2 3.02Å
522	A	97.1	Very high	88	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.4	169.9	0	0	0	0	0	110.8	L497 V508 I524 P556 K558 V559 E560	L497-A522 HydrophobicContact CD1-CB 3.61Å; V508-A522 HydrophobicContact CG2-CB 4.07Å; A522-I524 HydrophobicContact CB-CD1 4.16Å; A522-I524 HydrophobicContact CB-CG1 4.05Å; A522-P556 HydrophobicContact CB-CB 3.63Å; A522-P556 HydrophobicContact CB-CG 4.1Å; A522-K558 PolarHBondContact N-O 3.24Å; A522-V559 CarbonylContact O-C 3.5Å; A522-V559 WeakPolarHBondContact O-CA 3.29Å; A522-E560 PolarHBondContact O-N 2.88Å
523	F	97.3	Very high	88.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.2	160.3	-67.9	-92.5	0	0	0	107.8	S506 A507 V509 K521 E560 I562 L565 L578 E582	S506-F523 CarbonylContact C-O 3.54Å; S506-F523 WeakPolarHBondContact CA-O 3.4Å; A507-F523 HydrophobicContact CB-CB 4.42Å; A507-F523 PolarHBondContact N-O 3.08Å; A507-F523 PolarHBondContact O-N 2.73Å; V509-F523 HydrophobicContact CG2-CD2 4.1Å; V509-F523 HydrophobicContact CG2-CE2 3.62Å; K521-F523 HydrophobicContact CD-CE2 3.86Å; K521-F523 HydrophobicContact CD-CZ 3.95Å; K521-F523 VanDerWaalsContact CE-CZ 3.5Å; K521-F523 HydrophobicContact CG-CD2 4.42Å; K521-F523 HydrophobicContact CG-CE2 4.14Å; F523-E560 WeakPolarHBondContact CA-O 3.4Å; F523-E560 HydrophobicContact CD1-CB 3.96Å; F523-E560 HydrophobicContact CD1-CG 4.22Å; F523-E560 HydrophobicContact CE1-CB 4.14Å; F523-E560 VanDerWaalsContact CE1-CD 3.43Å; F523-E560 HydrophobicContact CE1-CG 4.24Å; F523-E560 WeakPolarHBondContact CE1-OE1 3.03Å; F523-E560 WeakPolarHBondContact CE1-OE2 3.37Å; F523-I562 HydrophobicContact CB-CD1 4.03Å; F523-I562 HydrophobicContact CB-CG1 4.5Å; F523-I562 HydrophobicContact CD1-CD1 4.06Å; F523-I562 HydrophobicContact CD1-CG2 4.03Å; F523-I562 HydrophobicContact CG-CD1 4.44Å; F523-L565 HydrophobicContact CB-CD2 4.15Å; F523-L578 HydrophobicContact CB-CD1 4.35Å; F523-L578 HydrophobicContact CD1-CD2 3.99Å; F523-L578 HydrophobicContact CD2-CB 4.16Å; F523-L578 HydrophobicContact CD2-CD1 3.92Å; F523-L578 HydrophobicContact CD2-CD2 4.08Å; F523-L578 HydrophobicContact CD2-CG 4.28Å; F523-L578 HydrophobicContact CE1-CD2 4.02Å; F523-L578 HydrophobicContact CE2-CB 3.88Å; F523-L578 HydrophobicContact CE2-CD1 4.48Å; F523-L578 HydrophobicContact CE2-CD2 4.14Å; F523-L578 HydrophobicContact CE2-CG 4.38Å; F523-L578 HydrophobicContact CG-CD1 4.18Å; F523-L578 HydrophobicContact CG-CD2 4Å; F523-L578 HydrophobicContact CZ-CB 4.35Å; F523-L578 HydrophobicContact CZ-CD2 4.09Å; F523-E582 HydrophobicContact CE2-CG 4.34Å; F523-E582 HydrophobicContact CZ-CG 4.23Å; F523-E582 WeakPolarHBondContact CZ-OE1 3.46Å
524	I	97.5	Very high	88.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.2	-171.7	-64.2	-179.6	0	0	0	109.9	L497 V503 A522 L526 I542 V559 E560 F561 I562	L497-I524 HydrophobicContact CD2-CD1 3.89Å; V503-I524 HydrophobicContact CB-CG2 4.5Å; V503-I524 HydrophobicContact CG1-CG2 4.31Å; V503-I524 HydrophobicContact CG2-CD1 4.35Å; V503-I524 HydrophobicContact CG2-CG2 3.97Å; A522-I524 HydrophobicContact CB-CD1 4.16Å; A522-I524 HydrophobicContact CB-CG1 4.05Å; I524-L526 HydrophobicContact CG2-CD2 4.04Å; I524-I542 HydrophobicContact CD1-CD1 4.01Å; I524-I542 HydrophobicContact CD1-CG2 3.92Å; I524-V559 HydrophobicContact CD1-CG1 3.76Å; I524-V559 HydrophobicContact CG1-CG1 4.32Å; I524-E560 PolarHBondContact N-O 2.72Å; I524-F561 HydrophobicContact CB-CD1 3.86Å; I524-F561 HydrophobicContact CB-CE1 4.1Å; I524-F561 HydrophobicContact CD1-CE1 4.4Å; I524-F561 HydrophobicContact CG2-CD1 3.93Å; I524-F561 HydrophobicContact CG2-CE1 3.97Å; I524-F561 WeakPolarHBondContact O-CA 3.32Å; I524-I562 PolarHBondContact O-N 3.14Å
525	V	96.5	Very high	89.7	Confident	19 Å²	19	58.4 Å²	58.4	12%	0.115	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.7	163.8	-177.5	0	0	0	0	107.1	A504 E505 I562 L565	A504-V525 HydrophobicContact CB-CG1 4.33Å; A504-V525 WeakPolarHBondContact CB-O 3.47Å; A504-V525 PolarHBondContact N-O 3.14Å; E505-V525 HydrophobicContact CB-CB 4.17Å; E505-V525 HydrophobicContact CB-CG2 4.3Å; E505-V525 PolarHBondContact N-O 3.02Å; E505-V525 PolarHBondContact O-N 2.88Å; V525-I562 HydrophobicContact CG2-CG1 4.38Å; V525-L565 HydrophobicContact CG2-CD2 4.39Å; V525-L565 HydrophobicContact CG2-CG 4.07Å
526	L	96.3	Very high	90.7	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.2	-179.2	-70.2	175.9	0	0	0	112.3	S502 I524 K531 L538 F561	S502-L526 CarbonylContact O-C 3.48Å; S502-L526 VanDerWaalsContact O-CA 3.32Å; S502-L526 WeakPolarHBondContact O-CA 3.34Å; S502-L526 WeakPolarHBondContact O-CD2 3.32Å; I524-L526 HydrophobicContact CG2-CD2 4.04Å; L526-K531 HydrophobicContact CB-CG 4.29Å; L526-L538 HydrophobicContact CD1-CD2 3.95Å; L526-L538 HydrophobicContact CD2-CD2 3.7Å; L526-F561 HydrophobicContact CD1-CB 4.48Å; L526-F561 HydrophobicContact CD1-CD1 3.83Å; L526-F561 HydrophobicContact CD1-CD2 4.25Å; L526-F561 HydrophobicContact CD1-CE1 4.09Å; L526-F561 HydrophobicContact CD1-CE2 4.45Å; L526-F561 HydrophobicContact CD1-CG 3.93Å; L526-F561 HydrophobicContact CD1-CZ 4.39Å; L526-F561 HydrophobicContact CD2-CD1 3.8Å; L526-F561 HydrophobicContact CD2-CE1 3.55Å; L526-F561 HydrophobicContact CD2-CZ 4.24Å; L526-F561 HydrophobicContact CG-CD1 3.64Å; L526-F561 HydrophobicContact CG-CE1 3.93Å; L526-F561 HydrophobicContact CG-CG 4.2Å
527	N	93.3	Very high	92.1	Very high	50 Å²	50	57.3 Å²	57.3	27%	0.267	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-58.4	144	164.9	-82.2	-41.1	0	0	0	110	P501 S502 V503 A504 D529 Y530	P501-N527 PolarHBondContact O-ND2 3.28Å; S502-N527 PolarHBondContact O-N 3.05Å; V503-N527 PolarHBondContact O-ND2 2.7Å; A504-N527 VanDerWaalsContact CB-OD1 3.27Å; A504-N527 WeakPolarHBondContact CB-OD1 3.33Å; N527-D529 VanDerWaalsContact C-N 3.26Å; N527-D529 PolarHBondContact O-N 3.21Å; N527-D529 VanDerWaalsContact O-N 3.15Å; N527-Y530 HydrophobicContact CB-CD2 4.07Å; N527-Y530 PolarHBondContact O-N 2.82Å
528	P	91.1	Very high	93.1	Very high	88 Å²	88	55.1 Å²	55.1	57%	0.571	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-51.4	-42.6	-171.9	-29.2	36.2	0	0	0	114.3	Y530 K531	P528-Y530 PolarHBondContact O-N 3.48Å; P528-K531 WeakPolarHBondContact O-CB 3.17Å; P528-K531 PolarHBondContact O-N 3.31Å; P528-K531 VanDerWaalsContact O-N 3.16Å
529	D	93.2	Very high	93.9	Very high	128 Å²	128	55.7 Å²	55.7	68%	0.684	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-65.1	-21.1	-176.5	-49.7	-33.5	0	0	0	113.2	N527 H533	N527-D529 VanDerWaalsContact C-N 3.26Å; N527-D529 PolarHBondContact O-N 3.21Å; N527-D529 VanDerWaalsContact O-N 3.15Å; D529-H533 PolarHBondContact O-CE1 3.38Å; D529-H533 PolarHBondContact O-ND1 3.39Å
530	Y	93.1	Very high	94.2	Very high	62 Å²	62	60.7 Å²	60.7	24%	0.243	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-96.4	-4.7	-179.3	-70	-90.8	0	0	0	113.7	P501 S502 N527 P528 S532 H533 L538	P501-Y530 HydrophobicContact CB-CE2 4.41Å; P501-Y530 WeakPolarHBondContact O-CE2 3.46Å; S502-Y530 VanDerWaalsContact CB-CD1 3.48Å; S502-Y530 VanDerWaalsContact CB-CG 3.48Å; N527-Y530 HydrophobicContact CB-CD2 4.07Å; N527-Y530 PolarHBondContact O-N 2.82Å; P528-Y530 PolarHBondContact O-N 3.48Å; Y530-S532 VanDerWaalsContact C-N 3.25Å; Y530-S532 PolarHBondContact O-N 3.03Å; Y530-H533 AromaticContact CD1-CD2 3.91Å; Y530-H533 AromaticContact CD1-NE2 3.83Å; Y530-H533 PolarHBondContact O-N 3Å; Y530-L538 HydrophobicContact CD1-CD1 4.37Å
531	K	88.5	Confident	94.3	Very high	129 Å²	129	64.4 Å²	64.4	56%	0.561	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.2	-175.8	-70.3	-177.7	176.7	-178.8	0	114.5	L526 P528	L526-K531 HydrophobicContact CB-CG 4.29Å; P528-K531 WeakPolarHBondContact O-CB 3.17Å; P528-K531 PolarHBondContact O-N 3.31Å; P528-K531 VanDerWaalsContact O-N 3.16Å
532	S	90.4	Very high	94.3	Very high	109 Å²	109	63.6 Å²	63.6	76%	0.762	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-3.1	179.5	54.1	0	0	0	0	114.3	Y530	Y530-S532 VanDerWaalsContact C-N 3.25Å; Y530-S532 PolarHBondContact O-N 3.03Å
533	H	90.9	Very high	94.2	Very high	89 Å²	89	65 Å²	65	41%	0.412	33%	0.329	S	S	.	.	S	Bend	trans	-74.5	158.5	-179.8	-70.7	45.9	0	0	0	111.3	D529 Y530 Q535	D529-H533 PolarHBondContact O-CE1 3.38Å; D529-H533 PolarHBondContact O-ND1 3.39Å; Y530-H533 AromaticContact CD1-CD2 3.91Å; Y530-H533 AromaticContact CD1-NE2 3.83Å; Y530-H533 PolarHBondContact O-N 3Å; H533-Q535 PolarHBondContact O-N 3.15Å; H533-Q535 VanDerWaalsContact O-N 3.1Å
534	D	94.1	Very high	94.1	Very high	104 Å²	104	69 Å²	69	56%	0.556	35%	0.347	S	S	*	.			trans	-59.4	114.8	169.9	174.6	1.2	0	0	0	109.7	E536 Q537 L538	D534-E536 PolarHBondContact OD1-N 3.19Å; D534-Q537 HydrophobicContact CB-CB 4.03Å; D534-Q537 PolarHBondContact O-N 3.16Å; D534-Q537 PolarHBondContact OD1-N 3.32Å; D534-Q537 WeakPolarHBondContact OD2-CB 3.32Å; D534-L538 VanDerWaalsContact O-CB 3.25Å; D534-L538 WeakPolarHBondContact O-CB 3.42Å; D534-L538 PolarHBondContact O-N 3.03Å
535	Q	91.8	Very high	93.8	Very high	100 Å²	100	71 Å²	71	47%	0.467	36%	0.357	S	S	.	.	H	α-helix	trans	-69.8	-32.9	-175.6	-67.3	-172.3	9.1	0	0	112.5	H533 I539 F561	H533-Q535 PolarHBondContact O-N 3.15Å; H533-Q535 VanDerWaalsContact O-N 3.1Å; Q535-I539 WeakPolarHBondContact O-CB 3.37Å; Q535-I539 WeakPolarHBondContact O-CD1 3.43Å; Q535-I539 WeakPolarHBondContact O-CG1 3.36Å; Q535-I539 PolarHBondContact O-N 3.27Å; Q535-F561 HydrophobicContact CB-CD2 3.96Å; Q535-F561 HydrophobicContact CB-CE2 3.78Å; Q535-F561 HydrophobicContact CG-CD2 3.92Å; Q535-F561 HydrophobicContact CG-CE2 4.05Å
536	E	93.5	Very high	93.2	Very high	135 Å²	135	70 Å²	70	63%	0.631	35%	0.351	S	S	*	.	H	α-helix	trans	-70.1	-41.1	177.9	-71	-163.8	-174.6	0	0	111.5	D534 K540	D534-E536 PolarHBondContact OD1-N 3.19Å; E536-K540 WeakPolarHBondContact O-CG 3.43Å; E536-K540 PolarHBondContact O-N 3.38Å
537	Q	94.7	Very high	92.8	Very high	82 Å²	82	72.3 Å²	72.3	38%	0.383	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-44.6	174.9	-179.7	55.3	24.5	0	0	111	D534 I539 K540 E541	D534-Q537 HydrophobicContact CB-CB 4.03Å; D534-Q537 PolarHBondContact O-N 3.16Å; D534-Q537 PolarHBondContact OD1-N 3.32Å; D534-Q537 WeakPolarHBondContact OD2-CB 3.32Å; Q537-I539 VanDerWaalsContact C-N 3.32Å; Q537-I539 PolarHBondContact O-N 2.94Å; Q537-K540 WeakPolarHBondContact O-CB 3.09Å; Q537-K540 PolarHBondContact O-N 3.23Å; Q537-K540 VanDerWaalsContact O-N 3.1Å; Q537-E541 WeakPolarHBondContact CG-OE1 3.43Å; Q537-E541 PolarHBondContact NE2-OE1 3.47Å; Q537-E541 WeakPolarHBondContact O-CG 3.21Å; Q537-E541 PolarHBondContact O-N 3.46Å
538	L	95.6	Very high	92.3	Very high	3 Å²	3	78 Å²	78	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-63.9	-34.7	178.1	-170.9	61.2	0	0	0	112.7	L526 Y530 D534 E541 I542 F561	L526-L538 HydrophobicContact CD1-CD2 3.95Å; L526-L538 HydrophobicContact CD2-CD2 3.7Å; Y530-L538 HydrophobicContact CD1-CD1 4.37Å; D534-L538 VanDerWaalsContact O-CB 3.25Å; D534-L538 WeakPolarHBondContact O-CB 3.42Å; D534-L538 PolarHBondContact O-N 3.03Å; L538-E541 PolarHBondContact O-N 2.83Å; L538-I542 HydrophobicContact CD1-CD1 4.46Å; L538-I542 HydrophobicContact CG-CD1 4.02Å; L538-I542 WeakPolarHBondContact O-CB 2.91Å; L538-I542 WeakPolarHBondContact O-CD1 3.19Å; L538-I542 VanDerWaalsContact O-CG1 3.22Å; L538-I542 WeakPolarHBondContact O-CG1 3.4Å; L538-I542 PolarHBondContact O-N 2.87Å; L538-F561 HydrophobicContact CB-CZ 4.35Å; L538-F561 HydrophobicContact CD2-CZ 4.04Å; L538-F561 HydrophobicContact CG-CZ 4.11Å
539	I	97	Very high	91.4	Very high	41 Å²	41	76.3 Å²	76.3	21%	0.21	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-45.1	172	-74.1	166.9	0	0	0	110.8	Q535 Q537 I542 Q543 V559 F561	Q535-I539 WeakPolarHBondContact O-CB 3.37Å; Q535-I539 WeakPolarHBondContact O-CD1 3.43Å; Q535-I539 WeakPolarHBondContact O-CG1 3.36Å; Q535-I539 PolarHBondContact O-N 3.27Å; Q537-I539 VanDerWaalsContact C-N 3.32Å; Q537-I539 PolarHBondContact O-N 2.94Å; I539-I542 PolarHBondContact O-N 2.94Å; I539-Q543 HydrophobicContact CG2-CG 4.44Å; I539-Q543 WeakPolarHBondContact O-CB 3.18Å; I539-Q543 VanDerWaalsContact O-CG 3.26Å; I539-Q543 WeakPolarHBondContact O-CG 3.38Å; I539-Q543 PolarHBondContact O-N 2.87Å; I539-V559 HydrophobicContact CD1-CB 4.31Å; I539-V559 HydrophobicContact CG1-CB 3.93Å; I539-V559 HydrophobicContact CG1-CG1 3.92Å; I539-V559 HydrophobicContact CG2-CB 4.04Å; I539-V559 HydrophobicContact CG2-CG2 4.08Å; I539-F561 HydrophobicContact CD1-CE2 3.97Å; I539-F561 HydrophobicContact CG1-CE2 3.58Å; I539-F561 HydrophobicContact CG1-CZ 3.68Å
540	K	96.6	Very high	90.4	Very high	104 Å²	104	71.9 Å²	71.9	45%	0.452	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-43.5	177.9	-65.4	161.1	-165.7	157.9	0	110.9	E536 Q537 Q543 E544	E536-K540 WeakPolarHBondContact O-CG 3.43Å; E536-K540 PolarHBondContact O-N 3.38Å; Q537-K540 WeakPolarHBondContact O-CB 3.09Å; Q537-K540 PolarHBondContact O-N 3.23Å; Q537-K540 VanDerWaalsContact O-N 3.1Å; K540-Q543 PolarHBondContact O-N 2.92Å; K540-E544 WeakPolarHBondContact O-CB 3.48Å; K540-E544 WeakPolarHBondContact O-CG 3.44Å; K540-E544 PolarHBondContact O-N 3.06Å
541	E	95.8	Very high	88.8	Confident	80 Å²	80	70.5 Å²	70.5	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-46.9	177.4	-72.9	169.6	-170.2	0	0	112.4	Q537 L538 Q543 E544 H545	Q537-E541 WeakPolarHBondContact CG-OE1 3.43Å; Q537-E541 PolarHBondContact NE2-OE1 3.47Å; Q537-E541 WeakPolarHBondContact O-CG 3.21Å; Q537-E541 PolarHBondContact O-N 3.46Å; L538-E541 PolarHBondContact O-N 2.83Å; E541-Q543 PolarHBondContact O-N 3.06Å; E541-E544 PolarHBondContact O-N 3.33Å; E541-H545 WeakPolarHBondContact O-CB 3.43Å; E541-H545 PolarHBondContact O-N 2.99Å
542	I	95.3	Very high	88.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-42.4	175.3	-69.8	167.5	0	0	0	111	L497 V503 I524 L538 I539 H545 V546 F561	L497-I542 HydrophobicContact CD2-CG2 3.27Å; V503-I542 HydrophobicContact CG2-CD1 4.46Å; I524-I542 HydrophobicContact CD1-CD1 4.01Å; I524-I542 HydrophobicContact CD1-CG2 3.92Å; L538-I542 HydrophobicContact CD1-CD1 4.46Å; L538-I542 HydrophobicContact CG-CD1 4.02Å; L538-I542 WeakPolarHBondContact O-CB 2.91Å; L538-I542 WeakPolarHBondContact O-CD1 3.19Å; L538-I542 VanDerWaalsContact O-CG1 3.22Å; L538-I542 WeakPolarHBondContact O-CG1 3.4Å; L538-I542 PolarHBondContact O-N 2.87Å; I539-I542 PolarHBondContact O-N 2.94Å; I542-H545 PolarHBondContact O-N 3.32Å; I542-V546 WeakPolarHBondContact O-CG2 3.3Å; I542-V546 PolarHBondContact O-N 3.21Å; I542-F561 HydrophobicContact CD1-CE1 3.85Å; I542-F561 HydrophobicContact CD1-CZ 3.98Å
543	Q	95.3	Very high	87.2	Confident	31 Å²	31	67.5 Å²	67.5	15%	0.145	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-43.7	176.7	-76.5	-179.9	-15.8	0	0	112.3	I539 K540 E541 V546 K547 Y555 P556 R557 V559	I539-Q543 HydrophobicContact CG2-CG 4.44Å; I539-Q543 WeakPolarHBondContact O-CB 3.18Å; I539-Q543 VanDerWaalsContact O-CG 3.26Å; I539-Q543 WeakPolarHBondContact O-CG 3.38Å; I539-Q543 PolarHBondContact O-N 2.87Å; K540-Q543 PolarHBondContact O-N 2.92Å; E541-Q543 PolarHBondContact O-N 3.06Å; Q543-V546 PolarHBondContact O-N 3.3Å; Q543-K547 VanDerWaalsContact O-CG 3.3Å; Q543-K547 WeakPolarHBondContact O-CG 3.19Å; Q543-K547 PolarHBondContact O-N 2.88Å; Q543-Y555 HydrophobicContact CB-CD2 4.04Å; Q543-Y555 HydrophobicContact CB-CE2 4.49Å; Q543-Y555 HydrophobicContact CG-CD2 4.03Å; Q543-Y555 HydrophobicContact CG-CE2 4.39Å; Q543-P556 WeakPolarHBondContact CG-O 3.42Å; Q543-P556 PolarHBondContact NE2-O 3.1Å; Q543-R557 PolarHBondContact NE2-O 2.85Å; Q543-V559 HydrophobicContact CG-CG2 4.41Å
544	E	94.6	Very high	86.7	Confident	82 Å²	82	64.3 Å²	64.3	38%	0.383	32%	0.316	S	S	.	.	H	α-helix	trans	-68.4	-33.8	176	-73	-54.3	129.2	0	0	112.7	K540 E541 K547 K548	K540-E544 WeakPolarHBondContact O-CB 3.48Å; K540-E544 WeakPolarHBondContact O-CG 3.44Å; K540-E544 PolarHBondContact O-N 3.06Å; E541-E544 PolarHBondContact O-N 3.33Å; E544-K547 WeakPolarHBondContact OE1-CD 3.25Å; E544-K547 IonicContact OE1-NZ 2.68Å; E544-K547 PolarHBondContact OE1-NZ 2.96Å; E544-K548 WeakPolarHBondContact O-CD 3.39Å; E544-K548 VanDerWaalsContact O-CG 3.28Å; E544-K548 WeakPolarHBondContact O-CG 3.26Å; E544-K548 PolarHBondContact O-N 3Å
545	H	92.3	Very high	86.5	Confident	42 Å²	42	61 Å²	61	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-54.7	171	178.4	85.4	0	0	0	110.4	A496 H500 E541 I542 K547 K548 T549	A496-H545 PolarHBondContact O-CD2 2.83Å; A496-H545 PolarHBondContact O-NE2 2.96Å; H500-H545 AromaticContact CD2-CG 3.64Å; H500-H545 AromaticContact CD2-ND1 3.82Å; E541-H545 WeakPolarHBondContact O-CB 3.43Å; E541-H545 PolarHBondContact O-N 2.99Å; I542-H545 PolarHBondContact O-N 3.32Å; H545-K547 VanDerWaalsContact C-N 3.29Å; H545-K547 PolarHBondContact O-N 2.95Å; H545-K548 WeakPolarHBondContact O-CA 3.41Å; H545-K548 WeakPolarHBondContact O-CB 3.48Å; H545-K548 PolarHBondContact O-N 3.41Å; H545-T549 PolarHBondContact CE1-OG1 2.89Å; H545-T549 PolarHBondContact NE2-OG1 2.83Å; H545-T549 PolarHBondContact O-N 2.66Å; H545-T549 PolarHBondContact O-OG1 3.36Å; H545-T549 VanDerWaalsContact O-OG1 3.05Å
546	V	84.3	Confident	86.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-36.1	-179.2	179.8	0	0	0	0	112	V493 A496 L497 I542 Q543 K548 T549 T550	V493-V546 HydrophobicContact CG1-CG1 4.31Å; A496-V546 HydrophobicContact CB-CG1 4.2Å; A496-V546 HydrophobicContact CB-CG2 4.34Å; L497-V546 HydrophobicContact CD2-CG2 3.6Å; L497-V546 HydrophobicContact CG-CG2 3.93Å; I542-V546 WeakPolarHBondContact O-CG2 3.3Å; I542-V546 PolarHBondContact O-N 3.21Å; Q543-V546 PolarHBondContact O-N 3.3Å; V546-K548 PolarHBondContact O-N 2.71Å; V546-T549 PolarHBondContact O-N 3.18Å; V546-T550 HydrophobicContact CG1-CG2 3.65Å; V546-T550 VanDerWaalsContact O-CG2 3.3Å; V546-T550 WeakPolarHBondContact O-CG2 3.45Å; V546-T550 PolarHBondContact O-N 2.96Å
547	K	87.6	Confident	86.6	Confident	59 Å²	59	53.8 Å²	53.8	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-24.1	173.5	-72.1	172.1	-165.6	171.2	0	114.2	Q543 E544 H545 Y555	Q543-K547 VanDerWaalsContact O-CG 3.3Å; Q543-K547 WeakPolarHBondContact O-CG 3.19Å; Q543-K547 PolarHBondContact O-N 2.88Å; E544-K547 WeakPolarHBondContact OE1-CD 3.25Å; E544-K547 IonicContact OE1-NZ 2.68Å; E544-K547 PolarHBondContact OE1-NZ 2.96Å; H545-K547 VanDerWaalsContact C-N 3.29Å; H545-K547 PolarHBondContact O-N 2.95Å; K547-Y555 HydrophobicContact CD-CG 4.48Å; K547-Y555 VanDerWaalsContact CE-CD2 3.49Å; K547-Y555 HydrophobicContact CG-CD1 4.31Å; K547-Y555 HydrophobicContact CG-CD2 4.32Å; K547-Y555 HydrophobicContact CG-CG 3.9Å
548	K	83.7	Confident	86.7	Confident	169 Å²	169	53.4 Å²	53.4	74%	0.735	26%	0.255	S	S	*	.	H	α-helix	trans	-90.1	-36.2	177	-69.1	167.1	-173.7	174.8	0	111.9	E544 H545 V546	E544-K548 WeakPolarHBondContact O-CD 3.39Å; E544-K548 VanDerWaalsContact O-CG 3.28Å; E544-K548 WeakPolarHBondContact O-CG 3.26Å; E544-K548 PolarHBondContact O-N 3Å; H545-K548 WeakPolarHBondContact O-CA 3.41Å; H545-K548 WeakPolarHBondContact O-CB 3.48Å; H545-K548 PolarHBondContact O-N 3.41Å; V546-K548 PolarHBondContact O-N 2.71Å
549	T	71	Confident	86.8	Confident	54 Å²	54	54.3 Å²	54.3	33%	0.331	26%	0.261	S	S	.	.	H	α-helix	trans	-82.1	-27.4	-176.4	-51.3	0	0	0	0	113.1	A496 E499 H545 V546	A496-T549 HydrophobicContact CB-CG2 3.9Å; E499-T549 VanDerWaalsContact OE2-CG2 3.25Å; E499-T549 WeakPolarHBondContact OE2-CG2 3.27Å; H545-T549 PolarHBondContact CE1-OG1 2.89Å; H545-T549 PolarHBondContact NE2-OG1 2.83Å; H545-T549 PolarHBondContact O-N 2.66Å; H545-T549 PolarHBondContact O-OG1 3.36Å; H545-T549 VanDerWaalsContact O-OG1 3.05Å; V546-T549 PolarHBondContact O-N 3.18Å
550	T	72.1	Confident	86.8	Confident	34 Å²	34	54.8 Å²	54.8	21%	0.209	26%	0.262	C	S	.	.	S	Bend	trans	-139.8	176.4	177.9	-165.1	0	0	0	0	112.3	A496 V546 K554	A496-T550 HydrophobicContact CB-CG2 4.24Å; V546-T550 HydrophobicContact CG1-CG2 3.65Å; V546-T550 VanDerWaalsContact O-CG2 3.3Å; V546-T550 WeakPolarHBondContact O-CG2 3.45Å; V546-T550 PolarHBondContact O-N 2.96Å; T550-K554 HydrophobicContact CG2-CB 4.02Å
551	A	59.4	Low	86.8	Confident	34 Å²	34	51.6 Å²	51.6	28%	0.281	25%	0.249	S	C	.	.			trans	-56.9	126.2	-177.7	0	0	0	0	0	111	Y553 K554	A551-Y553 HydrophobicContact CB-CD1 3.88Å; A551-Y553 HydrophobicContact CB-CE1 3.44Å; A551-Y553 VanDerWaalsContact CB-CE1 3.44Å; A551-Y553 PolarHBondContact O-N 3.38Å; A551-K554 HydrophobicContact CB-CD 4.43Å; A551-K554 HydrophobicContact CB-CG 4.4Å; A551-K554 WeakPolarHBondContact O-CB 3.4Å; A551-K554 PolarHBondContact O-N 2.82Å
552	P	76.8	Confident	86.8	Confident	87 Å²	87	49.5 Å²	49.5	57%	0.565	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-8.5	-168.6	-29.5	35.1	0	0	0	117.5	Y555	P552-Y555 WeakPolarHBondContact O-CD1 3.17Å
553	Y	69.7	Low	86.7	Confident	87 Å²	87	58.5 Å²	58.5	34%	0.341	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-17	171.4	64.7	-97.9	0	0	0	113.4	Y486 I488 A551	Y486-Y553 HydrophobicContact CD1-CD1 4.01Å; Y486-Y553 AromaticContact CD1-CD2 3.59Å; Y486-Y553 HydrophobicContact CD1-CD2 3.59Å; Y486-Y553 HydrophobicContact CD1-CE1 4.16Å; Y486-Y553 AromaticContact CD1-CE2 3.76Å; Y486-Y553 HydrophobicContact CD1-CE2 3.76Å; Y486-Y553 AromaticContact CD1-CG 3.73Å; Y486-Y553 HydrophobicContact CD1-CG 3.73Å; Y486-Y553 AromaticContact CE1-CD1 3.97Å; Y486-Y553 HydrophobicContact CE1-CD1 3.97Å; Y486-Y553 HydrophobicContact CE1-CD2 4.34Å; Y486-Y553 HydrophobicContact CE1-CE1 4.27Å; Y486-Y553 HydrophobicContact CE1-CG 4.02Å; Y486-Y553 AromaticContact CG-CD2 3.71Å; Y486-Y553 HydrophobicContact CG-CD2 3.71Å; Y486-Y553 HydrophobicContact CG-CE2 4.18Å; Y486-Y553 HydrophobicContact CG-CG 4.03Å; I488-Y553 HydrophobicContact CD1-CD2 4.25Å; I488-Y553 HydrophobicContact CG1-CD2 4.14Å; I488-Y553 HydrophobicContact CG1-CE2 4.19Å; A551-Y553 HydrophobicContact CB-CD1 3.88Å; A551-Y553 HydrophobicContact CB-CE1 3.44Å; A551-Y553 VanDerWaalsContact CB-CE1 3.44Å; A551-Y553 PolarHBondContact O-N 3.38Å
554	K	79	Confident	86.5	Confident	23 Å²	23	64.4 Å²	64.4	10%	0.1	31%	0.309	C	S	.	.	S	Bend	trans	-86.2	-9.7	-176.2	-58.1	-172	-177.3	-173.4	0	114.4	I488 E492 V493 T550 A551	I488-K554 HydrophobicContact CG1-CG 4.42Å; I488-K554 HydrophobicContact CG2-CB 4.14Å; I488-K554 HydrophobicContact CG2-CG 4.13Å; E492-K554 IonicContact OE1-NZ 2.8Å; E492-K554 PolarHBondContact OE1-NZ 3.43Å; E492-K554 VanDerWaalsContact OE1-NZ 3.14Å; E492-K554 WeakPolarHBondContact OE2-CE 3.29Å; E492-K554 IonicContact OE2-NZ 3.43Å; E492-K554 PolarHBondContact OE2-NZ 3.15Å; V493-K554 HydrophobicContact CG2-CB 4.14Å; V493-K554 VanDerWaalsContact CG2-O 3.27Å; V493-K554 WeakPolarHBondContact CG2-O 3.35Å; T550-K554 HydrophobicContact CG2-CB 4.02Å; A551-K554 HydrophobicContact CB-CD 4.43Å; A551-K554 HydrophobicContact CB-CG 4.4Å; A551-K554 WeakPolarHBondContact O-CB 3.4Å; A551-K554 PolarHBondContact O-N 2.82Å
555	Y	89.8	Confident	86.4	Confident	35 Å²	35	60.8 Å²	60.8	14%	0.137	29%	0.292	C	S	.	.	S	Bend	trans	-62.7	146.2	-174.5	86.7	-72.1	0	0	0	113.1	Q543 K547 P552 R557	Q543-Y555 HydrophobicContact CB-CD2 4.04Å; Q543-Y555 HydrophobicContact CB-CE2 4.49Å; Q543-Y555 HydrophobicContact CG-CD2 4.03Å; Q543-Y555 HydrophobicContact CG-CE2 4.39Å; K547-Y555 HydrophobicContact CD-CG 4.48Å; K547-Y555 VanDerWaalsContact CE-CD2 3.49Å; K547-Y555 HydrophobicContact CG-CD1 4.31Å; K547-Y555 HydrophobicContact CG-CD2 4.32Å; K547-Y555 HydrophobicContact CG-CG 3.9Å; P552-Y555 WeakPolarHBondContact O-CD1 3.17Å; Y555-R557 HydrophobicContact CE1-CG 3.98Å; Y555-R557 HydrophobicContact CE2-CG 4.15Å; Y555-R557 PolarHBondContact O-N 2.92Å; Y555-R557 PolarHBondContact OH-NH1 2.97Å; Y555-R557 VanDerWaalsContact OH-NH1 3.1Å
556	P	94.9	Very high	86.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.294	C	S	.	.			trans	-71.3	104.2	179.3	29.2	-34.5	0	0	0	110.7	L497 V520 A522 Q543 K558 V559	L497-P556 HydrophobicContact CD2-CG 4.29Å; V520-P556 HydrophobicContact CG1-CB 4.14Å; V520-P556 CarbonylContact O-C 3.53Å; V520-P556 WeakPolarHBondContact O-CA 3.33Å; A522-P556 HydrophobicContact CB-CB 3.63Å; A522-P556 HydrophobicContact CB-CG 4.1Å; Q543-P556 WeakPolarHBondContact CG-O 3.42Å; Q543-P556 PolarHBondContact NE2-O 3.1Å; P556-K558 PolarHBondContact O-N 3.38Å; P556-V559 HydrophobicContact CB-CG2 4.17Å; P556-V559 HydrophobicContact CG-CG2 4.15Å
557	R	94.3	Very high	85.9	Confident	82 Å²	82	64.2 Å²	64.2	31%	0.309	31%	0.31	S	S	.	.	S	Bend	trans	-65.6	-27.4	177.2	-71.1	179.6	175.3	-77.6	-12.4	112.6	V519 V520 Q543 Y555	V519-R557 HydrophobicContact CB-CB 4.15Å; V519-R557 HydrophobicContact CB-CG 4.5Å; V519-R557 HydrophobicContact CG2-CB 4.33Å; V520-R557 PolarHBondContact O-N 3.25Å; Q543-R557 PolarHBondContact NE2-O 2.85Å; Y555-R557 HydrophobicContact CE1-CG 3.98Å; Y555-R557 HydrophobicContact CE2-CG 4.15Å; Y555-R557 PolarHBondContact O-N 2.92Å; Y555-R557 PolarHBondContact OH-NH1 2.97Å; Y555-R557 VanDerWaalsContact OH-NH1 3.1Å
558	K	96.7	Very high	85	Confident	74 Å²	74	63 Å²	63	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.2	172.9	-57.8	-179.9	-170.3	176.6	0	108.8	S511 P512 V519 V520 K521 A522 P556	S511-K558 WeakPolarHBondContact OG-CD 3.49Å; S511-K558 PolarHBondContact OG-NZ 2.85Å; P512-K558 PolarHBondContact O-NZ 2.63Å; V519-K558 HydrophobicContact CG2-CD 4.1Å; V519-K558 HydrophobicContact CG2-CG 4.21Å; V520-K558 PolarHBondContact O-N 3.26Å; K521-K558 VanDerWaalsContact CA-O 3.29Å; K521-K558 WeakPolarHBondContact CA-O 3.37Å; K521-K558 HydrophobicContact CB-CB 4Å; K521-K558 HydrophobicContact CD-CB 4.16Å; K521-K558 HydrophobicContact CG-CB 3.85Å; A522-K558 PolarHBondContact N-O 3.24Å; P556-K558 PolarHBondContact O-N 3.38Å
559	V	97.2	Very high	84	Confident	23 Å²	23	57.7 Å²	57.7	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.6	174.4	179.5	0	0	0	0	108.1	A522 I524 I539 Q543 P556 F561	A522-V559 CarbonylContact O-C 3.5Å; A522-V559 WeakPolarHBondContact O-CA 3.29Å; I524-V559 HydrophobicContact CD1-CG1 3.76Å; I524-V559 HydrophobicContact CG1-CG1 4.32Å; I539-V559 HydrophobicContact CD1-CB 4.31Å; I539-V559 HydrophobicContact CG1-CB 3.93Å; I539-V559 HydrophobicContact CG1-CG1 3.92Å; I539-V559 HydrophobicContact CG2-CB 4.04Å; I539-V559 HydrophobicContact CG2-CG2 4.08Å; Q543-V559 HydrophobicContact CG-CG2 4.41Å; P556-V559 HydrophobicContact CB-CG2 4.17Å; P556-V559 HydrophobicContact CG-CG2 4.15Å; V559-F561 HydrophobicContact CG1-CD1 4.48Å; V559-F561 HydrophobicContact CG1-CE1 4.06Å; V559-F561 HydrophobicContact CG1-CZ 4.31Å
560	E	96.9	Very high	83.2	Confident	50 Å²	50	56.6 Å²	56.6	23%	0.234	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	118.8	173.6	-174.8	179	136.1	0	0	108.7	K521 A522 F523 I524 I562 K581	K521-E560 WeakPolarHBondContact CE-OE2 3.49Å; K521-E560 IonicContact NZ-OE2 3.78Å; K521-E560 PolarHBondContact NZ-OE2 2.79Å; A522-E560 PolarHBondContact O-N 2.88Å; F523-E560 WeakPolarHBondContact CA-O 3.4Å; F523-E560 HydrophobicContact CD1-CB 3.96Å; F523-E560 HydrophobicContact CD1-CG 4.22Å; F523-E560 HydrophobicContact CE1-CB 4.14Å; F523-E560 VanDerWaalsContact CE1-CD 3.43Å; F523-E560 HydrophobicContact CE1-CG 4.24Å; F523-E560 WeakPolarHBondContact CE1-OE1 3.03Å; F523-E560 WeakPolarHBondContact CE1-OE2 3.37Å; I524-E560 PolarHBondContact N-O 2.72Å; E560-I562 HydrophobicContact CG-CG2 3.86Å; E560-K581 IonicContact OE1-NZ 2.65Å; E560-K581 PolarHBondContact OE1-NZ 3.3Å; E560-K581 IonicContact OE2-NZ 3.71Å
561	F	97.1	Very high	82.8	Confident	38 Å²	38	57 Å²	57	17%	0.167	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.4	172.3	-62.1	-53.6	0	0	0	109.8	I524 L526 Q535 L538 I539 I542 V559	I524-F561 HydrophobicContact CB-CD1 3.86Å; I524-F561 HydrophobicContact CB-CE1 4.1Å; I524-F561 HydrophobicContact CD1-CE1 4.4Å; I524-F561 HydrophobicContact CG2-CD1 3.93Å; I524-F561 HydrophobicContact CG2-CE1 3.97Å; I524-F561 WeakPolarHBondContact O-CA 3.32Å; L526-F561 HydrophobicContact CD1-CB 4.48Å; L526-F561 HydrophobicContact CD1-CD1 3.83Å; L526-F561 HydrophobicContact CD1-CD2 4.25Å; L526-F561 HydrophobicContact CD1-CE1 4.09Å; L526-F561 HydrophobicContact CD1-CE2 4.45Å; L526-F561 HydrophobicContact CD1-CG 3.93Å; L526-F561 HydrophobicContact CD1-CZ 4.39Å; L526-F561 HydrophobicContact CD2-CD1 3.8Å; L526-F561 HydrophobicContact CD2-CE1 3.55Å; L526-F561 HydrophobicContact CD2-CZ 4.24Å; L526-F561 HydrophobicContact CG-CD1 3.64Å; L526-F561 HydrophobicContact CG-CE1 3.93Å; L526-F561 HydrophobicContact CG-CG 4.2Å; Q535-F561 HydrophobicContact CB-CD2 3.96Å; Q535-F561 HydrophobicContact CB-CE2 3.78Å; Q535-F561 HydrophobicContact CG-CD2 3.92Å; Q535-F561 HydrophobicContact CG-CE2 4.05Å; L538-F561 HydrophobicContact CB-CZ 4.35Å; L538-F561 HydrophobicContact CD2-CZ 4.04Å; L538-F561 HydrophobicContact CG-CZ 4.11Å; I539-F561 HydrophobicContact CD1-CE2 3.97Å; I539-F561 HydrophobicContact CG1-CE2 3.58Å; I539-F561 HydrophobicContact CG1-CZ 3.68Å; I542-F561 HydrophobicContact CD1-CE1 3.85Å; I542-F561 HydrophobicContact CD1-CZ 3.98Å; V559-F561 HydrophobicContact CG1-CD1 4.48Å; V559-F561 HydrophobicContact CG1-CE1 4.06Å; V559-F561 HydrophobicContact CG1-CZ 4.31Å
562	I	95.2	Very high	83.3	Confident	36 Å²	36	59.9 Å²	59.9	19%	0.185	30%	0.299	C	S	.	.			trans	-129.9	158.1	179.5	68.6	175.8	0	0	0	111.3	F523 I524 V525 E560 E564 L565	F523-I562 HydrophobicContact CB-CD1 4.03Å; F523-I562 HydrophobicContact CB-CG1 4.5Å; F523-I562 HydrophobicContact CD1-CD1 4.06Å; F523-I562 HydrophobicContact CD1-CG2 4.03Å; F523-I562 HydrophobicContact CG-CD1 4.44Å; I524-I562 PolarHBondContact O-N 3.14Å; V525-I562 HydrophobicContact CG2-CG1 4.38Å; E560-I562 HydrophobicContact CG-CG2 3.86Å; I562-E564 WeakPolarHBondContact CD1-O 3.45Å; I562-L565 HydrophobicContact CD1-CD2 3.97Å; I562-L565 HydrophobicContact CG1-CD2 4.44Å
563	Q	92.5	Very high	83.5	Confident	189 Å²	189	57.4 Å²	57.4	88%	0.883	28%	0.282	S	S	*	.	S	Bend	trans	-71.8	-37.4	-177.7	-63.6	-173.7	2.5	0	0	112.5
564	E	92.1	Very high	84	Confident	154 Å²	154	56.7 Å²	56.7	72%	0.72	28%	0.281	S	S	*	.	S	Bend	trans	-151.4	150.3	177.6	58.5	174.2	-162.4	0	0	111.4	I562	I562-E564 WeakPolarHBondContact CD1-O 3.45Å
565	L	91.4	Very high	84.3	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	28%	0.281	C	S	.	.			trans	-79.2	139.1	170.6	-62.2	179.1	0	0	0	110.3	E505 A507 F523 V525 I562 K567 T573	E505-L565 HydrophobicContact CB-CD1 3.83Å; E505-L565 HydrophobicContact CB-CG 4.38Å; A507-L565 HydrophobicContact CB-CD1 3.97Å; A507-L565 HydrophobicContact CB-CD2 3.54Å; A507-L565 HydrophobicContact CB-CG 4.36Å; F523-L565 HydrophobicContact CB-CD2 4.15Å; V525-L565 HydrophobicContact CG2-CD2 4.39Å; V525-L565 HydrophobicContact CG2-CG 4.07Å; I562-L565 HydrophobicContact CD1-CD2 3.97Å; I562-L565 HydrophobicContact CG1-CD2 4.44Å; L565-K567 PolarHBondContact O-N 2.92Å; L565-T573 HydrophobicContact CB-CG2 4.39Å; L565-T573 HydrophobicContact CD1-CG2 4.21Å
566	P	86.5	Confident	83.9	Confident	35 Å²	35	56.5 Å²	56.5	23%	0.227	28%	0.281	C	S	.	.			trans	-66.1	120.7	172.8	27.7	-33.4	0	0	0	109.7	K574 L578	P566-K574 HydrophobicContact CB-CB 4.5Å; P566-K574 PolarHBondContact O-N 2.68Å; P566-L578 HydrophobicContact CG-CD1 4.18Å; P566-L578 HydrophobicContact CG-CD2 3.68Å; P566-L578 HydrophobicContact CG-CG 3.65Å
567	K	80.8	Confident	83.4	Confident	80 Å²	80	61.2 Å²	61.2	35%	0.348	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-115.7	153.1	-176.7	-72.3	168.3	-175.3	174.3	0	111.7	E505 L565 K572 K574	E505-K567 IonicContact OE1-NZ 3.73Å; E505-K567 PolarHBondContact OE1-NZ 3.45Å; E505-K567 WeakPolarHBondContact OE2-CE 3.2Å; E505-K567 IonicContact OE2-NZ 2.71Å; E505-K567 PolarHBondContact OE2-NZ 2.95Å; L565-K567 PolarHBondContact O-N 2.92Å; K567-K572 CarbonylContact C-O 3.22Å; K567-K572 WeakPolarHBondContact CA-O 3.47Å; K567-K574 VanDerWaalsContact O-CE 3.25Å; K567-K574 WeakPolarHBondContact O-CE 3.36Å
568	T	68.3	Low	83.2	Confident	32 Å²	32	57.8 Å²	57.8	20%	0.196	29%	0.291	C	S	.	.			trans	-68	167.2	164.3	60.5	0	0	0	0	109.8	S570 G571 K572 K574	T568-S570 PolarHBondContact O-N 3.26Å; T568-S570 PolarHBondContact OG1-N 2.94Å; T568-S570 PolarHBondContact OG1-OG 3.36Å; T568-G571 PolarHBondContact O-N 3.37Å; T568-G571 PolarHBondContact OG1-N 2.91Å; T568-K572 HydrophobicContact CG2-CB 4.37Å; T568-K572 PolarHBondContact N-O 2.95Å; T568-K572 WeakPolarHBondContact OG1-CB 3.31Å; T568-K572 PolarHBondContact OG1-N 3.1Å; T568-K572 PolarHBondContact OG1-O 3.34Å; T568-K574 HydrophobicContact CG2-CG 3.83Å
569	I	62	Low	82.8	Confident	59 Å²	59	56.1 Å²	56.1	30%	0.303	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.9	166.6	-63.2	171.5	0	0	0	112.2	T151 Q153 L154 G571	T151-I569 HydrophobicContact CG2-CG2 3.59Å; Q153-I569 HydrophobicContact CB-CG2 3.29Å; Q153-I569 HydrophobicContact CG-CG2 4.13Å; Q153-I569 PolarHBondContact NE2-O 3.43Å; Q153-I569 PolarHBondContact OE1-O 2.62Å; L154-I569 HydrophobicContact CD2-CD1 4.06Å; I569-G571 VanDerWaalsContact C-N 3.34Å
570	S	55.4	Low	82.3	Confident	31 Å²	31	59.6 Å²	59.6	22%	0.217	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	9.4	174.8	51.4	0	0	0	0	115.1	T568 K572	T568-S570 PolarHBondContact O-N 3.26Å; T568-S570 PolarHBondContact OG1-N 2.94Å; T568-S570 PolarHBondContact OG1-OG 3.36Å; S570-K572 VanDerWaalsContact C-N 3.25Å; S570-K572 PolarHBondContact O-N 2.82Å
571	G	63.5	Low	81.8	Confident	43 Å²	43	62 Å²	62	44%	0.443	31%	0.306	S	S	.	.	S	Bend	trans	77.7	-0.6	-179.5	0	0	0	0	0	115.2	T568 I569	T568-G571 PolarHBondContact O-N 3.37Å; T568-G571 PolarHBondContact OG1-N 2.91Å; I569-G571 VanDerWaalsContact C-N 3.34Å
572	K	69.1	Low	81.5	Confident	94 Å²	94	61.1 Å²	61.1	41%	0.409	30%	0.302	S	S	.	.			trans	-79	130.1	-178.4	-62.7	-167.2	167.7	-160.2	0	111.2	G353 K567 T568 S570 K574	G353-K572 PolarHBondContact O-NZ 3.41Å; K567-K572 CarbonylContact C-O 3.22Å; K567-K572 WeakPolarHBondContact CA-O 3.47Å; T568-K572 HydrophobicContact CG2-CB 4.37Å; T568-K572 PolarHBondContact N-O 2.95Å; T568-K572 WeakPolarHBondContact OG1-CB 3.31Å; T568-K572 PolarHBondContact OG1-N 3.1Å; T568-K572 PolarHBondContact OG1-O 3.34Å; S570-K572 VanDerWaalsContact C-N 3.25Å; S570-K572 PolarHBondContact O-N 2.82Å; K572-K574 PolarHBondContact O-N 3.18Å
573	T	81.1	Confident	80.9	Confident	35 Å²	35	64.7 Å²	64.7	22%	0.215	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-56.9	125.6	176.3	-55.6	0	0	0	0	112.2	A507 L565 R575	A507-T573 HydrophobicContact CB-CG2 3.64Å; L565-T573 HydrophobicContact CB-CG2 4.39Å; L565-T573 HydrophobicContact CD1-CG2 4.21Å; T573-R575 HydrophobicContact CG2-CG 4.27Å; T573-R575 PolarHBondContact O-N 2.7Å; T573-R575 VanDerWaalsContact O-N 3.12Å
574	K	80.9	Confident	80	Confident	71 Å²	71	63.7 Å²	63.7	31%	0.309	31%	0.306	S	S	.	.			trans	-85.8	71.2	178.6	-63.5	-178.6	179.2	176.1	0	111.4	P566 K567 T568 K572 N576 E577 L578	P566-K574 HydrophobicContact CB-CB 4.5Å; P566-K574 PolarHBondContact O-N 2.68Å; K567-K574 VanDerWaalsContact O-CE 3.25Å; K567-K574 WeakPolarHBondContact O-CE 3.36Å; T568-K574 HydrophobicContact CG2-CG 3.83Å; K572-K574 PolarHBondContact O-N 3.18Å; K574-N576 PolarHBondContact O-N 2.65Å; K574-N576 VanDerWaalsContact O-N 3.09Å; K574-E577 HydrophobicContact CB-CB 4.24Å; K574-E577 HydrophobicContact CB-CG 4.26Å; K574-E577 HydrophobicContact CD-CG 4.13Å; K574-E577 VanDerWaalsContact CD-OE1 3.25Å; K574-E577 WeakPolarHBondContact CD-OE1 3.17Å; K574-E577 WeakPolarHBondContact CD-OE2 3.4Å; K574-E577 WeakPolarHBondContact CE-OE1 3.3Å; K574-E577 VanDerWaalsContact NZ-CD 3.3Å; K574-E577 IonicContact NZ-OE1 2.7Å; K574-E577 PolarHBondContact NZ-OE1 3.13Å; K574-E577 IonicContact NZ-OE2 2.68Å; K574-E577 PolarHBondContact NZ-OE2 2.67Å; K574-E577 VanDerWaalsContact NZ-OE2 3.14Å; K574-E577 PolarHBondContact O-N 2.83Å; K574-L578 PolarHBondContact O-N 2.81Å
575	R	85.7	Confident	78.3	Confident	26 Å²	26	61.8 Å²	61.8	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-52	-34.6	179.7	-73.4	-171.8	-167.5	79.6	7.7	113.9	F491 E494 V508 V509 T573 E577 L578 R579	F491-R575 VanDerWaalsContact CE1-NH2 3.25Å; F491-R575 VanDerWaalsContact CZ-NH1 3.31Å; E494-R575 IonicContact OE1-CZ 3.18Å; E494-R575 VanDerWaalsContact OE1-CZ 3.26Å; E494-R575 IonicContact OE1-NE 2.63Å; E494-R575 PolarHBondContact OE1-NE 3.2Å; E494-R575 IonicContact OE1-NH2 2.67Å; E494-R575 PolarHBondContact OE1-NH2 2.94Å; E494-R575 IonicContact OE2-CZ 3.56Å; E494-R575 IonicContact OE2-NE 3.26Å; E494-R575 IonicContact OE2-NH2 3.13Å; E494-R575 PolarHBondContact OE2-NH2 2.83Å; V508-R575 WeakPolarHBondContact O-CD 3.37Å; V509-R575 HydrophobicContact CG1-CB 3.87Å; V509-R575 HydrophobicContact CG1-CG 4.05Å; T573-R575 HydrophobicContact CG2-CG 4.27Å; T573-R575 PolarHBondContact O-N 2.7Å; T573-R575 VanDerWaalsContact O-N 3.12Å; R575-E577 VanDerWaalsContact C-N 3.33Å; R575-E577 PolarHBondContact O-N 3.11Å; R575-L578 PolarHBondContact O-N 3.03Å; R575-R579 WeakPolarHBondContact O-CB 3.34Å; R575-R579 PolarHBondContact O-N 3.46Å
576	N	79.8	Confident	76	Confident	29 Å²	29	70 Å²	70	16%	0.155	35%	0.347	C	S	.	.	H	α-helix	trans	-68.1	-25.5	177.1	-165.7	38.2	0	0	0	114.2	T238 K574 R579 K580	T238-N576 VanDerWaalsContact O-CB 3.3Å; T238-N576 WeakPolarHBondContact O-CB 3.33Å; T238-N576 PolarHBondContact O-ND2 2.57Å; K574-N576 PolarHBondContact O-N 2.65Å; K574-N576 VanDerWaalsContact O-N 3.09Å; N576-R579 PolarHBondContact OD1-NH2 3.49Å; N576-K580 VanDerWaalsContact ND2-CE 3.28Å; N576-K580 WeakPolarHBondContact ND2-CE 3.44Å; N576-K580 PolarHBondContact ND2-NZ 3.12Å; N576-K580 WeakPolarHBondContact O-CB 3.21Å; N576-K580 WeakPolarHBondContact O-CG 3.25Å; N576-K580 PolarHBondContact O-N 3.1Å
577	E	85.6	Confident	75.5	Confident	98 Å²	98	71.7 Å²	71.7	46%	0.458	35%	0.353	S	S	.	.	H	α-helix	trans	-72	-42.7	173	-75	-178.8	-174.5	0	0	110.5	K574 R575 K580 K581	K574-E577 HydrophobicContact CB-CB 4.24Å; K574-E577 HydrophobicContact CB-CG 4.26Å; K574-E577 HydrophobicContact CD-CG 4.13Å; K574-E577 VanDerWaalsContact CD-OE1 3.25Å; K574-E577 WeakPolarHBondContact CD-OE1 3.17Å; K574-E577 WeakPolarHBondContact CD-OE2 3.4Å; K574-E577 WeakPolarHBondContact CE-OE1 3.3Å; K574-E577 VanDerWaalsContact NZ-CD 3.3Å; K574-E577 IonicContact NZ-OE1 2.7Å; K574-E577 PolarHBondContact NZ-OE1 3.13Å; K574-E577 IonicContact NZ-OE2 2.68Å; K574-E577 PolarHBondContact NZ-OE2 2.67Å; K574-E577 VanDerWaalsContact NZ-OE2 3.14Å; K574-E577 PolarHBondContact O-N 2.83Å; R575-E577 VanDerWaalsContact C-N 3.33Å; R575-E577 PolarHBondContact O-N 3.11Å; E577-K580 PolarHBondContact O-N 2.91Å; E577-K581 PolarHBondContact O-N 3.47Å
578	L	89.9	Confident	75.2	Confident	10 Å²	10	71.3 Å²	71.3	5%	0.052	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-47.8	172.9	-65.8	174.2	0	0	0	111.7	A507 V509 F523 P566 K574 R575 K580 K581 E582	A507-L578 HydrophobicContact CB-CD1 3.56Å; V509-L578 HydrophobicContact CG1-CB 3.99Å; V509-L578 HydrophobicContact CG2-CB 4.35Å; F523-L578 HydrophobicContact CB-CD1 4.35Å; F523-L578 HydrophobicContact CD1-CD2 3.99Å; F523-L578 HydrophobicContact CD2-CB 4.16Å; F523-L578 HydrophobicContact CD2-CD1 3.92Å; F523-L578 HydrophobicContact CD2-CD2 4.08Å; F523-L578 HydrophobicContact CD2-CG 4.28Å; F523-L578 HydrophobicContact CE1-CD2 4.02Å; F523-L578 HydrophobicContact CE2-CB 3.88Å; F523-L578 HydrophobicContact CE2-CD1 4.48Å; F523-L578 HydrophobicContact CE2-CD2 4.14Å; F523-L578 HydrophobicContact CE2-CG 4.38Å; F523-L578 HydrophobicContact CG-CD1 4.18Å; F523-L578 HydrophobicContact CG-CD2 4Å; F523-L578 HydrophobicContact CZ-CB 4.35Å; F523-L578 HydrophobicContact CZ-CD2 4.09Å; P566-L578 HydrophobicContact CG-CD1 4.18Å; P566-L578 HydrophobicContact CG-CD2 3.68Å; P566-L578 HydrophobicContact CG-CG 3.65Å; K574-L578 PolarHBondContact O-N 2.81Å; R575-L578 PolarHBondContact O-N 3.03Å; L578-K580 PolarHBondContact O-N 2.96Å; L578-K581 VanDerWaalsContact O-CB 3.3Å; L578-K581 WeakPolarHBondContact O-CB 3.37Å; L578-K581 PolarHBondContact O-N 3.42Å; L578-K581 VanDerWaalsContact O-N 3.11Å; L578-E582 PolarHBondContact O-N 2.96Å; L578-E582 VanDerWaalsContact O-N 3.12Å
579	R	88.6	Confident	75.6	Confident	40 Å²	40	73.4 Å²	73.4	15%	0.151	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-43.2	175.2	-173.3	171.4	55.6	-123.5	4.5	111.5	D478 D479 V509 R575 N576 K581 E582 W583	D478-R579 VanDerWaalsContact O-CZ 3.24Å; D478-R579 PolarHBondContact O-NH1 2.92Å; D478-R579 VanDerWaalsContact O-NH1 3.08Å; D478-R579 PolarHBondContact O-NH2 3.25Å; D479-R579 IonicContact OD1-CZ 3.91Å; D479-R579 IonicContact OD1-NH1 2.71Å; D479-R579 PolarHBondContact OD1-NH1 3.3Å; D479-R579 IonicContact OD1-NH2 2.68Å; D479-R579 PolarHBondContact OD1-NH2 3.43Å; V509-R579 HydrophobicContact CB-CB 4.27Å; V509-R579 HydrophobicContact CG1-CB 4.48Å; R575-R579 WeakPolarHBondContact O-CB 3.34Å; R575-R579 PolarHBondContact O-N 3.46Å; N576-R579 PolarHBondContact OD1-NH2 3.49Å; R579-K581 VanDerWaalsContact C-N 3.27Å; R579-K581 PolarHBondContact O-N 3.21Å; R579-E582 PolarHBondContact O-N 3.34Å; R579-W583 VanDerWaalsContact O-CD1 3.23Å; R579-W583 PolarHBondContact O-N 3.15Å
580	K	85.3	Confident	76.4	Confident	96 Å²	96	74.3 Å²	74.3	42%	0.417	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-29.4	174	-79.8	172.1	175.8	172.7	0	113.1	N576 E577 L578 K584	N576-K580 VanDerWaalsContact ND2-CE 3.28Å; N576-K580 WeakPolarHBondContact ND2-CE 3.44Å; N576-K580 PolarHBondContact ND2-NZ 3.12Å; N576-K580 WeakPolarHBondContact O-CB 3.21Å; N576-K580 WeakPolarHBondContact O-CG 3.25Å; N576-K580 PolarHBondContact O-N 3.1Å; E577-K580 PolarHBondContact O-N 2.91Å; L578-K580 PolarHBondContact O-N 2.96Å; K580-K584 WeakPolarHBondContact O-CB 3.39Å; K580-K584 WeakPolarHBondContact O-CD 3.45Å; K580-K584 WeakPolarHBondContact O-CG 3.11Å; K580-K584 PolarHBondContact O-N 2.93Å
581	K	87.7	Confident	77.7	Confident	101 Å²	101	77 Å²	77	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-51.5	171.4	-174.6	-168.8	175	-172	0	110.2	E560 E577 L578 R579 W583 K584 T585	E560-K581 IonicContact OE1-NZ 2.65Å; E560-K581 PolarHBondContact OE1-NZ 3.3Å; E560-K581 IonicContact OE2-NZ 3.71Å; E577-K581 PolarHBondContact O-N 3.47Å; L578-K581 VanDerWaalsContact O-CB 3.3Å; L578-K581 WeakPolarHBondContact O-CB 3.37Å; L578-K581 PolarHBondContact O-N 3.42Å; L578-K581 VanDerWaalsContact O-N 3.11Å; R579-K581 VanDerWaalsContact C-N 3.27Å; R579-K581 PolarHBondContact O-N 3.21Å; K581-W583 PolarHBondContact O-N 3.46Å; K581-K584 PolarHBondContact O-N 2.82Å; K581-T585 PolarHBondContact O-OG1 2.73Å
582	E	89.8	Confident	78.7	Confident	18 Å²	18	79.3 Å²	79.3	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-57.1	-50.2	178.7	-66	-55.6	108.2	0	0	112.8	V509 S511 K521 F523 L578 R579 K584 T585	V509-E582 HydrophobicContact CG2-CG 4.32Å; S511-E582 VanDerWaalsContact CB-OE2 3.25Å; S511-E582 WeakPolarHBondContact CB-OE2 3.25Å; S511-E582 PolarHBondContact OG-OE2 2.98Å; K521-E582 HydrophobicContact CD-CG 4.1Å; K521-E582 WeakPolarHBondContact CD-OE2 3.42Å; K521-E582 IonicContact NZ-OE1 3.42Å; K521-E582 PolarHBondContact NZ-OE1 3.43Å; K521-E582 IonicContact NZ-OE2 2.66Å; K521-E582 PolarHBondContact NZ-OE2 3.02Å; F523-E582 HydrophobicContact CE2-CG 4.34Å; F523-E582 HydrophobicContact CZ-CG 4.23Å; F523-E582 WeakPolarHBondContact CZ-OE1 3.46Å; L578-E582 PolarHBondContact O-N 2.96Å; L578-E582 VanDerWaalsContact O-N 3.12Å; R579-E582 PolarHBondContact O-N 3.34Å; E582-K584 PolarHBondContact O-N 3.48Å; E582-T585 PolarHBondContact O-N 2.96Å
583	W	82.8	Confident	79.4	Confident	112 Å²	112	78.2 Å²	78.2	42%	0.424	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.1	-175.1	-72	84.9	0	0	0	114.3	S510 P512 E518 R579 K581	S510-W583 PolarHBondContact O-NE1 3.31Å; S510-W583 PolarHBondContact OG-NE1 3.34Å; P512-W583 HydrophobicContact CB-CD2 4.36Å; P512-W583 HydrophobicContact CB-CE3 4.21Å; P512-W583 HydrophobicContact CB-CH2 4.04Å; P512-W583 HydrophobicContact CB-CZ2 4.18Å; P512-W583 HydrophobicContact CB-CZ3 4.05Å; P512-W583 HydrophobicContact CG-CD2 4.43Å; E518-W583 HydrophobicContact CB-CH2 4.48Å; E518-W583 HydrophobicContact CB-CZ2 3.92Å; E518-W583 VanDerWaalsContact OE2-CZ2 3.3Å; E518-W583 WeakPolarHBondContact OE2-CZ2 3.3Å; R579-W583 VanDerWaalsContact O-CD1 3.23Å; R579-W583 PolarHBondContact O-N 3.15Å; K581-W583 PolarHBondContact O-N 3.46Å
584	K	74.6	Confident	79.2	Confident	167 Å²	167	81.5 Å²	81.5	73%	0.726	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-5.5	169.8	-82.3	179.8	174.5	-167.1	0	113.9	K580 K581 E582 I586	K580-K584 WeakPolarHBondContact O-CB 3.39Å; K580-K584 WeakPolarHBondContact O-CD 3.45Å; K580-K584 WeakPolarHBondContact O-CG 3.11Å; K580-K584 PolarHBondContact O-N 2.93Å; K581-K584 PolarHBondContact O-N 2.82Å; E582-K584 PolarHBondContact O-N 3.48Å; K584-I586 VanDerWaalsContact C-N 3.25Å; K584-I586 PolarHBondContact O-N 3.31Å
585	T	55.9	Low	79.1	Confident	115 Å²	115	82.4 Å²	82.4	71%	0.706	39%	0.385	S	S	*	.			trans	-98.9	34.2	-177.2	-44	0	0	0	0	110.5	K581 E582	K581-T585 PolarHBondContact O-OG1 2.73Å; E582-T585 PolarHBondContact O-N 2.96Å
586	I	43.7	Very low	78.5	Confident	177 Å²	177	87.5 Å²	87.5	91%	0.908	41%	0.411	S	S	*	.			trans	-125	0	170.9	-57.2	168	0	0	0	106.9	P512 K584	P512-I586 HydrophobicContact CB-CD1 3.57Å; P512-I586 HydrophobicContact CG-CD1 3.45Å; P512-I586 VanDerWaalsContact CG-CD1 3.45Å; P512-I586 HydrophobicContact CG-CG1 4.11Å; K584-I586 VanDerWaalsContact C-N 3.25Å; K584-I586 PolarHBondContact O-N 3.31Å

Retrieved 586 of 586 residues in 1151.7 ms (Link to these results)

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