A0A061IGE1_CRIGR Loading...

Copine-8

Probable calcium-dependent phospholipid-binding protein that may play a role in calcium-mediated intracellular processes.

AlphaFold DB , UniProt , Accession A0A061IGE1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100767916, Length 577 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	37.6	Very low	29.2	Very low	234 Å²	234	161.2 Å²	161.2	100%	1.153	87%	0.87	S	S	*	*				0	97.1	0	-163.1	179.8	-80.6	0	0	106.9
2	W	27.3	Very low	29	Very low	260 Å²	260	162.5 Å²	162.5	99%	0.985	88%	0.875	S	S	*	*			trans	155.8	126.8	156.3	-86.5	-30.2	0	0	0	110.8
3	A	26.8	Very low	28.7	Very low	95 Å²	95	164.8 Å²	164.8	79%	0.785	88%	0.877	S	S	*	*			trans	-81.1	159.4	-178.5	0	0	0	0	0	111.6
4	R	28.5	Very low	28.5	Very low	246 Å²	246	166.1 Å²	166.1	93%	0.928	88%	0.878	S	S	*	*			trans	-136.7	131.6	155.7	-96.2	-173.8	175.4	177.3	-1.2	110
5	D	29.1	Very low	28.3	Very low	159 Å²	159	161.1 Å²	161.1	85%	0.85	85%	0.853	S	S	*	*			trans	-60.2	143.7	-177.7	-60.4	-61.2	0	0	0	114.2
6	K	29.1	Very low	28.2	Very low	206 Å²	206	157.1 Å²	157.1	90%	0.896	84%	0.841	S	S	*	*			trans	-131.6	109.3	145.5	-84.2	-168.5	176.9	-177.6	0	108.8	S8	K6-S8 PolarHBondContact O-N 2.86Å
7	C	27	Very low	28	Very low	136 Å²	136	159.3 Å²	159.3	92%	0.919	84%	0.835	S	S	*	*			trans	-60	122.9	168.8	-155.3	0	0	0	0	108.9
8	S	29.5	Very low	28	Very low	110 Å²	110	161 Å²	161	77%	0.769	83%	0.83	S	S	*	*			trans	-121.4	119	165.7	48.2	0	0	0	0	107	K6	K6-S8 PolarHBondContact O-N 2.86Å
9	A	29.2	Very low	27.9	Very low	93 Å²	93	158.6 Å²	158.6	77%	0.769	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.9	139.4	173.8	0	0	0	0	0	109.1
10	P	29	Very low	27.8	Very low	114 Å²	114	156.2 Å²	156.2	74%	0.74	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-70	152.6	173.2	27.9	-30.6	0	0	0	110.6
11	P	28.5	Very low	27.9	Very low	120 Å²	120	153.6 Å²	153.6	78%	0.779	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-62.6	141	173.3	-11.2	26	0	0	0	109.7	E13	P11-E13 PolarHBondContact O-N 3.16Å
12	L	26.4	Very low	27.4	Very low	177 Å²	177	146.4 Å²	146.4	93%	0.927	80%	0.8	S	S	*	*			trans	-60.1	100.3	167.6	-81	150.1	0	0	0	108.8	M14	L12-M14 PolarHBondContact O-N 3.41Å; L12-M14 VanDerWaalsContact O-N 3.15Å
13	E	24.9	Very low	27.4	Very low	192 Å²	192	137.3 Å²	137.3	90%	0.897	79%	0.787	S	S	*	*			trans	-66.3	106.8	161.4	-81.6	-172.6	152.3	0	0	107.8	P11 D15	P11-E13 PolarHBondContact O-N 3.16Å; E13-D15 PolarHBondContact O-N 2.54Å
14	M	26.3	Very low	28	Very low	183 Å²	183	142 Å²	142	90%	0.901	80%	0.796	S	S	*	*			trans	-64	116.9	163.2	-100.9	-179.2	165.6	0	0	108.4	L12 S16	L12-M14 PolarHBondContact O-N 3.41Å; L12-M14 VanDerWaalsContact O-N 3.15Å; M14-S16 PolarHBondContact O-N 2.86Å; M14-S16 VanDerWaalsContact O-N 3.11Å
15	D	25.6	Very low	28.1	Very low	92 Å²	92	133.2 Å²	133.2	49%	0.492	78%	0.783	S	S	.	*			trans	-59.5	110	176.6	-165.2	-11.7	0	0	0	110.1	E13 R17	E13-D15 PolarHBondContact O-N 2.54Å; D15-R17 PolarHBondContact O-N 3.46Å; D15-R17 WeakPolarHBondContact OD1-CG 3.29Å; D15-R17 IonicContact OD1-CZ 2.77Å; D15-R17 IonicContact OD1-NE 3.39Å; D15-R17 PolarHBondContact OD1-NE 3.12Å; D15-R17 IonicContact OD1-NH2 3.5Å; D15-R17 PolarHBondContact OD1-NH2 2.65Å; D15-R17 IonicContact OD2-CZ 3.37Å; D15-R17 IonicContact OD2-NE 2.71Å; D15-R17 PolarHBondContact OD2-NE 3.12Å; D15-R17 IonicContact OD2-NH2 3.44Å; D15-R17 PolarHBondContact OD2-NH2 3.15Å
16	S	26.3	Very low	28	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-75.7	15.2	-172.4	51.4	0	0	0	0	114.4	M14 T19	M14-S16 PolarHBondContact O-N 2.86Å; M14-S16 VanDerWaalsContact O-N 3.11Å; S16-T19 PolarHBondContact O-OG1 3.1Å
17	R	25.5	Very low	28.3	Very low	195 Å²	195	129 Å²	129	74%	0.736	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-90	2.3	-173.7	-70.5	-177.5	-72.4	-176.9	-0.5	116	D15	D15-R17 PolarHBondContact O-N 3.46Å; D15-R17 WeakPolarHBondContact OD1-CG 3.29Å; D15-R17 IonicContact OD1-CZ 2.77Å; D15-R17 IonicContact OD1-NE 3.39Å; D15-R17 PolarHBondContact OD1-NE 3.12Å; D15-R17 IonicContact OD1-NH2 3.5Å; D15-R17 PolarHBondContact OD1-NH2 2.65Å; D15-R17 IonicContact OD2-CZ 3.37Å; D15-R17 IonicContact OD2-NE 2.71Å; D15-R17 PolarHBondContact OD2-NE 3.12Å; D15-R17 IonicContact OD2-NH2 3.44Å; D15-R17 PolarHBondContact OD2-NH2 3.15Å
18	Y	28	Very low	28.6	Very low	190 Å²	190	127.4 Å²	127.4	75%	0.745	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-124.4	11.4	178.2	-67.5	-74.6	0	0	0	115.1	S20	Y18-S20 PolarHBondContact O-N 3.08Å
19	T	26.1	Very low	28.5	Very low	116 Å²	116	132 Å²	132	71%	0.712	76%	0.761	S	S	*	*			trans	-92.2	82	173.5	47.5	0	0	0	0	110.6	S16 A21	S16-T19 PolarHBondContact O-OG1 3.1Å; T19-A21 VanDerWaalsContact C-N 3.31Å; T19-A21 PolarHBondContact O-N 3.37Å; T19-A21 VanDerWaalsContact O-N 3.1Å
20	S	26.1	Very low	28.9	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	76%	0.76	S	S	*	*			trans	-76.2	90.1	159.2	170.5	0	0	0	0	108.3	Y18 A22	Y18-S20 PolarHBondContact O-N 3.08Å; S20-A22 PolarHBondContact O-N 3.09Å
21	A	30	Very low	29.3	Very low	102 Å²	102	130.6 Å²	130.6	84%	0.843	74%	0.736	S	S	*	*			trans	-70.5	77.6	158.4	0	0	0	0	0	108.4	T19	T19-A21 VanDerWaalsContact C-N 3.31Å; T19-A21 PolarHBondContact O-N 3.37Å; T19-A21 VanDerWaalsContact O-N 3.1Å
22	A	26.4	Very low	29.4	Very low	84 Å²	84	130 Å²	130	69%	0.694	74%	0.742	S	S	*	*			trans	-89.5	114.8	163.1	0	0	0	0	0	106.9	S20	S20-A22 PolarHBondContact O-N 3.09Å
23	G	28	Very low	30.2	Very low	68 Å²	68	123 Å²	123	70%	0.701	71%	0.709	S	S	*	*			trans	-66.3	156.4	-161.7	0	0	0	0	0	116	G25	G23-G25 PolarHBondContact O-N 3.39Å
24	I	38.7	Very low	31.2	Very low	193 Å²	193	121.3 Å²	121.3	99%	0.99	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	36.5	169	-64.7	160.6	0	0	0	111.1
25	G	29.6	Very low	32.5	Very low	63 Å²	63	114.6 Å²	114.6	65%	0.649	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	-20.9	-163.2	0	0	0	0	0	118.2	G23	G23-G25 PolarHBondContact O-N 3.39Å
26	D	27.7	Very low	34.4	Very low	157 Å²	157	113.7 Å²	113.7	84%	0.84	68%	0.681	S	S	*	*	S	Bend	trans	-130.6	13.9	-165.9	-90.2	-34.5	0	0	0	115.9
27	L	34.8	Very low	36.9	Very low	120 Å²	120	109.8 Å²	109.8	63%	0.628	65%	0.653	S	S	*	*	S	Bend	trans	-118.8	79.5	173.7	-84.6	153.1	0	0	0	109.2
28	N	33.2	Very low	39.8	Very low	102 Å²	102	105.5 Å²	105.5	55%	0.545	64%	0.637	S	S	.	*			trans	158.3	82.3	148.7	-82.4	-19.9	0	0	0	111.5	L30 S31	N28-L30 PolarHBondContact O-N 3.02Å; N28-S31 WeakPolarHBondContact ND2-CB 3.45Å
29	Q	29	Very low	42.7	Very low	207 Å²	207	96.5 Å²	96.5	97%	0.967	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	8.7	162.4	-76	-173.2	10.3	0	0	113.1
30	L	36.8	Very low	45.7	Very low	141 Å²	141	93.4 Å²	93.4	74%	0.738	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	-2.1	174.8	-79.9	162.9	0	0	0	113.8	N28	N28-L30 PolarHBondContact O-N 3.02Å
31	S	38.4	Very low	48.8	Very low	35 Å²	35	88.2 Å²	88.2	25%	0.245	54%	0.542	C	S	.	.			trans	-117.1	93.9	-179.3	-170.1	0	0	0	0	111.2	N28 A33	N28-S31 WeakPolarHBondContact ND2-CB 3.45Å; S31-A33 PolarHBondContact OG-N 3.42Å; S31-A33 PolarHBondContact OG-O 2.93Å
32	A	29.7	Very low	51.7	Low	108 Å²	108	84.1 Å²	84.1	89%	0.893	51%	0.508	S	S	*	.			trans	-87.4	7.8	151.3	0	0	0	0	0	111.2
33	A	42.4	Very low	54.8	Low	30 Å²	30	80.3 Å²	80.3	25%	0.248	48%	0.475	C	S	.	.	S	Bend	trans	-86.1	122.1	178.2	0	0	0	0	0	109.1	S31 F99	S31-A33 PolarHBondContact OG-N 3.42Å; S31-A33 PolarHBondContact OG-O 2.93Å; A33-F99 HydrophobicContact CB-CE1 4.21Å
34	I	46.2	Very low	57.6	Low	156 Å²	156	77.8 Å²	77.8	80%	0.8	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-71	127.8	174	-60.5	171.7	0	0	0	107
35	P	53.8	Low	60.1	Low	42 Å²	42	68.6 Å²	68.6	27%	0.273	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-55.6	140.6	178	21	-31.2	0	0	0	111.9	T37 D97 F99	P35-T37 PolarHBondContact O-N 2.79Å; P35-D97 HydrophobicContact CB-CB 3.95Å; P35-D97 HydrophobicContact CG-CB 4.31Å; P35-F99 VanDerWaalsContact CA-CZ 3.5Å; P35-F99 HydrophobicContact CB-CE1 3.92Å; P35-F99 HydrophobicContact CB-CE2 3.96Å; P35-F99 HydrophobicContact CB-CZ 3.56Å; P35-F99 HydrophobicContact CG-CZ 4.32Å
36	A	65.8	Low	63.2	Low	74 Å²	74	68.5 Å²	68.5	61%	0.612	38%	0.38	S	S	*	.	S	Bend	trans	-58	-41.4	176.4	0	0	0	0	0	110.1	Y98	A36-Y98 PolarHBondContact N-O 3.07Å
37	T	78.3	Confident	66.2	Low	14 Å²	14	66.5 Å²	66.5	9%	0.086	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	177.9	169.8	-165.3	0	0	0	0	111.3	P35 V39 Y98 E165 L312	P35-T37 PolarHBondContact O-N 2.79Å; T37-V39 HydrophobicContact CG2-CG2 4.33Å; T37-Y98 HydrophobicContact CG2-CD1 3.86Å; T37-Y98 PolarHBondContact N-O 3.18Å; T37-Y98 PolarHBondContact O-N 2.99Å; T37-E165 VanDerWaalsContact CB-OE1 3.32Å; T37-E165 WeakPolarHBondContact CB-OE1 3.17Å; T37-E165 HydrophobicContact CG2-CG 3.66Å; T37-E165 WeakPolarHBondContact OG1-CG 3.05Å; T37-E165 PolarHBondContact OG1-OE1 3.03Å; T37-L312 HydrophobicContact CG2-CD1 3.89Å
38	R	86	Confident	68.9	Low	105 Å²	105	61 Å²	61	40%	0.396	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.9	168.6	-76.1	-172.2	-67.2	-179.4	0.1	109.9	L96 D97 E165 L166	R38-L96 CarbonylContact C-O 3.51Å; R38-L96 WeakPolarHBondContact CA-O 3.36Å; R38-D97 WeakPolarHBondContact CD-OD1 3.39Å; R38-D97 WeakPolarHBondContact CG-OD1 3.47Å; R38-E165 CarbonylContact O-C 3.52Å; R38-L166 HydrophobicContact CB-CB 4.05Å; R38-L166 HydrophobicContact CB-CD1 4.38Å; R38-L166 PolarHBondContact O-N 3.34Å
39	V	88.8	Confident	71.4	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.5	-179.2	177.4	0	0	0	0	109.7	T37 V41 I95 L96 Y98 L133 V137 A163 E164 L312	T37-V39 HydrophobicContact CG2-CG2 4.33Å; V39-V41 HydrophobicContact CG1-CG2 4.23Å; V39-I95 WeakPolarHBondContact O-CA 3.47Å; V39-L96 PolarHBondContact N-O 2.69Å; V39-L96 PolarHBondContact O-N 2.57Å; V39-Y98 HydrophobicContact CG2-CG 4.27Å; V39-L133 HydrophobicContact CG1-CD1 4.45Å; V39-V137 HydrophobicContact CG1-CG1 4.33Å; V39-V137 HydrophobicContact CG2-CG1 4.38Å; V39-A163 HydrophobicContact CG1-CB 3.5Å; V39-E164 CarbonylContact C-O 3.58Å; V39-E164 WeakPolarHBondContact CA-O 3.36Å; V39-L312 HydrophobicContact CG2-CD1 4.28Å
40	E	90.4	Very high	74	Confident	51 Å²	51	51.2 Å²	51.2	24%	0.238	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.4	168	-172.8	172.8	87.5	0	0	109.6	K93 F94 A163 E164 L166	E40-K93 HydrophobicContact CG-CB 3.33Å; E40-K93 HydrophobicContact CG-CG 3.78Å; E40-F94 CarbonylContact C-O 3.56Å; E40-F94 WeakPolarHBondContact CA-O 3.42Å; E40-A163 CarbonylContact O-C 3.46Å; E40-A163 WeakPolarHBondContact O-CA 3.26Å; E40-E164 PolarHBondContact N-O 3.22Å; E40-E164 PolarHBondContact O-N 2.9Å; E40-L166 HydrophobicContact CB-CD1 3.88Å; E40-L166 HydrophobicContact CB-CD2 3.85Å; E40-L166 HydrophobicContact CB-CG 3.73Å
41	V	91.4	Very high	75.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.7	175.7	-179.3	0	0	0	0	109.7	V39 K93 F94 L96 F108 L133 I136 T162	V39-V41 HydrophobicContact CG1-CG2 4.23Å; V41-K93 WeakPolarHBondContact O-CA 3.35Å; V41-F94 HydrophobicContact CB-CB 4.41Å; V41-F94 PolarHBondContact N-O 3.39Å; V41-F94 PolarHBondContact O-N 2.83Å; V41-L96 HydrophobicContact CG2-CD1 3.96Å; V41-F108 HydrophobicContact CG1-CZ 4.32Å; V41-L133 HydrophobicContact CG2-CD1 3.92Å; V41-I136 HydrophobicContact CG1-CD1 4.3Å; V41-T162 CarbonylContact C-O 3.53Å; V41-T162 WeakPolarHBondContact CA-O 3.42Å
42	S	89.3	Confident	77.1	Confident	16 Å²	16	49.9 Å²	49.9	11%	0.112	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	146	168.2	-61.6	0	0	0	0	111	K93 L161 T162	S42-K93 VanDerWaalsContact CB-NZ 3.31Å; S42-K93 WeakPolarHBondContact OG-CD 3.24Å; S42-K93 WeakPolarHBondContact OG-CE 3.4Å; S42-K93 PolarHBondContact OG-NZ 3.21Å; S42-L161 WeakPolarHBondContact O-CA 3.35Å; S42-T162 VanDerWaalsContact CB-OG1 3.28Å; S42-T162 WeakPolarHBondContact CB-OG1 3.4Å; S42-T162 PolarHBondContact N-O 2.85Å; S42-T162 PolarHBondContact O-N 3.06Å
43	V	92.2	Very high	78.6	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.1	175.7	-173.8	0	0	0	0	109.6	C61 F90 F94 F108 I159 L161	V43-C61 HydrophobicContact CG1-CB 4.35Å; V43-F90 HydrophobicContact CB-CD2 4.07Å; V43-F90 HydrophobicContact CG1-CD2 4.03Å; V43-F90 HydrophobicContact CG1-CE2 4.32Å; V43-F90 WeakPolarHBondContact O-CB 3.44Å; V43-F90 WeakPolarHBondContact O-CD2 3.35Å; V43-F90 PolarHBondContact O-N 3.01Å; V43-F90 VanDerWaalsContact O-N 3.13Å; V43-F94 HydrophobicContact CG2-CD2 4.1Å; V43-F94 HydrophobicContact CG2-CE2 3.84Å; V43-F108 HydrophobicContact CG2-CD1 4.1Å; V43-F108 HydrophobicContact CG2-CE1 3.8Å; V43-I159 HydrophobicContact CG1-CD1 3.79Å; V43-I159 HydrophobicContact CG1-CG1 3.91Å; V43-L161 HydrophobicContact CB-CD2 4.28Å; V43-L161 HydrophobicContact CG1-CD2 4.07Å; V43-L161 HydrophobicContact CG2-CD2 3.76Å
44	S	87.8	Confident	79.3	Confident	15 Å²	15	58.9 Å²	58.9	11%	0.105	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	158.4	161.6	62	0	0	0	0	110.5	P88 D89 I160	S44-P88 CarbonylContact C-O 3.52Å; S44-P88 VanDerWaalsContact CA-O 3.29Å; S44-P88 WeakPolarHBondContact CA-O 3.33Å; S44-P88 VanDerWaalsContact CB-O 3.28Å; S44-P88 WeakPolarHBondContact CB-O 2.65Å; S44-D89 WeakPolarHBondContact CB-OD1 3.22Å; S44-I160 PolarHBondContact N-O 3.3Å; S44-I160 PolarHBondContact O-N 2.87Å; S44-I160 WeakPolarHBondContact OG-CB 3.43Å
45	C	91.6	Very high	80.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.2	178.1	-56.4	0	0	0	0	110.6	L48 N87 P88 T158	C45-L48 HydrophobicContact CB-CD1 3.93Å; C45-L48 HydrophobicContact CB-CD2 3.61Å; C45-L48 HydrophobicContact CB-CG 3.75Å; C45-N87 CarbonylContact O-C 3.48Å; C45-N87 WeakPolarHBondContact O-CA 3.43Å; C45-P88 HydrophobicContact CB-CG 3.76Å; C45-P88 PolarHBondContact N-O 3.05Å; C45-T158 CarbonylContact C-O 3.45Å; C45-T158 VanDerWaalsContact CA-O 3.26Å; C45-T158 WeakPolarHBondContact CA-O 3.33Å
46	R	93.1	Very high	81.9	Confident	62 Å²	62	57 Å²	57	23%	0.234	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.9	175.5	-60.5	-63.9	178.6	-96.9	4.6	110.7	L48 L86 N87 P88 D89 G157 T158 I160	R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 PolarHBondContact O-N 3.17Å; R46-L86 CarbonylContact C-O 3.58Å; R46-N87 VanDerWaalsContact CA-OD1 3.26Å; R46-N87 WeakPolarHBondContact CA-OD1 3.48Å; R46-N87 WeakPolarHBondContact CD-OD1 3.42Å; R46-P88 PolarHBondContact NH1-O 2.86Å; R46-D89 IonicContact CZ-OD1 3.25Å; R46-D89 VanDerWaalsContact CZ-OD1 3.3Å; R46-D89 IonicContact CZ-OD2 2.78Å; R46-D89 IonicContact NH1-OD1 2.85Å; R46-D89 PolarHBondContact NH1-OD1 3.04Å; R46-D89 IonicContact NH1-OD2 2.79Å; R46-D89 IonicContact NH2-OD1 3.68Å; R46-D89 PolarHBondContact NH2-OD1 3.34Å; R46-D89 IonicContact NH2-OD2 3.37Å; R46-D89 PolarHBondContact NH2-OD2 3.36Å; R46-G157 CarbonylContact O-C 3.58Å; R46-G157 VanDerWaalsContact O-CA 3.27Å; R46-G157 WeakPolarHBondContact O-CA 3.36Å; R46-T158 PolarHBondContact N-O 2.91Å; R46-T158 PolarHBondContact O-N 2.88Å; R46-I160 HydrophobicContact CG-CD1 3.77Å
47	N	91.2	Very high	82.8	Confident	115 Å²	115	53.5 Å²	53.5	62%	0.615	26%	0.262	S	S	*	.	S	Bend	trans	52.8	45.6	177.1	-51.5	-54.1	0	0	0	113.4	L86 N87 G157	N47-L86 PolarHBondContact N-O 3.11Å; N47-N87 PolarHBondContact N-OD1 3.03Å; N47-G157 WeakPolarHBondContact O-CA 3.47Å; N47-G157 PolarHBondContact O-N 2.62Å
48	L	91.2	Very high	83.3	Confident	5 Å²	5	55 Å²	55	3%	0.026	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-55.1	153.5	174.4	-69	-179.3	0	0	0	111.5	C45 R46 D50 P59 L86 P88 L126 I148	C45-L48 HydrophobicContact CB-CD1 3.93Å; C45-L48 HydrophobicContact CB-CD2 3.61Å; C45-L48 HydrophobicContact CB-CG 3.75Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 PolarHBondContact O-N 3.17Å; L48-D50 PolarHBondContact O-N 3.48Å; L48-P59 HydrophobicContact CD1-CB 3.62Å; L48-P59 HydrophobicContact CD1-CG 4.04Å; L48-L86 HydrophobicContact CB-CB 4.35Å; L48-L86 HydrophobicContact CB-CD2 4.38Å; L48-L86 PolarHBondContact N-O 2.9Å; L48-P88 HydrophobicContact CD1-CG 3.74Å; L48-L126 HydrophobicContact CD1-CD1 4.31Å; L48-I148 HydrophobicContact CD2-CD1 3.4Å; L48-I148 VanDerWaalsContact CD2-CD1 3.4Å
49	L	86.4	Confident	83.6	Confident	25 Å²	25	50 Å²	50	13%	0.131	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-62.7	122.9	175.2	179.2	64.5	0	0	0	109.7	R51 S57 L126 I151	L49-R51 HydrophobicContact CG-CG 4.49Å; L49-R51 PolarHBondContact O-N 3.24Å; L49-S57 PolarHBondContact O-OG 3.19Å; L49-L126 HydrophobicContact CB-CD2 4.42Å; L49-L126 WeakPolarHBondContact O-CD2 3.45Å; L49-I151 HydrophobicContact CD2-CD1 3.7Å
50	D	82.8	Confident	83.9	Confident	77 Å²	77	50.7 Å²	50.7	41%	0.412	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-78.7	116.5	174.3	-157.1	-4	0	0	0	109.7	L48 L86	L48-D50 PolarHBondContact O-N 3.48Å; D50-L86 HydrophobicContact CB-CD1 4.07Å; D50-L86 HydrophobicContact CB-CD2 4.11Å
51	R	73.3	Confident	84.2	Confident	105 Å²	105	48.3 Å²	48.3	40%	0.396	24%	0.243	S	C	.	.			trans	-101.8	-18.7	179	-75.4	-69.6	-172.7	161.3	5.5	113.1	L49 S57 D124 L126	L49-R51 HydrophobicContact CG-CG 4.49Å; L49-R51 PolarHBondContact O-N 3.24Å; R51-S57 PolarHBondContact N-OG 2.78Å; R51-D124 HydrophobicContact CG-CB 4.34Å; R51-L126 HydrophobicContact CB-CD2 4.48Å; R51-L126 HydrophobicContact CG-CD2 3.62Å
52	D	67.5	Low	84.6	Confident	44 Å²	44	48.3 Å²	48.3	24%	0.235	24%	0.243	C	C	.	.			trans	-84.2	143.8	-176.1	-85.8	-18.9	0	0	0	112.6	S55	D52-S55 WeakPolarHBondContact CB-O 3.15Å; D52-S55 WeakPolarHBondContact CB-OG 3.32Å; D52-S55 VanDerWaalsContact CG-OG 3.26Å; D52-S55 PolarHBondContact OD2-OG 3.03Å
53	T	60.9	Low	85	Confident	122 Å²	122	47.5 Å²	47.5	75%	0.748	24%	0.238	S	C	*	.	S	Bend	trans	-87	-22.8	-178.2	-44.4	0	0	0	0	112.3
54	F	58.4	Low	85.3	Confident	205 Å²	205	48.7 Å²	48.7	90%	0.899	24%	0.242	S	C	*	.	S	Bend	trans	-134.4	-1.3	-172.8	-59.8	-73.9	0	0	0	114.2
55	S	74.4	Confident	85.6	Confident	59 Å²	59	50.1 Å²	50.1	41%	0.413	25%	0.248	S	C	.	.	S	Bend	trans	-140.3	178.3	177.5	38.9	0	0	0	0	109.1	D52	D52-S55 WeakPolarHBondContact CB-O 3.15Å; D52-S55 WeakPolarHBondContact CB-OG 3.32Å; D52-S55 VanDerWaalsContact CG-OG 3.26Å; D52-S55 PolarHBondContact OD2-OG 3.03Å
56	K	79.1	Confident	85.6	Confident	100 Å²	100	52.2 Å²	52.2	44%	0.435	26%	0.258	S	S	.	.			trans	-95.2	159.5	161.8	-55.9	169.5	179.5	172.9	0	108.4	N84 L86	K56-N84 WeakPolarHBondContact CB-OD1 3.37Å; K56-N84 WeakPolarHBondContact CG-OD1 3.17Å; K56-N84 PolarHBondContact N-OD1 2.84Å; K56-L86 HydrophobicContact CB-CD2 4.16Å; K56-L86 HydrophobicContact CB-CG 4.24Å; K56-L86 HydrophobicContact CD-CG 4.35Å; K56-L86 HydrophobicContact CG-CG 4.38Å
57	S	84.8	Confident	85	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.			trans	-51.9	151.3	174.4	-62.1	0	0	0	0	115.1	L49 R51 P59 N84 T85 D112	L49-S57 PolarHBondContact O-OG 3.19Å; R51-S57 PolarHBondContact N-OG 2.78Å; S57-P59 WeakPolarHBondContact O-CD 3.48Å; S57-N84 WeakPolarHBondContact O-CA 3.46Å; S57-N84 PolarHBondContact O-N 3.1Å; S57-T85 PolarHBondContact O-N 3.31Å; S57-D112 VanDerWaalsContact CA-OD1 3.3Å; S57-D112 WeakPolarHBondContact CA-OD1 3.42Å; S57-D112 VanDerWaalsContact CA-OD2 3.28Å; S57-D112 WeakPolarHBondContact CA-OD2 3.22Å; S57-D112 WeakPolarHBondContact CB-OD1 3.4Å; S57-D112 WeakPolarHBondContact CB-OD2 3.2Å; S57-D112 PolarHBondContact OG-OD2 2.78Å
58	D	88.8	Confident	84.1	Confident	45 Å²	45	49.3 Å²	49.3	24%	0.241	26%	0.256	C	S	.	.			trans	-105.4	74.5	173.2	-65.7	-23.3	0	0	0	109.7	V81 I82 D83 N84 D112 V113	D58-V81 HydrophobicContact CB-CG1 3.98Å; D58-I82 WeakPolarHBondContact CA-O 3.41Å; D58-D83 VanDerWaalsContact OD1-CA 3.28Å; D58-D83 WeakPolarHBondContact OD1-CA 3.09Å; D58-N84 PolarHBondContact OD1-N 3.02Å; D58-D112 PolarHBondContact N-OD1 3Å; D58-V113 HydrophobicContact CB-CB 4.4Å; D58-V113 PolarHBondContact O-N 2.88Å
59	P	92.4	Very high	83	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.2	-169	25.9	-39.2	0	0	0	114.7	L48 S57 V81 I82 T85 P88 F90 Y111 L126	L48-P59 HydrophobicContact CD1-CB 3.62Å; L48-P59 HydrophobicContact CD1-CG 4.04Å; S57-P59 WeakPolarHBondContact O-CD 3.48Å; P59-V81 WeakPolarHBondContact O-CA 3.33Å; P59-I82 WeakPolarHBondContact CD-O 3.33Å; P59-I82 PolarHBondContact O-N 3.21Å; P59-I82 VanDerWaalsContact O-N 3.15Å; P59-T85 VanDerWaalsContact CD-O 3.3Å; P59-T85 WeakPolarHBondContact CD-O 3.46Å; P59-T85 HydrophobicContact CG-CG2 3.88Å; P59-T85 WeakPolarHBondContact CG-O 3.34Å; P59-P88 HydrophobicContact CB-CB 4.48Å; P59-P88 HydrophobicContact CB-CG 4.04Å; P59-P88 HydrophobicContact CG-CB 3.75Å; P59-P88 HydrophobicContact CG-CG 3.65Å; P59-F90 HydrophobicContact CB-CZ 4.25Å; P59-F90 WeakPolarHBondContact O-CE1 3.38Å; P59-Y111 CarbonylContact C-O 3.56Å; P59-Y111 VanDerWaalsContact CA-O 3.28Å; P59-Y111 WeakPolarHBondContact CA-O 3.4Å; P59-L126 HydrophobicContact CB-CD1 4.44Å
60	I	95.8	Very high	82.5	Confident	16 Å²	16	51.8 Å²	51.8	8%	0.082	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.1	163	-170.5	174.7	0	0	0	110	R78 V81 L110 Y111 V113	I60-R78 HydrophobicContact CD1-CB 4.01Å; I60-R78 HydrophobicContact CG1-CB 4.49Å; I60-V81 HydrophobicContact CB-CG2 4.26Å; I60-V81 HydrophobicContact CD1-CG2 4.16Å; I60-V81 HydrophobicContact CG1-CG2 4.48Å; I60-L110 WeakPolarHBondContact O-CA 3.36Å; I60-Y111 PolarHBondContact N-O 3.34Å; I60-Y111 PolarHBondContact O-N 2.88Å; I60-V113 HydrophobicContact CB-CG2 3.94Å; I60-V113 HydrophobicContact CG2-CG2 3.49Å; I60-V113 VanDerWaalsContact CG2-CG2 3.49Å
61	C	96.7	Very high	82.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.6	172	-176.4	0	0	0	0	111.4	V43 R78 T79 F90 D109 L110	V43-C61 HydrophobicContact CG1-CB 4.35Å; C61-R78 CarbonylContact O-C 3.59Å; C61-R78 VanDerWaalsContact O-CA 3.31Å; C61-R78 WeakPolarHBondContact O-CA 3.49Å; C61-T79 HydrophobicContact CB-CG2 3.85Å; C61-T79 PolarHBondContact N-OG1 3.01Å; C61-T79 PolarHBondContact O-N 2.81Å; C61-T79 PolarHBondContact O-OG1 3.48Å; C61-F90 HydrophobicContact CB-CD2 4.42Å; C61-F90 HydrophobicContact CB-CE2 3.96Å; C61-F90 HydrophobicContact CB-CZ 4.2Å; C61-D109 WeakPolarHBondContact CA-O 3.47Å; C61-L110 HydrophobicContact CB-CD1 3.61Å
62	V	98.3	Very high	83.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.4	176.3	-173.4	0	0	0	0	108.9	Y64 E75 R78 F108 D109 Y111 L120	V62-Y64 HydrophobicContact CB-CE2 3.88Å; V62-Y64 HydrophobicContact CG1-CD2 4Å; V62-Y64 HydrophobicContact CG1-CE2 3.32Å; V62-E75 HydrophobicContact CG1-CG 3.72Å; V62-R78 HydrophobicContact CB-CG 4.46Å; V62-R78 HydrophobicContact CG1-CG 4.11Å; V62-R78 HydrophobicContact CG2-CG 4.01Å; V62-F108 WeakPolarHBondContact O-CA 3.2Å; V62-D109 HydrophobicContact CB-CB 4.49Å; V62-D109 PolarHBondContact N-O 2.74Å; V62-D109 PolarHBondContact O-N 3.48Å; V62-Y111 HydrophobicContact CG2-CD2 4.07Å; V62-Y111 HydrophobicContact CG2-CE2 4.14Å; V62-L120 HydrophobicContact CG1-CD1 4.39Å; V62-L120 HydrophobicContact CG2-CD1 4.09Å; V62-L120 HydrophobicContact CG2-CD2 3.95Å
63	L	98.3	Very high	84.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.9	174.2	175.7	58.9	0	0	0	109.8	F76 G77 F94 L96 L106 F108	L63-F76 HydrophobicContact CB-CB 4.4Å; L63-F76 HydrophobicContact CD2-CB 4.27Å; L63-F76 HydrophobicContact CD2-CD1 3.82Å; L63-F76 HydrophobicContact CD2-CG 4.24Å; L63-F76 HydrophobicContact CG-CB 4.03Å; L63-F76 HydrophobicContact CG-CD1 4.46Å; L63-F76 WeakPolarHBondContact O-CB 3.35Å; L63-F76 PolarHBondContact O-N 3.13Å; L63-G77 PolarHBondContact N-O 2.76Å; L63-G77 PolarHBondContact O-N 3.33Å; L63-F94 HydrophobicContact CB-CD1 4.13Å; L63-F94 HydrophobicContact CB-CD2 4.19Å; L63-F94 HydrophobicContact CB-CE1 3.87Å; L63-F94 HydrophobicContact CB-CE2 3.92Å; L63-F94 HydrophobicContact CB-CG 4.28Å; L63-F94 HydrophobicContact CB-CZ 3.75Å; L63-F94 HydrophobicContact CD2-CB 3.74Å; L63-F94 HydrophobicContact CD2-CD1 3.92Å; L63-F94 HydrophobicContact CD2-CD2 3.87Å; L63-F94 HydrophobicContact CD2-CE2 4.45Å; L63-F94 HydrophobicContact CD2-CG 3.56Å; L63-L96 HydrophobicContact CD2-CD1 4.34Å; L63-L96 HydrophobicContact CD2-CD2 4.32Å; L63-L106 HydrophobicContact CD1-CB 4.1Å; L63-L106 HydrophobicContact CD1-CD2 4.29Å; L63-F108 HydrophobicContact CB-CE1 4.49Å; L63-F108 HydrophobicContact CD1-CD1 4.03Å; L63-F108 HydrophobicContact CD1-CD2 4.34Å; L63-F108 HydrophobicContact CD1-CE1 3.71Å; L63-F108 HydrophobicContact CD1-CE2 4.01Å; L63-F108 HydrophobicContact CD1-CG 4.34Å; L63-F108 HydrophobicContact CD1-CZ 3.7Å; L63-F108 HydrophobicContact CG-CE1 4.46Å
64	Y	97.7	Very high	86	Confident	28 Å²	28	59 Å²	59	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.7	167.7	-61.9	-100.4	0	0	0	110.5	V62 W73 R74 E75 R107 D109 L120	V62-Y64 HydrophobicContact CB-CE2 3.88Å; V62-Y64 HydrophobicContact CG1-CD2 4Å; V62-Y64 HydrophobicContact CG1-CE2 3.32Å; Y64-W73 HydrophobicContact CD1-CB 4.29Å; Y64-R74 CarbonylContact C-O 3.53Å; Y64-R74 WeakPolarHBondContact CA-O 3.41Å; Y64-E75 HydrophobicContact CD1-CB 4.05Å; Y64-E75 HydrophobicContact CE1-CB 3.81Å; Y64-E75 HydrophobicContact CE1-CG 4.34Å; Y64-R107 PolarHBondContact N-O 3.42Å; Y64-R107 PolarHBondContact O-N 2.98Å; Y64-D109 HydrophobicContact CE2-CB 4.04Å; Y64-D109 WeakPolarHBondContact CE2-OD2 3.41Å; Y64-L120 VanDerWaalsContact OH-CD1 3.29Å; Y64-L120 WeakPolarHBondContact OH-CD1 3.43Å
65	I	95.4	Very high	87.8	Confident	45 Å²	45	53.4 Å²	53.4	23%	0.231	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	151.4	173.2	58.6	164.8	0	0	0	110.1	R74 F76 L96 L106	I65-R74 PolarHBondContact N-O 2.82Å; I65-R74 PolarHBondContact O-N 3.36Å; I65-F76 HydrophobicContact CD1-CD2 3.83Å; I65-F76 HydrophobicContact CG1-CB 4.31Å; I65-F76 HydrophobicContact CG1-CD2 4.26Å; I65-F76 HydrophobicContact CG2-CB 4.04Å; I65-F76 HydrophobicContact CG2-CD2 4.11Å; I65-F76 HydrophobicContact CG2-CG 4.24Å; I65-L96 HydrophobicContact CG2-CD2 4.5Å; I65-L106 HydrophobicContact CG2-CD2 3.88Å
66	Q	91.3	Very high	88.8	Confident	44 Å²	44	54.7 Å²	54.7	21%	0.206	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.6	174.9	-177.3	-178.4	61.9	0	0	109.7	N70 K71 W73 N105	Q66-N70 WeakPolarHBondContact CG-O 3.39Å; Q66-N70 PolarHBondContact NE2-O 3.23Å; Q66-K71 PolarHBondContact NE2-O 2.68Å; Q66-W73 HydrophobicContact CB-CD2 4.02Å; Q66-W73 HydrophobicContact CB-CE3 3.75Å; Q66-W73 HydrophobicContact CB-CH2 4.04Å; Q66-W73 HydrophobicContact CB-CZ2 4.28Å; Q66-W73 HydrophobicContact CB-CZ3 3.75Å; Q66-N105 HydrophobicContact CB-CB 4.13Å; Q66-N105 PolarHBondContact N-O 2.88Å; Q66-N105 PolarHBondContact OE1-ND2 2.89Å; Q66-N105 VanDerWaalsContact OE1-ND2 3.15Å
67	A	79.3	Confident	89.6	Confident	54 Å²	54	50.5 Å²	50.5	45%	0.446	25%	0.253	S	S	.	.			trans	-68.5	146.2	176.4	0	0	0	0	0	111	G69 N70	A67-G69 PolarHBondContact O-N 2.92Å; A67-N70 HydrophobicContact CB-CB 4.23Å; A67-N70 WeakPolarHBondContact O-CB 3.5Å; A67-N70 PolarHBondContact O-N 3.18Å
68	V	73.3	Confident	90.2	Very high	61 Å²	61	53.1 Å²	53.1	37%	0.37	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	129.9	178.5	178.7	0	0	0	0	111	N70 L531 A534	V68-N70 PolarHBondContact O-N 3.16Å; V68-L531 HydrophobicContact CG1-CD2 4.33Å; V68-A534 HydrophobicContact CG1-CB 3.31Å
69	G	68.9	Low	90.4	Very high	33 Å²	33	51.2 Å²	51.2	34%	0.34	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-4.4	-179.2	0	0	0	0	0	114.9	A67	A67-G69 PolarHBondContact O-N 2.92Å
70	N	75.9	Confident	90.3	Very high	49 Å²	49	54 Å²	54	26%	0.262	27%	0.266	S	S	.	.			trans	-97.9	138.7	172	-166.4	-3.6	0	0	0	110.4	Q66 A67 V68 E72	Q66-N70 WeakPolarHBondContact CG-O 3.39Å; Q66-N70 PolarHBondContact NE2-O 3.23Å; A67-N70 HydrophobicContact CB-CB 4.23Å; A67-N70 WeakPolarHBondContact O-CB 3.5Å; A67-N70 PolarHBondContact O-N 3.18Å; V68-N70 PolarHBondContact O-N 3.16Å; N70-E72 PolarHBondContact OD1-N 3.23Å
71	K	78.4	Confident	90.1	Very high	182 Å²	182	56 Å²	56	79%	0.791	28%	0.278	S	S	*	.			trans	-85.4	-18.4	173.9	-65.7	-174.5	178.9	-178.9	0	112.4	Q66	Q66-K71 PolarHBondContact NE2-O 2.68Å
72	E	89.6	Confident	89.4	Confident	131 Å²	131	58 Å²	58	61%	0.612	29%	0.289	S	S	*	.			trans	-81.1	134.5	-176.1	-62.8	-177	162.6	0	0	112.5	N70	N70-E72 PolarHBondContact OD1-N 3.23Å
73	W	94.1	Very high	88.7	Confident	66 Å²	66	64 Å²	64	25%	0.25	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.5	170.5	-70.1	92.4	0	0	0	109.7	Y64 Q66 N105 R107 F130	Y64-W73 HydrophobicContact CD1-CB 4.29Å; Q66-W73 HydrophobicContact CB-CD2 4.02Å; Q66-W73 HydrophobicContact CB-CE3 3.75Å; Q66-W73 HydrophobicContact CB-CH2 4.04Å; Q66-W73 HydrophobicContact CB-CZ2 4.28Å; Q66-W73 HydrophobicContact CB-CZ3 3.75Å; W73-N105 HydrophobicContact CH2-CB 3.97Å; W73-N105 HydrophobicContact CZ3-CB 4.42Å; W73-R107 HydrophobicContact CD2-CB 4.17Å; W73-R107 HydrophobicContact CE3-CB 3.71Å; W73-R107 HydrophobicContact CH2-CB 3.74Å; W73-R107 HydrophobicContact CZ2-CB 4.2Å; W73-R107 HydrophobicContact CZ3-CB 3.48Å; W73-R107 VanDerWaalsContact CZ3-CB 3.48Å; W73-F130 HydrophobicContact CH2-CD1 4.1Å; W73-F130 HydrophobicContact CH2-CE1 4.43Å; W73-F130 AromaticContact CZ2-CD1 3.8Å; W73-F130 HydrophobicContact CZ2-CD1 3.8Å; W73-F130 AromaticContact CZ2-CE1 3.78Å; W73-F130 HydrophobicContact CZ2-CE1 3.78Å
74	R	94.6	Very high	88	Confident	121 Å²	121	68.4 Å²	68.4	46%	0.457	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.4	176.9	-65.3	-177.1	-179.3	178.4	-0.3	109.6	Y64 I65 F76	Y64-R74 CarbonylContact C-O 3.53Å; Y64-R74 WeakPolarHBondContact CA-O 3.41Å; I65-R74 PolarHBondContact N-O 2.82Å; I65-R74 PolarHBondContact O-N 3.36Å; R74-F76 PolarHBondContact O-N 2.82Å
75	E	96.2	Very high	87.3	Confident	87 Å²	87	68.4 Å²	68.4	41%	0.407	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	121.5	174.4	-170.5	-177.2	135.8	0	0	108.8	V62 Y64 R78	V62-E75 HydrophobicContact CG1-CG 3.72Å; Y64-E75 HydrophobicContact CD1-CB 4.05Å; Y64-E75 HydrophobicContact CE1-CB 3.81Å; Y64-E75 HydrophobicContact CE1-CG 4.34Å; E75-R78 VanDerWaalsContact CD-NE 3.34Å; E75-R78 WeakPolarHBondContact OE1-CG 3.13Å; E75-R78 IonicContact OE1-CZ 3.27Å; E75-R78 IonicContact OE1-NE 2.96Å; E75-R78 PolarHBondContact OE1-NE 3.03Å; E75-R78 IonicContact OE1-NH2 3.7Å; E75-R78 PolarHBondContact OE1-NH2 2.65Å; E75-R78 IonicContact OE2-CZ 3.32Å; E75-R78 IonicContact OE2-NE 2.75Å; E75-R78 PolarHBondContact OE2-NE 2.92Å; E75-R78 IonicContact OE2-NH2 3.69Å; E75-R78 PolarHBondContact OE2-NH2 3.37Å
76	F	95.8	Very high	86.9	Confident	86 Å²	86	67.8 Å²	67.8	38%	0.377	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-43.3	175.8	-175	-95.1	0	0	0	110.8	L63 I65 R74 F94 I95 L96	L63-F76 HydrophobicContact CB-CB 4.4Å; L63-F76 HydrophobicContact CD2-CB 4.27Å; L63-F76 HydrophobicContact CD2-CD1 3.82Å; L63-F76 HydrophobicContact CD2-CG 4.24Å; L63-F76 HydrophobicContact CG-CB 4.03Å; L63-F76 HydrophobicContact CG-CD1 4.46Å; L63-F76 WeakPolarHBondContact O-CB 3.35Å; L63-F76 PolarHBondContact O-N 3.13Å; I65-F76 HydrophobicContact CD1-CD2 3.83Å; I65-F76 HydrophobicContact CG1-CB 4.31Å; I65-F76 HydrophobicContact CG1-CD2 4.26Å; I65-F76 HydrophobicContact CG2-CB 4.04Å; I65-F76 HydrophobicContact CG2-CD2 4.11Å; I65-F76 HydrophobicContact CG2-CG 4.24Å; R74-F76 PolarHBondContact O-N 2.82Å; F76-F94 HydrophobicContact CD1-CD1 4.03Å; F76-F94 HydrophobicContact CE1-CB 4.33Å; F76-F94 HydrophobicContact CE1-CD1 4.37Å; F76-I95 VanDerWaalsContact CZ-O 3.27Å; F76-I95 WeakPolarHBondContact CZ-O 3.15Å; F76-L96 HydrophobicContact CD1-CD2 4.16Å; F76-L96 HydrophobicContact CD2-CD2 4.16Å; F76-L96 HydrophobicContact CE1-CD2 3.76Å; F76-L96 HydrophobicContact CE2-CD2 3.76Å; F76-L96 HydrophobicContact CG-CD2 4.34Å; F76-L96 HydrophobicContact CZ-CD2 3.55Å
77	G	96.1	Very high	86.6	Confident	12 Å²	12	68.8 Å²	68.8	12%	0.124	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.4	178.9	177.8	0	0	0	0	0	112.9	L63	L63-G77 PolarHBondContact N-O 2.76Å; L63-G77 PolarHBondContact O-N 3.33Å
78	R	97.6	Very high	86.9	Confident	55 Å²	55	66.3 Å²	66.3	21%	0.208	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.4	-179.2	-48.1	-172.6	-175.7	-179.5	-0.2	111	I60 C61 V62 E75 R92 P118	I60-R78 HydrophobicContact CD1-CB 4.01Å; I60-R78 HydrophobicContact CG1-CB 4.49Å; C61-R78 CarbonylContact O-C 3.59Å; C61-R78 VanDerWaalsContact O-CA 3.31Å; C61-R78 WeakPolarHBondContact O-CA 3.49Å; V62-R78 HydrophobicContact CB-CG 4.46Å; V62-R78 HydrophobicContact CG1-CG 4.11Å; V62-R78 HydrophobicContact CG2-CG 4.01Å; E75-R78 VanDerWaalsContact CD-NE 3.34Å; E75-R78 WeakPolarHBondContact OE1-CG 3.13Å; E75-R78 IonicContact OE1-CZ 3.27Å; E75-R78 IonicContact OE1-NE 2.96Å; E75-R78 PolarHBondContact OE1-NE 3.03Å; E75-R78 IonicContact OE1-NH2 3.7Å; E75-R78 PolarHBondContact OE1-NH2 2.65Å; E75-R78 IonicContact OE2-CZ 3.32Å; E75-R78 IonicContact OE2-NE 2.75Å; E75-R78 PolarHBondContact OE2-NE 2.92Å; E75-R78 IonicContact OE2-NH2 3.69Å; E75-R78 PolarHBondContact OE2-NH2 3.37Å; R78-R92 WeakPolarHBondContact O-CD 3.48Å; R78-R92 PolarHBondContact O-NE 2.9Å; R78-R92 PolarHBondContact O-NH1 3.47Å; R78-P118 PolarHBondContact NH1-O 2.98Å
79	T	93	Very high	87.3	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.037	34%	0.336	C	S	.	.			trans	-72.3	176.1	168.2	63.1	0	0	0	0	111.2	C61 F90 F94	C61-T79 HydrophobicContact CB-CG2 3.85Å; C61-T79 PolarHBondContact N-OG1 3.01Å; C61-T79 PolarHBondContact O-N 2.81Å; C61-T79 PolarHBondContact O-OG1 3.48Å; T79-F90 HydrophobicContact CG2-CB 3.89Å; T79-F90 HydrophobicContact CG2-CD1 4.09Å; T79-F90 HydrophobicContact CG2-CD2 4.28Å; T79-F90 HydrophobicContact CG2-CG 3.83Å; T79-F90 VanDerWaalsContact OG1-CD1 3.31Å; T79-F90 WeakPolarHBondContact OG1-CD1 3.1Å; T79-F90 WeakPolarHBondContact OG1-CE1 3.28Å; T79-F94 HydrophobicContact CG2-CE2 4Å; T79-F94 HydrophobicContact CG2-CZ 3.82Å
80	E	90.1	Very high	87.9	Confident	59 Å²	59	66.3 Å²	66.3	28%	0.276	32%	0.32	S	S	.	.			trans	-66	164	157.9	74.5	-74	-180	0	0	111.8	I82 F90 V91 R92	E80-I82 HydrophobicContact CG-CG1 4.38Å; E80-F90 WeakPolarHBondContact O-CD1 3.17Å; E80-F90 WeakPolarHBondContact O-CE1 3.27Å; E80-F90 VanDerWaalsContact OE1-CA 3.32Å; E80-F90 WeakPolarHBondContact OE1-CA 3.2Å; E80-V91 PolarHBondContact OE1-N 2.81Å; E80-R92 WeakPolarHBondContact OE2-CB 3.27Å; E80-R92 PolarHBondContact OE2-N 3.37Å
81	V	91.9	Very high	88	Confident	56 Å²	56	69.5 Å²	69.5	34%	0.339	34%	0.341	S	S	.	.			trans	-87.8	138.5	169.7	-172.5	0	0	0	0	108.1	D58 P59 I60 V113	D58-V81 HydrophobicContact CB-CG1 3.98Å; P59-V81 WeakPolarHBondContact O-CA 3.33Å; I60-V81 HydrophobicContact CB-CG2 4.26Å; I60-V81 HydrophobicContact CD1-CG2 4.16Å; I60-V81 HydrophobicContact CG1-CG2 4.48Å; V81-V113 HydrophobicContact CG1-CB 3.97Å; V81-V113 HydrophobicContact CG1-CG2 3.96Å; V81-V113 HydrophobicContact CG2-CB 4.38Å; V81-V113 HydrophobicContact CG2-CG1 4.36Å; V81-V113 HydrophobicContact CG2-CG2 3.86Å
82	I	80.8	Confident	88	Confident	44 Å²	44	67.3 Å²	67.3	23%	0.226	33%	0.328	C	S	.	.			trans	-116.4	117.2	174.1	-54.7	-176	0	0	0	109	D58 P59 E80 T85 P88 D89 F90	D58-I82 WeakPolarHBondContact CA-O 3.41Å; P59-I82 WeakPolarHBondContact CD-O 3.33Å; P59-I82 PolarHBondContact O-N 3.21Å; P59-I82 VanDerWaalsContact O-N 3.15Å; E80-I82 HydrophobicContact CG-CG1 4.38Å; I82-T85 HydrophobicContact CB-CG2 3.99Å; I82-T85 HydrophobicContact CG2-CG2 3.53Å; I82-P88 HydrophobicContact CB-CB 4.43Å; I82-P88 HydrophobicContact CD1-CB 3.79Å; I82-P88 HydrophobicContact CG1-CB 4.48Å; I82-D89 WeakPolarHBondContact CD1-O 3.29Å; I82-F90 HydrophobicContact CD1-CD1 3.73Å; I82-F90 HydrophobicContact CD1-CE1 4.04Å; I82-F90 HydrophobicContact CD1-CG 4.35Å; I82-F90 HydrophobicContact CG1-CD1 3.98Å; I82-F90 HydrophobicContact CG1-CE1 4.02Å
83	D	85.1	Confident	87.9	Confident	125 Å²	125	64.3 Å²	64.3	67%	0.668	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	137.7	-173.7	-55.3	-11.1	0	0	0	112.4	D58 T85	D58-D83 VanDerWaalsContact OD1-CA 3.28Å; D58-D83 WeakPolarHBondContact OD1-CA 3.09Å; D83-T85 PolarHBondContact O-N 3.02Å
84	N	83.3	Confident	87.8	Confident	92 Å²	92	61.4 Å²	61.4	49%	0.492	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	51.7	164.4	-167.5	18.9	0	0	0	114.3	K56 S57 D58	K56-N84 WeakPolarHBondContact CB-OD1 3.37Å; K56-N84 WeakPolarHBondContact CG-OD1 3.17Å; K56-N84 PolarHBondContact N-OD1 2.84Å; S57-N84 WeakPolarHBondContact O-CA 3.46Å; S57-N84 PolarHBondContact O-N 3.1Å; D58-N84 PolarHBondContact OD1-N 3.02Å
85	T	82.8	Confident	87.6	Confident	29 Å²	29	59.7 Å²	59.7	18%	0.178	30%	0.301	C	S	.	.			trans	-144.1	139.5	179.8	-170.5	0	0	0	0	113.8	S57 P59 I82 D83 N87 P88	S57-T85 PolarHBondContact O-N 3.31Å; P59-T85 VanDerWaalsContact CD-O 3.3Å; P59-T85 WeakPolarHBondContact CD-O 3.46Å; P59-T85 HydrophobicContact CG-CG2 3.88Å; P59-T85 WeakPolarHBondContact CG-O 3.34Å; I82-T85 HydrophobicContact CB-CG2 3.99Å; I82-T85 HydrophobicContact CG2-CG2 3.53Å; D83-T85 PolarHBondContact O-N 3.02Å; T85-N87 PolarHBondContact OG1-N 3.45Å; T85-N87 VanDerWaalsContact OG1-N 3.07Å; T85-P88 HydrophobicContact CG2-CB 4.01Å
86	L	86.9	Confident	87.4	Confident	32 Å²	32	56.1 Å²	56.1	17%	0.168	29%	0.285	C	S	.	.	S	Bend	trans	-96.7	0.1	168.9	-54.3	-179.1	0	0	0	112.3	R46 N47 L48 D50 K56 P88	R46-L86 CarbonylContact C-O 3.58Å; N47-L86 PolarHBondContact N-O 3.11Å; L48-L86 HydrophobicContact CB-CB 4.35Å; L48-L86 HydrophobicContact CB-CD2 4.38Å; L48-L86 PolarHBondContact N-O 2.9Å; D50-L86 HydrophobicContact CB-CD1 4.07Å; D50-L86 HydrophobicContact CB-CD2 4.11Å; K56-L86 HydrophobicContact CB-CD2 4.16Å; K56-L86 HydrophobicContact CB-CG 4.24Å; K56-L86 HydrophobicContact CD-CG 4.35Å; K56-L86 HydrophobicContact CG-CG 4.38Å; L86-P88 VanDerWaalsContact C-CD 3.46Å
87	N	85.1	Confident	87	Confident	65 Å²	65	55.8 Å²	55.8	35%	0.348	29%	0.287	S	S	.	.	S	Bend	trans	-131.9	58.8	-176.8	-58.8	-72.7	0	0	0	111.2	C45 R46 N47 T85	C45-N87 CarbonylContact O-C 3.48Å; C45-N87 WeakPolarHBondContact O-CA 3.43Å; R46-N87 VanDerWaalsContact CA-OD1 3.26Å; R46-N87 WeakPolarHBondContact CA-OD1 3.48Å; R46-N87 WeakPolarHBondContact CD-OD1 3.42Å; N47-N87 PolarHBondContact N-OD1 3.03Å; T85-N87 PolarHBondContact OG1-N 3.45Å; T85-N87 VanDerWaalsContact OG1-N 3.07Å
88	P	85	Confident	86.6	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	28%	0.282	C	S	.	.			trans	-67.5	141.1	-177.9	29.4	-36.5	0	0	0	111.8	S44 C45 R46 L48 P59 I82 T85 L86 F90	S44-P88 CarbonylContact C-O 3.52Å; S44-P88 VanDerWaalsContact CA-O 3.29Å; S44-P88 WeakPolarHBondContact CA-O 3.33Å; S44-P88 VanDerWaalsContact CB-O 3.28Å; S44-P88 WeakPolarHBondContact CB-O 2.65Å; C45-P88 HydrophobicContact CB-CG 3.76Å; C45-P88 PolarHBondContact N-O 3.05Å; R46-P88 PolarHBondContact NH1-O 2.86Å; L48-P88 HydrophobicContact CD1-CG 3.74Å; P59-P88 HydrophobicContact CB-CB 4.48Å; P59-P88 HydrophobicContact CB-CG 4.04Å; P59-P88 HydrophobicContact CG-CB 3.75Å; P59-P88 HydrophobicContact CG-CG 3.65Å; I82-P88 HydrophobicContact CB-CB 4.43Å; I82-P88 HydrophobicContact CD1-CB 3.79Å; I82-P88 HydrophobicContact CG1-CB 4.48Å; T85-P88 HydrophobicContact CG2-CB 4.01Å; L86-P88 VanDerWaalsContact C-CD 3.46Å; P88-F90 HydrophobicContact CB-CD2 4.44Å; P88-F90 HydrophobicContact CB-CE1 4.08Å; P88-F90 HydrophobicContact CB-CE2 3.88Å; P88-F90 HydrophobicContact CB-CZ 3.69Å; P88-F90 HydrophobicContact CG-CE2 3.82Å; P88-F90 HydrophobicContact CG-CZ 3.8Å
89	D	81.9	Confident	86.2	Confident	91 Å²	91	53.3 Å²	53.3	49%	0.487	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-117.9	103.3	165	-70.4	-56.4	0	0	0	107.5	S44 R46 I82	S44-D89 WeakPolarHBondContact CB-OD1 3.22Å; R46-D89 IonicContact CZ-OD1 3.25Å; R46-D89 VanDerWaalsContact CZ-OD1 3.3Å; R46-D89 IonicContact CZ-OD2 2.78Å; R46-D89 IonicContact NH1-OD1 2.85Å; R46-D89 PolarHBondContact NH1-OD1 3.04Å; R46-D89 IonicContact NH1-OD2 2.79Å; R46-D89 IonicContact NH2-OD1 3.68Å; R46-D89 PolarHBondContact NH2-OD1 3.34Å; R46-D89 IonicContact NH2-OD2 3.37Å; R46-D89 PolarHBondContact NH2-OD2 3.36Å; I82-D89 WeakPolarHBondContact CD1-O 3.29Å
90	F	81.4	Confident	85.9	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.018	27%	0.273	C	S	.	.			trans	-78.7	131.9	-173.8	-59.2	-77.8	0	0	0	111.6	V43 P59 C61 T79 E80 I82 P88 K93	V43-F90 HydrophobicContact CB-CD2 4.07Å; V43-F90 HydrophobicContact CG1-CD2 4.03Å; V43-F90 HydrophobicContact CG1-CE2 4.32Å; V43-F90 WeakPolarHBondContact O-CB 3.44Å; V43-F90 WeakPolarHBondContact O-CD2 3.35Å; V43-F90 PolarHBondContact O-N 3.01Å; V43-F90 VanDerWaalsContact O-N 3.13Å; P59-F90 HydrophobicContact CB-CZ 4.25Å; P59-F90 WeakPolarHBondContact O-CE1 3.38Å; C61-F90 HydrophobicContact CB-CD2 4.42Å; C61-F90 HydrophobicContact CB-CE2 3.96Å; C61-F90 HydrophobicContact CB-CZ 4.2Å; T79-F90 HydrophobicContact CG2-CB 3.89Å; T79-F90 HydrophobicContact CG2-CD1 4.09Å; T79-F90 HydrophobicContact CG2-CD2 4.28Å; T79-F90 HydrophobicContact CG2-CG 3.83Å; T79-F90 VanDerWaalsContact OG1-CD1 3.31Å; T79-F90 WeakPolarHBondContact OG1-CD1 3.1Å; T79-F90 WeakPolarHBondContact OG1-CE1 3.28Å; E80-F90 WeakPolarHBondContact O-CD1 3.17Å; E80-F90 WeakPolarHBondContact O-CE1 3.27Å; E80-F90 VanDerWaalsContact OE1-CA 3.32Å; E80-F90 WeakPolarHBondContact OE1-CA 3.2Å; I82-F90 HydrophobicContact CD1-CD1 3.73Å; I82-F90 HydrophobicContact CD1-CE1 4.04Å; I82-F90 HydrophobicContact CD1-CG 4.35Å; I82-F90 HydrophobicContact CG1-CD1 3.98Å; I82-F90 HydrophobicContact CG1-CE1 4.02Å; P88-F90 HydrophobicContact CB-CD2 4.44Å; P88-F90 HydrophobicContact CB-CE1 4.08Å; P88-F90 HydrophobicContact CB-CE2 3.88Å; P88-F90 HydrophobicContact CB-CZ 3.69Å; P88-F90 HydrophobicContact CG-CE2 3.82Å; P88-F90 HydrophobicContact CG-CZ 3.8Å; F90-K93 PolarHBondContact O-NZ 2.7Å
91	V	78.4	Confident	85.8	Confident	116 Å²	116	51.4 Å²	51.4	70%	0.703	27%	0.265	S	S	*	.			trans	-75.2	-45.1	175.2	-179.3	0	0	0	0	110	E80 K93	E80-V91 PolarHBondContact OE1-N 2.81Å; V91-K93 WeakPolarHBondContact O-CD 3.45Å; V91-K93 VanDerWaalsContact O-CE 3.23Å; V91-K93 WeakPolarHBondContact O-CE 3.15Å; V91-K93 WeakPolarHBondContact O-CG 3.03Å; V91-K93 PolarHBondContact O-N 2.88Å
92	R	78.7	Confident	85.6	Confident	136 Å²	136	51 Å²	51	51%	0.513	26%	0.259	S	S	.	.			trans	-66.8	132.1	179.6	-175.6	167.4	179.7	-177.8	8.3	110.7	R78 E80	R78-R92 WeakPolarHBondContact O-CD 3.48Å; R78-R92 PolarHBondContact O-NE 2.9Å; R78-R92 PolarHBondContact O-NH1 3.47Å; E80-R92 WeakPolarHBondContact OE2-CB 3.27Å; E80-R92 PolarHBondContact OE2-N 3.37Å
93	K	86.3	Confident	85.9	Confident	67 Å²	67	52.9 Å²	52.9	29%	0.291	26%	0.264	S	S	.	.			trans	-110.1	155.3	-179.1	-46.5	-57.8	-174.2	-175.8	0	111.2	E40 V41 S42 F90 V91	E40-K93 HydrophobicContact CG-CB 3.33Å; E40-K93 HydrophobicContact CG-CG 3.78Å; V41-K93 WeakPolarHBondContact O-CA 3.35Å; S42-K93 VanDerWaalsContact CB-NZ 3.31Å; S42-K93 WeakPolarHBondContact OG-CD 3.24Å; S42-K93 WeakPolarHBondContact OG-CE 3.4Å; S42-K93 PolarHBondContact OG-NZ 3.21Å; F90-K93 PolarHBondContact O-NZ 2.7Å; V91-K93 WeakPolarHBondContact O-CD 3.45Å; V91-K93 VanDerWaalsContact O-CE 3.23Å; V91-K93 WeakPolarHBondContact O-CE 3.15Å; V91-K93 WeakPolarHBondContact O-CG 3.03Å; V91-K93 PolarHBondContact O-N 2.88Å
94	F	92.3	Very high	86.2	Confident	5 Å²	5	48.3 Å²	48.3	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.7	173.6	-58.6	-68.8	0	0	0	109.7	E40 V41 V43 L63 F76 T79 F108	E40-F94 CarbonylContact C-O 3.56Å; E40-F94 WeakPolarHBondContact CA-O 3.42Å; V41-F94 HydrophobicContact CB-CB 4.41Å; V41-F94 PolarHBondContact N-O 3.39Å; V41-F94 PolarHBondContact O-N 2.83Å; V43-F94 HydrophobicContact CG2-CD2 4.1Å; V43-F94 HydrophobicContact CG2-CE2 3.84Å; L63-F94 HydrophobicContact CB-CD1 4.13Å; L63-F94 HydrophobicContact CB-CD2 4.19Å; L63-F94 HydrophobicContact CB-CE1 3.87Å; L63-F94 HydrophobicContact CB-CE2 3.92Å; L63-F94 HydrophobicContact CB-CG 4.28Å; L63-F94 HydrophobicContact CB-CZ 3.75Å; L63-F94 HydrophobicContact CD2-CB 3.74Å; L63-F94 HydrophobicContact CD2-CD1 3.92Å; L63-F94 HydrophobicContact CD2-CD2 3.87Å; L63-F94 HydrophobicContact CD2-CE2 4.45Å; L63-F94 HydrophobicContact CD2-CG 3.56Å; F76-F94 HydrophobicContact CD1-CD1 4.03Å; F76-F94 HydrophobicContact CE1-CB 4.33Å; F76-F94 HydrophobicContact CE1-CD1 4.37Å; T79-F94 HydrophobicContact CG2-CE2 4Å; T79-F94 HydrophobicContact CG2-CZ 3.82Å; F94-F108 HydrophobicContact CD2-CE1 4.43Å; F94-F108 HydrophobicContact CE2-CE1 4.44Å
95	I	91.1	Very high	86.8	Confident	85 Å²	85	45.8 Å²	45.8	44%	0.436	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.5	177.6	-59.8	-176.8	0	0	0	108.3	V39 F76 L166	V39-I95 WeakPolarHBondContact O-CA 3.47Å; F76-I95 VanDerWaalsContact CZ-O 3.27Å; F76-I95 WeakPolarHBondContact CZ-O 3.15Å; I95-L166 HydrophobicContact CB-CD1 4.1Å; I95-L166 HydrophobicContact CD1-CD1 3.94Å; I95-L166 HydrophobicContact CG1-CD1 3.76Å; I95-L166 HydrophobicContact CG2-CD1 3.5Å; I95-L166 VanDerWaalsContact CG2-CD1 3.5Å
96	L	91.2	Very high	87.4	Confident	12 Å²	12	44.6 Å²	44.6	6%	0.063	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.7	-177.2	-61.3	170.3	0	0	0	110.3	R38 V39 V41 L63 I65 F76 L106 L133	R38-L96 CarbonylContact C-O 3.51Å; R38-L96 WeakPolarHBondContact CA-O 3.36Å; V39-L96 PolarHBondContact N-O 2.69Å; V39-L96 PolarHBondContact O-N 2.57Å; V41-L96 HydrophobicContact CG2-CD1 3.96Å; L63-L96 HydrophobicContact CD2-CD1 4.34Å; L63-L96 HydrophobicContact CD2-CD2 4.32Å; I65-L96 HydrophobicContact CG2-CD2 4.5Å; F76-L96 HydrophobicContact CD1-CD2 4.16Å; F76-L96 HydrophobicContact CD2-CD2 4.16Å; F76-L96 HydrophobicContact CE1-CD2 3.76Å; F76-L96 HydrophobicContact CE2-CD2 3.76Å; F76-L96 HydrophobicContact CG-CD2 4.34Å; F76-L96 HydrophobicContact CZ-CD2 3.55Å; L96-L106 HydrophobicContact CD1-CD1 4.17Å; L96-L106 HydrophobicContact CD1-CD2 4.08Å; L96-L133 HydrophobicContact CB-CD2 4.02Å; L96-L133 HydrophobicContact CD1-CD1 4.07Å; L96-L133 HydrophobicContact CD1-CD2 4.31Å
97	D	88.3	Confident	87.9	Confident	79 Å²	79	45 Å²	45	42%	0.422	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	136.6	164.5	-68.4	-35.9	0	0	0	108.5	P35 R38 F99	P35-D97 HydrophobicContact CB-CB 3.95Å; P35-D97 HydrophobicContact CG-CB 4.31Å; R38-D97 WeakPolarHBondContact CD-OD1 3.39Å; R38-D97 WeakPolarHBondContact CG-OD1 3.47Å; D97-F99 HydrophobicContact CB-CE2 3.84Å
98	Y	88.3	Confident	88.6	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.2	-179.2	170	-100.1	0	0	0	111.3	A36 T37 V39 F100 E104 L133 V137 L312 Y367	A36-Y98 PolarHBondContact N-O 3.07Å; T37-Y98 HydrophobicContact CG2-CD1 3.86Å; T37-Y98 PolarHBondContact N-O 3.18Å; T37-Y98 PolarHBondContact O-N 2.99Å; V39-Y98 HydrophobicContact CG2-CG 4.27Å; Y98-F100 HydrophobicContact CE1-CB 4.4Å; Y98-E104 WeakPolarHBondContact CA-OE1 3.35Å; Y98-L133 HydrophobicContact CD2-CD2 3.95Å; Y98-L133 HydrophobicContact CD2-CG 4.06Å; Y98-L133 HydrophobicContact CG-CD2 4.48Å; Y98-V137 HydrophobicContact CD2-CG2 4.43Å; Y98-V137 HydrophobicContact CE2-CG2 3.68Å; Y98-L312 HydrophobicContact CD1-CD1 4Å; Y98-L312 HydrophobicContact CE1-CD1 3.9Å; Y98-L312 HydrophobicContact CE1-CD2 3.82Å; Y98-L312 HydrophobicContact CE1-CG 4.04Å; Y98-Y367 WeakPolarHBondContact CE2-OH 3.21Å; Y98-Y367 VanDerWaalsContact OH-CE1 3.29Å; Y98-Y367 WeakPolarHBondContact OH-CE1 3.48Å; Y98-Y367 VanDerWaalsContact OH-CZ 3.26Å; Y98-Y367 PolarHBondContact OH-OH 2.85Å
99	F	87.8	Confident	89.2	Confident	11 Å²	11	42 Å²	42	5%	0.048	20%	0.2	C	C	.	.			trans	-128	119.7	176.4	-60.6	-94.7	0	0	0	108.6	A33 P35 D97 E101 E102 E104	A33-F99 HydrophobicContact CB-CE1 4.21Å; P35-F99 VanDerWaalsContact CA-CZ 3.5Å; P35-F99 HydrophobicContact CB-CE1 3.92Å; P35-F99 HydrophobicContact CB-CE2 3.96Å; P35-F99 HydrophobicContact CB-CZ 3.56Å; P35-F99 HydrophobicContact CG-CZ 4.32Å; D97-F99 HydrophobicContact CB-CE2 3.84Å; F99-E101 PolarHBondContact O-N 3.19Å; F99-E102 HydrophobicContact CB-CB 3.92Å; F99-E102 HydrophobicContact CB-CG 3.75Å; F99-E102 HydrophobicContact CG-CG 4.34Å; F99-E102 PolarHBondContact O-N 3.4Å; F99-E104 PolarHBondContact N-OE1 2.85Å
100	F	87.4	Confident	89.9	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.013	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-35.2	-179.1	168.7	-99.7	0	0	0	111.6	Y98 E102 F311 I363 Y367 L541 I544 P545	Y98-F100 HydrophobicContact CE1-CB 4.4Å; F100-E102 VanDerWaalsContact C-N 3.33Å; F100-F311 HydrophobicContact CD2-CD1 4.37Å; F100-F311 AromaticContact CD2-CE1 3.57Å; F100-F311 HydrophobicContact CD2-CE1 3.57Å; F100-F311 HydrophobicContact CD2-CZ 4.05Å; F100-F311 AromaticContact CE2-CE1 3.75Å; F100-F311 HydrophobicContact CE2-CE1 3.75Å; F100-F311 AromaticContact CE2-CZ 3.75Å; F100-F311 HydrophobicContact CE2-CZ 3.75Å; F100-F311 HydrophobicContact CG-CE1 4.48Å; F100-F311 HydrophobicContact CZ-CZ 4.5Å; F100-I363 WeakPolarHBondContact O-CG2 3.38Å; F100-Y367 HydrophobicContact CD2-CD2 4.34Å; F100-Y367 HydrophobicContact CD2-CE1 4.09Å; F100-Y367 AromaticContact CD2-CE2 3.8Å; F100-Y367 HydrophobicContact CD2-CE2 3.8Å; F100-Y367 AromaticContact CD2-CZ 3.67Å; F100-Y367 HydrophobicContact CE2-CD1 4.32Å; F100-Y367 AromaticContact CE2-CD2 3.7Å; F100-Y367 HydrophobicContact CE2-CD2 3.7Å; F100-Y367 HydrophobicContact CE2-CE1 4.22Å; F100-Y367 AromaticContact CE2-CE2 3.59Å; F100-Y367 HydrophobicContact CE2-CE2 3.59Å; F100-Y367 HydrophobicContact CE2-CG 4.08Å; F100-Y367 AromaticContact CE2-CZ 3.88Å; F100-L541 HydrophobicContact CD1-CB 4.13Å; F100-L541 WeakPolarHBondContact CD1-O 3.41Å; F100-L541 HydrophobicContact CE1-CB 3.89Å; F100-L541 HydrophobicContact CE1-CD2 4.19Å; F100-L541 HydrophobicContact CE1-CG 4.49Å; F100-I544 HydrophobicContact CE1-CB 3.81Å; F100-I544 HydrophobicContact CE1-CG1 4.43Å; F100-I544 HydrophobicContact CE1-CG2 4.06Å; F100-I544 HydrophobicContact CZ-CB 4.34Å; F100-I544 HydrophobicContact CZ-CG2 4.07Å; F100-P545 HydrophobicContact CB-CG 3.92Å; F100-P545 HydrophobicContact CD1-CG 3.64Å; F100-P545 HydrophobicContact CD2-CG 4.46Å; F100-P545 HydrophobicContact CE1-CG 4.3Å; F100-P545 HydrophobicContact CG-CG 3.73Å
101	E	87.8	Confident	90.6	Very high	22 Å²	22	38.9 Å²	38.9	10%	0.103	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.1	-174.2	73.8	-80	-170.1	0	0	114.2	F99 I363 K538 L541	F99-E101 PolarHBondContact O-N 3.19Å; E101-I363 WeakPolarHBondContact O-CD1 3.38Å; E101-K538 HydrophobicContact CG-CB 4.2Å; E101-K538 HydrophobicContact CG-CG 3.69Å; E101-L541 HydrophobicContact CB-CB 3.69Å
102	E	87.8	Confident	91.3	Very high	49 Å²	49	33.3 Å²	33.3	23%	0.229	15%	0.148	C	C	.	.	S	Bend	trans	-117	154.3	178.8	-57.7	-167.9	-179.1	0	0	111.8	F99 F100 K538	F99-E102 HydrophobicContact CB-CB 3.92Å; F99-E102 HydrophobicContact CB-CG 3.75Å; F99-E102 HydrophobicContact CG-CG 4.34Å; F99-E102 PolarHBondContact O-N 3.4Å; F100-E102 VanDerWaalsContact C-N 3.33Å; E102-K538 IonicContact OE1-NZ 2.72Å; E102-K538 PolarHBondContact OE1-NZ 3.09Å
103	R	87.7	Confident	91.9	Very high	83 Å²	83	28 Å²	28	31%	0.313	13%	0.131	S	C	.	.			trans	-99.2	91.8	172.2	-173.2	-178.8	175.6	142.1	14.9	109.4	N105 T132 E362 I363	R103-N105 PolarHBondContact NE-OD1 2.92Å; R103-N105 PolarHBondContact O-N 3.47Å; R103-T132 HydrophobicContact CG-CG2 3.84Å; R103-E362 IonicContact CZ-OE2 3.15Å; R103-E362 IonicContact NH1-OE1 2.9Å; R103-E362 PolarHBondContact NH1-OE1 2.78Å; R103-E362 IonicContact NH1-OE2 3.82Å; R103-E362 PolarHBondContact NH1-OE2 2.83Å; R103-I363 HydrophobicContact CB-CG1 4.01Å
104	E	91.5	Very high	91.9	Very high	28 Å²	28	28.8 Å²	28.8	13%	0.131	14%	0.138	C	C	.	.			trans	-85.6	97.6	179.5	-46.5	106.1	131.3	0	0	111.5	Y98 F99 T132 L133	Y98-E104 WeakPolarHBondContact CA-OE1 3.35Å; F99-E104 PolarHBondContact N-OE1 2.85Å; E104-T132 CarbonylContact O-C 3.47Å; E104-T132 WeakPolarHBondContact O-CA 3.27Å; E104-L133 HydrophobicContact CB-CB 4Å; E104-L133 PolarHBondContact O-N 2.88Å
105	N	94.3	Very high	91.7	Very high	40 Å²	40	30.8 Å²	30.8	21%	0.214	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.9	-179.5	-70	-30.2	0	0	0	112.1	Q66 W73 R103	Q66-N105 HydrophobicContact CB-CB 4.13Å; Q66-N105 PolarHBondContact N-O 2.88Å; Q66-N105 PolarHBondContact OE1-ND2 2.89Å; Q66-N105 VanDerWaalsContact OE1-ND2 3.15Å; W73-N105 HydrophobicContact CH2-CB 3.97Å; W73-N105 HydrophobicContact CZ3-CB 4.42Å; R103-N105 PolarHBondContact NE-OD1 2.92Å; R103-N105 PolarHBondContact O-N 3.47Å
106	L	97.1	Very high	91.4	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.2	179.4	-51.8	-179.2	0	0	0	110.8	L63 I65 L96 F108 F130 C131 L133 I136	L63-L106 HydrophobicContact CD1-CB 4.1Å; L63-L106 HydrophobicContact CD1-CD2 4.29Å; I65-L106 HydrophobicContact CG2-CD2 3.88Å; L96-L106 HydrophobicContact CD1-CD1 4.17Å; L96-L106 HydrophobicContact CD1-CD2 4.08Å; L106-F108 HydrophobicContact CB-CD2 4.46Å; L106-F108 HydrophobicContact CB-CE2 3.77Å; L106-F108 HydrophobicContact CB-CZ 4.43Å; L106-F108 HydrophobicContact CD1-CE2 4.11Å; L106-F108 HydrophobicContact CD1-CZ 4.15Å; L106-F130 WeakPolarHBondContact O-CA 3.35Å; L106-C131 WeakPolarHBondContact CA-O 3.37Å; L106-C131 PolarHBondContact N-O 2.88Å; L106-C131 PolarHBondContact O-N 3.07Å; L106-C131 VanDerWaalsContact O-N 3.1Å; L106-L133 HydrophobicContact CD1-CB 4.12Å; L106-L133 HydrophobicContact CD1-CD1 4.33Å; L106-I136 HydrophobicContact CD1-CD1 3.77Å
107	R	97.6	Very high	91.3	Very high	40 Å²	40	36.9 Å²	36.9	15%	0.151	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.2	169	-174.6	-173	87.6	-157.8	3.3	109.8	Y64 W73 D109 V129 F130	Y64-R107 PolarHBondContact N-O 3.42Å; Y64-R107 PolarHBondContact O-N 2.98Å; W73-R107 HydrophobicContact CD2-CB 4.17Å; W73-R107 HydrophobicContact CE3-CB 3.71Å; W73-R107 HydrophobicContact CH2-CB 3.74Å; W73-R107 HydrophobicContact CZ2-CB 4.2Å; W73-R107 HydrophobicContact CZ3-CB 3.48Å; W73-R107 VanDerWaalsContact CZ3-CB 3.48Å; R107-D109 WeakPolarHBondContact CD-OD1 3.31Å; R107-D109 WeakPolarHBondContact CG-OD1 3.2Å; R107-D109 IonicContact CZ-OD1 2.74Å; R107-D109 IonicContact CZ-OD2 3.48Å; R107-D109 IonicContact NE-OD1 3.56Å; R107-D109 PolarHBondContact NE-OD1 3.06Å; R107-D109 IonicContact NE-OD2 3.49Å; R107-D109 PolarHBondContact NE-OD2 2.93Å; R107-D109 VanDerWaalsContact NE-OD2 3.15Å; R107-D109 IonicContact NH2-OD1 3.83Å; R107-D109 IonicContact NH2-OD2 3.88Å; R107-D109 PolarHBondContact NH2-OD2 2.98Å; R107-V129 CarbonylContact C-O 3.56Å; R107-V129 WeakPolarHBondContact CA-O 3.25Å; R107-F130 HydrophobicContact CB-CD1 3.96Å; R107-F130 HydrophobicContact CB-CE1 3.99Å; R107-F130 VanDerWaalsContact CD-CZ 3.46Å; R107-F130 HydrophobicContact CG-CD1 3.8Å; R107-F130 HydrophobicContact CG-CE1 3.52Å; R107-F130 HydrophobicContact CG-CE2 4.46Å; R107-F130 HydrophobicContact CG-CG 4.41Å; R107-F130 HydrophobicContact CG-CZ 3.87Å
108	F	98.3	Very high	91.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.9	177.4	-62.9	-97.2	0	0	0	108.5	V41 V43 V62 L63 F94 L106 Q128 V129 I136 I159 L161	V41-F108 HydrophobicContact CG1-CZ 4.32Å; V43-F108 HydrophobicContact CG2-CD1 4.1Å; V43-F108 HydrophobicContact CG2-CE1 3.8Å; V62-F108 WeakPolarHBondContact O-CA 3.2Å; L63-F108 HydrophobicContact CB-CE1 4.49Å; L63-F108 HydrophobicContact CD1-CD1 4.03Å; L63-F108 HydrophobicContact CD1-CD2 4.34Å; L63-F108 HydrophobicContact CD1-CE1 3.71Å; L63-F108 HydrophobicContact CD1-CE2 4.01Å; L63-F108 HydrophobicContact CD1-CG 4.34Å; L63-F108 HydrophobicContact CD1-CZ 3.7Å; L63-F108 HydrophobicContact CG-CE1 4.46Å; F94-F108 HydrophobicContact CD2-CE1 4.43Å; F94-F108 HydrophobicContact CE2-CE1 4.44Å; L106-F108 HydrophobicContact CB-CD2 4.46Å; L106-F108 HydrophobicContact CB-CE2 3.77Å; L106-F108 HydrophobicContact CB-CZ 4.43Å; L106-F108 HydrophobicContact CD1-CE2 4.11Å; L106-F108 HydrophobicContact CD1-CZ 4.15Å; F108-Q128 CarbonylContact O-C 3.55Å; F108-Q128 WeakPolarHBondContact O-CA 3.33Å; F108-V129 PolarHBondContact N-O 3.37Å; F108-V129 PolarHBondContact O-N 2.94Å; F108-I136 HydrophobicContact CZ-CD1 4.46Å; F108-I159 HydrophobicContact CB-CD1 3.8Å; F108-I159 HydrophobicContact CD1-CD1 4.3Å; F108-I159 HydrophobicContact CG-CD1 4.03Å; F108-L161 HydrophobicContact CD1-CD2 4.1Å; F108-L161 HydrophobicContact CD2-CD1 4.01Å; F108-L161 HydrophobicContact CD2-CD2 4.48Å; F108-L161 HydrophobicContact CE1-CD2 3.74Å; F108-L161 HydrophobicContact CE2-CD1 3.58Å; F108-L161 HydrophobicContact CE2-CD2 4.18Å; F108-L161 HydrophobicContact CG-CD2 4.45Å; F108-L161 HydrophobicContact CZ-CD1 3.92Å; F108-L161 HydrophobicContact CZ-CD2 3.79Å
109	D	98.1	Very high	91.3	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.3	175.5	-62.5	-7.7	0	0	0	109.2	C61 V62 Y64 R107 Y111 F125 Q128	C61-D109 WeakPolarHBondContact CA-O 3.47Å; V62-D109 HydrophobicContact CB-CB 4.49Å; V62-D109 PolarHBondContact N-O 2.74Å; V62-D109 PolarHBondContact O-N 3.48Å; Y64-D109 HydrophobicContact CE2-CB 4.04Å; Y64-D109 WeakPolarHBondContact CE2-OD2 3.41Å; R107-D109 WeakPolarHBondContact CD-OD1 3.31Å; R107-D109 WeakPolarHBondContact CG-OD1 3.2Å; R107-D109 IonicContact CZ-OD1 2.74Å; R107-D109 IonicContact CZ-OD2 3.48Å; R107-D109 IonicContact NE-OD1 3.56Å; R107-D109 PolarHBondContact NE-OD1 3.06Å; R107-D109 IonicContact NE-OD2 3.49Å; R107-D109 PolarHBondContact NE-OD2 2.93Å; R107-D109 VanDerWaalsContact NE-OD2 3.15Å; R107-D109 IonicContact NH2-OD1 3.83Å; R107-D109 IonicContact NH2-OD2 3.88Å; R107-D109 PolarHBondContact NH2-OD2 2.98Å; D109-Y111 HydrophobicContact CB-CD2 4.4Å; D109-Y111 HydrophobicContact CB-CE2 3.6Å; D109-F125 HydrophobicContact CB-CE2 4.25Å; D109-Q128 WeakPolarHBondContact OD1-CB 3.38Å
110	L	96.9	Very high	91.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.2	-178.7	-66.3	-56.1	0	0	0	109.2	I60 C61 L126 G127 I148 I159	I60-L110 WeakPolarHBondContact O-CA 3.36Å; C61-L110 HydrophobicContact CB-CD1 3.61Å; L110-L126 HydrophobicContact CB-CB 3.95Å; L110-L126 WeakPolarHBondContact O-CB 3.48Å; L110-L126 PolarHBondContact O-N 2.8Å; L110-G127 PolarHBondContact N-O 3.41Å; L110-G127 PolarHBondContact O-N 2.6Å; L110-I148 HydrophobicContact CG-CD1 4.49Å; L110-I159 HydrophobicContact CD2-CD1 4.38Å
111	Y	96	Very high	91.6	Very high	29 Å²	29	46 Å²	46	11%	0.114	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.8	179.2	-64.1	-94.1	0	0	0	111.3	P59 I60 V62 D109 L120 H123 D124 F125	P59-Y111 CarbonylContact C-O 3.56Å; P59-Y111 VanDerWaalsContact CA-O 3.28Å; P59-Y111 WeakPolarHBondContact CA-O 3.4Å; I60-Y111 PolarHBondContact N-O 3.34Å; I60-Y111 PolarHBondContact O-N 2.88Å; V62-Y111 HydrophobicContact CG2-CD2 4.07Å; V62-Y111 HydrophobicContact CG2-CE2 4.14Å; D109-Y111 HydrophobicContact CB-CD2 4.4Å; D109-Y111 HydrophobicContact CB-CE2 3.6Å; Y111-L120 HydrophobicContact CD2-CD2 4.02Å; Y111-L120 HydrophobicContact CE1-CB 4.26Å; Y111-L120 HydrophobicContact CE2-CD1 4.02Å; Y111-L120 HydrophobicContact CE2-CD2 4.12Å; Y111-L120 HydrophobicContact CE2-CG 4.46Å; Y111-L120 HydrophobicContact CG-CD2 4.35Å; Y111-H123 HydrophobicContact CD1-CB 4.16Å; Y111-H123 HydrophobicContact CG-CB 4.49Å; Y111-D124 CarbonylContact C-O 3.59Å; Y111-D124 VanDerWaalsContact CA-O 3.27Å; Y111-D124 WeakPolarHBondContact CA-O 3.31Å; Y111-F125 HydrophobicContact CD1-CB 4.32Å; Y111-F125 HydrophobicContact CD1-CD2 4.22Å; Y111-F125 HydrophobicContact CE1-CB 4.18Å; Y111-F125 AromaticContact CE1-CD2 3.75Å; Y111-F125 HydrophobicContact CE1-CD2 3.75Å; Y111-F125 HydrophobicContact CE1-CG 4.44Å; Y111-F125 HydrophobicContact CE2-CD2 4.45Å; Y111-F125 AromaticContact CZ-CD2 3.87Å
112	D	93.8	Very high	91.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.2	169.4	-164.9	-2.7	0	0	0	109.5	S57 D58 D114 H123 D124 L126	S57-D112 VanDerWaalsContact CA-OD1 3.3Å; S57-D112 WeakPolarHBondContact CA-OD1 3.42Å; S57-D112 VanDerWaalsContact CA-OD2 3.28Å; S57-D112 WeakPolarHBondContact CA-OD2 3.22Å; S57-D112 WeakPolarHBondContact CB-OD1 3.4Å; S57-D112 WeakPolarHBondContact CB-OD2 3.2Å; S57-D112 PolarHBondContact OG-OD2 2.78Å; D58-D112 PolarHBondContact N-OD1 3Å; D112-D114 PolarHBondContact O-N 2.89Å; D112-H123 WeakPolarHBondContact O-CA 3.29Å; D112-H123 VanDerWaalsContact O-CB 3.25Å; D112-H123 WeakPolarHBondContact O-CB 3.14Å; D112-D124 HydrophobicContact CB-CB 3.99Å; D112-D124 PolarHBondContact N-O 2.86Å; D112-D124 PolarHBondContact O-N 2.77Å; D112-D124 VanDerWaalsContact O-N 3.14Å; D112-L126 HydrophobicContact CB-CD1 4.05Å; D112-L126 HydrophobicContact CB-CD2 3.98Å; D112-L126 HydrophobicContact CB-CG 4.03Å
113	V	91.2	Very high	92	Very high	25 Å²	25	49.1 Å²	49.1	15%	0.152	25%	0.253	C	S	.	.			trans	-90	91.5	-167.6	-179	0	0	0	0	111.8	D58 I60 V81 S115	D58-V113 HydrophobicContact CB-CB 4.4Å; D58-V113 PolarHBondContact O-N 2.88Å; I60-V113 HydrophobicContact CB-CG2 3.94Å; I60-V113 HydrophobicContact CG2-CG2 3.49Å; I60-V113 VanDerWaalsContact CG2-CG2 3.49Å; V81-V113 HydrophobicContact CG1-CB 3.97Å; V81-V113 HydrophobicContact CG1-CG2 3.96Å; V81-V113 HydrophobicContact CG2-CB 4.38Å; V81-V113 HydrophobicContact CG2-CG1 4.36Å; V81-V113 HydrophobicContact CG2-CG2 3.86Å; V113-S115 VanDerWaalsContact C-N 3.31Å; V113-S115 VanDerWaalsContact CG1-O 3.3Å; V113-S115 WeakPolarHBondContact CG1-O 3.3Å; V113-S115 PolarHBondContact O-N 3.1Å
114	D	84.9	Confident	92.2	Very high	83 Å²	83	48.4 Å²	48.4	44%	0.444	26%	0.256	S	S	.	.			trans	-75.4	-12	-179.7	-53.5	-65.7	0	0	0	115.5	D112 H123 D124	D112-D114 PolarHBondContact O-N 2.89Å; D114-H123 PolarHBondContact N-ND1 2.92Å; D114-H123 WeakPolarHBondContact OD2-CA 3.43Å; D114-D124 PolarHBondContact OD2-N 3.26Å; D114-D124 VanDerWaalsContact OD2-N 3.13Å
115	S	87.9	Confident	92.4	Very high	46 Å²	46	49.8 Å²	49.8	32%	0.322	26%	0.262	S	S	.	.	S	Bend	trans	-155.7	167.6	-172.7	74.9	0	0	0	0	113.4	V113 S117 H123	V113-S115 VanDerWaalsContact C-N 3.31Å; V113-S115 VanDerWaalsContact CG1-O 3.3Å; V113-S115 WeakPolarHBondContact CG1-O 3.3Å; V113-S115 PolarHBondContact O-N 3.1Å; S115-S117 PolarHBondContact O-N 2.87Å; S115-S117 VanDerWaalsContact O-N 3.17Å; S115-S117 WeakPolarHBondContact OG-CB 3.46Å; S115-S117 PolarHBondContact OG-N 3.39Å; S115-H123 PolarHBondContact O-CE1 2.88Å
116	K	85.2	Confident	92.3	Very high	205 Å²	205	47.9 Å²	47.9	89%	0.891	25%	0.251	S	S	*	.	S	Bend	trans	-75.5	4.9	175.4	-59.6	-173.6	178.8	-175.8	0	114.3
117	S	89.3	Confident	92.3	Very high	21 Å²	21	47.8 Å²	47.8	15%	0.147	25%	0.251	C	S	.	.			trans	-76	134.7	-177	172.1	0	0	0	0	110.3	S115 N119 K122 H123	S115-S117 PolarHBondContact O-N 2.87Å; S115-S117 VanDerWaalsContact O-N 3.17Å; S115-S117 WeakPolarHBondContact OG-CB 3.46Å; S115-S117 PolarHBondContact OG-N 3.39Å; S117-N119 PolarHBondContact O-N 2.65Å; S117-N119 PolarHBondContact OG-N 2.85Å; S117-K122 WeakPolarHBondContact OG-CD 3.27Å; S117-K122 PolarHBondContact OG-NZ 2.81Å; S117-H123 PolarHBondContact O-CE1 2.78Å; S117-H123 PolarHBondContact O-NE2 3.45Å
118	P	85.8	Confident	92.3	Very high	93 Å²	93	48.1 Å²	48.1	60%	0.604	25%	0.254	S	S	*	.	S	Bend	trans	-75.7	-8.2	173.5	31.2	-35.7	0	0	0	113.4	R78 L120	R78-P118 PolarHBondContact NH1-O 2.98Å; P118-L120 PolarHBondContact O-N 3.15Å
119	N	90.7	Very high	92.2	Very high	77 Å²	77	48.3 Å²	48.3	41%	0.412	26%	0.255	S	S	.	.			trans	-77.2	113.6	178.8	-179.6	4.5	0	0	0	111.6	S117 S121 K122	S117-N119 PolarHBondContact O-N 2.65Å; S117-N119 PolarHBondContact OG-N 2.85Å; N119-S121 PolarHBondContact ND2-OG 2.87Å; N119-S121 PolarHBondContact O-N 3.39Å; N119-S121 VanDerWaalsContact O-N 3.15Å; N119-S121 WeakPolarHBondContact OD1-CB 3.47Å; N119-S121 PolarHBondContact OD1-N 3.38Å; N119-S121 PolarHBondContact OD1-OG 2.8Å; N119-K122 HydrophobicContact CB-CG 4.48Å; N119-K122 PolarHBondContact O-N 2.86Å; N119-K122 VanDerWaalsContact O-N 3.09Å
120	L	91.3	Very high	92.2	Very high	19 Å²	19	52.3 Å²	52.3	10%	0.099	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-59.1	-23.1	179.4	-62.6	176.6	0	0	0	114.1	V62 Y64 Y111 P118 K122 H123	V62-L120 HydrophobicContact CG1-CD1 4.39Å; V62-L120 HydrophobicContact CG2-CD1 4.09Å; V62-L120 HydrophobicContact CG2-CD2 3.95Å; Y64-L120 VanDerWaalsContact OH-CD1 3.29Å; Y64-L120 WeakPolarHBondContact OH-CD1 3.43Å; Y111-L120 HydrophobicContact CD2-CD2 4.02Å; Y111-L120 HydrophobicContact CE1-CB 4.26Å; Y111-L120 HydrophobicContact CE2-CD1 4.02Å; Y111-L120 HydrophobicContact CE2-CD2 4.12Å; Y111-L120 HydrophobicContact CE2-CG 4.46Å; Y111-L120 HydrophobicContact CG-CD2 4.35Å; P118-L120 PolarHBondContact O-N 3.15Å; L120-K122 PolarHBondContact O-N 3.01Å; L120-K122 VanDerWaalsContact O-N 3.12Å; L120-H123 PolarHBondContact O-N 3.26Å
121	S	91.1	Very high	92.1	Very high	99 Å²	99	52.7 Å²	52.7	69%	0.692	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-69.5	-5.5	176.8	84.5	0	0	0	0	113.7	N119	N119-S121 PolarHBondContact ND2-OG 2.87Å; N119-S121 PolarHBondContact O-N 3.39Å; N119-S121 VanDerWaalsContact O-N 3.15Å; N119-S121 WeakPolarHBondContact OD1-CB 3.47Å; N119-S121 PolarHBondContact OD1-N 3.38Å; N119-S121 PolarHBondContact OD1-OG 2.8Å
122	K	90.5	Very high	92.1	Very high	119 Å²	119	51.5 Å²	51.5	52%	0.517	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-107.9	14.3	178	-55.8	-166.7	-166.8	162.4	0	112.8	S117 N119 L120	S117-K122 WeakPolarHBondContact OG-CD 3.27Å; S117-K122 PolarHBondContact OG-NZ 2.81Å; N119-K122 HydrophobicContact CB-CG 4.48Å; N119-K122 PolarHBondContact O-N 2.86Å; N119-K122 VanDerWaalsContact O-N 3.09Å; L120-K122 PolarHBondContact O-N 3.01Å; L120-K122 VanDerWaalsContact O-N 3.12Å
123	H	92.2	Very high	92.1	Very high	18 Å²	18	51.6 Å²	51.6	8%	0.083	27%	0.271	C	S	.	.	S	Bend	trans	-125.9	146	-178.5	-62.1	-38.4	0	0	0	109	Y111 D112 D114 S115 S117 L120 F125	Y111-H123 HydrophobicContact CD1-CB 4.16Å; Y111-H123 HydrophobicContact CG-CB 4.49Å; D112-H123 WeakPolarHBondContact O-CA 3.29Å; D112-H123 VanDerWaalsContact O-CB 3.25Å; D112-H123 WeakPolarHBondContact O-CB 3.14Å; D114-H123 PolarHBondContact N-ND1 2.92Å; D114-H123 WeakPolarHBondContact OD2-CA 3.43Å; S115-H123 PolarHBondContact O-CE1 2.88Å; S117-H123 PolarHBondContact O-CE1 2.78Å; S117-H123 PolarHBondContact O-NE2 3.45Å; L120-H123 PolarHBondContact O-N 3.26Å; H123-F125 PolarHBondContact O-N 3.46Å
124	D	92.4	Very high	92.1	Very high	67 Å²	67	50.5 Å²	50.5	36%	0.358	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.3	-179.8	-92.6	-1.4	0	0	0	111.3	R51 Y111 D112 D114 L126	R51-D124 HydrophobicContact CG-CB 4.34Å; Y111-D124 CarbonylContact C-O 3.59Å; Y111-D124 VanDerWaalsContact CA-O 3.27Å; Y111-D124 WeakPolarHBondContact CA-O 3.31Å; D112-D124 HydrophobicContact CB-CB 3.99Å; D112-D124 PolarHBondContact N-O 2.86Å; D112-D124 PolarHBondContact O-N 2.77Å; D112-D124 VanDerWaalsContact O-N 3.14Å; D114-D124 PolarHBondContact OD2-N 3.26Å; D114-D124 VanDerWaalsContact OD2-N 3.13Å; D124-L126 PolarHBondContact O-N 3.2Å
125	F	94.9	Very high	92.5	Very high	58 Å²	58	48.4 Å²	48.4	25%	0.254	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.7	178.4	-178.3	-114.9	0	0	0	110.7	D109 Y111 H123 G127 Q128 I151	D109-F125 HydrophobicContact CB-CE2 4.25Å; Y111-F125 HydrophobicContact CD1-CB 4.32Å; Y111-F125 HydrophobicContact CD1-CD2 4.22Å; Y111-F125 HydrophobicContact CE1-CB 4.18Å; Y111-F125 AromaticContact CE1-CD2 3.75Å; Y111-F125 HydrophobicContact CE1-CD2 3.75Å; Y111-F125 HydrophobicContact CE1-CG 4.44Å; Y111-F125 HydrophobicContact CE2-CD2 4.45Å; Y111-F125 AromaticContact CZ-CD2 3.87Å; H123-F125 PolarHBondContact O-N 3.46Å; F125-G127 WeakPolarHBondContact CE2-O 3.3Å; F125-G127 VanDerWaalsContact CZ-CA 3.44Å; F125-G127 WeakPolarHBondContact CZ-O 3.46Å; F125-Q128 HydrophobicContact CE2-CB 4.31Å; F125-Q128 HydrophobicContact CZ-CB 3.83Å; F125-Q128 HydrophobicContact CZ-CG 3.95Å; F125-I151 HydrophobicContact CD1-CD1 4.43Å; F125-I151 HydrophobicContact CD1-CG1 4.12Å; F125-I151 HydrophobicContact CE1-CG1 4.32Å; F125-I151 WeakPolarHBondContact O-CD1 3.27Å
126	L	94	Very high	92.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-22.2	-180	-62.6	-179.1	0	0	0	112.6	L48 L49 R51 P59 L110 D112 D124 I151 C156	L48-L126 HydrophobicContact CD1-CD1 4.31Å; L49-L126 HydrophobicContact CB-CD2 4.42Å; L49-L126 WeakPolarHBondContact O-CD2 3.45Å; R51-L126 HydrophobicContact CB-CD2 4.48Å; R51-L126 HydrophobicContact CG-CD2 3.62Å; P59-L126 HydrophobicContact CB-CD1 4.44Å; L110-L126 HydrophobicContact CB-CB 3.95Å; L110-L126 WeakPolarHBondContact O-CB 3.48Å; L110-L126 PolarHBondContact O-N 2.8Å; D112-L126 HydrophobicContact CB-CD1 4.05Å; D112-L126 HydrophobicContact CB-CD2 3.98Å; D112-L126 HydrophobicContact CB-CG 4.03Å; D124-L126 PolarHBondContact O-N 3.2Å; L126-I151 WeakPolarHBondContact O-CD1 3.45Å; L126-C156 WeakPolarHBondContact O-CB 3.21Å
127	G	95.8	Very high	93.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.6	-177.8	175.9	0	0	0	0	0	112.7	L110 F125 V149	L110-G127 PolarHBondContact N-O 3.41Å; L110-G127 PolarHBondContact O-N 2.6Å; F125-G127 WeakPolarHBondContact CE2-O 3.3Å; F125-G127 VanDerWaalsContact CZ-CA 3.44Å; F125-G127 WeakPolarHBondContact CZ-O 3.46Å; G127-V149 CarbonylContact C-O 3.5Å; G127-V149 WeakPolarHBondContact CA-O 3.5Å
128	Q	97.3	Very high	93	Very high	47 Å²	47	36.6 Å²	36.6	22%	0.22	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.9	-178.1	61.1	-174.8	-11.5	0	0	112	F108 D109 F125 F130 V149	F108-Q128 CarbonylContact O-C 3.55Å; F108-Q128 WeakPolarHBondContact O-CA 3.33Å; D109-Q128 WeakPolarHBondContact OD1-CB 3.38Å; F125-Q128 HydrophobicContact CE2-CB 4.31Å; F125-Q128 HydrophobicContact CZ-CB 3.83Å; F125-Q128 HydrophobicContact CZ-CG 3.95Å; Q128-F130 HydrophobicContact CG-CE2 3.97Å; Q128-V149 PolarHBondContact N-O 3.06Å; Q128-V149 VanDerWaalsContact O-CG2 3.24Å; Q128-V149 WeakPolarHBondContact O-CG2 3.25Å; Q128-V149 PolarHBondContact O-N 3.35Å
129	V	97.7	Very high	93.2	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.3	173.3	174.7	0	0	0	0	110	R107 F108 K146 I148 I159	R107-V129 CarbonylContact C-O 3.56Å; R107-V129 WeakPolarHBondContact CA-O 3.25Å; F108-V129 PolarHBondContact N-O 3.37Å; F108-V129 PolarHBondContact O-N 2.94Å; V129-K146 HydrophobicContact CG1-CB 3.94Å; V129-K146 HydrophobicContact CG1-CD 4.06Å; V129-I148 HydrophobicContact CG2-CB 4.29Å; V129-I148 HydrophobicContact CG2-CG1 3.94Å; V129-I159 HydrophobicContact CB-CG2 4.02Å; V129-I159 HydrophobicContact CG1-CG2 3.92Å; V129-I159 HydrophobicContact CG2-CB 4.36Å; V129-I159 HydrophobicContact CG2-CG2 3.63Å
130	F	96.5	Very high	92.8	Very high	88 Å²	88	36.9 Å²	36.9	39%	0.386	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.9	173.4	-61.1	-94.8	0	0	0	109.6	W73 L106 R107 Q128 K146	W73-F130 HydrophobicContact CH2-CD1 4.1Å; W73-F130 HydrophobicContact CH2-CE1 4.43Å; W73-F130 AromaticContact CZ2-CD1 3.8Å; W73-F130 HydrophobicContact CZ2-CD1 3.8Å; W73-F130 AromaticContact CZ2-CE1 3.78Å; W73-F130 HydrophobicContact CZ2-CE1 3.78Å; L106-F130 WeakPolarHBondContact O-CA 3.35Å; R107-F130 HydrophobicContact CB-CD1 3.96Å; R107-F130 HydrophobicContact CB-CE1 3.99Å; R107-F130 VanDerWaalsContact CD-CZ 3.46Å; R107-F130 HydrophobicContact CG-CD1 3.8Å; R107-F130 HydrophobicContact CG-CE1 3.52Å; R107-F130 HydrophobicContact CG-CE2 4.46Å; R107-F130 HydrophobicContact CG-CG 4.41Å; R107-F130 HydrophobicContact CG-CZ 3.87Å; Q128-F130 HydrophobicContact CG-CE2 3.97Å; F130-K146 PolarHBondContact O-NZ 3.34Å
131	C	96	Very high	92.3	Very high	9 Å²	9	37 Å²	37	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	175.4	172.2	63.5	0	0	0	0	109.7	L106 E135 L144 K146	L106-C131 WeakPolarHBondContact CA-O 3.37Å; L106-C131 PolarHBondContact N-O 2.88Å; L106-C131 PolarHBondContact O-N 3.07Å; L106-C131 VanDerWaalsContact O-N 3.1Å; C131-E135 VanDerWaalsContact CA-OE2 3.26Å; C131-E135 WeakPolarHBondContact CA-OE2 3.34Å; C131-E135 WeakPolarHBondContact CB-OE2 3.43Å; C131-L144 HydrophobicContact CB-CD2 3.9Å; C131-K146 HydrophobicContact CB-CD 4.33Å
132	T	94.8	Very high	92.2	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	161.7	165.8	58.9	0	0	0	0	109.6	R103 E104 G134 E135 I136 D366	R103-T132 HydrophobicContact CG-CG2 3.84Å; E104-T132 CarbonylContact O-C 3.47Å; E104-T132 WeakPolarHBondContact O-CA 3.27Å; T132-G134 VanDerWaalsContact C-N 3.28Å; T132-E135 PolarHBondContact O-N 3.24Å; T132-E135 VanDerWaalsContact OG1-CB 3.26Å; T132-E135 WeakPolarHBondContact OG1-CB 3.42Å; T132-E135 PolarHBondContact OG1-N 2.89Å; T132-I136 PolarHBondContact O-N 2.99Å; T132-D366 PolarHBondContact OG1-OD2 3.11Å
133	L	94.3	Very high	92.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-40.5	168.7	-175.9	55.6	0	0	0	110.6	V39 V41 L96 Y98 E104 L106 E135 I136 V137	V39-L133 HydrophobicContact CG1-CD1 4.45Å; V41-L133 HydrophobicContact CG2-CD1 3.92Å; L96-L133 HydrophobicContact CB-CD2 4.02Å; L96-L133 HydrophobicContact CD1-CD1 4.07Å; L96-L133 HydrophobicContact CD1-CD2 4.31Å; Y98-L133 HydrophobicContact CD2-CD2 3.95Å; Y98-L133 HydrophobicContact CD2-CG 4.06Å; Y98-L133 HydrophobicContact CG-CD2 4.48Å; E104-L133 HydrophobicContact CB-CB 4Å; E104-L133 PolarHBondContact O-N 2.88Å; L106-L133 HydrophobicContact CD1-CB 4.12Å; L106-L133 HydrophobicContact CD1-CD1 4.33Å; L133-E135 VanDerWaalsContact C-N 3.34Å; L133-E135 PolarHBondContact O-N 2.74Å; L133-I136 PolarHBondContact O-N 3.49Å; L133-I136 VanDerWaalsContact O-N 3.09Å; L133-V137 HydrophobicContact CD1-CG1 4.43Å; L133-V137 PolarHBondContact O-N 2.98Å
134	G	92.2	Very high	92.2	Very high	3 Å²	3	30 Å²	30	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-47.4	-49.3	169.5	0	0	0	0	0	113.7	T132 I136 V137 G138	T132-G134 VanDerWaalsContact C-N 3.28Å; G134-I136 VanDerWaalsContact C-N 3.28Å; G134-I136 PolarHBondContact O-N 3.24Å; G134-V137 VanDerWaalsContact O-CG2 3.3Å; G134-V137 WeakPolarHBondContact O-CG2 3.31Å; G134-V137 PolarHBondContact O-N 3Å; G134-G138 WeakPolarHBondContact O-CA 3.42Å; G134-G138 PolarHBondContact O-N 2.92Å
135	E	93.6	Very high	92.2	Very high	39 Å²	39	31.2 Å²	31.2	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-35.1	179.6	-169.5	-175.6	177.9	0	0	112	C131 T132 L133 S139 L144 K146	C131-E135 VanDerWaalsContact CA-OE2 3.26Å; C131-E135 WeakPolarHBondContact CA-OE2 3.34Å; C131-E135 WeakPolarHBondContact CB-OE2 3.43Å; T132-E135 PolarHBondContact O-N 3.24Å; T132-E135 VanDerWaalsContact OG1-CB 3.26Å; T132-E135 WeakPolarHBondContact OG1-CB 3.42Å; T132-E135 PolarHBondContact OG1-N 2.89Å; L133-E135 VanDerWaalsContact C-N 3.34Å; L133-E135 PolarHBondContact O-N 2.74Å; E135-S139 WeakPolarHBondContact O-CB 3.43Å; E135-S139 PolarHBondContact O-N 3.18Å; E135-S139 PolarHBondContact O-OG 3.26Å; E135-L144 HydrophobicContact CB-CD2 4.21Å; E135-L144 HydrophobicContact CG-CD1 4.09Å; E135-L144 HydrophobicContact CG-CD2 3.75Å; E135-K146 VanDerWaalsContact CD-NZ 3.31Å; E135-K146 IonicContact OE1-NZ 3.51Å; E135-K146 PolarHBondContact OE1-NZ 3.4Å; E135-K146 IonicContact OE2-NZ 3.57Å; E135-K146 PolarHBondContact OE2-NZ 2.99Å
136	I	92.9	Very high	92.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-71.7	-49.9	177.5	-54.5	169	0	0	0	110.5	V41 L106 F108 T132 L133 G134 S139 S142 L144 L161 A163	V41-I136 HydrophobicContact CG1-CD1 4.3Å; L106-I136 HydrophobicContact CD1-CD1 3.77Å; F108-I136 HydrophobicContact CZ-CD1 4.46Å; T132-I136 PolarHBondContact O-N 2.99Å; L133-I136 PolarHBondContact O-N 3.49Å; L133-I136 VanDerWaalsContact O-N 3.09Å; G134-I136 VanDerWaalsContact C-N 3.28Å; G134-I136 PolarHBondContact O-N 3.24Å; I136-S139 PolarHBondContact O-N 3.09Å; I136-S142 CarbonylContact O-C 3.56Å; I136-S142 WeakPolarHBondContact O-CA 3.37Å; I136-L144 HydrophobicContact CG1-CB 4.36Å; I136-L144 HydrophobicContact CG1-CD2 3.76Å; I136-L144 HydrophobicContact CG2-CB 4.47Å; I136-L161 HydrophobicContact CD1-CB 4.18Å; I136-L161 HydrophobicContact CD1-CD1 3.87Å; I136-L161 HydrophobicContact CG1-CB 4.27Å; I136-L161 HydrophobicContact CG1-CD1 4.16Å; I136-L161 HydrophobicContact CG2-CB 4.18Å; I136-A163 HydrophobicContact CG2-CB 3.65Å
137	V	91	Very high	92.4	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-70.5	-34.3	-176.3	-60.8	0	0	0	0	112.4	V39 Y98 L133 G134 S142 A163 L312 Y367	V39-V137 HydrophobicContact CG1-CG1 4.33Å; V39-V137 HydrophobicContact CG2-CG1 4.38Å; Y98-V137 HydrophobicContact CD2-CG2 4.43Å; Y98-V137 HydrophobicContact CE2-CG2 3.68Å; L133-V137 HydrophobicContact CD1-CG1 4.43Å; L133-V137 PolarHBondContact O-N 2.98Å; G134-V137 VanDerWaalsContact O-CG2 3.3Å; G134-V137 WeakPolarHBondContact O-CG2 3.31Å; G134-V137 PolarHBondContact O-N 3Å; V137-S142 PolarHBondContact O-OG 3Å; V137-A163 HydrophobicContact CG1-CB 3.79Å; V137-L312 HydrophobicContact CB-CD2 4.13Å; V137-L312 HydrophobicContact CG2-CD2 4.11Å; V137-Y367 HydrophobicContact CG2-CE1 4.04Å
138	G	89.1	Confident	92.4	Very high	21 Å²	21	35.4 Å²	35.4	22%	0.216	19%	0.187	C	C	.	.	H	α-helix	trans	-77.2	-18.9	178.8	0	0	0	0	0	114.2	G134	G134-G138 WeakPolarHBondContact O-CA 3.42Å; G134-G138 PolarHBondContact O-N 2.92Å
139	S	88.2	Confident	92.3	Very high	26 Å²	26	36.8 Å²	36.8	18%	0.182	20%	0.198	C	C	.	.	S	Bend	trans	-64.7	149.9	173.1	-70.6	0	0	0	0	111.6	E135 I136 G141 S142 R143	E135-S139 WeakPolarHBondContact O-CB 3.43Å; E135-S139 PolarHBondContact O-N 3.18Å; E135-S139 PolarHBondContact O-OG 3.26Å; I136-S139 PolarHBondContact O-N 3.09Å; S139-G141 PolarHBondContact O-N 3.39Å; S139-S142 VanDerWaalsContact O-CA 3.27Å; S139-S142 WeakPolarHBondContact O-CA 3.38Å; S139-S142 PolarHBondContact O-N 3.05Å; S139-R143 WeakPolarHBondContact CB-O 3.47Å
140	Q	83.1	Confident	91.9	Very high	150 Å²	150	38.6 Å²	38.6	70%	0.701	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-55.1	126.5	-179.8	-173.6	177.5	17.8	0	0	111.6	S142 R143 P563	Q140-S142 PolarHBondContact O-N 3.29Å; Q140-R143 PolarHBondContact O-N 3.32Å; Q140-P563 HydrophobicContact CG-CG 3.95Å
141	G	81.6	Confident	91.6	Very high	21 Å²	21	35.7 Å²	35.7	22%	0.216	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	67.6	14.7	-175.9	0	0	0	0	0	114.2	S139 R143	S139-G141 PolarHBondContact O-N 3.39Å; G141-R143 PolarHBondContact O-N 3.17Å
142	S	88	Confident	91.2	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.049	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	55.5	36.9	-172.3	-51.9	0	0	0	0	112.4	I136 V137 S139 Q140 T162 A163	I136-S142 CarbonylContact O-C 3.56Å; I136-S142 WeakPolarHBondContact O-CA 3.37Å; V137-S142 PolarHBondContact O-OG 3Å; S139-S142 VanDerWaalsContact O-CA 3.27Å; S139-S142 WeakPolarHBondContact O-CA 3.38Å; S139-S142 PolarHBondContact O-N 3.05Å; Q140-S142 PolarHBondContact O-N 3.29Å; S142-T162 CarbonylContact O-C 3.58Å; S142-T162 VanDerWaalsContact O-CA 3.28Å; S142-T162 WeakPolarHBondContact O-CA 3.49Å; S142-A163 VanDerWaalsContact CB-O 3.31Å; S142-A163 WeakPolarHBondContact CB-O 3.24Å; S142-A163 PolarHBondContact O-N 3.18Å
143	R	89.7	Confident	90.9	Very high	67 Å²	67	45.3 Å²	45.3	25%	0.253	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.6	-179.5	178.2	179.9	-178.9	-73.2	0.1	110.2	S139 Q140 G141 E145 I160 L161 T162	S139-R143 WeakPolarHBondContact CB-O 3.47Å; Q140-R143 PolarHBondContact O-N 3.32Å; G141-R143 PolarHBondContact O-N 3.17Å; R143-E145 IonicContact CZ-OE2 3.4Å; R143-E145 VanDerWaalsContact CZ-OE2 3.3Å; R143-E145 IonicContact NH1-OE2 2.67Å; R143-E145 PolarHBondContact NH1-OE2 3.34Å; R143-E145 IonicContact NH2-OE2 3.74Å; R143-E145 PolarHBondContact NH2-OE2 3.34Å; R143-I160 HydrophobicContact CG-CG2 4.11Å; R143-L161 CarbonylContact C-O 3.51Å; R143-L161 WeakPolarHBondContact CA-O 3.34Å; R143-T162 HydrophobicContact CB-CG2 4Å; R143-T162 HydrophobicContact CG-CG2 3.85Å
144	L	92.4	Very high	90.6	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.8	176.8	178	62.6	0	0	0	110.2	C131 E135 I136 K146 I160 L161	C131-L144 HydrophobicContact CB-CD2 3.9Å; E135-L144 HydrophobicContact CB-CD2 4.21Å; E135-L144 HydrophobicContact CG-CD1 4.09Å; E135-L144 HydrophobicContact CG-CD2 3.75Å; I136-L144 HydrophobicContact CG1-CB 4.36Å; I136-L144 HydrophobicContact CG1-CD2 3.76Å; I136-L144 HydrophobicContact CG2-CB 4.47Å; L144-K146 HydrophobicContact CD1-CD 4.1Å; L144-K146 HydrophobicContact CD1-CG 3.98Å; L144-K146 HydrophobicContact CD2-CD 3.87Å; L144-K146 HydrophobicContact CD2-CG 4.41Å; L144-K146 HydrophobicContact CG-CD 4.03Å; L144-K146 HydrophobicContact CG-CG 4.01Å; L144-I160 WeakPolarHBondContact O-CA 3.32Å; L144-L161 HydrophobicContact CB-CB 4.43Å; L144-L161 HydrophobicContact CD2-CD1 4.47Å; L144-L161 PolarHBondContact N-O 2.95Å; L144-L161 PolarHBondContact O-N 3.31Å
145	E	94.3	Very high	90.5	Very high	93 Å²	93	62.6 Å²	62.6	44%	0.435	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.7	177	-172	166.6	-178.8	0	0	109.4	R143 T158 I159 I160	R143-E145 IonicContact CZ-OE2 3.4Å; R143-E145 VanDerWaalsContact CZ-OE2 3.3Å; R143-E145 IonicContact NH1-OE2 2.67Å; R143-E145 PolarHBondContact NH1-OE2 3.34Å; R143-E145 IonicContact NH2-OE2 3.74Å; R143-E145 PolarHBondContact NH2-OE2 3.34Å; E145-T158 HydrophobicContact CG-CG2 3.33Å; E145-I159 WeakPolarHBondContact CA-O 3.14Å; E145-I160 HydrophobicContact CG-CG1 3.97Å
146	K	95.6	Very high	90.4	Very high	48 Å²	48	60.8 Å²	60.8	21%	0.209	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.1	-175.5	-70.7	-177.1	88.8	158.6	0	112.2	V129 F130 C131 E135 L144 T158 I159	V129-K146 HydrophobicContact CG1-CB 3.94Å; V129-K146 HydrophobicContact CG1-CD 4.06Å; F130-K146 PolarHBondContact O-NZ 3.34Å; C131-K146 HydrophobicContact CB-CD 4.33Å; E135-K146 VanDerWaalsContact CD-NZ 3.31Å; E135-K146 IonicContact OE1-NZ 3.51Å; E135-K146 PolarHBondContact OE1-NZ 3.4Å; E135-K146 IonicContact OE2-NZ 3.57Å; E135-K146 PolarHBondContact OE2-NZ 2.99Å; L144-K146 HydrophobicContact CD1-CD 4.1Å; L144-K146 HydrophobicContact CD1-CG 3.98Å; L144-K146 HydrophobicContact CD2-CD 3.87Å; L144-K146 HydrophobicContact CD2-CG 4.41Å; L144-K146 HydrophobicContact CG-CD 4.03Å; L144-K146 HydrophobicContact CG-CG 4.01Å; K146-T158 WeakPolarHBondContact O-CA 3.4Å; K146-T158 WeakPolarHBondContact O-CG2 3.43Å; K146-I159 HydrophobicContact CB-CG2 4.17Å; K146-I159 PolarHBondContact N-O 3.03Å; K146-I159 PolarHBondContact O-N 2.75Å
147	P	96.6	Very high	90.5	Very high	91 Å²	91	61.5 Å²	61.5	59%	0.591	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	138.9	172.3	28.8	-34.1	0	0	0	110.2
148	I	96.4	Very high	90.7	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.041	36%	0.363	C	S	.	.			trans	-78.8	132.4	174.4	-60.7	169	0	0	0	108.6	L48 L110 V129 C156 G157 I159	L48-I148 HydrophobicContact CD2-CD1 3.4Å; L48-I148 VanDerWaalsContact CD2-CD1 3.4Å; L110-I148 HydrophobicContact CG-CD1 4.49Å; V129-I148 HydrophobicContact CG2-CB 4.29Å; V129-I148 HydrophobicContact CG2-CG1 3.94Å; I148-C156 HydrophobicContact CB-CB 3.8Å; I148-C156 HydrophobicContact CG2-CB 3.59Å; I148-C156 WeakPolarHBondContact O-CB 3.05Å; I148-G157 PolarHBondContact N-O 3.48Å; I148-I159 HydrophobicContact CD1-CB 4.36Å; I148-I159 HydrophobicContact CG1-CB 4.12Å
149	V	94.6	Very high	91	Very high	76 Å²	76	62.2 Å²	62.2	46%	0.461	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-122.7	-175.1	-177	-60.7	0	0	0	0	111.3	G127 Q128	G127-V149 CarbonylContact C-O 3.5Å; G127-V149 WeakPolarHBondContact CA-O 3.5Å; Q128-V149 PolarHBondContact N-O 3.06Å; Q128-V149 VanDerWaalsContact O-CG2 3.24Å; Q128-V149 WeakPolarHBondContact O-CG2 3.25Å; Q128-V149 PolarHBondContact O-N 3.35Å
150	G	88.2	Confident	91.3	Very high	41 Å²	41	61.6 Å²	61.6	42%	0.423	35%	0.347	S	S	.	.	S	Bend	trans	105.5	-10.1	173.8	0	0	0	0	0	115.2
151	I	90.4	Very high	91.8	Very high	27 Å²	27	54.5 Å²	54.5	14%	0.138	31%	0.314	C	S	.	.	S	Bend	trans	-118	107.1	173.3	-53.1	171.3	0	0	0	108.9	L49 F125 L126 G153 R154	L49-I151 HydrophobicContact CD2-CD1 3.7Å; F125-I151 HydrophobicContact CD1-CD1 4.43Å; F125-I151 HydrophobicContact CD1-CG1 4.12Å; F125-I151 HydrophobicContact CE1-CG1 4.32Å; F125-I151 WeakPolarHBondContact O-CD1 3.27Å; L126-I151 WeakPolarHBondContact O-CD1 3.45Å; I151-G153 PolarHBondContact O-N 3.44Å; I151-R154 HydrophobicContact CB-CB 4.21Å; I151-R154 HydrophobicContact CG2-CB 3.85Å; I151-R154 HydrophobicContact CG2-CG 3.66Å; I151-R154 PolarHBondContact O-N 3.31Å
152	P	88.6	Confident	92.1	Very high	126 Å²	126	55.4 Å²	55.4	82%	0.818	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	130.7	-177.1	-26.9	35	0	0	0	112.9	R154	P152-R154 VanDerWaalsContact C-N 3.26Å; P152-R154 PolarHBondContact O-N 3.09Å
153	G	87.3	Confident	92.2	Very high	90 Å²	90	55.3 Å²	55.3	93%	0.928	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	7.5	175.5	0	0	0	0	0	115.7	I151	I151-G153 PolarHBondContact O-N 3.44Å
154	R	88.6	Confident	92	Very high	167 Å²	167	57 Å²	57	63%	0.63	33%	0.326	S	S	*	.			trans	-116.2	140.8	178.7	-63.2	-67.4	-172.1	165.4	2.3	111.2	I151 P152	I151-R154 HydrophobicContact CB-CB 4.21Å; I151-R154 HydrophobicContact CG2-CB 3.85Å; I151-R154 HydrophobicContact CG2-CG 3.66Å; I151-R154 PolarHBondContact O-N 3.31Å; P152-R154 VanDerWaalsContact C-N 3.26Å; P152-R154 PolarHBondContact O-N 3.09Å
155	K	89.6	Confident	91.6	Very high	199 Å²	199	57.9 Å²	57.9	87%	0.865	33%	0.33	S	S	*	.			trans	-82.2	117.4	166.2	-67.5	-174.4	179.3	-175.8	0	107.7
156	C	93.1	Very high	90.5	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	32%	0.322	C	S	.	.			trans	-100.6	5.7	-172.6	-55.6	0	0	0	0	113.4	L126 I148	L126-C156 WeakPolarHBondContact O-CB 3.21Å; I148-C156 HydrophobicContact CB-CB 3.8Å; I148-C156 HydrophobicContact CG2-CB 3.59Å; I148-C156 WeakPolarHBondContact O-CB 3.05Å
157	G	93.9	Very high	89	Confident	14 Å²	14	56.6 Å²	56.6	14%	0.144	33%	0.328	C	S	.	.			trans	89.6	-164.2	-173.6	0	0	0	0	0	113	R46 N47 I148	R46-G157 CarbonylContact O-C 3.58Å; R46-G157 VanDerWaalsContact O-CA 3.27Å; R46-G157 WeakPolarHBondContact O-CA 3.36Å; N47-G157 WeakPolarHBondContact O-CA 3.47Å; N47-G157 PolarHBondContact O-N 2.62Å; I148-G157 PolarHBondContact N-O 3.48Å
158	T	95.3	Very high	86.9	Confident	38 Å²	38	56.2 Å²	56.2	23%	0.233	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.3	-177	-55.8	0	0	0	0	109.1	C45 R46 E145 K146	C45-T158 CarbonylContact C-O 3.45Å; C45-T158 VanDerWaalsContact CA-O 3.26Å; C45-T158 WeakPolarHBondContact CA-O 3.33Å; R46-T158 PolarHBondContact N-O 2.91Å; R46-T158 PolarHBondContact O-N 2.88Å; E145-T158 HydrophobicContact CG-CG2 3.33Å; K146-T158 WeakPolarHBondContact O-CA 3.4Å; K146-T158 WeakPolarHBondContact O-CG2 3.43Å
159	I	95.8	Very high	85.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.8	168.7	-162.3	171.1	0	0	0	109.2	V43 F108 L110 V129 E145 K146 I148 L161	V43-I159 HydrophobicContact CG1-CD1 3.79Å; V43-I159 HydrophobicContact CG1-CG1 3.91Å; F108-I159 HydrophobicContact CB-CD1 3.8Å; F108-I159 HydrophobicContact CD1-CD1 4.3Å; F108-I159 HydrophobicContact CG-CD1 4.03Å; L110-I159 HydrophobicContact CD2-CD1 4.38Å; V129-I159 HydrophobicContact CB-CG2 4.02Å; V129-I159 HydrophobicContact CG1-CG2 3.92Å; V129-I159 HydrophobicContact CG2-CB 4.36Å; V129-I159 HydrophobicContact CG2-CG2 3.63Å; E145-I159 WeakPolarHBondContact CA-O 3.14Å; K146-I159 HydrophobicContact CB-CG2 4.17Å; K146-I159 PolarHBondContact N-O 3.03Å; K146-I159 PolarHBondContact O-N 2.75Å; I148-I159 HydrophobicContact CD1-CB 4.36Å; I148-I159 HydrophobicContact CG1-CB 4.12Å; I159-L161 HydrophobicContact CD1-CD2 3.73Å; I159-L161 HydrophobicContact CD1-CG 4.29Å; I159-L161 HydrophobicContact CG1-CD2 3.93Å; I159-L161 HydrophobicContact CG1-CG 4.23Å; I159-L161 HydrophobicContact CG2-CG 4.47Å
160	I	93.5	Very high	84.1	Confident	13 Å²	13	56.4 Å²	56.4	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.8	172.7	-58	162	0	0	0	106.4	S44 R46 R143 L144 E145 T162	S44-I160 PolarHBondContact N-O 3.3Å; S44-I160 PolarHBondContact O-N 2.87Å; S44-I160 WeakPolarHBondContact OG-CB 3.43Å; R46-I160 HydrophobicContact CG-CD1 3.77Å; R143-I160 HydrophobicContact CG-CG2 4.11Å; L144-I160 WeakPolarHBondContact O-CA 3.32Å; E145-I160 HydrophobicContact CG-CG1 3.97Å; I160-T162 HydrophobicContact CG2-CG2 4.49Å
161	L	93.8	Very high	83.8	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.5	179.5	-59.6	174.1	0	0	0	108.1	S42 V43 F108 I136 R143 L144 I159	S42-L161 WeakPolarHBondContact O-CA 3.35Å; V43-L161 HydrophobicContact CB-CD2 4.28Å; V43-L161 HydrophobicContact CG1-CD2 4.07Å; V43-L161 HydrophobicContact CG2-CD2 3.76Å; F108-L161 HydrophobicContact CD1-CD2 4.1Å; F108-L161 HydrophobicContact CD2-CD1 4.01Å; F108-L161 HydrophobicContact CD2-CD2 4.48Å; F108-L161 HydrophobicContact CE1-CD2 3.74Å; F108-L161 HydrophobicContact CE2-CD1 3.58Å; F108-L161 HydrophobicContact CE2-CD2 4.18Å; F108-L161 HydrophobicContact CG-CD2 4.45Å; F108-L161 HydrophobicContact CZ-CD1 3.92Å; F108-L161 HydrophobicContact CZ-CD2 3.79Å; I136-L161 HydrophobicContact CD1-CB 4.18Å; I136-L161 HydrophobicContact CD1-CD1 3.87Å; I136-L161 HydrophobicContact CG1-CB 4.27Å; I136-L161 HydrophobicContact CG1-CD1 4.16Å; I136-L161 HydrophobicContact CG2-CB 4.18Å; R143-L161 CarbonylContact C-O 3.51Å; R143-L161 WeakPolarHBondContact CA-O 3.34Å; L144-L161 HydrophobicContact CB-CB 4.43Å; L144-L161 HydrophobicContact CD2-CD1 4.47Å; L144-L161 PolarHBondContact N-O 2.95Å; L144-L161 PolarHBondContact O-N 3.31Å; I159-L161 HydrophobicContact CD1-CD2 3.73Å; I159-L161 HydrophobicContact CD1-CG 4.29Å; I159-L161 HydrophobicContact CG1-CD2 3.93Å; I159-L161 HydrophobicContact CG1-CG 4.23Å; I159-L161 HydrophobicContact CG2-CG 4.47Å
162	T	88.8	Confident	83.7	Confident	40 Å²	40	55 Å²	55	25%	0.245	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.2	172.6	64	0	0	0	0	110.8	V41 S42 S142 R143 I160	V41-T162 CarbonylContact C-O 3.53Å; V41-T162 WeakPolarHBondContact CA-O 3.42Å; S42-T162 VanDerWaalsContact CB-OG1 3.28Å; S42-T162 WeakPolarHBondContact CB-OG1 3.4Å; S42-T162 PolarHBondContact N-O 2.85Å; S42-T162 PolarHBondContact O-N 3.06Å; S142-T162 CarbonylContact O-C 3.58Å; S142-T162 VanDerWaalsContact O-CA 3.28Å; S142-T162 WeakPolarHBondContact O-CA 3.49Å; R143-T162 HydrophobicContact CB-CG2 4Å; R143-T162 HydrophobicContact CG-CG2 3.85Å; I160-T162 HydrophobicContact CG2-CG2 4.49Å
163	A	89.7	Confident	83.8	Confident	5 Å²	5	49 Å²	49	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.9	178.5	0	0	0	0	0	111.3	V39 E40 I136 V137 S142	V39-A163 HydrophobicContact CG1-CB 3.5Å; E40-A163 CarbonylContact O-C 3.46Å; E40-A163 WeakPolarHBondContact O-CA 3.26Å; I136-A163 HydrophobicContact CG2-CB 3.65Å; V137-A163 HydrophobicContact CG1-CB 3.79Å; S142-A163 VanDerWaalsContact CB-O 3.31Å; S142-A163 WeakPolarHBondContact CB-O 3.24Å; S142-A163 PolarHBondContact O-N 3.18Å
164	E	84.7	Confident	84	Confident	103 Å²	103	47.1 Å²	47.1	48%	0.481	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.3	173	-64	-167.2	170.1	0	0	110.4	V39 E40 L166	V39-E164 CarbonylContact C-O 3.58Å; V39-E164 WeakPolarHBondContact CA-O 3.36Å; E40-E164 PolarHBondContact N-O 3.22Å; E40-E164 PolarHBondContact O-N 2.9Å; E164-L166 PolarHBondContact O-N 2.84Å
165	E	84.3	Confident	84.4	Confident	33 Å²	33	39.1 Å²	39.1	15%	0.154	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.3	178.5	-167.3	-171.6	167.9	0	0	110.7	T37 R38 N167 R170 S310 L312	T37-E165 VanDerWaalsContact CB-OE1 3.32Å; T37-E165 WeakPolarHBondContact CB-OE1 3.17Å; T37-E165 HydrophobicContact CG2-CG 3.66Å; T37-E165 WeakPolarHBondContact OG1-CG 3.05Å; T37-E165 PolarHBondContact OG1-OE1 3.03Å; R38-E165 CarbonylContact O-C 3.52Å; E165-N167 HydrophobicContact CG-CB 4.38Å; E165-N167 PolarHBondContact O-N 2.83Å; E165-N167 PolarHBondContact OE1-ND2 3Å; E165-R170 IonicContact OE2-CZ 2.56Å; E165-R170 IonicContact OE2-NE 3.86Å; E165-R170 IonicContact OE2-NH2 2.67Å; E165-R170 PolarHBondContact OE2-NH2 2.96Å; E165-S310 WeakPolarHBondContact OE2-CB 3.37Å; E165-S310 PolarHBondContact OE2-OG 3.42Å; E165-L312 HydrophobicContact CG-CD1 4.47Å
166	L	72.7	Confident	84.7	Confident	52 Å²	52	32.3 Å²	32.3	27%	0.272	18%	0.175	S	C	.	.			trans	-82.6	68.9	177	-71.5	172.2	0	0	0	110.7	R38 E40 I95 E164	R38-L166 HydrophobicContact CB-CB 4.05Å; R38-L166 HydrophobicContact CB-CD1 4.38Å; R38-L166 PolarHBondContact O-N 3.34Å; E40-L166 HydrophobicContact CB-CD1 3.88Å; E40-L166 HydrophobicContact CB-CD2 3.85Å; E40-L166 HydrophobicContact CB-CG 3.73Å; I95-L166 HydrophobicContact CB-CD1 4.1Å; I95-L166 HydrophobicContact CD1-CD1 3.94Å; I95-L166 HydrophobicContact CG1-CD1 3.76Å; I95-L166 HydrophobicContact CG2-CD1 3.5Å; I95-L166 VanDerWaalsContact CG2-CD1 3.5Å; E164-L166 PolarHBondContact O-N 2.84Å
167	N	64.1	Low	84.9	Confident	63 Å²	63	32.2 Å²	32.2	34%	0.337	17%	0.174	S	C	.	.			trans	-97.3	98.2	174.7	-128.2	-23.4	0	0	0	109	E165 C169 R170	E165-N167 HydrophobicContact CG-CB 4.38Å; E165-N167 PolarHBondContact O-N 2.83Å; E165-N167 PolarHBondContact OE1-ND2 3Å; N167-C169 PolarHBondContact O-N 2.85Å; N167-R170 HydrophobicContact CB-CG 3.65Å
168	C	52.3	Low	85.1	Confident	82 Å²	82	32.7 Å²	32.7	55%	0.554	18%	0.175	S	C	*	.	S	Bend	trans	-64.5	-12.9	-168.8	2.9	0	0	0	0	113.7
169	C	59.1	Low	85.2	Confident	20 Å²	20	31.1 Å²	31.1	14%	0.135	17%	0.166	C	C	.	.			trans	-165.3	109.3	161	-159.5	0	0	0	0	108.8	N167 V230	N167-C169 PolarHBondContact O-N 2.85Å; C169-V230 HydrophobicContact CB-CB 4.38Å; C169-V230 HydrophobicContact CB-CG1 4.42Å; C169-V230 WeakPolarHBondContact SG-CB 3.43Å; C169-V230 WeakPolarHBondContact SG-CG1 3.23Å
170	R	71.4	Confident	85.3	Confident	69 Å²	69	34.6 Å²	34.6	26%	0.26	18%	0.184	S	C	.	.			trans	-77.5	-11.8	176.2	-68.9	-172.2	174.8	176.1	-11.5	113.1	E165 N167 T307 E308 D313	E165-R170 IonicContact OE2-CZ 2.56Å; E165-R170 IonicContact OE2-NE 3.86Å; E165-R170 IonicContact OE2-NH2 2.67Å; E165-R170 PolarHBondContact OE2-NH2 2.96Å; N167-R170 HydrophobicContact CB-CG 3.65Å; R170-T307 HydrophobicContact CB-CG2 3.83Å; R170-E308 VanDerWaalsContact O-CB 3.29Å; R170-E308 WeakPolarHBondContact O-CB 3.49Å; R170-E308 WeakPolarHBondContact O-CG 3.44Å; R170-E308 PolarHBondContact O-N 2.74Å; R170-D313 IonicContact CZ-OD1 3.95Å; R170-D313 IonicContact CZ-OD2 3.57Å; R170-D313 IonicContact NH1-OD1 3.64Å; R170-D313 PolarHBondContact NH1-OD1 3.48Å; R170-D313 IonicContact NH1-OD2 2.75Å; R170-D313 PolarHBondContact NH1-OD2 3.32Å; R170-D313 VanDerWaalsContact NH1-OD2 3.08Å; R170-D313 IonicContact NH2-OD1 2.83Å; R170-D313 PolarHBondContact NH2-OD1 3.36Å; R170-D313 IonicContact NH2-OD2 3.49Å
171	D	83.5	Confident	85.4	Confident	37 Å²	37	41.2 Å²	41.2	20%	0.198	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	141.4	-176.4	-66.4	-24.1	0	0	0	110.5	V230 V305 T307	D171-V230 HydrophobicContact CB-CB 4.38Å; D171-V230 HydrophobicContact CB-CG2 3.74Å; D171-V230 VanDerWaalsContact O-CB 3.26Å; D171-V230 WeakPolarHBondContact O-CB 3.45Å; D171-V230 VanDerWaalsContact O-CG2 3.22Å; D171-V230 WeakPolarHBondContact O-CG2 3.48Å; D171-V230 PolarHBondContact O-N 3.33Å; D171-V305 HydrophobicContact CB-CG1 3.85Å; D171-T307 WeakPolarHBondContact OD1-CA 3.2Å; D171-T307 WeakPolarHBondContact OD1-CB 3.24Å; D171-T307 PolarHBondContact OD1-OG1 2.67Å
172	A	87	Confident	85.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.8	165.9	0	0	0	0	0	108.8	K227 I228 E306 E308	A172-K227 HydrophobicContact CB-CD 4.24Å; A172-K227 HydrophobicContact CB-CG 4.02Å; A172-I228 WeakPolarHBondContact CA-O 3.27Å; A172-E306 PolarHBondContact N-O 3.48Å; A172-E306 PolarHBondContact O-N 2.73Å; A172-E308 HydrophobicContact CB-CG 3.88Å
173	V	90.7	Very high	85.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.4	-178.9	-69.2	0	0	0	0	109.6	M175 K227 I228 V230 L233 Y265 F303 L304 V305	V173-M175 HydrophobicContact CB-CG 4.11Å; V173-M175 HydrophobicContact CB-SD 4.36Å; V173-M175 HydrophobicContact CG2-CE 3.74Å; V173-M175 HydrophobicContact CG2-CG 4.21Å; V173-M175 HydrophobicContact CG2-SD 3.97Å; V173-K227 WeakPolarHBondContact O-CA 3.33Å; V173-I228 HydrophobicContact CG2-CB 4.37Å; V173-I228 WeakPolarHBondContact CG2-O 3.48Å; V173-I228 PolarHBondContact N-O 3.27Å; V173-I228 PolarHBondContact O-N 2.77Å; V173-V230 HydrophobicContact CG1-CG2 4.1Å; V173-L233 HydrophobicContact CG2-CD2 3.65Å; V173-Y265 HydrophobicContact CG1-CD2 4.21Å; V173-Y265 HydrophobicContact CG1-CE2 3.53Å; V173-F303 HydrophobicContact CB-CE2 3.94Å; V173-F303 HydrophobicContact CB-CZ 4.02Å; V173-F303 HydrophobicContact CG1-CE1 3.82Å; V173-F303 HydrophobicContact CG1-CE2 3.71Å; V173-F303 HydrophobicContact CG1-CZ 3.27Å; V173-F303 HydrophobicContact CG2-CE2 4.39Å; V173-L304 WeakPolarHBondContact CA-O 3.3Å; V173-V305 HydrophobicContact CG1-CG2 4.39Å
174	L	93.1	Very high	86	Confident	51 Å²	51	46.7 Å²	46.7	27%	0.267	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.2	166	-178.8	70.4	0	0	0	107.7	A225 F226 K227 L304	L174-A225 HydrophobicContact CD1-CB 4.1Å; L174-F226 WeakPolarHBondContact CA-O 3.44Å; L174-K227 HydrophobicContact CD1-CB 4.48Å; L174-L304 HydrophobicContact CB-CB 4.3Å; L174-L304 HydrophobicContact CD2-CD2 4.37Å; L174-L304 PolarHBondContact N-O 3.12Å; L174-L304 PolarHBondContact O-N 2.86Å
175	M	95.1	Very high	86.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147	-175.9	-60.7	-176.8	-66.9	0	0	111.3	V173 F177 A225 F226 I228 L233 L268 L300 S302 F303	V173-M175 HydrophobicContact CB-CG 4.11Å; V173-M175 HydrophobicContact CB-SD 4.36Å; V173-M175 HydrophobicContact CG2-CE 3.74Å; V173-M175 HydrophobicContact CG2-CG 4.21Å; V173-M175 HydrophobicContact CG2-SD 3.97Å; M175-F177 HydrophobicContact CB-CD2 4.35Å; M175-F177 HydrophobicContact CB-CE2 3.86Å; M175-F177 HydrophobicContact CE-CE2 4.39Å; M175-F177 HydrophobicContact SD-CE2 4.14Å; M175-F177 HydrophobicContact SD-CZ 4.44Å; M175-A225 CarbonylContact O-C 3.59Å; M175-A225 VanDerWaalsContact O-CA 3.3Å; M175-A225 WeakPolarHBondContact O-CA 3.4Å; M175-F226 HydrophobicContact CB-CE2 4.38Å; M175-F226 HydrophobicContact CB-CZ 4.33Å; M175-F226 HydrophobicContact CE-CE2 3.79Å; M175-F226 HydrophobicContact CE-CZ 4.31Å; M175-F226 PolarHBondContact N-O 3.43Å; M175-F226 PolarHBondContact O-N 2.89Å; M175-I228 HydrophobicContact CE-CD1 3.95Å; M175-I228 HydrophobicContact CE-CG1 4.36Å; M175-L233 HydrophobicContact CE-CD2 4.34Å; M175-L268 HydrophobicContact SD-CD1 4.11Å; M175-L300 HydrophobicContact CB-CD1 4.18Å; M175-L300 HydrophobicContact CG-CD1 4.38Å; M175-L300 HydrophobicContact SD-CD1 4.46Å; M175-S302 VanDerWaalsContact CA-O 3.27Å; M175-S302 WeakPolarHBondContact CA-O 3.36Å; M175-F303 HydrophobicContact CG-CD2 3.64Å; M175-F303 HydrophobicContact CG-CE2 4.11Å; M175-F303 HydrophobicContact CG-CG 4.49Å; M175-F303 HydrophobicContact SD-CD2 3.61Å; M175-F303 HydrophobicContact SD-CE2 3.65Å
176	Q	97	Very high	86.3	Confident	55 Å²	55	44.3 Å²	44.3	26%	0.257	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.3	169	-168.2	176.8	23.3	0	0	109.3	W223 A225 L301 S302	Q176-W223 VanDerWaalsContact CG-O 3.31Å; Q176-W223 WeakPolarHBondContact CG-O 3.35Å; Q176-W223 PolarHBondContact NE2-O 2.71Å; Q176-A225 HydrophobicContact CB-CB 4.15Å; Q176-A225 HydrophobicContact CG-CB 4.47Å; Q176-L301 HydrophobicContact CB-CB 4.18Å; Q176-L301 HydrophobicContact CG-CB 4.35Å; Q176-L301 HydrophobicContact CG-CD1 4.29Å; Q176-L301 WeakPolarHBondContact O-CA 3.45Å; Q176-L301 WeakPolarHBondContact O-CB 3.31Å; Q176-L301 PolarHBondContact O-N 3.24Å; Q176-S302 VanDerWaalsContact CB-OG 3.25Å; Q176-S302 WeakPolarHBondContact CB-OG 3.44Å; Q176-S302 PolarHBondContact N-O 3.16Å; Q176-S302 PolarHBondContact N-OG 3.36Å; Q176-S302 PolarHBondContact O-N 3.44Å
177	F	97.6	Very high	86.6	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.2	178.3	-73.1	-95.8	0	0	0	110.9	M175 L195 F197 W223 F226 L268 Y278 V298 T299 L300	M175-F177 HydrophobicContact CB-CD2 4.35Å; M175-F177 HydrophobicContact CB-CE2 3.86Å; M175-F177 HydrophobicContact CE-CE2 4.39Å; M175-F177 HydrophobicContact SD-CE2 4.14Å; M175-F177 HydrophobicContact SD-CZ 4.44Å; F177-L195 HydrophobicContact CB-CD1 4.05Å; F177-L195 HydrophobicContact CG-CD1 4.31Å; F177-F197 HydrophobicContact CD2-CZ 4.04Å; F177-F197 HydrophobicContact CE2-CE1 4.02Å; F177-F197 AromaticContact CE2-CZ 3.65Å; F177-F197 HydrophobicContact CE2-CZ 3.65Å; F177-F197 HydrophobicContact CZ-CE1 4.05Å; F177-F197 AromaticContact CZ-CZ 3.99Å; F177-F197 HydrophobicContact CZ-CZ 3.99Å; F177-W223 HydrophobicContact CB-CE3 3.94Å; F177-W223 HydrophobicContact CB-CZ3 4.35Å; F177-W223 PolarHBondContact O-N 2.74Å; F177-F226 AromaticContact CD2-CE1 3.84Å; F177-F226 HydrophobicContact CD2-CE1 3.84Å; F177-F226 AromaticContact CD2-CZ 3.71Å; F177-F226 HydrophobicContact CD2-CZ 3.71Å; F177-F226 HydrophobicContact CE2-CE1 4.39Å; F177-F226 AromaticContact CE2-CZ 3.8Å; F177-F226 HydrophobicContact CE2-CZ 3.8Å; F177-L268 HydrophobicContact CE1-CD2 4.42Å; F177-L268 HydrophobicContact CZ-CD2 3.95Å; F177-Y278 HydrophobicContact CE1-CE2 4.43Å; F177-V298 HydrophobicContact CB-CG1 4.46Å; F177-V298 HydrophobicContact CD1-CG1 3.65Å; F177-V298 HydrophobicContact CE1-CG1 4.34Å; F177-V298 HydrophobicContact CG-CG1 4.44Å; F177-T299 WeakPolarHBondContact CA-O 3.39Å; F177-L300 HydrophobicContact CD1-CB 4.28Å; F177-L300 HydrophobicContact CD1-CD1 4.2Å; F177-L300 HydrophobicContact CD2-CD1 4.13Å; F177-L300 HydrophobicContact CE1-CB 3.94Å; F177-L300 HydrophobicContact CE1-CD1 3.69Å; F177-L300 HydrophobicContact CE1-CG 4.42Å; F177-L300 HydrophobicContact CE2-CD1 3.59Å; F177-L300 HydrophobicContact CG-CD1 4.43Å; F177-L300 HydrophobicContact CZ-CB 4.47Å; F177-L300 HydrophobicContact CZ-CD1 3.37Å; F177-L300 HydrophobicContact CZ-CG 4.47Å
178	C	97.6	Very high	87.4	Confident	23 Å²	23	57.7 Å²	57.7	16%	0.155	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	165.1	160.5	68.7	0	0	0	0	110.2	P221 V222 V298 T299 L301	C178-P221 CarbonylContact C-O 3.51Å; C178-P221 WeakPolarHBondContact CA-O 3.17Å; C178-P221 VanDerWaalsContact CB-O 3.31Å; C178-P221 WeakPolarHBondContact CB-O 3.38Å; C178-V222 HydrophobicContact CB-CB 4.35Å; C178-V222 HydrophobicContact CB-CG1 4.45Å; C178-V222 HydrophobicContact CB-CG2 3.88Å; C178-V298 CarbonylContact O-C 3.5Å; C178-V298 WeakPolarHBondContact O-CA 3.35Å; C178-T299 PolarHBondContact N-O 2.98Å; C178-T299 PolarHBondContact O-N 2.77Å; C178-L301 HydrophobicContact CB-CD1 3.81Å; C178-L301 HydrophobicContact CB-CG 4.18Å
179	A	97.9	Very high	89	Confident	5 Å²	5	55.2 Å²	55.2	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	164.2	168.2	0	0	0	0	0	111.5	L182 N220 P221 W223 T297 V298	A179-L182 HydrophobicContact CB-CD1 3.76Å; A179-L182 HydrophobicContact CB-CD2 3.88Å; A179-L182 HydrophobicContact CB-CG 3.78Å; A179-N220 CarbonylContact O-C 3.57Å; A179-N220 WeakPolarHBondContact O-CA 3.48Å; A179-P221 HydrophobicContact CB-CG 3.79Å; A179-P221 PolarHBondContact N-O 2.75Å; A179-W223 HydrophobicContact CB-CH2 3.67Å; A179-W223 HydrophobicContact CB-CZ3 3.82Å; A179-T297 CarbonylContact C-O 3.48Å; A179-T297 WeakPolarHBondContact CA-O 3.46Å; A179-T297 WeakPolarHBondContact CB-O 3.15Å; A179-V298 HydrophobicContact CB-CG2 3.89Å
180	N	97.1	Very high	90.6	Very high	73 Å²	73	58.9 Å²	58.9	39%	0.39	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	134.4	-178.2	-177.9	47.2	0	0	0	110.1	L182 N220 G296 T297	N180-L182 VanDerWaalsContact C-N 3.29Å; N180-L182 PolarHBondContact O-N 3.28Å; N180-N220 WeakPolarHBondContact CA-OD1 3.28Å; N180-N220 PolarHBondContact OD1-OD1 2.67Å; N180-G296 WeakPolarHBondContact O-CA 3.43Å; N180-T297 PolarHBondContact N-O 3.13Å; N180-T297 PolarHBondContact O-N 3.2Å
181	K	96.7	Very high	91.6	Very high	153 Å²	153	55.6 Å²	55.6	67%	0.665	27%	0.267	S	S	*	.	S	Bend	trans	51.6	44.1	177.9	-60.1	176.7	-178.7	176.2	0	113.3	L219 N220 G296	K181-L219 PolarHBondContact N-O 2.95Å; K181-L219 VanDerWaalsContact N-O 3.13Å; K181-N220 PolarHBondContact N-OD1 3.36Å; K181-G296 WeakPolarHBondContact O-CA 3.21Å
182	L	97.1	Very high	92.2	Very high	4 Å²	4	55 Å²	55	2%	0.021	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-59.1	150.5	171.9	-65.9	-178.9	0	0	0	111.1	A179 N180 K184 P193 L219 P221 V246 I258 V280 S295	A179-L182 HydrophobicContact CB-CD1 3.76Å; A179-L182 HydrophobicContact CB-CD2 3.88Å; A179-L182 HydrophobicContact CB-CG 3.78Å; N180-L182 VanDerWaalsContact C-N 3.29Å; N180-L182 PolarHBondContact O-N 3.28Å; L182-K184 PolarHBondContact O-N 3.13Å; L182-P193 HydrophobicContact CD1-CB 3.6Å; L182-P193 HydrophobicContact CD1-CG 3.92Å; L182-L219 HydrophobicContact CB-CB 4.44Å; L182-L219 PolarHBondContact N-O 3.2Å; L182-L219 WeakPolarHBondContact O-CD1 3.42Å; L182-L219 WeakPolarHBondContact O-CD2 3.47Å; L182-P221 HydrophobicContact CD1-CG 3.89Å; L182-V246 HydrophobicContact CD1-CG1 4.04Å; L182-V246 HydrophobicContact CD2-CG1 4.26Å; L182-I258 HydrophobicContact CD2-CG2 4.47Å; L182-V280 HydrophobicContact CD2-CG2 4.25Å; L182-S295 WeakPolarHBondContact CA-O 3.22Å
183	D	93.8	Very high	92.6	Very high	49 Å²	49	55 Å²	55	26%	0.262	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-69.7	125.4	176.2	-88.7	-12.2	0	0	0	111.1	K185 S191 I258 K285 S295	D183-K185 PolarHBondContact O-N 3.19Å; D183-S191 PolarHBondContact O-OG 3.37Å; D183-I258 HydrophobicContact CB-CG2 4.32Å; D183-K285 IonicContact OD2-NZ 2.54Å; D183-K285 PolarHBondContact OD2-NZ 2.86Å; D183-S295 PolarHBondContact N-O 3.18Å; D183-S295 WeakPolarHBondContact OD2-CB 3.26Å; D183-S295 PolarHBondContact OD2-OG 3.05Å
184	K	93.1	Very high	92.9	Very high	108 Å²	108	55.7 Å²	55.7	47%	0.47	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-62.4	128	170.6	-172.9	-163.3	-170	-134.6	0	110.7	L182 D186 F187 G189 L219	L182-K184 PolarHBondContact O-N 3.13Å; K184-D186 WeakPolarHBondContact CE-O 3.48Å; K184-D186 PolarHBondContact NZ-O 3.43Å; K184-F187 PolarHBondContact NZ-O 3.03Å; K184-F187 VanDerWaalsContact NZ-O 3.16Å; K184-G189 WeakPolarHBondContact CE-O 3.36Å; K184-G189 PolarHBondContact NZ-O 2.83Å; K184-L219 HydrophobicContact CB-CD1 4.38Å; K184-L219 HydrophobicContact CB-CD2 4.13Å
185	K	90.6	Very high	93.2	Very high	47 Å²	47	53.2 Å²	53.2	20%	0.204	25%	0.254	C	S	.	.			trans	-110	-33.3	170.4	-42.1	-59.7	-136.8	67.6	0	113.8	D183 S191 D248 D256 F257 I258	D183-K185 PolarHBondContact O-N 3.19Å; K185-S191 PolarHBondContact N-OG 3.4Å; K185-D248 HydrophobicContact CB-CB 4.21Å; K185-D248 WeakPolarHBondContact CB-OD2 3.39Å; K185-D248 HydrophobicContact CG-CB 3.97Å; K185-D256 HydrophobicContact CB-CB 4Å; K185-D256 WeakPolarHBondContact CB-OD2 3.43Å; K185-D256 HydrophobicContact CG-CB 4.07Å; K185-D256 IonicContact NZ-OD1 3.4Å; K185-F257 WeakPolarHBondContact CE-O 3.13Å; K185-F257 PolarHBondContact NZ-O 3.49Å; K185-I258 HydrophobicContact CG-CG1 4.09Å
186	D	84.5	Confident	93.2	Very high	39 Å²	39	53.4 Å²	53.4	21%	0.209	26%	0.256	C	S	.	.			trans	-64.2	141.9	177	-72.5	-45.6	0	0	0	115.7	K184	K184-D186 WeakPolarHBondContact CE-O 3.48Å; K184-D186 PolarHBondContact NZ-O 3.43Å
187	F	80.1	Confident	93.2	Very high	189 Å²	189	50.9 Å²	50.9	83%	0.829	24%	0.244	S	C	*	.	S	Bend	trans	-72.5	-46.9	173.5	-125	-95.6	0	0	0	111.4	K184	K184-F187 PolarHBondContact NZ-O 3.03Å; K184-F187 VanDerWaalsContact NZ-O 3.16Å
188	F	79.9	Confident	93	Very high	206 Å²	206	52.4 Å²	52.4	90%	0.904	25%	0.25	S	C	*	.	S	Bend	trans	-116.1	72.3	-177.2	-68.9	-78	0	0	0	112.6
189	G	85.9	Confident	92.7	Very high	31 Å²	31	53.7 Å²	53.7	32%	0.32	25%	0.251	S	S	.	.	S	Bend	trans	151.1	-178.6	-177.7	0	0	0	0	0	110.2	K184	K184-G189 WeakPolarHBondContact CE-O 3.36Å; K184-G189 PolarHBondContact NZ-O 2.83Å
190	K	92.6	Very high	92.2	Very high	96 Å²	96	54.3 Å²	54.3	42%	0.417	26%	0.255	S	S	.	.			trans	-92.9	167	156.6	-63.7	167.4	-178.3	171.6	0	107.6	N217 L219	K190-N217 WeakPolarHBondContact CB-OD1 3.29Å; K190-N217 PolarHBondContact N-OD1 3.03Å; K190-L219 HydrophobicContact CB-CD2 3.96Å; K190-L219 HydrophobicContact CB-CG 4.11Å; K190-L219 HydrophobicContact CD-CG 4.19Å; K190-L219 HydrophobicContact CG-CD2 4.44Å; K190-L219 HydrophobicContact CG-CG 4.12Å
191	S	93.8	Very high	91.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.246	C	C	.	.			trans	-55	156.7	173.6	-66.1	0	0	0	0	113.6	D183 K185 P193 N217 T218 D248	D183-S191 PolarHBondContact O-OG 3.37Å; K185-S191 PolarHBondContact N-OG 3.4Å; S191-P193 WeakPolarHBondContact O-CD 3.2Å; S191-N217 CarbonylContact O-C 3.59Å; S191-N217 WeakPolarHBondContact O-CA 3.46Å; S191-N217 PolarHBondContact O-N 2.93Å; S191-T218 PolarHBondContact O-N 2.84Å; S191-D248 VanDerWaalsContact CA-OD1 3.22Å; S191-D248 WeakPolarHBondContact CA-OD1 3.47Å; S191-D248 WeakPolarHBondContact CA-OD2 3.17Å; S191-D248 VanDerWaalsContact CB-OD1 3.27Å; S191-D248 WeakPolarHBondContact CB-OD1 3.42Å; S191-D248 WeakPolarHBondContact CB-OD2 3.32Å; S191-D248 VanDerWaalsContact OG-CG 3.31Å; S191-D248 PolarHBondContact OG-OD2 3.41Å
192	D	94.6	Very high	90.5	Very high	25 Å²	25	53.9 Å²	53.9	13%	0.134	26%	0.255	C	S	.	.			trans	-107.1	69.1	171.6	-68.8	-16.3	0	0	0	110.2	V214 V215 K216 N217 D248 W249	D192-V214 HydrophobicContact CB-CG1 3.79Å; D192-V215 CarbonylContact C-O 3.49Å; D192-V215 WeakPolarHBondContact CA-O 3.27Å; D192-K216 WeakPolarHBondContact OD1-CA 3.44Å; D192-K216 WeakPolarHBondContact OD1-CB 3.42Å; D192-N217 PolarHBondContact OD1-N 3.11Å; D192-D248 WeakPolarHBondContact CA-OD1 3.46Å; D192-D248 PolarHBondContact N-OD1 3.34Å; D192-W249 HydrophobicContact CB-CB 4.03Å; D192-W249 WeakPolarHBondContact O-CB 3.2Å; D192-W249 PolarHBondContact O-N 3.23Å
193	P	96.9	Very high	89.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	144.7	-167.1	28.8	-40.3	0	0	0	115.9	L182 S191 V215 T218 P221 W223 Y247 I258	L182-P193 HydrophobicContact CD1-CB 3.6Å; L182-P193 HydrophobicContact CD1-CG 3.92Å; S191-P193 WeakPolarHBondContact O-CD 3.2Å; P193-V215 WeakPolarHBondContact CD-O 3.47Å; P193-V215 PolarHBondContact O-N 2.87Å; P193-T218 VanDerWaalsContact CD-O 3.28Å; P193-T218 WeakPolarHBondContact CD-O 3.46Å; P193-T218 HydrophobicContact CG-CG2 4.19Å; P193-P221 HydrophobicContact CB-CG 4.16Å; P193-P221 HydrophobicContact CG-CB 3.8Å; P193-P221 HydrophobicContact CG-CG 3.52Å; P193-W223 HydrophobicContact CB-CZ2 4.16Å; P193-W223 PolarHBondContact O-NE1 3.32Å; P193-Y247 WeakPolarHBondContact CA-O 3.4Å; P193-I258 HydrophobicContact CB-CD1 4.48Å
194	F	96.9	Very high	89	Confident	14 Å²	14	60.1 Å²	60.1	6%	0.061	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160	167.5	69.7	-81	0	0	0	112	V196 E213 V214 Y247 W249 H255	F194-V196 HydrophobicContact CD2-CG2 3.95Å; F194-V196 HydrophobicContact CE2-CG2 3.54Å; F194-E213 WeakPolarHBondContact CB-O 3.49Å; F194-V214 HydrophobicContact CB-CG2 4.15Å; F194-V214 HydrophobicContact CD1-CG2 4.07Å; F194-V214 HydrophobicContact CG-CG2 4.27Å; F194-Y247 HydrophobicContact CE1-CG 4.36Å; F194-Y247 HydrophobicContact CE2-CD2 4.24Å; F194-Y247 HydrophobicContact CE2-CG 4.39Å; F194-Y247 HydrophobicContact CZ-CD2 4.22Å; F194-Y247 AromaticContact CZ-CG 3.93Å; F194-Y247 HydrophobicContact CZ-CG 3.93Å; F194-Y247 PolarHBondContact N-O 3.49Å; F194-Y247 PolarHBondContact O-N 3.49Å; F194-W249 HydrophobicContact CD1-CB 4.07Å; F194-W249 HydrophobicContact CE1-CB 4.06Å; F194-H255 HydrophobicContact CE1-CB 4.28Å; F194-H255 HydrophobicContact CZ-CB 4.24Å; F194-H255 AromaticContact CZ-CD2 3.7Å
195	L	97.9	Very high	88.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	145.1	178.3	-57.4	179.2	0	0	0	111.4	F177 F197 K211 T212 W223 V244 E245 V246 V298	F177-L195 HydrophobicContact CB-CD1 4.05Å; F177-L195 HydrophobicContact CG-CD1 4.31Å; L195-F197 HydrophobicContact CB-CD2 4.38Å; L195-F197 HydrophobicContact CB-CE2 3.83Å; L195-F197 HydrophobicContact CD1-CE2 4Å; L195-F197 HydrophobicContact CD1-CZ 4.12Å; L195-K211 WeakPolarHBondContact O-CA 3.24Å; L195-T212 HydrophobicContact CB-CG2 3.88Å; L195-T212 HydrophobicContact CD1-CG2 4.34Å; L195-T212 HydrophobicContact CG-CG2 4.36Å; L195-T212 PolarHBondContact N-OG1 2.9Å; L195-T212 PolarHBondContact O-N 2.56Å; L195-T212 VanDerWaalsContact O-N 3.1Å; L195-W223 HydrophobicContact CD1-CD2 4.19Å; L195-W223 HydrophobicContact CD1-CE3 3.77Å; L195-W223 HydrophobicContact CD1-CH2 4.04Å; L195-W223 HydrophobicContact CD1-CZ2 4.44Å; L195-W223 HydrophobicContact CD1-CZ3 3.69Å; L195-W223 HydrophobicContact CD2-CH2 3.59Å; L195-W223 HydrophobicContact CD2-CZ2 3.94Å; L195-W223 HydrophobicContact CD2-CZ3 4.07Å; L195-W223 HydrophobicContact CG-CD2 4.2Å; L195-W223 HydrophobicContact CG-CE3 4.13Å; L195-W223 HydrophobicContact CG-CH2 3.69Å; L195-W223 HydrophobicContact CG-CZ2 3.77Å; L195-W223 HydrophobicContact CG-CZ3 3.89Å; L195-V244 HydrophobicContact CB-CG1 4.27Å; L195-V244 HydrophobicContact CD2-CG1 4.19Å; L195-E245 CarbonylContact C-O 3.58Å; L195-E245 WeakPolarHBondContact CA-O 3.41Å; L195-V246 HydrophobicContact CD2-CB 4.28Å; L195-V246 HydrophobicContact CD2-CG1 4.15Å; L195-V246 HydrophobicContact CD2-CG2 3.69Å; L195-V298 HydrophobicContact CD2-CG2 4.36Å
196	V	96.4	Very high	88.5	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.9	168.9	-171.4	0	0	0	0	109.1	F194 Y198 I208 K211 V244 E245 Y247	F194-V196 HydrophobicContact CD2-CG2 3.95Å; F194-V196 HydrophobicContact CE2-CG2 3.54Å; V196-Y198 HydrophobicContact CB-CE2 3.74Å; V196-Y198 HydrophobicContact CG1-CD2 4.1Å; V196-Y198 HydrophobicContact CG1-CE1 4.26Å; V196-Y198 HydrophobicContact CG1-CE2 3.38Å; V196-Y198 VanDerWaalsContact CG1-CZ 3.48Å; V196-I208 HydrophobicContact CG1-CD1 4.33Å; V196-I208 HydrophobicContact CG1-CG1 4.13Å; V196-I208 HydrophobicContact CG1-CG2 4.13Å; V196-K211 HydrophobicContact CB-CG 4.48Å; V196-K211 HydrophobicContact CG1-CG 4.02Å; V196-K211 HydrophobicContact CG2-CD 4.41Å; V196-K211 HydrophobicContact CG2-CG 4.13Å; V196-V244 WeakPolarHBondContact O-CA 3.48Å; V196-E245 PolarHBondContact N-O 3.16Å; V196-E245 PolarHBondContact O-N 3.17Å; V196-Y247 HydrophobicContact CB-CE2 4.5Å; V196-Y247 HydrophobicContact CG2-CD2 3.86Å; V196-Y247 HydrophobicContact CG2-CE2 4.02Å
197	F	96.4	Very high	88.3	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.7	178.3	-70	-104.4	0	0	0	110.1	F177 L195 I208 C209 H210 T212 F226 I228 I242 V244	F177-F197 HydrophobicContact CD2-CZ 4.04Å; F177-F197 HydrophobicContact CE2-CE1 4.02Å; F177-F197 AromaticContact CE2-CZ 3.65Å; F177-F197 HydrophobicContact CE2-CZ 3.65Å; F177-F197 HydrophobicContact CZ-CE1 4.05Å; F177-F197 AromaticContact CZ-CZ 3.99Å; F177-F197 HydrophobicContact CZ-CZ 3.99Å; L195-F197 HydrophobicContact CB-CD2 4.38Å; L195-F197 HydrophobicContact CB-CE2 3.83Å; L195-F197 HydrophobicContact CD1-CE2 4Å; L195-F197 HydrophobicContact CD1-CZ 4.12Å; F197-I208 WeakPolarHBondContact O-CA 3.48Å; F197-C209 VanDerWaalsContact C-SG 3.55Å; F197-C209 WeakPolarHBondContact CB-SG 3.44Å; F197-C209 PolarHBondContact O-N 3.1Å; F197-C209 PolarHBondContact O-SG 2.72Å; F197-C209 VanDerWaalsContact O-SG 3.39Å; F197-H210 HydrophobicContact CB-CB 4.27Å; F197-H210 HydrophobicContact CD2-CB 4.38Å; F197-H210 PolarHBondContact N-O 2.78Å; F197-T212 HydrophobicContact CE2-CG2 4.38Å; F197-F226 HydrophobicContact CD2-CZ 4.38Å; F197-F226 HydrophobicContact CE1-CZ 4.41Å; F197-F226 HydrophobicContact CE2-CE1 4.31Å; F197-F226 HydrophobicContact CE2-CE2 4.12Å; F197-F226 AromaticContact CE2-CZ 3.53Å; F197-F226 HydrophobicContact CE2-CZ 3.53Å; F197-F226 HydrophobicContact CZ-CE1 4.5Å; F197-F226 HydrophobicContact CZ-CE2 4.26Å; F197-F226 AromaticContact CZ-CZ 3.57Å; F197-F226 HydrophobicContact CZ-CZ 3.57Å; F197-I228 HydrophobicContact CG-CD1 4.34Å; F197-I242 HydrophobicContact CD1-CG2 4.2Å; F197-V244 HydrophobicContact CD1-CG1 4.47Å; F197-V244 HydrophobicContact CD1-CG2 3.57Å; F197-V244 HydrophobicContact CE1-CG1 4.24Å; F197-V244 HydrophobicContact CE1-CG2 3.57Å; F197-V244 HydrophobicContact CE2-CG1 4.3Å; F197-V244 HydrophobicContact CG-CG2 4.29Å; F197-V244 HydrophobicContact CZ-CG1 4.13Å; F197-V244 HydrophobicContact CZ-CG2 4.28Å
198	Y	93.1	Very high	88.5	Confident	34 Å²	34	54.6 Å²	54.6	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.1	177	-57.8	-101.3	0	0	0	111.3	V196 F206 T207 I208 I242 K243 E245	V196-Y198 HydrophobicContact CB-CE2 3.74Å; V196-Y198 HydrophobicContact CG1-CD2 4.1Å; V196-Y198 HydrophobicContact CG1-CE1 4.26Å; V196-Y198 HydrophobicContact CG1-CE2 3.38Å; V196-Y198 VanDerWaalsContact CG1-CZ 3.48Å; Y198-F206 HydrophobicContact CD1-CB 4.09Å; Y198-F206 HydrophobicContact CG-CB 4.37Å; Y198-T207 CarbonylContact C-O 3.41Å; Y198-T207 WeakPolarHBondContact CA-O 3.12Å; Y198-I208 HydrophobicContact CD1-CB 4.43Å; Y198-I208 HydrophobicContact CD1-CG1 3.59Å; Y198-I208 HydrophobicContact CE1-CB 4.46Å; Y198-I208 HydrophobicContact CE1-CD1 3.99Å; Y198-I208 HydrophobicContact CE1-CG1 3.23Å; Y198-I242 CarbonylContact O-C 3.47Å; Y198-I242 VanDerWaalsContact O-CA 3.3Å; Y198-I242 WeakPolarHBondContact O-CA 3.49Å; Y198-K243 PolarHBondContact N-O 3.24Å; Y198-K243 PolarHBondContact O-N 2.85Å; Y198-E245 HydrophobicContact CD2-CG 4.33Å; Y198-E245 HydrophobicContact CE2-CB 4.1Å; Y198-E245 HydrophobicContact CE2-CG 3.77Å; Y198-E245 WeakPolarHBondContact CE2-OE2 3.25Å; Y198-E245 PolarHBondContact OH-OE2 3.35Å
199	R	91.8	Very high	88.8	Confident	49 Å²	49	46.2 Å²	46.2	19%	0.185	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.4	167.7	-179.2	-167	67.9	-140.4	-2.3	109.9	N201 F206 T207 A232 L233 R240	R199-N201 PolarHBondContact NH2-OD1 3.28Å; R199-F206 WeakPolarHBondContact O-CA 3.37Å; R199-T207 PolarHBondContact N-O 3.45Å; R199-T207 PolarHBondContact O-N 3.11Å; R199-A232 WeakPolarHBondContact CD-O 3.36Å; R199-A232 PolarHBondContact NH1-O 2.99Å; R199-L233 WeakPolarHBondContact CB-O 3.34Å; R199-L233 WeakPolarHBondContact CG-O 3.5Å; R199-R240 HydrophobicContact CG-CG 4.37Å
200	S	87.8	Confident	89.1	Confident	19 Å²	19	47 Å²	47	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	137.9	169.2	66.8	0	0	0	0	112.2	S205 R240 T241	S200-S205 CarbonylContact C-O 3.51Å; S200-S205 WeakPolarHBondContact CA-O 3.29Å; S200-R240 VanDerWaalsContact O-CD 3.27Å; S200-R240 WeakPolarHBondContact O-CD 3.23Å; S200-R240 PolarHBondContact O-NH1 2.83Å; S200-R240 VanDerWaalsContact OG-CG 3.29Å; S200-R240 WeakPolarHBondContact OG-CG 3.38Å; S200-T241 WeakPolarHBondContact CB-O 3.48Å; S200-T241 PolarHBondContact N-O 3.14Å; S200-T241 PolarHBondContact OG-N 2.54Å; S200-T241 PolarHBondContact OG-O 3.48Å
201	N	79.5	Confident	89.2	Confident	37 Å²	37	48.2 Å²	48.2	20%	0.198	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-96.4	168.3	175.2	-67.2	-31.1	0	0	0	110.8	R199 D203 G204 S205 T207	R199-N201 PolarHBondContact NH2-OD1 3.28Å; N201-D203 WeakPolarHBondContact CB-OD1 3.15Å; N201-D203 PolarHBondContact O-N 3.35Å; N201-G204 PolarHBondContact O-N 3.02Å; N201-S205 WeakPolarHBondContact CB-OG 3.35Å; N201-S205 PolarHBondContact N-O 2.98Å; N201-S205 PolarHBondContact ND2-OG 2.97Å; N201-T207 PolarHBondContact ND2-OG1 3.15Å; N201-T207 PolarHBondContact OD1-OG1 3.41Å
202	E	78.4	Confident	89.3	Confident	180 Å²	180	48.9 Å²	48.9	84%	0.841	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.9	-178.7	-66.3	179.9	179.5	0	0	113.1	G204	E202-G204 PolarHBondContact O-N 2.99Å
203	D	79.4	Confident	89.4	Confident	127 Å²	127	51.2 Å²	51.2	68%	0.679	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	3.2	174.4	68.1	-10.7	0	0	0	113.3	N201 S205	N201-D203 WeakPolarHBondContact CB-OD1 3.15Å; N201-D203 PolarHBondContact O-N 3.35Å; D203-S205 VanDerWaalsContact C-N 3.26Å; D203-S205 VanDerWaalsContact CG-OG 3.28Å; D203-S205 PolarHBondContact O-N 3.44Å; D203-S205 VanDerWaalsContact OD1-CB 3.25Å; D203-S205 WeakPolarHBondContact OD1-CB 3.28Å; D203-S205 PolarHBondContact OD1-N 3.26Å; D203-S205 PolarHBondContact OD1-OG 3.1Å; D203-S205 PolarHBondContact OD2-OG 3.48Å
204	G	80.3	Confident	89.3	Confident	56 Å²	56	53.5 Å²	53.5	58%	0.577	28%	0.284	S	S	*	.	S	Bend	trans	79.3	0.5	-177.1	0	0	0	0	0	114.7	N201 E202	N201-G204 PolarHBondContact O-N 3.02Å; E202-G204 PolarHBondContact O-N 2.99Å
205	S	85.3	Confident	89.3	Confident	45 Å²	45	54.5 Å²	54.5	32%	0.315	29%	0.291	S	S	.	.			trans	-74.3	170.9	172.3	72.1	0	0	0	0	111.7	S200 N201 D203	S200-S205 CarbonylContact C-O 3.51Å; S200-S205 WeakPolarHBondContact CA-O 3.29Å; N201-S205 WeakPolarHBondContact CB-OG 3.35Å; N201-S205 PolarHBondContact N-O 2.98Å; N201-S205 PolarHBondContact ND2-OG 2.97Å; D203-S205 VanDerWaalsContact C-N 3.26Å; D203-S205 VanDerWaalsContact CG-OG 3.28Å; D203-S205 PolarHBondContact O-N 3.44Å; D203-S205 VanDerWaalsContact OD1-CB 3.25Å; D203-S205 WeakPolarHBondContact OD1-CB 3.28Å; D203-S205 PolarHBondContact OD1-N 3.26Å; D203-S205 PolarHBondContact OD1-OG 3.1Å; D203-S205 PolarHBondContact OD2-OG 3.48Å
206	F	86.3	Confident	89.1	Confident	83 Å²	83	61.8 Å²	61.8	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.3	179.6	-77.5	-85.1	0	0	0	110.9	Y198 R199 K243	Y198-F206 HydrophobicContact CD1-CB 4.09Å; Y198-F206 HydrophobicContact CG-CB 4.37Å; R199-F206 WeakPolarHBondContact O-CA 3.37Å; F206-K243 HydrophobicContact CD1-CB 4Å; F206-K243 HydrophobicContact CE1-CB 3.63Å; F206-K243 HydrophobicContact CZ-CB 4.26Å
207	T	80.5	Confident	89	Confident	56 Å²	56	66.1 Å²	66.1	34%	0.344	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.3	175.9	-52.9	0	0	0	0	109.7	Y198 R199 N201 C209	Y198-T207 CarbonylContact C-O 3.41Å; Y198-T207 WeakPolarHBondContact CA-O 3.12Å; R199-T207 PolarHBondContact N-O 3.45Å; R199-T207 PolarHBondContact O-N 3.11Å; N201-T207 PolarHBondContact ND2-OG1 3.15Å; N201-T207 PolarHBondContact OD1-OG1 3.41Å; T207-C209 PolarHBondContact O-N 2.98Å
208	I	84.1	Confident	89	Confident	83 Å²	83	67.3 Å²	67.3	43%	0.426	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	128.7	174.6	-64.1	171.2	0	0	0	109	V196 F197 Y198 K211	V196-I208 HydrophobicContact CG1-CD1 4.33Å; V196-I208 HydrophobicContact CG1-CG1 4.13Å; V196-I208 HydrophobicContact CG1-CG2 4.13Å; F197-I208 WeakPolarHBondContact O-CA 3.48Å; Y198-I208 HydrophobicContact CD1-CB 4.43Å; Y198-I208 HydrophobicContact CD1-CG1 3.59Å; Y198-I208 HydrophobicContact CE1-CB 4.46Å; Y198-I208 HydrophobicContact CE1-CD1 3.99Å; Y198-I208 HydrophobicContact CE1-CG1 3.23Å; I208-K211 HydrophobicContact CG2-CG 4.38Å
209	C	86.8	Confident	89.2	Confident	30 Å²	30	67.4 Å²	67.4	20%	0.203	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-25	173.3	57.6	0	0	0	0	113.3	F197 T207 I228 A232	F197-C209 VanDerWaalsContact C-SG 3.55Å; F197-C209 WeakPolarHBondContact CB-SG 3.44Å; F197-C209 PolarHBondContact O-N 3.1Å; F197-C209 PolarHBondContact O-SG 2.72Å; F197-C209 VanDerWaalsContact O-SG 3.39Å; T207-C209 PolarHBondContact O-N 2.98Å; C209-I228 HydrophobicContact CB-CG2 4.49Å; C209-A232 HydrophobicContact CB-CB 4.38Å
210	H	92.6	Very high	89.5	Confident	48 Å²	48	68.6 Å²	68.6	22%	0.222	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	155.9	177.5	-168.8	74.7	0	0	0	113	F197 F226 I228	F197-H210 HydrophobicContact CB-CB 4.27Å; F197-H210 HydrophobicContact CD2-CB 4.38Å; F197-H210 PolarHBondContact N-O 2.78Å; H210-F226 AromaticContact CD2-CD2 3.43Å; H210-F226 VanDerWaalsContact CD2-CD2 3.43Å; H210-F226 WeakPolarHBondContact CD2-CD2 3.31Å; H210-F226 AromaticContact CD2-CE2 3.75Å; H210-F226 AromaticContact CD2-CG 3.79Å; H210-F226 AromaticContact CE1-CD2 4Å; H210-F226 WeakPolarHBondContact NE2-CB 3.17Å; H210-F226 AromaticContact NE2-CD2 3.42Å; H210-F226 WeakPolarHBondContact NE2-CD2 3.41Å; H210-F226 AromaticContact NE2-CG 3.35Å; H210-F226 VanDerWaalsContact NE2-CG 3.35Å; H210-F226 WeakPolarHBondContact NE2-CG 3.37Å; H210-I228 HydrophobicContact CB-CD1 3.38Å; H210-I228 HydrophobicContact CB-CG1 3.86Å
211	K	93.9	Very high	89.9	Confident	122 Å²	122	67.7 Å²	67.7	53%	0.53	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.3	168.8	-66.1	-173	179	-179.8	0	109.5	L195 V196 I208	L195-K211 WeakPolarHBondContact O-CA 3.24Å; V196-K211 HydrophobicContact CB-CG 4.48Å; V196-K211 HydrophobicContact CG1-CG 4.02Å; V196-K211 HydrophobicContact CG2-CD 4.41Å; V196-K211 HydrophobicContact CG2-CG 4.13Å; I208-K211 HydrophobicContact CG2-CG 4.38Å
212	T	96.4	Very high	90.8	Very high	14 Å²	14	69.9 Å²	69.9	9%	0.086	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-77.3	171.8	175.7	65.3	0	0	0	0	111.2	L195 F197 W223 F226	L195-T212 HydrophobicContact CB-CG2 3.88Å; L195-T212 HydrophobicContact CD1-CG2 4.34Å; L195-T212 HydrophobicContact CG-CG2 4.36Å; L195-T212 PolarHBondContact N-OG1 2.9Å; L195-T212 PolarHBondContact O-N 2.56Å; L195-T212 VanDerWaalsContact O-N 3.1Å; F197-T212 HydrophobicContact CE2-CG2 4.38Å; T212-W223 HydrophobicContact CG2-CB 4.42Å; T212-W223 HydrophobicContact CG2-CG 4.31Å; T212-W223 PolarHBondContact OG1-NE1 2.99Å; T212-F226 HydrophobicContact CG2-CD1 3.98Å; T212-F226 HydrophobicContact CG2-CE1 3.73Å; T212-F226 HydrophobicContact CG2-CZ 4.4Å
213	E	95.9	Very high	91.7	Very high	73 Å²	73	61.3 Å²	61.3	34%	0.341	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-65.9	161.5	165.2	80.9	-73	-175.5	0	0	112.3	F194 V215 W223 Q224	F194-E213 WeakPolarHBondContact CB-O 3.49Å; E213-V215 HydrophobicContact CG-CG2 4.46Å; E213-W223 VanDerWaalsContact O-CD1 3.27Å; E213-W223 PolarHBondContact O-NE1 3.3Å; E213-W223 WeakPolarHBondContact OE1-CA 3.49Å; E213-Q224 PolarHBondContact OE1-N 3.41Å
214	V	96.1	Very high	92.6	Very high	49 Å²	49	61.6 Å²	61.6	30%	0.297	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-87.6	123.5	173.8	176.4	0	0	0	0	109.3	D192 F194 W249	D192-V214 HydrophobicContact CB-CG1 3.79Å; F194-V214 HydrophobicContact CB-CG2 4.15Å; F194-V214 HydrophobicContact CD1-CG2 4.07Å; F194-V214 HydrophobicContact CG-CG2 4.27Å; V214-W249 HydrophobicContact CB-CB 4.47Å; V214-W249 HydrophobicContact CG1-CB 3.66Å; V214-W249 HydrophobicContact CG1-CG 4.08Å; V214-W249 HydrophobicContact CG2-CB 3.9Å; V214-W249 HydrophobicContact CG2-CG 3.88Å
215	V	96.2	Very high	93.3	Very high	35 Å²	35	61.2 Å²	61.2	21%	0.212	32%	0.323	C	S	.	.			trans	-102.6	112.4	176.1	-173.8	0	0	0	0	109.2	D192 P193 E213 T218 P221 W223	D192-V215 CarbonylContact C-O 3.49Å; D192-V215 WeakPolarHBondContact CA-O 3.27Å; P193-V215 WeakPolarHBondContact CD-O 3.47Å; P193-V215 PolarHBondContact O-N 2.87Å; E213-V215 HydrophobicContact CG-CG2 4.46Å; V215-T218 HydrophobicContact CB-CG2 4.17Å; V215-T218 HydrophobicContact CG1-CG2 3.6Å; V215-P221 HydrophobicContact CB-CB 3.9Å; V215-P221 HydrophobicContact CG1-CB 4.16Å; V215-P221 HydrophobicContact CG2-CB 4.07Å; V215-W223 HydrophobicContact CG2-CG 4.37Å
216	K	94.2	Very high	93.7	Very high	152 Å²	152	59.9 Å²	59.9	66%	0.661	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	144.7	-169.5	-62.3	-174.5	178.7	-177.8	0	114.5	D192 T218	D192-K216 WeakPolarHBondContact OD1-CA 3.44Å; D192-K216 WeakPolarHBondContact OD1-CB 3.42Å; K216-T218 PolarHBondContact O-N 3.43Å
217	N	94.2	Very high	93.8	Very high	96 Å²	96	59.9 Å²	59.9	51%	0.513	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	49.6	166.5	-169.8	21.5	0	0	0	113.3	K190 S191 D192	K190-N217 WeakPolarHBondContact CB-OD1 3.29Å; K190-N217 PolarHBondContact N-OD1 3.03Å; S191-N217 CarbonylContact O-C 3.59Å; S191-N217 WeakPolarHBondContact O-CA 3.46Å; S191-N217 PolarHBondContact O-N 2.93Å; D192-N217 PolarHBondContact OD1-N 3.11Å
218	T	96.4	Very high	94.2	Very high	25 Å²	25	57.5 Å²	57.5	15%	0.153	30%	0.296	C	S	.	.			trans	-145.8	146.7	179.6	-170.6	0	0	0	0	113	S191 P193 V215 K216 N220 P221	S191-T218 PolarHBondContact O-N 2.84Å; P193-T218 VanDerWaalsContact CD-O 3.28Å; P193-T218 WeakPolarHBondContact CD-O 3.46Å; P193-T218 HydrophobicContact CG-CG2 4.19Å; V215-T218 HydrophobicContact CB-CG2 4.17Å; V215-T218 HydrophobicContact CG1-CG2 3.6Å; K216-T218 PolarHBondContact O-N 3.43Å; T218-N220 PolarHBondContact OG1-N 3.18Å; T218-N220 VanDerWaalsContact OG1-N 3.07Å; T218-P221 HydrophobicContact CG2-CB 3.9Å
219	L	96.4	Very high	94.3	Very high	37 Å²	37	55.5 Å²	55.5	19%	0.194	29%	0.29	C	S	.	.	S	Bend	trans	-102.9	0.4	169.3	-53.4	-179.2	0	0	0	111.7	K181 L182 K184 K190 P221	K181-L219 PolarHBondContact N-O 2.95Å; K181-L219 VanDerWaalsContact N-O 3.13Å; L182-L219 HydrophobicContact CB-CB 4.44Å; L182-L219 PolarHBondContact N-O 3.2Å; L182-L219 WeakPolarHBondContact O-CD1 3.42Å; L182-L219 WeakPolarHBondContact O-CD2 3.47Å; K184-L219 HydrophobicContact CB-CD1 4.38Å; K184-L219 HydrophobicContact CB-CD2 4.13Å; K190-L219 HydrophobicContact CB-CD2 3.96Å; K190-L219 HydrophobicContact CB-CG 4.11Å; K190-L219 HydrophobicContact CD-CG 4.19Å; K190-L219 HydrophobicContact CG-CD2 4.44Å; K190-L219 HydrophobicContact CG-CG 4.12Å; L219-P221 VanDerWaalsContact C-CD 3.46Å
220	N	97.8	Very high	94.3	Very high	73 Å²	73	54.1 Å²	54.1	39%	0.39	28%	0.28	S	S	.	.	S	Bend	trans	-132.8	60.5	-178.9	-43.6	-71.2	0	0	0	110	A179 N180 K181 T218	A179-N220 CarbonylContact O-C 3.57Å; A179-N220 WeakPolarHBondContact O-CA 3.48Å; N180-N220 WeakPolarHBondContact CA-OD1 3.28Å; N180-N220 PolarHBondContact OD1-OD1 2.67Å; K181-N220 PolarHBondContact N-OD1 3.36Å; T218-N220 PolarHBondContact OG1-N 3.18Å; T218-N220 VanDerWaalsContact OG1-N 3.07Å
221	P	97.8	Very high	93.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	29%	0.29	C	S	.	.			trans	-65.4	147.3	-179.5	30.7	-38.8	0	0	0	111.4	C178 A179 L182 P193 V215 T218 L219 W223	C178-P221 CarbonylContact C-O 3.51Å; C178-P221 WeakPolarHBondContact CA-O 3.17Å; C178-P221 VanDerWaalsContact CB-O 3.31Å; C178-P221 WeakPolarHBondContact CB-O 3.38Å; A179-P221 HydrophobicContact CB-CG 3.79Å; A179-P221 PolarHBondContact N-O 2.75Å; L182-P221 HydrophobicContact CD1-CG 3.89Å; P193-P221 HydrophobicContact CB-CG 4.16Å; P193-P221 HydrophobicContact CG-CB 3.8Å; P193-P221 HydrophobicContact CG-CG 3.52Å; V215-P221 HydrophobicContact CB-CB 3.9Å; V215-P221 HydrophobicContact CG1-CB 4.16Å; V215-P221 HydrophobicContact CG2-CB 4.07Å; T218-P221 HydrophobicContact CG2-CB 3.9Å; L219-P221 VanDerWaalsContact C-CD 3.46Å; P221-W223 HydrophobicContact CB-CD2 4.3Å; P221-W223 HydrophobicContact CB-CH2 4.23Å; P221-W223 HydrophobicContact CB-CZ2 3.87Å; P221-W223 HydrophobicContact CG-CD2 4.46Å; P221-W223 HydrophobicContact CG-CE3 4.44Å; P221-W223 HydrophobicContact CG-CH2 3.39Å; P221-W223 HydrophobicContact CG-CZ2 3.37Å; P221-W223 HydrophobicContact CG-CZ3 3.95Å
222	V	97.6	Very high	93.3	Very high	82 Å²	82	53 Å²	53	50%	0.497	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-118.4	113.7	160.9	-178.4	0	0	0	0	105.1	C178 L301	C178-V222 HydrophobicContact CB-CB 4.35Å; C178-V222 HydrophobicContact CB-CG1 4.45Å; C178-V222 HydrophobicContact CB-CG2 3.88Å; V222-L301 HydrophobicContact CG1-CD1 4.01Å
223	W	98.1	Very high	92.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-82	155.1	178.2	-63	-81	0	0	0	110.2	Q176 F177 A179 P193 L195 T212 E213 V215 P221	Q176-W223 VanDerWaalsContact CG-O 3.31Å; Q176-W223 WeakPolarHBondContact CG-O 3.35Å; Q176-W223 PolarHBondContact NE2-O 2.71Å; F177-W223 HydrophobicContact CB-CE3 3.94Å; F177-W223 HydrophobicContact CB-CZ3 4.35Å; F177-W223 PolarHBondContact O-N 2.74Å; A179-W223 HydrophobicContact CB-CH2 3.67Å; A179-W223 HydrophobicContact CB-CZ3 3.82Å; P193-W223 HydrophobicContact CB-CZ2 4.16Å; P193-W223 PolarHBondContact O-NE1 3.32Å; L195-W223 HydrophobicContact CD1-CD2 4.19Å; L195-W223 HydrophobicContact CD1-CE3 3.77Å; L195-W223 HydrophobicContact CD1-CH2 4.04Å; L195-W223 HydrophobicContact CD1-CZ2 4.44Å; L195-W223 HydrophobicContact CD1-CZ3 3.69Å; L195-W223 HydrophobicContact CD2-CH2 3.59Å; L195-W223 HydrophobicContact CD2-CZ2 3.94Å; L195-W223 HydrophobicContact CD2-CZ3 4.07Å; L195-W223 HydrophobicContact CG-CD2 4.2Å; L195-W223 HydrophobicContact CG-CE3 4.13Å; L195-W223 HydrophobicContact CG-CH2 3.69Å; L195-W223 HydrophobicContact CG-CZ2 3.77Å; L195-W223 HydrophobicContact CG-CZ3 3.89Å; T212-W223 HydrophobicContact CG2-CB 4.42Å; T212-W223 HydrophobicContact CG2-CG 4.31Å; T212-W223 PolarHBondContact OG1-NE1 2.99Å; E213-W223 VanDerWaalsContact O-CD1 3.27Å; E213-W223 PolarHBondContact O-NE1 3.3Å; E213-W223 WeakPolarHBondContact OE1-CA 3.49Å; V215-W223 HydrophobicContact CG2-CG 4.37Å; P221-W223 HydrophobicContact CB-CD2 4.3Å; P221-W223 HydrophobicContact CB-CH2 4.23Å; P221-W223 HydrophobicContact CB-CZ2 3.87Å; P221-W223 HydrophobicContact CG-CD2 4.46Å; P221-W223 HydrophobicContact CG-CE3 4.44Å; P221-W223 HydrophobicContact CG-CH2 3.39Å; P221-W223 HydrophobicContact CG-CZ2 3.37Å; P221-W223 HydrophobicContact CG-CZ3 3.95Å
224	Q	96.6	Very high	92.5	Very high	133 Å²	133	48.8 Å²	48.8	62%	0.621	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-61	152.1	171.3	-66.7	-60	-37.1	0	0	110.1	E213 F226	E213-Q224 PolarHBondContact OE1-N 3.41Å; Q224-F226 WeakPolarHBondContact O-CD1 3.17Å; Q224-F226 PolarHBondContact O-N 3.41Å
225	A	95.1	Very high	91.7	Very high	48 Å²	48	50.3 Å²	50.3	40%	0.397	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-64.9	137.2	172	0	0	0	0	0	109.5	L174 M175 Q176	L174-A225 HydrophobicContact CD1-CB 4.1Å; M175-A225 CarbonylContact O-C 3.59Å; M175-A225 VanDerWaalsContact O-CA 3.3Å; M175-A225 WeakPolarHBondContact O-CA 3.4Å; Q176-A225 HydrophobicContact CB-CB 4.15Å; Q176-A225 HydrophobicContact CG-CB 4.47Å
226	F	93.8	Very high	90.7	Very high	17 Å²	17	50.4 Å²	50.4	8%	0.075	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.9	-178.9	61.7	-94.9	0	0	0	111	L174 M175 F177 F197 H210 T212 Q224 I228	L174-F226 WeakPolarHBondContact CA-O 3.44Å; M175-F226 HydrophobicContact CB-CE2 4.38Å; M175-F226 HydrophobicContact CB-CZ 4.33Å; M175-F226 HydrophobicContact CE-CE2 3.79Å; M175-F226 HydrophobicContact CE-CZ 4.31Å; M175-F226 PolarHBondContact N-O 3.43Å; M175-F226 PolarHBondContact O-N 2.89Å; F177-F226 AromaticContact CD2-CE1 3.84Å; F177-F226 HydrophobicContact CD2-CE1 3.84Å; F177-F226 AromaticContact CD2-CZ 3.71Å; F177-F226 HydrophobicContact CD2-CZ 3.71Å; F177-F226 HydrophobicContact CE2-CE1 4.39Å; F177-F226 AromaticContact CE2-CZ 3.8Å; F177-F226 HydrophobicContact CE2-CZ 3.8Å; F197-F226 HydrophobicContact CD2-CZ 4.38Å; F197-F226 HydrophobicContact CE1-CZ 4.41Å; F197-F226 HydrophobicContact CE2-CE1 4.31Å; F197-F226 HydrophobicContact CE2-CE2 4.12Å; F197-F226 AromaticContact CE2-CZ 3.53Å; F197-F226 HydrophobicContact CE2-CZ 3.53Å; F197-F226 HydrophobicContact CZ-CE1 4.5Å; F197-F226 HydrophobicContact CZ-CE2 4.26Å; F197-F226 AromaticContact CZ-CZ 3.57Å; F197-F226 HydrophobicContact CZ-CZ 3.57Å; H210-F226 AromaticContact CD2-CD2 3.43Å; H210-F226 VanDerWaalsContact CD2-CD2 3.43Å; H210-F226 WeakPolarHBondContact CD2-CD2 3.31Å; H210-F226 AromaticContact CD2-CE2 3.75Å; H210-F226 AromaticContact CD2-CG 3.79Å; H210-F226 AromaticContact CE1-CD2 4Å; H210-F226 WeakPolarHBondContact NE2-CB 3.17Å; H210-F226 AromaticContact NE2-CD2 3.42Å; H210-F226 WeakPolarHBondContact NE2-CD2 3.41Å; H210-F226 AromaticContact NE2-CG 3.35Å; H210-F226 VanDerWaalsContact NE2-CG 3.35Å; H210-F226 WeakPolarHBondContact NE2-CG 3.37Å; T212-F226 HydrophobicContact CG2-CD1 3.98Å; T212-F226 HydrophobicContact CG2-CE1 3.73Å; T212-F226 HydrophobicContact CG2-CZ 4.4Å; Q224-F226 WeakPolarHBondContact O-CD1 3.17Å; Q224-F226 PolarHBondContact O-N 3.41Å; F226-I228 HydrophobicContact CD2-CD1 4.07Å; F226-I228 HydrophobicContact CD2-CG1 3.86Å; F226-I228 HydrophobicContact CE2-CD1 3.63Å; F226-I228 HydrophobicContact CE2-CG1 3.91Å
227	K	89.9	Confident	90.3	Very high	83 Å²	83	46.4 Å²	46.4	36%	0.361	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.1	-175.9	-166.1	178.8	-174	-168	0	110.7	A172 V173 L174 E306 E308	A172-K227 HydrophobicContact CB-CD 4.24Å; A172-K227 HydrophobicContact CB-CG 4.02Å; V173-K227 WeakPolarHBondContact O-CA 3.33Å; L174-K227 HydrophobicContact CD1-CB 4.48Å; K227-E306 IonicContact NZ-OE2 3.13Å; K227-E308 WeakPolarHBondContact CE-OE1 3.36Å; K227-E308 IonicContact NZ-OE1 2.75Å; K227-E308 PolarHBondContact NZ-OE1 2.64Å
228	I	88.7	Confident	90.1	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.6	171.5	-50.4	-179.2	0	0	0	108.5	A172 V173 M175 F197 C209 H210 F226 A232 L233	A172-I228 WeakPolarHBondContact CA-O 3.27Å; V173-I228 HydrophobicContact CG2-CB 4.37Å; V173-I228 WeakPolarHBondContact CG2-O 3.48Å; V173-I228 PolarHBondContact N-O 3.27Å; V173-I228 PolarHBondContact O-N 2.77Å; M175-I228 HydrophobicContact CE-CD1 3.95Å; M175-I228 HydrophobicContact CE-CG1 4.36Å; F197-I228 HydrophobicContact CG-CD1 4.34Å; C209-I228 HydrophobicContact CB-CG2 4.49Å; H210-I228 HydrophobicContact CB-CD1 3.38Å; H210-I228 HydrophobicContact CB-CG1 3.86Å; F226-I228 HydrophobicContact CD2-CD1 4.07Å; F226-I228 HydrophobicContact CD2-CG1 3.86Å; F226-I228 HydrophobicContact CE2-CD1 3.63Å; F226-I228 HydrophobicContact CE2-CG1 3.91Å; I228-A232 HydrophobicContact CG2-CB 4.01Å; I228-L233 HydrophobicContact CD1-CD1 4.21Å; I228-L233 HydrophobicContact CG2-CB 3.93Å; I228-L233 HydrophobicContact CG2-CD1 4.38Å
229	S	85.4	Confident	90	Very high	41 Å²	41	48.6 Å²	48.6	29%	0.287	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	143.2	172.7	70	0	0	0	0	111	R231 A232 L233	S229-R231 PolarHBondContact O-N 3.39Å; S229-A232 PolarHBondContact O-N 3.24Å; S229-A232 VanDerWaalsContact OG-CB 3.24Å; S229-A232 WeakPolarHBondContact OG-CB 3.45Å; S229-A232 PolarHBondContact OG-N 3.07Å; S229-A232 VanDerWaalsContact OG-N 3.12Å; S229-L233 WeakPolarHBondContact O-CB 3.3Å; S229-L233 PolarHBondContact O-N 3.33Å
230	V	86.5	Confident	89.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-30.7	178.6	173.2	0	0	0	0	110.7	C169 D171 V173 L233 C234 N235 Y238 Y265	C169-V230 HydrophobicContact CB-CB 4.38Å; C169-V230 HydrophobicContact CB-CG1 4.42Å; C169-V230 WeakPolarHBondContact SG-CB 3.43Å; C169-V230 WeakPolarHBondContact SG-CG1 3.23Å; D171-V230 HydrophobicContact CB-CB 4.38Å; D171-V230 HydrophobicContact CB-CG2 3.74Å; D171-V230 VanDerWaalsContact O-CB 3.26Å; D171-V230 WeakPolarHBondContact O-CB 3.45Å; D171-V230 VanDerWaalsContact O-CG2 3.22Å; D171-V230 WeakPolarHBondContact O-CG2 3.48Å; D171-V230 PolarHBondContact O-N 3.33Å; V173-V230 HydrophobicContact CG1-CG2 4.1Å; V230-L233 PolarHBondContact O-N 3.05Å; V230-C234 PolarHBondContact O-N 3.14Å; V230-C234 PolarHBondContact O-SG 3.39Å; V230-C234 VanDerWaalsContact O-SG 3.36Å; V230-N235 PolarHBondContact O-N 2.77Å; V230-N235 VanDerWaalsContact O-N 3.16Å; V230-Y238 HydrophobicContact CG1-CD1 4.33Å; V230-Y238 HydrophobicContact CG1-CE1 3.71Å; V230-Y265 HydrophobicContact CG1-CD2 4.32Å; V230-Y265 HydrophobicContact CG1-CE2 4.22Å; V230-Y265 HydrophobicContact CG2-CD2 4.13Å; V230-Y265 HydrophobicContact CG2-CE2 3.51Å
231	R	83.3	Confident	89.7	Confident	116 Å²	116	47.7 Å²	47.7	44%	0.438	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-47.8	170.8	-172.6	176.8	-179.8	-176.1	-4	112.7	S229 L233 N235	S229-R231 PolarHBondContact O-N 3.39Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-N235 WeakPolarHBondContact O-CA 3.25Å; R231-N235 PolarHBondContact O-N 3.13Å
232	A	82.7	Confident	89.7	Confident	30 Å²	30	47.7 Å²	47.7	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-40.4	177.3	0	0	0	0	0	111.4	R199 C209 I228 S229	R199-A232 WeakPolarHBondContact CD-O 3.36Å; R199-A232 PolarHBondContact NH1-O 2.99Å; C209-A232 HydrophobicContact CB-CB 4.38Å; I228-A232 HydrophobicContact CG2-CB 4.01Å; S229-A232 PolarHBondContact O-N 3.24Å; S229-A232 VanDerWaalsContact OG-CB 3.24Å; S229-A232 WeakPolarHBondContact OG-CB 3.45Å; S229-A232 PolarHBondContact OG-N 3.07Å; S229-A232 VanDerWaalsContact OG-N 3.12Å
233	L	88.3	Confident	89.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-72.2	-44	-175.3	-169.5	61.4	0	0	0	113.1	V173 M175 R199 I228 S229 V230 R231 I242 Y265 L268	V173-L233 HydrophobicContact CG2-CD2 3.65Å; M175-L233 HydrophobicContact CE-CD2 4.34Å; R199-L233 WeakPolarHBondContact CB-O 3.34Å; R199-L233 WeakPolarHBondContact CG-O 3.5Å; I228-L233 HydrophobicContact CD1-CD1 4.21Å; I228-L233 HydrophobicContact CG2-CB 3.93Å; I228-L233 HydrophobicContact CG2-CD1 4.38Å; S229-L233 WeakPolarHBondContact O-CB 3.3Å; S229-L233 PolarHBondContact O-N 3.33Å; V230-L233 PolarHBondContact O-N 3.05Å; R231-L233 VanDerWaalsContact C-N 3.33Å; L233-I242 HydrophobicContact CD1-CD1 3.71Å; L233-I242 HydrophobicContact CD1-CG1 4.08Å; L233-I242 HydrophobicContact CD1-CG2 4.03Å; L233-I242 HydrophobicContact CD2-CD1 3.96Å; L233-I242 HydrophobicContact CG-CD1 3.54Å; L233-I242 HydrophobicContact CG-CG1 4.19Å; L233-Y265 HydrophobicContact CD2-CD2 4.37Å; L233-L268 HydrophobicContact CD2-CD1 4.46Å
234	C	86.8	Confident	89.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-146	2.5	-171.9	78.3	0	0	0	0	114.9	V230 G236 D237 R240	V230-C234 PolarHBondContact O-N 3.14Å; V230-C234 PolarHBondContact O-SG 3.39Å; V230-C234 VanDerWaalsContact O-SG 3.36Å; C234-G236 PolarHBondContact O-N 2.77Å; C234-D237 VanDerWaalsContact CB-O 3.23Å; C234-D237 WeakPolarHBondContact CB-O 3.25Å; C234-D237 PolarHBondContact O-N 3.14Å; C234-D237 PolarHBondContact SG-O 3.29Å; C234-R240 HydrophobicContact CB-CB 4.18Å; C234-R240 VanDerWaalsContact O-CD 3.32Å; C234-R240 WeakPolarHBondContact O-CD 3.25Å; C234-R240 PolarHBondContact O-NE 3.38Å
235	N	78.9	Confident	89.8	Confident	80 Å²	80	39.8 Å²	39.8	43%	0.428	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	36.8	177.8	-160.6	48.4	0	0	0	114	V230 R231 D237	V230-N235 PolarHBondContact O-N 2.77Å; V230-N235 VanDerWaalsContact O-N 3.16Å; R231-N235 WeakPolarHBondContact O-CA 3.25Å; R231-N235 PolarHBondContact O-N 3.13Å; N235-D237 PolarHBondContact O-N 2.77Å
236	G	75.9	Confident	89.9	Confident	37 Å²	37	37.5 Å²	37.5	38%	0.381	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-11.2	-179.1	0	0	0	0	0	115.2	C234 Y238	C234-G236 PolarHBondContact O-N 2.77Å; G236-Y238 PolarHBondContact O-N 3.3Å
237	D	85.2	Confident	90	Very high	69 Å²	69	39 Å²	39	37%	0.369	20%	0.201	S	C	.	.			trans	-89.7	100	172.7	174.8	3.5	0	0	0	109.5	C234 N235 D239 R240	C234-D237 VanDerWaalsContact CB-O 3.23Å; C234-D237 WeakPolarHBondContact CB-O 3.25Å; C234-D237 PolarHBondContact O-N 3.14Å; C234-D237 PolarHBondContact SG-O 3.29Å; N235-D237 PolarHBondContact O-N 2.77Å; D237-D239 PolarHBondContact O-N 3.49Å; D237-D239 PolarHBondContact OD1-N 3.12Å; D237-D239 VanDerWaalsContact OD1-N 3.13Å; D237-R240 HydrophobicContact CB-CB 4Å; D237-R240 WeakPolarHBondContact O-CB 3.32Å; D237-R240 PolarHBondContact O-N 2.99Å; D237-R240 VanDerWaalsContact O-N 3.09Å; D237-R240 PolarHBondContact OD1-N 3.43Å; D237-R240 IonicContact OD2-NE 3.51Å; D237-R240 IonicContact OD2-NH2 3.08Å
238	Y	91.6	Very high	90.2	Very high	80 Å²	80	35 Å²	35	31%	0.314	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-13.3	-173.5	-63.2	-13.8	0	0	0	114.5	V230 G236 Y265 R266	V230-Y238 HydrophobicContact CG1-CD1 4.33Å; V230-Y238 HydrophobicContact CG1-CE1 3.71Å; G236-Y238 PolarHBondContact O-N 3.3Å; Y238-Y265 AromaticContact CD1-CD1 3.65Å; Y238-Y265 HydrophobicContact CD1-CD1 3.65Å; Y238-Y265 HydrophobicContact CD1-CE1 4.03Å; Y238-Y265 HydrophobicContact CD1-CG 4.13Å; Y238-Y265 HydrophobicContact CD2-CD1 4.12Å; Y238-Y265 HydrophobicContact CD2-CE1 4.13Å; Y238-Y265 HydrophobicContact CE1-CD1 4.25Å; Y238-Y265 HydrophobicContact CE1-CE1 4.19Å; Y238-Y265 HydrophobicContact CE2-CE1 4.26Å; Y238-Y265 AromaticContact CG-CD1 3.59Å; Y238-Y265 HydrophobicContact CG-CD1 3.59Å; Y238-Y265 HydrophobicContact CG-CE1 4.02Å; Y238-Y265 HydrophobicContact CG-CG 4.41Å; Y238-Y265 PolarHBondContact O-N 3.23Å; Y238-R266 WeakPolarHBondContact O-CB 3.47Å; Y238-R266 PolarHBondContact O-N 3.23Å
239	D	93.8	Very high	90.4	Very high	87 Å²	87	38.8 Å²	38.8	47%	0.465	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-3.5	176.8	-66	-66.6	0	0	0	112.2	D237 T241 R266	D237-D239 PolarHBondContact O-N 3.49Å; D237-D239 PolarHBondContact OD1-N 3.12Å; D237-D239 VanDerWaalsContact OD1-N 3.13Å; D239-T241 PolarHBondContact O-N 3.24Å; D239-R266 VanDerWaalsContact CG-NE 3.32Å; D239-R266 VanDerWaalsContact OD1-CD 3.3Å; D239-R266 WeakPolarHBondContact OD1-CD 3.4Å; D239-R266 IonicContact OD1-CZ 2.69Å; D239-R266 IonicContact OD1-NE 3.39Å; D239-R266 PolarHBondContact OD1-NE 3.5Å; D239-R266 IonicContact OD1-NH2 3.99Å; D239-R266 IonicContact OD2-CZ 3.72Å; D239-R266 IonicContact OD2-NE 3.88Å; D239-R266 PolarHBondContact OD2-NE 3.41Å; D239-R266 VanDerWaalsContact OD2-NE 3.13Å; D239-R266 IonicContact OD2-NH2 3.76Å; D239-R266 PolarHBondContact OD2-NH2 2.95Å
240	R	91.9	Very high	90.4	Very high	30 Å²	30	38.4 Å²	38.4	11%	0.113	19%	0.192	C	C	.	.	S	Bend	trans	-57.4	136.8	176.1	-172	168.2	-71.9	-116.2	2.3	111.4	R199 S200 C234 D237 I242	R199-R240 HydrophobicContact CG-CG 4.37Å; S200-R240 VanDerWaalsContact O-CD 3.27Å; S200-R240 WeakPolarHBondContact O-CD 3.23Å; S200-R240 PolarHBondContact O-NH1 2.83Å; S200-R240 VanDerWaalsContact OG-CG 3.29Å; S200-R240 WeakPolarHBondContact OG-CG 3.38Å; C234-R240 HydrophobicContact CB-CB 4.18Å; C234-R240 VanDerWaalsContact O-CD 3.32Å; C234-R240 WeakPolarHBondContact O-CD 3.25Å; C234-R240 PolarHBondContact O-NE 3.38Å; D237-R240 HydrophobicContact CB-CB 4Å; D237-R240 WeakPolarHBondContact O-CB 3.32Å; D237-R240 PolarHBondContact O-N 2.99Å; D237-R240 VanDerWaalsContact O-N 3.09Å; D237-R240 PolarHBondContact OD1-N 3.43Å; D237-R240 IonicContact OD2-NE 3.51Å; D237-R240 IonicContact OD2-NH2 3.08Å; R240-I242 PolarHBondContact O-N 3.37Å
241	T	96.3	Very high	89.9	Confident	61 Å²	61	49.4 Å²	49.4	37%	0.374	23%	0.234	S	C	.	.			trans	-69.6	126.2	-178.8	-59	0	0	0	0	111.1	S200 D239 T262	S200-T241 WeakPolarHBondContact CB-O 3.48Å; S200-T241 PolarHBondContact N-O 3.14Å; S200-T241 PolarHBondContact OG-N 2.54Å; S200-T241 PolarHBondContact OG-O 3.48Å; D239-T241 PolarHBondContact O-N 3.24Å; T241-T262 HydrophobicContact CG2-CG2 4.04Å
242	I	97.3	Very high	89.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.3	169.6	-58.6	160.5	0	0	0	106.6	F197 Y198 L233 R240 V244 T262 T263 L268	F197-I242 HydrophobicContact CD1-CG2 4.2Å; Y198-I242 CarbonylContact O-C 3.47Å; Y198-I242 VanDerWaalsContact O-CA 3.3Å; Y198-I242 WeakPolarHBondContact O-CA 3.49Å; L233-I242 HydrophobicContact CD1-CD1 3.71Å; L233-I242 HydrophobicContact CD1-CG1 4.08Å; L233-I242 HydrophobicContact CD1-CG2 4.03Å; L233-I242 HydrophobicContact CD2-CD1 3.96Å; L233-I242 HydrophobicContact CG-CD1 3.54Å; L233-I242 HydrophobicContact CG-CG1 4.19Å; R240-I242 PolarHBondContact O-N 3.37Å; I242-V244 HydrophobicContact CG2-CG2 4.27Å; I242-T262 CarbonylContact O-C 3.37Å; I242-T262 VanDerWaalsContact O-CA 3.27Å; I242-T262 WeakPolarHBondContact O-CA 3.26Å; I242-T263 HydrophobicContact CB-CG2 4.2Å; I242-T263 PolarHBondContact N-O 2.82Å; I242-T263 PolarHBondContact O-N 2.83Å; I242-L268 HydrophobicContact CD1-CD1 3.9Å
243	K	97.4	Very high	89.1	Confident	34 Å²	34	50.7 Å²	50.7	15%	0.148	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.7	172.8	-178.8	178.2	61.6	149.9	0	109	Y198 F206 E245 T262	Y198-K243 PolarHBondContact N-O 3.24Å; Y198-K243 PolarHBondContact O-N 2.85Å; F206-K243 HydrophobicContact CD1-CB 4Å; F206-K243 HydrophobicContact CE1-CB 3.63Å; F206-K243 HydrophobicContact CZ-CB 4.26Å; K243-E245 HydrophobicContact CD-CG 4.46Å; K243-E245 WeakPolarHBondContact CE-OE1 3.43Å; K243-E245 HydrophobicContact CG-CG 4.45Å; K243-E245 IonicContact NZ-OE1 3.65Å; K243-E245 PolarHBondContact NZ-OE1 3.02Å; K243-T262 HydrophobicContact CB-CG2 4.33Å; K243-T262 HydrophobicContact CG-CG2 4.4Å
244	V	98.1	Very high	88.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.9	175.7	-172.4	0	0	0	0	108.6	L195 V196 F197 I242 E260 F261	L195-V244 HydrophobicContact CB-CG1 4.27Å; L195-V244 HydrophobicContact CD2-CG1 4.19Å; V196-V244 WeakPolarHBondContact O-CA 3.48Å; F197-V244 HydrophobicContact CD1-CG1 4.47Å; F197-V244 HydrophobicContact CD1-CG2 3.57Å; F197-V244 HydrophobicContact CE1-CG1 4.24Å; F197-V244 HydrophobicContact CE1-CG2 3.57Å; F197-V244 HydrophobicContact CE2-CG1 4.3Å; F197-V244 HydrophobicContact CG-CG2 4.29Å; F197-V244 HydrophobicContact CZ-CG1 4.13Å; F197-V244 HydrophobicContact CZ-CG2 4.28Å; I242-V244 HydrophobicContact CG2-CG2 4.27Å; V244-E260 CarbonylContact O-C 3.57Å; V244-E260 VanDerWaalsContact O-CA 3.24Å; V244-E260 WeakPolarHBondContact O-CA 3.23Å; V244-F261 HydrophobicContact CB-CD1 4.11Å; V244-F261 HydrophobicContact CB-CD2 4.31Å; V244-F261 HydrophobicContact CB-CE1 3.59Å; V244-F261 HydrophobicContact CB-CE2 3.83Å; V244-F261 HydrophobicContact CB-CG 4.45Å; V244-F261 HydrophobicContact CB-CZ 3.45Å; V244-F261 VanDerWaalsContact CB-CZ 3.45Å; V244-F261 HydrophobicContact CG1-CE1 3.67Å; V244-F261 HydrophobicContact CG1-CZ 3.67Å; V244-F261 HydrophobicContact CG2-CD2 4.45Å; V244-F261 HydrophobicContact CG2-CE1 4.36Å; V244-F261 HydrophobicContact CG2-CE2 3.75Å; V244-F261 HydrophobicContact CG2-CZ 3.7Å; V244-F261 PolarHBondContact N-O 2.91Å; V244-F261 PolarHBondContact O-N 3.37Å
245	E	98	Very high	88.7	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.7	176.7	-65.3	177.3	166.8	0	0	109.8	L195 V196 Y198 K243 Y247 F257 E260	L195-E245 CarbonylContact C-O 3.58Å; L195-E245 WeakPolarHBondContact CA-O 3.41Å; V196-E245 PolarHBondContact N-O 3.16Å; V196-E245 PolarHBondContact O-N 3.17Å; Y198-E245 HydrophobicContact CD2-CG 4.33Å; Y198-E245 HydrophobicContact CE2-CB 4.1Å; Y198-E245 HydrophobicContact CE2-CG 3.77Å; Y198-E245 WeakPolarHBondContact CE2-OE2 3.25Å; Y198-E245 PolarHBondContact OH-OE2 3.35Å; K243-E245 HydrophobicContact CD-CG 4.46Å; K243-E245 WeakPolarHBondContact CE-OE1 3.43Å; K243-E245 HydrophobicContact CG-CG 4.45Å; K243-E245 IonicContact NZ-OE1 3.65Å; K243-E245 PolarHBondContact NZ-OE1 3.02Å; E245-Y247 HydrophobicContact CB-CD2 4.09Å; E245-Y247 HydrophobicContact CB-CE2 3.48Å; E245-Y247 VanDerWaalsContact CB-CE2 3.48Å; E245-Y247 HydrophobicContact CG-CE2 4.42Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.42Å; E245-Y247 PolarHBondContact OE2-OH 3.08Å; E245-F257 HydrophobicContact CB-CE2 4.09Å; E245-F257 HydrophobicContact CG-CE2 4.06Å; E245-E260 HydrophobicContact CG-CB 4.13Å
246	V	98.3	Very high	89.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.8	177.2	-165.9	0	0	0	0	108.1	L182 L195 I258 G259 V280 V298	L182-V246 HydrophobicContact CD1-CG1 4.04Å; L182-V246 HydrophobicContact CD2-CG1 4.26Å; L195-V246 HydrophobicContact CD2-CB 4.28Å; L195-V246 HydrophobicContact CD2-CG1 4.15Å; L195-V246 HydrophobicContact CD2-CG2 3.69Å; V246-I258 HydrophobicContact CB-CB 4.22Å; V246-I258 HydrophobicContact CG1-CB 4.25Å; V246-I258 HydrophobicContact CG1-CD1 4.18Å; V246-I258 WeakPolarHBondContact O-CA 3.23Å; V246-I258 WeakPolarHBondContact O-CB 3.41Å; V246-I258 PolarHBondContact O-N 3.08Å; V246-G259 PolarHBondContact N-O 3.15Å; V246-G259 PolarHBondContact O-N 3.07Å; V246-V280 HydrophobicContact CB-CG1 4.25Å; V246-V280 HydrophobicContact CG2-CG1 3.84Å; V246-V280 HydrophobicContact CG2-CG2 4.04Å; V246-V298 HydrophobicContact CG2-CG2 4.11Å
247	Y	96.1	Very high	90.2	Very high	48 Å²	48	57.2 Å²	57.2	19%	0.188	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152.8	-178.6	-74.8	-86	0	0	0	111.2	P193 F194 V196 E245 H255 F257	P193-Y247 WeakPolarHBondContact CA-O 3.4Å; F194-Y247 HydrophobicContact CE1-CG 4.36Å; F194-Y247 HydrophobicContact CE2-CD2 4.24Å; F194-Y247 HydrophobicContact CE2-CG 4.39Å; F194-Y247 HydrophobicContact CZ-CD2 4.22Å; F194-Y247 AromaticContact CZ-CG 3.93Å; F194-Y247 HydrophobicContact CZ-CG 3.93Å; F194-Y247 PolarHBondContact N-O 3.49Å; F194-Y247 PolarHBondContact O-N 3.49Å; V196-Y247 HydrophobicContact CB-CE2 4.5Å; V196-Y247 HydrophobicContact CG2-CD2 3.86Å; V196-Y247 HydrophobicContact CG2-CE2 4.02Å; E245-Y247 HydrophobicContact CB-CD2 4.09Å; E245-Y247 HydrophobicContact CB-CE2 3.48Å; E245-Y247 VanDerWaalsContact CB-CE2 3.48Å; E245-Y247 HydrophobicContact CG-CE2 4.42Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.42Å; E245-Y247 PolarHBondContact OE2-OH 3.08Å; Y247-H255 HydrophobicContact CD1-CB 4.1Å; Y247-F257 HydrophobicContact CD1-CB 4.22Å; Y247-F257 HydrophobicContact CD1-CD2 4.3Å; Y247-F257 HydrophobicContact CE1-CB 3.92Å; Y247-F257 AromaticContact CE1-CD2 3.77Å; Y247-F257 HydrophobicContact CE1-CD2 3.77Å; Y247-F257 HydrophobicContact CE1-CG 4.34Å; Y247-F257 HydrophobicContact CE2-CD2 4.36Å; Y247-F257 AromaticContact CZ-CD2 3.81Å
248	D	94.2	Very high	90.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.8	162.2	-158.4	-0.7	0	0	0	108.8	K185 S191 D192 H255 D256 I258	K185-D248 HydrophobicContact CB-CB 4.21Å; K185-D248 WeakPolarHBondContact CB-OD2 3.39Å; K185-D248 HydrophobicContact CG-CB 3.97Å; S191-D248 VanDerWaalsContact CA-OD1 3.22Å; S191-D248 WeakPolarHBondContact CA-OD1 3.47Å; S191-D248 WeakPolarHBondContact CA-OD2 3.17Å; S191-D248 VanDerWaalsContact CB-OD1 3.27Å; S191-D248 WeakPolarHBondContact CB-OD1 3.42Å; S191-D248 WeakPolarHBondContact CB-OD2 3.32Å; S191-D248 VanDerWaalsContact OG-CG 3.31Å; S191-D248 PolarHBondContact OG-OD2 3.41Å; D192-D248 WeakPolarHBondContact CA-OD1 3.46Å; D192-D248 PolarHBondContact N-OD1 3.34Å; D248-H255 CarbonylContact O-C 3.54Å; D248-H255 VanDerWaalsContact O-CA 3.29Å; D248-H255 WeakPolarHBondContact O-CA 3.48Å; D248-H255 WeakPolarHBondContact O-CB 3.38Å; D248-D256 HydrophobicContact CB-CB 3.78Å; D248-D256 PolarHBondContact N-O 2.74Å; D248-D256 PolarHBondContact O-N 3.46Å; D248-I258 HydrophobicContact CB-CD1 4.19Å; D248-I258 HydrophobicContact CB-CG1 4.31Å
249	W	93.1	Very high	91.1	Very high	87 Å²	87	50.1 Å²	50.1	33%	0.33	25%	0.252	S	S	.	.			trans	-81	135.2	180	-178.3	89.4	0	0	0	111.1	D192 F194 V214 R251 H255	D192-W249 HydrophobicContact CB-CB 4.03Å; D192-W249 WeakPolarHBondContact O-CB 3.2Å; D192-W249 PolarHBondContact O-N 3.23Å; F194-W249 HydrophobicContact CD1-CB 4.07Å; F194-W249 HydrophobicContact CE1-CB 4.06Å; V214-W249 HydrophobicContact CB-CB 4.47Å; V214-W249 HydrophobicContact CG1-CB 3.66Å; V214-W249 HydrophobicContact CG1-CG 4.08Å; V214-W249 HydrophobicContact CG2-CB 3.9Å; V214-W249 HydrophobicContact CG2-CG 3.88Å; W249-R251 HydrophobicContact CH2-CB 3.84Å; W249-R251 HydrophobicContact CH2-CG 4Å; W249-R251 HydrophobicContact CZ3-CB 4.11Å; W249-H255 AromaticContact CD1-CE1 3.17Å; W249-H255 AromaticContact CD1-ND1 3.8Å; W249-H255 AromaticContact CD1-NE2 3.66Å; W249-H255 AromaticContact CG-CE1 3.87Å; W249-H255 AromaticContact NE1-CE1 3.37Å; W249-H255 PolarHBondContact NE1-CE1 2.91Å; W249-H255 AromaticContact NE1-NE2 3.92Å
250	D	83.9	Confident	91.3	Very high	32 Å²	32	48.6 Å²	48.6	17%	0.171	24%	0.243	C	C	.	.			trans	-128.3	138.5	-178.4	-73.5	-62.1	0	0	0	109.4	D252 G253 H255 D256	D250-D252 PolarHBondContact O-N 3.04Å; D250-G253 PolarHBondContact O-N 3.15Å; D250-G253 VanDerWaalsContact O-N 3.11Å; D250-H255 PolarHBondContact N-ND1 2.99Å; D250-H255 PolarHBondContact O-CE1 2.56Å; D250-H255 PolarHBondContact O-ND1 3.19Å; D250-H255 WeakPolarHBondContact OD2-CA 3.49Å; D250-D256 PolarHBondContact OD2-N 3.31Å
251	R	76.8	Confident	91.5	Very high	231 Å²	231	47.9 Å²	47.9	87%	0.872	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.4	-173	-167.7	175.3	-174.5	-168.7	1.9	114	W249 G253	W249-R251 HydrophobicContact CH2-CB 3.84Å; W249-R251 HydrophobicContact CH2-CG 4Å; W249-R251 HydrophobicContact CZ3-CB 4.11Å; R251-G253 VanDerWaalsContact C-N 3.32Å
252	D	76.9	Confident	91.6	Very high	124 Å²	124	49.1 Å²	49.1	66%	0.663	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	0	179.7	66.9	3.1	0	0	0	113.5	D250 S254	D250-D252 PolarHBondContact O-N 3.04Å; D252-S254 VanDerWaalsContact C-N 3.31Å; D252-S254 WeakPolarHBondContact OD1-CB 3.48Å; D252-S254 PolarHBondContact OD1-N 3.15Å; D252-S254 PolarHBondContact OD1-OG 2.72Å; D252-S254 PolarHBondContact OD2-OG 3.28Å; D252-S254 VanDerWaalsContact OD2-OG 3.12Å
253	G	72.8	Confident	91.5	Very high	50 Å²	50	49.4 Å²	49.4	52%	0.515	25%	0.25	S	C	.	.	S	Bend	trans	83.7	-0.9	-178.6	0	0	0	0	0	114.5	D250 R251 H255	D250-G253 PolarHBondContact O-N 3.15Å; D250-G253 VanDerWaalsContact O-N 3.11Å; R251-G253 VanDerWaalsContact C-N 3.32Å; G253-H255 PolarHBondContact O-N 3.4Å; G253-H255 VanDerWaalsContact O-N 3.1Å
254	S	81.5	Confident	91.5	Very high	78 Å²	78	48.3 Å²	48.3	55%	0.545	25%	0.246	S	C	.	.			trans	-86.9	45.2	-179.9	71.9	0	0	0	0	113.5	D252 D256	D252-S254 VanDerWaalsContact C-N 3.31Å; D252-S254 WeakPolarHBondContact OD1-CB 3.48Å; D252-S254 PolarHBondContact OD1-N 3.15Å; D252-S254 PolarHBondContact OD1-OG 2.72Å; D252-S254 PolarHBondContact OD2-OG 3.28Å; D252-S254 VanDerWaalsContact OD2-OG 3.12Å; S254-D256 PolarHBondContact O-N 2.95Å
255	H	85.3	Confident	91.2	Very high	61 Å²	61	49.1 Å²	49.1	28%	0.282	25%	0.249	S	C	.	.			trans	-44	123.9	-171.9	-58	-29.6	0	0	0	114.4	F194 Y247 D248 W249 D250 G253 F257	F194-H255 HydrophobicContact CE1-CB 4.28Å; F194-H255 HydrophobicContact CZ-CB 4.24Å; F194-H255 AromaticContact CZ-CD2 3.7Å; Y247-H255 HydrophobicContact CD1-CB 4.1Å; D248-H255 CarbonylContact O-C 3.54Å; D248-H255 VanDerWaalsContact O-CA 3.29Å; D248-H255 WeakPolarHBondContact O-CA 3.48Å; D248-H255 WeakPolarHBondContact O-CB 3.38Å; W249-H255 AromaticContact CD1-CE1 3.17Å; W249-H255 AromaticContact CD1-ND1 3.8Å; W249-H255 AromaticContact CD1-NE2 3.66Å; W249-H255 AromaticContact CG-CE1 3.87Å; W249-H255 AromaticContact NE1-CE1 3.37Å; W249-H255 PolarHBondContact NE1-CE1 2.91Å; W249-H255 AromaticContact NE1-NE2 3.92Å; D250-H255 PolarHBondContact N-ND1 2.99Å; D250-H255 PolarHBondContact O-CE1 2.56Å; D250-H255 PolarHBondContact O-ND1 3.19Å; D250-H255 WeakPolarHBondContact OD2-CA 3.49Å; G253-H255 PolarHBondContact O-N 3.4Å; G253-H255 VanDerWaalsContact O-N 3.1Å; H255-F257 PolarHBondContact O-N 3.4Å
256	D	90.6	Very high	91	Very high	66 Å²	66	54 Å²	54	35%	0.353	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	113.9	-172.6	-124.5	-26.9	0	0	0	112.4	K185 D248 D250 S254 I258	K185-D256 HydrophobicContact CB-CB 4Å; K185-D256 WeakPolarHBondContact CB-OD2 3.43Å; K185-D256 HydrophobicContact CG-CB 4.07Å; K185-D256 IonicContact NZ-OD1 3.4Å; D248-D256 HydrophobicContact CB-CB 3.78Å; D248-D256 PolarHBondContact N-O 2.74Å; D248-D256 PolarHBondContact O-N 3.46Å; D250-D256 PolarHBondContact OD2-N 3.31Å; S254-D256 PolarHBondContact O-N 2.95Å; D256-I258 PolarHBondContact O-N 2.78Å
257	F	95.4	Very high	90.8	Very high	48 Å²	48	57.6 Å²	57.6	21%	0.211	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	120.5	-179.4	-179.4	-107.4	0	0	0	112.1	K185 E245 Y247 H255 G259 E260 N282	K185-F257 WeakPolarHBondContact CE-O 3.13Å; K185-F257 PolarHBondContact NZ-O 3.49Å; E245-F257 HydrophobicContact CB-CE2 4.09Å; E245-F257 HydrophobicContact CG-CE2 4.06Å; Y247-F257 HydrophobicContact CD1-CB 4.22Å; Y247-F257 HydrophobicContact CD1-CD2 4.3Å; Y247-F257 HydrophobicContact CE1-CB 3.92Å; Y247-F257 AromaticContact CE1-CD2 3.77Å; Y247-F257 HydrophobicContact CE1-CD2 3.77Å; Y247-F257 HydrophobicContact CE1-CG 4.34Å; Y247-F257 HydrophobicContact CE2-CD2 4.36Å; Y247-F257 AromaticContact CZ-CD2 3.81Å; H255-F257 PolarHBondContact O-N 3.4Å; F257-G259 WeakPolarHBondContact CE2-O 3.49Å; F257-G259 VanDerWaalsContact CZ-CA 3.44Å; F257-E260 HydrophobicContact CE2-CB 4.29Å; F257-E260 HydrophobicContact CZ-CB 3.9Å; F257-E260 HydrophobicContact CZ-CG 4.09Å; F257-N282 PolarHBondContact O-ND2 3.05Å
258	I	96.9	Very high	90.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-55.8	176.8	-62.6	176.8	0	0	0	109.4	L182 D183 K185 P193 V246 D248 D256 V280 N282 S295	L182-I258 HydrophobicContact CD2-CG2 4.47Å; D183-I258 HydrophobicContact CB-CG2 4.32Å; K185-I258 HydrophobicContact CG-CG1 4.09Å; P193-I258 HydrophobicContact CB-CD1 4.48Å; V246-I258 HydrophobicContact CB-CB 4.22Å; V246-I258 HydrophobicContact CG1-CB 4.25Å; V246-I258 HydrophobicContact CG1-CD1 4.18Å; V246-I258 WeakPolarHBondContact O-CA 3.23Å; V246-I258 WeakPolarHBondContact O-CB 3.41Å; V246-I258 PolarHBondContact O-N 3.08Å; D248-I258 HydrophobicContact CB-CD1 4.19Å; D248-I258 HydrophobicContact CB-CG1 4.31Å; D256-I258 PolarHBondContact O-N 2.78Å; I258-V280 HydrophobicContact CG2-CG1 4.35Å; I258-N282 WeakPolarHBondContact O-CB 3.39Å; I258-N282 PolarHBondContact O-ND2 3.03Å; I258-S295 PolarHBondContact O-OG 3.41Å
259	G	97.8	Very high	90.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-174.1	176.8	0	0	0	0	0	112.5	V246 F257 V281	V246-G259 PolarHBondContact N-O 3.15Å; V246-G259 PolarHBondContact O-N 3.07Å; F257-G259 WeakPolarHBondContact CE2-O 3.49Å; F257-G259 VanDerWaalsContact CZ-CA 3.44Å; G259-V281 CarbonylContact C-O 3.59Å; G259-V281 VanDerWaalsContact CA-O 3.27Å; G259-V281 WeakPolarHBondContact CA-O 3.4Å
260	E	98.1	Very high	90.4	Very high	56 Å²	56	60.6 Å²	60.6	26%	0.262	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.2	-177	64.4	-174.6	-173.2	0	0	112	V244 E245 F257 V281 P283	V244-E260 CarbonylContact O-C 3.57Å; V244-E260 VanDerWaalsContact O-CA 3.24Å; V244-E260 WeakPolarHBondContact O-CA 3.23Å; E245-E260 HydrophobicContact CG-CB 4.13Å; F257-E260 HydrophobicContact CE2-CB 4.29Å; F257-E260 HydrophobicContact CZ-CB 3.9Å; F257-E260 HydrophobicContact CZ-CG 4.09Å; E260-V281 PolarHBondContact N-O 3.07Å; E260-V281 PolarHBondContact O-N 2.94Å; E260-P283 WeakPolarHBondContact OE1-CG 3.45Å
261	F	97.7	Very high	90.4	Very high	15 Å²	15	59.8 Å²	59.8	7%	0.066	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	167.7	165.4	65.5	-87.6	0	0	0	110.1	V244 Y278 V298	V244-F261 HydrophobicContact CB-CD1 4.11Å; V244-F261 HydrophobicContact CB-CD2 4.31Å; V244-F261 HydrophobicContact CB-CE1 3.59Å; V244-F261 HydrophobicContact CB-CE2 3.83Å; V244-F261 HydrophobicContact CB-CG 4.45Å; V244-F261 HydrophobicContact CB-CZ 3.45Å; V244-F261 VanDerWaalsContact CB-CZ 3.45Å; V244-F261 HydrophobicContact CG1-CE1 3.67Å; V244-F261 HydrophobicContact CG1-CZ 3.67Å; V244-F261 HydrophobicContact CG2-CD2 4.45Å; V244-F261 HydrophobicContact CG2-CE1 4.36Å; V244-F261 HydrophobicContact CG2-CE2 3.75Å; V244-F261 HydrophobicContact CG2-CZ 3.7Å; V244-F261 PolarHBondContact N-O 2.91Å; V244-F261 PolarHBondContact O-N 3.37Å; F261-Y278 VanDerWaalsContact CD2-CB 3.44Å; F261-Y278 AromaticContact CD2-CD1 3.51Å; F261-Y278 HydrophobicContact CD2-CD1 3.51Å; F261-Y278 AromaticContact CD2-CD2 3.9Å; F261-Y278 HydrophobicContact CD2-CD2 3.9Å; F261-Y278 HydrophobicContact CD2-CE1 4.2Å; F261-Y278 AromaticContact CD2-CG 3.32Å; F261-Y278 HydrophobicContact CD2-CG 3.32Å; F261-Y278 AromaticContact CE2-CD1 3.84Å; F261-Y278 HydrophobicContact CE2-CD1 3.84Å; F261-Y278 AromaticContact CE2-CD2 3.42Å; F261-Y278 HydrophobicContact CE2-CD2 3.42Å; F261-Y278 VanDerWaalsContact CE2-CD2 3.42Å; F261-Y278 HydrophobicContact CE2-CE1 4.25Å; F261-Y278 AromaticContact CE2-CE2 3.87Å; F261-Y278 HydrophobicContact CE2-CE2 3.87Å; F261-Y278 AromaticContact CE2-CG 3.39Å; F261-Y278 HydrophobicContact CE2-CG 3.39Å; F261-Y278 HydrophobicContact CG-CD1 4.37Å; F261-Y278 AromaticContact CG-CG 3.98Å; F261-Y278 HydrophobicContact CG-CG 3.98Å; F261-Y278 AromaticContact CZ-CD2 3.87Å; F261-Y278 HydrophobicContact CZ-CD2 3.87Å; F261-Y278 HydrophobicContact CZ-CE2 4.5Å; F261-Y278 HydrophobicContact CZ-CG 4.09Å; F261-V298 HydrophobicContact CE1-CB 3.73Å; F261-V298 HydrophobicContact CE1-CG1 3.85Å; F261-V298 HydrophobicContact CE1-CG2 3.96Å; F261-V298 HydrophobicContact CZ-CB 4.13Å; F261-V298 HydrophobicContact CZ-CG1 3.81Å
262	T	97.1	Very high	90.4	Very high	86 Å²	86	55.7 Å²	55.7	53%	0.528	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.7	176.7	55.6	0	0	0	0	110.7	T241 I242 K243	T241-T262 HydrophobicContact CG2-CG2 4.04Å; I242-T262 CarbonylContact O-C 3.37Å; I242-T262 VanDerWaalsContact O-CA 3.27Å; I242-T262 WeakPolarHBondContact O-CA 3.26Å; K243-T262 HydrophobicContact CB-CG2 4.33Å; K243-T262 HydrophobicContact CG-CG2 4.4Å
263	T	96.3	Very high	90.4	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.043	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	-169	174.1	-167.2	0	0	0	0	110.5	I242 E267 L268 Y278	I242-T263 HydrophobicContact CB-CG2 4.2Å; I242-T263 PolarHBondContact N-O 2.82Å; I242-T263 PolarHBondContact O-N 2.83Å; T263-E267 WeakPolarHBondContact CA-OE2 3.47Å; T263-E267 WeakPolarHBondContact CB-OE2 3.45Å; T263-E267 WeakPolarHBondContact OG1-CB 3.39Å; T263-E267 PolarHBondContact OG1-OE2 3.47Å; T263-L268 HydrophobicContact CG2-CD1 3.94Å; T263-L268 HydrophobicContact CG2-CD2 4.08Å; T263-L268 HydrophobicContact CG2-CG 3.89Å; T263-Y278 HydrophobicContact CG2-CE1 4.44Å; T263-Y278 WeakPolarHBondContact OG1-CE1 3.4Å; T263-Y278 PolarHBondContact OG1-OH 3.31Å
264	S	95.8	Very high	90.5	Very high	10 Å²	10	56.9 Å²	56.9	7%	0.07	29%	0.285	C	S	.	.			trans	-142.2	166.5	172.4	71.5	0	0	0	0	111.2	R266 E267 L268	S264-R266 PolarHBondContact O-N 3.26Å; S264-R266 PolarHBondContact OG-N 3.44Å; S264-E267 PolarHBondContact N-OE2 2.82Å; S264-E267 PolarHBondContact O-N 3.01Å; S264-E267 VanDerWaalsContact O-N 3.17Å; S264-E267 PolarHBondContact OG-N 3.33Å; S264-L268 WeakPolarHBondContact O-CG 3.25Å; S264-L268 PolarHBondContact O-N 3.36Å
265	Y	93.7	Very high	90.1	Very high	17 Å²	17	59.3 Å²	59.3	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-41.4	173.5	176.1	-86.6	0	0	0	111.1	V173 V230 L233 Y238 E267 L268 S269 F303 V305	V173-Y265 HydrophobicContact CG1-CD2 4.21Å; V173-Y265 HydrophobicContact CG1-CE2 3.53Å; V230-Y265 HydrophobicContact CG1-CD2 4.32Å; V230-Y265 HydrophobicContact CG1-CE2 4.22Å; V230-Y265 HydrophobicContact CG2-CD2 4.13Å; V230-Y265 HydrophobicContact CG2-CE2 3.51Å; L233-Y265 HydrophobicContact CD2-CD2 4.37Å; Y238-Y265 AromaticContact CD1-CD1 3.65Å; Y238-Y265 HydrophobicContact CD1-CD1 3.65Å; Y238-Y265 HydrophobicContact CD1-CE1 4.03Å; Y238-Y265 HydrophobicContact CD1-CG 4.13Å; Y238-Y265 HydrophobicContact CD2-CD1 4.12Å; Y238-Y265 HydrophobicContact CD2-CE1 4.13Å; Y238-Y265 HydrophobicContact CE1-CD1 4.25Å; Y238-Y265 HydrophobicContact CE1-CE1 4.19Å; Y238-Y265 HydrophobicContact CE2-CE1 4.26Å; Y238-Y265 AromaticContact CG-CD1 3.59Å; Y238-Y265 HydrophobicContact CG-CD1 3.59Å; Y238-Y265 HydrophobicContact CG-CE1 4.02Å; Y238-Y265 HydrophobicContact CG-CG 4.41Å; Y238-Y265 PolarHBondContact O-N 3.23Å; Y265-E267 VanDerWaalsContact C-N 3.27Å; Y265-E267 PolarHBondContact O-N 3.33Å; Y265-L268 PolarHBondContact O-N 2.87Å; Y265-S269 VanDerWaalsContact O-CB 3.26Å; Y265-S269 WeakPolarHBondContact O-CB 3.38Å; Y265-S269 PolarHBondContact O-N 3.12Å; Y265-S269 PolarHBondContact O-OG 2.86Å; Y265-F303 HydrophobicContact CD2-CZ 4.04Å; Y265-F303 HydrophobicContact CE2-CE1 4.41Å; Y265-F303 AromaticContact CE2-CZ 3.74Å; Y265-F303 HydrophobicContact CE2-CZ 3.74Å; Y265-V305 WeakPolarHBondContact OH-CG2 3.41Å
266	R	93.4	Very high	90.3	Very high	117 Å²	117	56.4 Å²	56.4	44%	0.442	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-34.1	178.3	-172	178.6	-57.5	-74.2	0	113.1	Y238 D239 S264 S269	Y238-R266 WeakPolarHBondContact O-CB 3.47Å; Y238-R266 PolarHBondContact O-N 3.23Å; D239-R266 VanDerWaalsContact CG-NE 3.32Å; D239-R266 VanDerWaalsContact OD1-CD 3.3Å; D239-R266 WeakPolarHBondContact OD1-CD 3.4Å; D239-R266 IonicContact OD1-CZ 2.69Å; D239-R266 IonicContact OD1-NE 3.39Å; D239-R266 PolarHBondContact OD1-NE 3.5Å; D239-R266 IonicContact OD1-NH2 3.99Å; D239-R266 IonicContact OD2-CZ 3.72Å; D239-R266 IonicContact OD2-NE 3.88Å; D239-R266 PolarHBondContact OD2-NE 3.41Å; D239-R266 VanDerWaalsContact OD2-NE 3.13Å; D239-R266 IonicContact OD2-NH2 3.76Å; D239-R266 PolarHBondContact OD2-NH2 2.95Å; S264-R266 PolarHBondContact O-N 3.26Å; S264-R266 PolarHBondContact OG-N 3.44Å; R266-S269 WeakPolarHBondContact CA-OG 3.32Å; R266-S269 PolarHBondContact O-OG 2.96Å
267	E	93.4	Very high	90.5	Very high	77 Å²	77	56.5 Å²	56.5	36%	0.36	28%	0.276	S	S	.	.	H	α-helix	trans	-75.4	-50	174.9	-70.1	179.9	162	0	0	111.6	T263 S264 Y265 S269 R270 N276	T263-E267 WeakPolarHBondContact CA-OE2 3.47Å; T263-E267 WeakPolarHBondContact CB-OE2 3.45Å; T263-E267 WeakPolarHBondContact OG1-CB 3.39Å; T263-E267 PolarHBondContact OG1-OE2 3.47Å; S264-E267 PolarHBondContact N-OE2 2.82Å; S264-E267 PolarHBondContact O-N 3.01Å; S264-E267 VanDerWaalsContact O-N 3.17Å; S264-E267 PolarHBondContact OG-N 3.33Å; Y265-E267 VanDerWaalsContact C-N 3.27Å; Y265-E267 PolarHBondContact O-N 3.33Å; E267-S269 VanDerWaalsContact C-N 3.27Å; E267-S269 PolarHBondContact O-N 2.7Å; E267-R270 VanDerWaalsContact O-CB 3.31Å; E267-R270 WeakPolarHBondContact O-CB 3.45Å; E267-R270 PolarHBondContact O-N 3.49Å; E267-N276 PolarHBondContact O-ND2 3.14Å; E267-N276 VanDerWaalsContact O-ND2 3.09Å; E267-N276 PolarHBondContact O-OD1 3.03Å
268	L	94.2	Very high	90.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-40.8	179.4	-69.4	170.1	0	0	0	112.1	M175 F177 L233 I242 T263 S264 Y265 R270 G271 N276 Y278 L300 F303	M175-L268 HydrophobicContact SD-CD1 4.11Å; F177-L268 HydrophobicContact CE1-CD2 4.42Å; F177-L268 HydrophobicContact CZ-CD2 3.95Å; L233-L268 HydrophobicContact CD2-CD1 4.46Å; I242-L268 HydrophobicContact CD1-CD1 3.9Å; T263-L268 HydrophobicContact CG2-CD1 3.94Å; T263-L268 HydrophobicContact CG2-CD2 4.08Å; T263-L268 HydrophobicContact CG2-CG 3.89Å; S264-L268 WeakPolarHBondContact O-CG 3.25Å; S264-L268 PolarHBondContact O-N 3.36Å; Y265-L268 PolarHBondContact O-N 2.87Å; L268-R270 PolarHBondContact O-N 2.82Å; L268-G271 PolarHBondContact O-N 3.11Å; L268-N276 PolarHBondContact O-ND2 3.19Å; L268-Y278 WeakPolarHBondContact CD2-OH 3.08Å; L268-L300 HydrophobicContact CB-CD2 4.42Å; L268-L300 HydrophobicContact CD2-CD1 4.33Å; L268-L300 HydrophobicContact CD2-CD2 3.88Å; L268-L300 WeakPolarHBondContact O-CD2 3.31Å; L268-F303 HydrophobicContact CB-CD2 3.73Å; L268-F303 HydrophobicContact CB-CE2 3.41Å; L268-F303 VanDerWaalsContact CB-CE2 3.41Å; L268-F303 HydrophobicContact CB-CZ 4.2Å; L268-F303 WeakPolarHBondContact O-CG 3.16Å
269	S	91.9	Very high	90.5	Very high	52 Å²	52	60.4 Å²	60.4	36%	0.364	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.2	178.1	56.9	0	0	0	0	115.4	Y265 R266 E267 G271	Y265-S269 VanDerWaalsContact O-CB 3.26Å; Y265-S269 WeakPolarHBondContact O-CB 3.38Å; Y265-S269 PolarHBondContact O-N 3.12Å; Y265-S269 PolarHBondContact O-OG 2.86Å; R266-S269 WeakPolarHBondContact CA-OG 3.32Å; R266-S269 PolarHBondContact O-OG 2.96Å; E267-S269 VanDerWaalsContact C-N 3.27Å; E267-S269 PolarHBondContact O-N 2.7Å; S269-G271 PolarHBondContact O-N 3.13Å
270	R	89.5	Confident	90.5	Very high	145 Å²	145	60.4 Å²	60.4	55%	0.547	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5	168	-60.7	177	-179.9	169	1	112.9	E267 L268	E267-R270 VanDerWaalsContact O-CB 3.31Å; E267-R270 WeakPolarHBondContact O-CB 3.45Å; E267-R270 PolarHBondContact O-N 3.49Å; L268-R270 PolarHBondContact O-N 2.82Å
271	G	82.5	Confident	90.5	Very high	15 Å²	15	59.4 Å²	59.4	16%	0.155	29%	0.292	C	S	.	.			trans	72.2	-157.7	173.2	0	0	0	0	0	113.9	L268 S269 S273 N276	L268-G271 PolarHBondContact O-N 3.11Å; S269-G271 PolarHBondContact O-N 3.13Å; G271-S273 PolarHBondContact O-N 3.19Å; G271-N276 PolarHBondContact O-ND2 3.28Å
272	Q	78.3	Confident	90.4	Very high	145 Å²	145	59.1 Å²	59.1	68%	0.678	29%	0.291	S	S	*	.	S	Bend	trans	-62.8	106.9	173.5	-77.8	-171.4	-9.9	0	0	109.6	L301	Q272-L301 WeakPolarHBondContact CG-O 3.17Å; Q272-L301 PolarHBondContact NE2-O 2.66Å
273	S	75.8	Confident	90.2	Very high	38 Å²	38	58.1 Å²	58.1	27%	0.266	29%	0.286	S	S	.	.	S	Bend	trans	-151.7	163.5	174.6	75.4	0	0	0	0	110	G271 F275 N276	G271-S273 PolarHBondContact O-N 3.19Å; S273-F275 PolarHBondContact O-N 2.71Å; S273-F275 WeakPolarHBondContact OG-CB 3.36Å; S273-F275 PolarHBondContact OG-N 3.07Å; S273-N276 PolarHBondContact O-N 2.92Å
274	Q	74.7	Confident	90.1	Very high	161 Å²	161	65.6 Å²	65.6	75%	0.752	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-55.9	-17.6	170.8	66.2	-175.4	2.4	0	0	113.3
275	F	73.3	Confident	89.8	Confident	128 Å²	128	67 Å²	67	56%	0.561	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-83	-13.1	178.7	-56.8	-74.4	0	0	0	113.6	S273	S273-F275 PolarHBondContact O-N 2.71Å; S273-F275 WeakPolarHBondContact OG-CB 3.36Å; S273-F275 PolarHBondContact OG-N 3.07Å
276	N	89.8	Confident	89.7	Confident	1 Å²	1	73 Å²	73	1%	0.005	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-109.3	40.2	177.4	-68.7	-29	0	0	0	111.7	E267 L268 G271 S273 Y278 T299 L300	E267-N276 PolarHBondContact O-ND2 3.14Å; E267-N276 VanDerWaalsContact O-ND2 3.09Å; E267-N276 PolarHBondContact O-OD1 3.03Å; L268-N276 PolarHBondContact O-ND2 3.19Å; G271-N276 PolarHBondContact O-ND2 3.28Å; S273-N276 PolarHBondContact O-N 2.92Å; N276-Y278 HydrophobicContact CB-CE2 4.3Å; N276-Y278 PolarHBondContact OD1-OH 3.02Å; N276-T299 WeakPolarHBondContact O-CA 3.44Å; N276-L300 HydrophobicContact CB-CB 3.73Å; N276-L300 HydrophobicContact CB-CD2 3.96Å; N276-L300 PolarHBondContact O-N 3.41Å
277	V	94.6	Very high	89.5	Confident	68 Å²	68	70.9 Å²	70.9	41%	0.412	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.5	167.6	-177.6	0	0	0	0	107.4	T299	V277-T299 HydrophobicContact CG2-CG2 4.01Å
278	Y	96.3	Very high	89.3	Confident	19 Å²	19	75.8 Å²	75.8	8%	0.075	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.5	-172.2	-52.4	-82.6	0	0	0	110.5	F177 F261 T263 L268 N276 V280 T297 V298	F177-Y278 HydrophobicContact CE1-CE2 4.43Å; F261-Y278 VanDerWaalsContact CD2-CB 3.44Å; F261-Y278 AromaticContact CD2-CD1 3.51Å; F261-Y278 HydrophobicContact CD2-CD1 3.51Å; F261-Y278 AromaticContact CD2-CD2 3.9Å; F261-Y278 HydrophobicContact CD2-CD2 3.9Å; F261-Y278 HydrophobicContact CD2-CE1 4.2Å; F261-Y278 AromaticContact CD2-CG 3.32Å; F261-Y278 HydrophobicContact CD2-CG 3.32Å; F261-Y278 AromaticContact CE2-CD1 3.84Å; F261-Y278 HydrophobicContact CE2-CD1 3.84Å; F261-Y278 AromaticContact CE2-CD2 3.42Å; F261-Y278 HydrophobicContact CE2-CD2 3.42Å; F261-Y278 VanDerWaalsContact CE2-CD2 3.42Å; F261-Y278 HydrophobicContact CE2-CE1 4.25Å; F261-Y278 AromaticContact CE2-CE2 3.87Å; F261-Y278 HydrophobicContact CE2-CE2 3.87Å; F261-Y278 AromaticContact CE2-CG 3.39Å; F261-Y278 HydrophobicContact CE2-CG 3.39Å; F261-Y278 HydrophobicContact CG-CD1 4.37Å; F261-Y278 AromaticContact CG-CG 3.98Å; F261-Y278 HydrophobicContact CG-CG 3.98Å; F261-Y278 AromaticContact CZ-CD2 3.87Å; F261-Y278 HydrophobicContact CZ-CD2 3.87Å; F261-Y278 HydrophobicContact CZ-CE2 4.5Å; F261-Y278 HydrophobicContact CZ-CG 4.09Å; T263-Y278 HydrophobicContact CG2-CE1 4.44Å; T263-Y278 WeakPolarHBondContact OG1-CE1 3.4Å; T263-Y278 PolarHBondContact OG1-OH 3.31Å; L268-Y278 WeakPolarHBondContact CD2-OH 3.08Å; N276-Y278 HydrophobicContact CB-CE2 4.3Å; N276-Y278 PolarHBondContact OD1-OH 3.02Å; Y278-V280 PolarHBondContact O-N 3.43Å; Y278-T297 CarbonylContact O-C 3.58Å; Y278-T297 WeakPolarHBondContact O-CA 3.37Å; Y278-V298 PolarHBondContact N-O 3.38Å; Y278-V298 PolarHBondContact O-N 2.92Å
279	E	96.7	Very high	89.1	Confident	111 Å²	111	81.7 Å²	81.7	52%	0.519	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.2	168.9	-63.7	-159.1	123.3	0	0	110	V281 N294	E279-V281 PolarHBondContact O-N 2.96Å; E279-N294 HydrophobicContact CB-CB 4.08Å; E279-N294 PolarHBondContact OE1-ND2 2.92Å
280	V	97.4	Very high	88.6	Confident	0 Å²	0	89.8 Å²	89.8	0%	0	44%	0.438	C	S	.	.			trans	-81.5	113.3	177.8	-179.1	0	0	0	0	108.5	L182 V246 I258 Y278 Y292 N294 S295 G296 V298	L182-V280 HydrophobicContact CD2-CG2 4.25Å; V246-V280 HydrophobicContact CB-CG1 4.25Å; V246-V280 HydrophobicContact CG2-CG1 3.84Å; V246-V280 HydrophobicContact CG2-CG2 4.04Å; I258-V280 HydrophobicContact CG2-CG1 4.35Å; Y278-V280 PolarHBondContact O-N 3.43Å; V280-Y292 PolarHBondContact O-OH 2.92Å; V280-N294 WeakPolarHBondContact O-CB 3.21Å; V280-S295 PolarHBondContact O-N 3.22Å; V280-G296 WeakPolarHBondContact CB-O 3.46Å; V280-G296 PolarHBondContact N-O 3.43Å; V280-V298 HydrophobicContact CG2-CB 4.36Å; V280-V298 HydrophobicContact CG2-CG2 3.62Å
281	V	97.4	Very high	88.6	Confident	35 Å²	35	92.4 Å²	92.4	21%	0.212	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-106.6	126.6	-174.5	178.9	0	0	0	0	110.5	G259 E260 E279 P283 K286 Y292	G259-V281 CarbonylContact C-O 3.59Å; G259-V281 VanDerWaalsContact CA-O 3.27Å; G259-V281 WeakPolarHBondContact CA-O 3.4Å; E260-V281 PolarHBondContact N-O 3.07Å; E260-V281 PolarHBondContact O-N 2.94Å; E279-V281 PolarHBondContact O-N 2.96Å; V281-P283 WeakPolarHBondContact O-CD 3.37Å; V281-K286 HydrophobicContact CG1-CD 3.88Å; V281-Y292 HydrophobicContact CG1-CE1 4.37Å
282	N	96.6	Very high	89	Confident	9 Å²	9	93.6 Å²	93.6	5%	0.048	45%	0.454	C	S	.	.			trans	-97.6	109.6	169	-170.8	-60.7	0	0	0	109.4	F257 I258 K284 K285 K286 Y292	F257-N282 PolarHBondContact O-ND2 3.05Å; I258-N282 WeakPolarHBondContact O-CB 3.39Å; I258-N282 PolarHBondContact O-ND2 3.03Å; N282-K284 VanDerWaalsContact C-N 3.26Å; N282-K284 PolarHBondContact O-N 2.86Å; N282-K284 WeakPolarHBondContact OD1-CB 3.46Å; N282-K284 PolarHBondContact OD1-N 3.25Å; N282-K284 VanDerWaalsContact OD1-N 3.16Å; N282-K285 HydrophobicContact CB-CB 4.01Å; N282-K285 HydrophobicContact CB-CD 4Å; N282-K285 HydrophobicContact CB-CG 4.02Å; N282-K285 PolarHBondContact O-N 2.95Å; N282-K285 VanDerWaalsContact O-N 3.08Å; N282-K285 PolarHBondContact OD1-N 2.78Å; N282-K285 VanDerWaalsContact OD1-N 3.1Å; N282-K286 PolarHBondContact O-N 2.64Å; N282-Y292 PolarHBondContact N-OH 3.46Å
283	P	93.4	Very high	89.6	Confident	65 Å²	65	91.7 Å²	91.7	42%	0.422	45%	0.452	S	S	.	.	H	α-helix	trans	-58.9	-37.1	-175.9	-25.9	35.7	0	0	0	112.8	E260 V281 K286 G287	E260-P283 WeakPolarHBondContact OE1-CG 3.45Å; V281-P283 WeakPolarHBondContact O-CD 3.37Å; P283-K286 PolarHBondContact O-N 3.42Å; P283-G287 PolarHBondContact O-N 2.9Å
284	K	92.4	Very high	90.5	Very high	163 Å²	163	91.7 Å²	91.7	71%	0.709	45%	0.449	S	S	*	.	H	α-helix	trans	-65.7	-39.3	177.9	-63.6	179.1	-179.6	173.2	0	111.7	N282 K288	N282-K284 VanDerWaalsContact C-N 3.26Å; N282-K284 PolarHBondContact O-N 2.86Å; N282-K284 WeakPolarHBondContact OD1-CB 3.46Å; N282-K284 PolarHBondContact OD1-N 3.25Å; N282-K284 VanDerWaalsContact OD1-N 3.16Å; K284-K288 WeakPolarHBondContact O-CB 3.44Å; K284-K288 VanDerWaalsContact O-CG 3.29Å; K284-K288 WeakPolarHBondContact O-CG 3.19Å; K284-K288 PolarHBondContact O-N 2.8Å
285	K	91.4	Very high	91.5	Very high	41 Å²	41	84 Å²	84	18%	0.178	41%	0.413	C	S	.	.	H	α-helix	trans	-72	-42.4	176	-67	-179.5	179	170.5	0	111.5	D183 N282 G287 K288 K289 Y292	D183-K285 IonicContact OD2-NZ 2.54Å; D183-K285 PolarHBondContact OD2-NZ 2.86Å; N282-K285 HydrophobicContact CB-CB 4.01Å; N282-K285 HydrophobicContact CB-CD 4Å; N282-K285 HydrophobicContact CB-CG 4.02Å; N282-K285 PolarHBondContact O-N 2.95Å; N282-K285 VanDerWaalsContact O-N 3.08Å; N282-K285 PolarHBondContact OD1-N 2.78Å; N282-K285 VanDerWaalsContact OD1-N 3.1Å; K285-G287 VanDerWaalsContact C-N 3.31Å; K285-G287 PolarHBondContact O-N 3.38Å; K285-K288 PolarHBondContact O-N 2.89Å; K285-K288 VanDerWaalsContact O-N 3.09Å; K285-K289 WeakPolarHBondContact O-CB 3.19Å; K285-K289 PolarHBondContact O-N 2.99Å; K285-Y292 HydrophobicContact CB-CD2 3.75Å; K285-Y292 HydrophobicContact CB-CE2 3.76Å; K285-Y292 HydrophobicContact CB-CG 4.2Å; K285-Y292 HydrophobicContact CD-CD2 4.34Å; K285-Y292 HydrophobicContact CD-CE2 3.92Å; K285-Y292 HydrophobicContact CG-CE2 4.49Å
286	K	90.4	Very high	92.7	Very high	142 Å²	142	78 Å²	78	62%	0.617	39%	0.387	S	S	*	.	H	α-helix	trans	-58.7	-41.1	177.9	-170.2	173.2	-178.4	175.6	0	112	V281 N282 P283 Y292	V281-K286 HydrophobicContact CG1-CD 3.88Å; N282-K286 PolarHBondContact O-N 2.64Å; P283-K286 PolarHBondContact O-N 3.42Å; K286-Y292 HydrophobicContact CB-CD1 3.91Å; K286-Y292 HydrophobicContact CB-CE1 4.12Å; K286-Y292 HydrophobicContact CG-CD1 4.35Å
287	G	88.6	Confident	93	Very high	73 Å²	73	79.4 Å²	79.4	75%	0.753	40%	0.396	S	S	*	.	H	α-helix	trans	-71.2	-25.1	175.6	0	0	0	0	0	114.9	P283 K285	P283-G287 PolarHBondContact O-N 2.9Å; K285-G287 VanDerWaalsContact C-N 3.31Å; K285-G287 PolarHBondContact O-N 3.38Å
288	K	90.9	Very high	93.2	Very high	180 Å²	180	76.2 Å²	76.2	78%	0.783	38%	0.376	S	S	*	.	H	α-helix	trans	-99.9	-31	-174.2	-71.7	-179	-179.8	-174.9	0	114.6	K284 K285	K284-K288 WeakPolarHBondContact O-CB 3.44Å; K284-K288 VanDerWaalsContact O-CG 3.29Å; K284-K288 WeakPolarHBondContact O-CG 3.19Å; K284-K288 PolarHBondContact O-N 2.8Å; K285-K288 PolarHBondContact O-N 2.89Å; K285-K288 VanDerWaalsContact O-N 3.09Å
289	K	88.8	Confident	93.2	Very high	124 Å²	124	77 Å²	77	54%	0.539	38%	0.383	S	S	.	.			trans	-114.9	110.6	-169.4	-69.4	-174.8	179.7	-174.3	0	111.1	K285 K291 Y292	K285-K289 WeakPolarHBondContact O-CB 3.19Å; K285-K289 PolarHBondContact O-N 2.99Å; K289-K291 PolarHBondContact O-N 3.48Å; K289-K291 VanDerWaalsContact O-N 3.15Å; K289-Y292 WeakPolarHBondContact O-CB 3.46Å; K289-Y292 PolarHBondContact O-N 3.35Å; K289-Y292 VanDerWaalsContact O-N 3.12Å
290	K	82.6	Confident	93.2	Very high	222 Å²	222	71.9 Å²	71.9	97%	0.965	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.9	179.4	-77.1	-172.7	176.5	-178.5	0	115.3
291	K	89.1	Confident	93.1	Very high	201 Å²	201	74 Å²	74	87%	0.874	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	17.4	179.7	-66	-172.3	178.5	-176.9	0	113.4	K289 T293	K289-K291 PolarHBondContact O-N 3.48Å; K289-K291 VanDerWaalsContact O-N 3.15Å; K291-T293 PolarHBondContact O-N 3.3Å
292	Y	91.1	Very high	92.9	Very high	40 Å²	40	74.3 Å²	74.3	16%	0.157	37%	0.374	C	S	.	.			trans	-72	125.9	177.2	174	-96.7	0	0	0	110.5	V280 V281 N282 K285 K286 K289 N294 S295	V280-Y292 PolarHBondContact O-OH 2.92Å; V281-Y292 HydrophobicContact CG1-CE1 4.37Å; N282-Y292 PolarHBondContact N-OH 3.46Å; K285-Y292 HydrophobicContact CB-CD2 3.75Å; K285-Y292 HydrophobicContact CB-CE2 3.76Å; K285-Y292 HydrophobicContact CB-CG 4.2Å; K285-Y292 HydrophobicContact CD-CD2 4.34Å; K285-Y292 HydrophobicContact CD-CE2 3.92Å; K285-Y292 HydrophobicContact CG-CE2 4.49Å; K286-Y292 HydrophobicContact CB-CD1 3.91Å; K286-Y292 HydrophobicContact CB-CE1 4.12Å; K286-Y292 HydrophobicContact CG-CD1 4.35Å; K289-Y292 WeakPolarHBondContact O-CB 3.46Å; K289-Y292 PolarHBondContact O-N 3.35Å; K289-Y292 VanDerWaalsContact O-N 3.12Å; Y292-N294 WeakPolarHBondContact CE2-O 3.49Å; Y292-N294 VanDerWaalsContact CZ-C 3.47Å; Y292-N294 VanDerWaalsContact CZ-CA 3.49Å; Y292-N294 WeakPolarHBondContact OH-CA 3.36Å; Y292-S295 PolarHBondContact OH-N 3.24Å; Y292-S295 PolarHBondContact OH-OG 3.02Å
293	T	90.1	Very high	92.8	Very high	105 Å²	105	75.3 Å²	75.3	64%	0.644	38%	0.378	S	S	*	.			trans	-95.8	-69.3	174.2	48.5	0	0	0	0	109.9	K291	K291-T293 PolarHBondContact O-N 3.3Å
294	N	95.1	Very high	92.7	Very high	38 Å²	38	76.5 Å²	76.5	20%	0.203	38%	0.381	C	S	.	.			trans	-156.4	177.2	178	59.7	48.2	0	0	0	109.9	E279 V280 Y292 G296	E279-N294 HydrophobicContact CB-CB 4.08Å; E279-N294 PolarHBondContact OE1-ND2 2.92Å; V280-N294 WeakPolarHBondContact O-CB 3.21Å; Y292-N294 WeakPolarHBondContact CE2-O 3.49Å; Y292-N294 VanDerWaalsContact CZ-C 3.47Å; Y292-N294 VanDerWaalsContact CZ-CA 3.49Å; Y292-N294 WeakPolarHBondContact OH-CA 3.36Å; N294-G296 PolarHBondContact OD1-N 3.08Å; N294-G296 PolarHBondContact OD1-O 3.46Å
295	S	96.7	Very high	92.5	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-107.1	34.4	175	-57.7	0	0	0	0	110.3	L182 D183 I258 V280 Y292	L182-S295 WeakPolarHBondContact CA-O 3.22Å; D183-S295 PolarHBondContact N-O 3.18Å; D183-S295 WeakPolarHBondContact OD2-CB 3.26Å; D183-S295 PolarHBondContact OD2-OG 3.05Å; I258-S295 PolarHBondContact O-OG 3.41Å; V280-S295 PolarHBondContact O-N 3.22Å; Y292-S295 PolarHBondContact OH-N 3.24Å; Y292-S295 PolarHBondContact OH-OG 3.02Å
296	G	97	Very high	92.2	Very high	2 Å²	2	73.2 Å²	73.2	2%	0.021	37%	0.372	C	S	.	.			trans	104.1	-175.3	-171.5	0	0	0	0	0	113.4	N180 K181 V280 N294	N180-G296 WeakPolarHBondContact O-CA 3.43Å; K181-G296 WeakPolarHBondContact O-CA 3.21Å; V280-G296 WeakPolarHBondContact CB-O 3.46Å; V280-G296 PolarHBondContact N-O 3.43Å; N294-G296 PolarHBondContact OD1-N 3.08Å; N294-G296 PolarHBondContact OD1-O 3.46Å
297	T	97.5	Very high	91.7	Very high	30 Å²	30	70.6 Å²	70.6	18%	0.184	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146	177.8	58.1	0	0	0	0	111.2	A179 N180 Y278	A179-T297 CarbonylContact C-O 3.48Å; A179-T297 WeakPolarHBondContact CA-O 3.46Å; A179-T297 WeakPolarHBondContact CB-O 3.15Å; N180-T297 PolarHBondContact N-O 3.13Å; N180-T297 PolarHBondContact O-N 3.2Å; Y278-T297 CarbonylContact O-C 3.58Å; Y278-T297 WeakPolarHBondContact O-CA 3.37Å
298	V	97.8	Very high	91	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.3	171	170.4	0	0	0	0	108.8	F177 C178 A179 L195 V246 F261 Y278 V280	F177-V298 HydrophobicContact CB-CG1 4.46Å; F177-V298 HydrophobicContact CD1-CG1 3.65Å; F177-V298 HydrophobicContact CE1-CG1 4.34Å; F177-V298 HydrophobicContact CG-CG1 4.44Å; C178-V298 CarbonylContact O-C 3.5Å; C178-V298 WeakPolarHBondContact O-CA 3.35Å; A179-V298 HydrophobicContact CB-CG2 3.89Å; L195-V298 HydrophobicContact CD2-CG2 4.36Å; V246-V298 HydrophobicContact CG2-CG2 4.11Å; F261-V298 HydrophobicContact CE1-CB 3.73Å; F261-V298 HydrophobicContact CE1-CG1 3.85Å; F261-V298 HydrophobicContact CE1-CG2 3.96Å; F261-V298 HydrophobicContact CZ-CB 4.13Å; F261-V298 HydrophobicContact CZ-CG1 3.81Å; Y278-V298 PolarHBondContact N-O 3.38Å; Y278-V298 PolarHBondContact O-N 2.92Å; V280-V298 HydrophobicContact CG2-CB 4.36Å; V280-V298 HydrophobicContact CG2-CG2 3.62Å
299	T	96.9	Very high	90.6	Very high	36 Å²	36	65 Å²	65	22%	0.221	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.5	-177.5	-58.4	0	0	0	0	110.3	F177 C178 N276 V277 L301	F177-T299 WeakPolarHBondContact CA-O 3.39Å; C178-T299 PolarHBondContact N-O 2.98Å; C178-T299 PolarHBondContact O-N 2.77Å; N276-T299 WeakPolarHBondContact O-CA 3.44Å; V277-T299 HydrophobicContact CG2-CG2 4.01Å; T299-L301 PolarHBondContact O-N 3.27Å
300	L	96.6	Very high	90.5	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	114.6	169.3	-176	67.9	0	0	0	109.7	M175 F177 L268 N276 S302 F303	M175-L300 HydrophobicContact CB-CD1 4.18Å; M175-L300 HydrophobicContact CG-CD1 4.38Å; M175-L300 HydrophobicContact SD-CD1 4.46Å; F177-L300 HydrophobicContact CD1-CB 4.28Å; F177-L300 HydrophobicContact CD1-CD1 4.2Å; F177-L300 HydrophobicContact CD2-CD1 4.13Å; F177-L300 HydrophobicContact CE1-CB 3.94Å; F177-L300 HydrophobicContact CE1-CD1 3.69Å; F177-L300 HydrophobicContact CE1-CG 4.42Å; F177-L300 HydrophobicContact CE2-CD1 3.59Å; F177-L300 HydrophobicContact CG-CD1 4.43Å; F177-L300 HydrophobicContact CZ-CB 4.47Å; F177-L300 HydrophobicContact CZ-CD1 3.37Å; F177-L300 HydrophobicContact CZ-CG 4.47Å; L268-L300 HydrophobicContact CB-CD2 4.42Å; L268-L300 HydrophobicContact CD2-CD1 4.33Å; L268-L300 HydrophobicContact CD2-CD2 3.88Å; L268-L300 WeakPolarHBondContact O-CD2 3.31Å; N276-L300 HydrophobicContact CB-CB 3.73Å; N276-L300 HydrophobicContact CB-CD2 3.96Å; N276-L300 PolarHBondContact O-N 3.41Å; L300-S302 WeakPolarHBondContact CD1-O 3.34Å; L300-F303 HydrophobicContact CD2-CB 4Å; L300-F303 HydrophobicContact CD2-CD2 4.29Å
301	L	94.8	Very high	90.7	Very high	46 Å²	46	50.2 Å²	50.2	24%	0.241	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-29.3	176.6	-66.6	-177.4	0	0	0	112.7	Q176 C178 V222 Q272 T299	Q176-L301 HydrophobicContact CB-CB 4.18Å; Q176-L301 HydrophobicContact CG-CB 4.35Å; Q176-L301 HydrophobicContact CG-CD1 4.29Å; Q176-L301 WeakPolarHBondContact O-CA 3.45Å; Q176-L301 WeakPolarHBondContact O-CB 3.31Å; Q176-L301 PolarHBondContact O-N 3.24Å; C178-L301 HydrophobicContact CB-CD1 3.81Å; C178-L301 HydrophobicContact CB-CG 4.18Å; V222-L301 HydrophobicContact CG1-CD1 4.01Å; Q272-L301 WeakPolarHBondContact CG-O 3.17Å; Q272-L301 PolarHBondContact NE2-O 2.66Å; T299-L301 PolarHBondContact O-N 3.27Å
302	S	93.6	Very high	90.6	Very high	40 Å²	40	41.4 Å²	41.4	28%	0.28	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	149	175.6	63.6	0	0	0	0	110.4	M175 Q176 L300	M175-S302 VanDerWaalsContact CA-O 3.27Å; M175-S302 WeakPolarHBondContact CA-O 3.36Å; Q176-S302 VanDerWaalsContact CB-OG 3.25Å; Q176-S302 WeakPolarHBondContact CB-OG 3.44Å; Q176-S302 PolarHBondContact N-O 3.16Å; Q176-S302 PolarHBondContact N-OG 3.36Å; Q176-S302 PolarHBondContact O-N 3.44Å; L300-S302 WeakPolarHBondContact CD1-O 3.34Å
303	F	93.4	Very high	90.4	Very high	31 Å²	31	40.6 Å²	40.6	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	108.5	173.5	-170.6	-84.5	0	0	0	107.8	V173 M175 Y265 L268 L300 V305	V173-F303 HydrophobicContact CB-CE2 3.94Å; V173-F303 HydrophobicContact CB-CZ 4.02Å; V173-F303 HydrophobicContact CG1-CE1 3.82Å; V173-F303 HydrophobicContact CG1-CE2 3.71Å; V173-F303 HydrophobicContact CG1-CZ 3.27Å; V173-F303 HydrophobicContact CG2-CE2 4.39Å; M175-F303 HydrophobicContact CG-CD2 3.64Å; M175-F303 HydrophobicContact CG-CE2 4.11Å; M175-F303 HydrophobicContact CG-CG 4.49Å; M175-F303 HydrophobicContact SD-CD2 3.61Å; M175-F303 HydrophobicContact SD-CE2 3.65Å; Y265-F303 HydrophobicContact CD2-CZ 4.04Å; Y265-F303 HydrophobicContact CE2-CE1 4.41Å; Y265-F303 AromaticContact CE2-CZ 3.74Å; Y265-F303 HydrophobicContact CE2-CZ 3.74Å; L268-F303 HydrophobicContact CB-CD2 3.73Å; L268-F303 HydrophobicContact CB-CE2 3.41Å; L268-F303 VanDerWaalsContact CB-CE2 3.41Å; L268-F303 HydrophobicContact CB-CZ 4.2Å; L268-F303 WeakPolarHBondContact O-CG 3.16Å; L300-F303 HydrophobicContact CD2-CB 4Å; L300-F303 HydrophobicContact CD2-CD2 4.29Å; F303-V305 HydrophobicContact CD1-CG2 4.19Å; F303-V305 HydrophobicContact CE1-CG2 3.53Å; F303-V305 HydrophobicContact CZ-CG2 4.45Å
304	L	91.4	Very high	90.4	Very high	90 Å²	90	36 Å²	36	47%	0.471	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.7	177.2	179.4	68	0	0	0	108.2	V173 L174 E306	V173-L304 WeakPolarHBondContact CA-O 3.3Å; L174-L304 HydrophobicContact CB-CB 4.3Å; L174-L304 HydrophobicContact CD2-CD2 4.37Å; L174-L304 PolarHBondContact N-O 3.12Å; L174-L304 PolarHBondContact O-N 2.86Å; L304-E306 HydrophobicContact CD2-CG 4.01Å; L304-E306 HydrophobicContact CG-CG 4.07Å
305	V	88.6	Confident	90.1	Very high	60 Å²	60	34.5 Å²	34.5	36%	0.364	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.9	170.5	-174.8	0	0	0	0	107.5	D171 V173 Y265 F303	D171-V305 HydrophobicContact CB-CG1 3.85Å; V173-V305 HydrophobicContact CG1-CG2 4.39Å; Y265-V305 WeakPolarHBondContact OH-CG2 3.41Å; F303-V305 HydrophobicContact CD1-CG2 4.19Å; F303-V305 HydrophobicContact CE1-CG2 3.53Å; F303-V305 HydrophobicContact CZ-CG2 4.45Å
306	E	84.5	Confident	89.6	Confident	75 Å²	75	37.3 Å²	37.3	35%	0.35	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.2	172.6	-65.1	-174.9	161.6	0	0	108.3	A172 K227 L304 E308	A172-E306 PolarHBondContact N-O 3.48Å; A172-E306 PolarHBondContact O-N 2.73Å; K227-E306 IonicContact NZ-OE2 3.13Å; L304-E306 HydrophobicContact CD2-CG 4.01Å; L304-E306 HydrophobicContact CG-CG 4.07Å; E306-E308 PolarHBondContact O-N 2.92Å
307	T	80	Confident	89	Confident	86 Å²	86	38 Å²	38	53%	0.528	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117.5	166.9	-53.9	0	0	0	0	108.1	R170 D171 V309	R170-T307 HydrophobicContact CB-CG2 3.83Å; D171-T307 WeakPolarHBondContact OD1-CA 3.2Å; D171-T307 WeakPolarHBondContact OD1-CB 3.24Å; D171-T307 PolarHBondContact OD1-OG1 2.67Å; T307-V309 PolarHBondContact O-N 2.78Å
308	E	75.6	Confident	88.6	Confident	86 Å²	86	38.4 Å²	38.4	40%	0.402	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-67.4	121.8	172.1	-60.5	-164.4	144.8	0	0	108.7	R170 A172 K227 E306	R170-E308 VanDerWaalsContact O-CB 3.29Å; R170-E308 WeakPolarHBondContact O-CB 3.49Å; R170-E308 WeakPolarHBondContact O-CG 3.44Å; R170-E308 PolarHBondContact O-N 2.74Å; A172-E308 HydrophobicContact CB-CG 3.88Å; K227-E308 WeakPolarHBondContact CE-OE1 3.36Å; K227-E308 IonicContact NZ-OE1 2.75Å; K227-E308 PolarHBondContact NZ-OE1 2.64Å; E306-E308 PolarHBondContact O-N 2.92Å
309	V	82.4	Confident	88.2	Confident	51 Å²	51	39 Å²	39	31%	0.309	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-87.6	124.8	175.3	-176.6	0	0	0	0	107.9	T307 D313 Y314 P559	T307-V309 PolarHBondContact O-N 2.78Å; V309-D313 HydrophobicContact CG1-CB 3.7Å; V309-Y314 HydrophobicContact CB-CE2 4.15Å; V309-Y314 HydrophobicContact CG1-CD2 3.77Å; V309-Y314 HydrophobicContact CG1-CE2 3.24Å; V309-P559 HydrophobicContact CG1-CB 4.32Å; V309-P559 HydrophobicContact CG1-CG 3.62Å; V309-P559 HydrophobicContact CG2-CG 4.4Å
310	S	85.5	Confident	87.9	Confident	20 Å²	20	40.5 Å²	40.5	14%	0.14	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-85.4	164.7	177.1	77.1	0	0	0	0	111.5	E165 L312 D313 Y314	E165-S310 WeakPolarHBondContact OE2-CB 3.37Å; E165-S310 PolarHBondContact OE2-OG 3.42Å; S310-L312 VanDerWaalsContact C-N 3.26Å; S310-L312 PolarHBondContact O-N 3.43Å; S310-L312 PolarHBondContact OG-N 2.75Å; S310-D313 PolarHBondContact N-OD2 3.27Å; S310-D313 WeakPolarHBondContact O-CB 3.08Å; S310-D313 PolarHBondContact O-N 3.05Å; S310-D313 PolarHBondContact OG-N 3.29Å; S310-D313 PolarHBondContact OG-OD2 3.48Å; S310-Y314 WeakPolarHBondContact O-CD2 3.47Å
311	F	87.9	Confident	87.6	Confident	14 Å²	14	40.4 Å²	40.4	6%	0.061	23%	0.228	C	C	.	.	H	α-helix	trans	-55.9	-43.8	170.7	172.7	-104.9	0	0	0	111.5	F100 D313 Y314 I315 I321 Y367 P545 F548 L549	F100-F311 HydrophobicContact CD2-CD1 4.37Å; F100-F311 AromaticContact CD2-CE1 3.57Å; F100-F311 HydrophobicContact CD2-CE1 3.57Å; F100-F311 HydrophobicContact CD2-CZ 4.05Å; F100-F311 AromaticContact CE2-CE1 3.75Å; F100-F311 HydrophobicContact CE2-CE1 3.75Å; F100-F311 AromaticContact CE2-CZ 3.75Å; F100-F311 HydrophobicContact CE2-CZ 3.75Å; F100-F311 HydrophobicContact CG-CE1 4.48Å; F100-F311 HydrophobicContact CZ-CZ 4.5Å; F311-D313 VanDerWaalsContact C-N 3.26Å; F311-D313 PolarHBondContact O-N 2.89Å; F311-Y314 PolarHBondContact O-N 3.39Å; F311-Y314 VanDerWaalsContact O-N 3.11Å; F311-I315 HydrophobicContact CD1-CG1 4.16Å; F311-I315 HydrophobicContact CE1-CD1 4.16Å; F311-I315 HydrophobicContact CE1-CG1 3.72Å; F311-I315 HydrophobicContact CE2-CD1 4.12Å; F311-I315 HydrophobicContact CE2-CG1 4.3Å; F311-I315 HydrophobicContact CZ-CD1 3.72Å; F311-I315 HydrophobicContact CZ-CG1 3.8Å; F311-I315 PolarHBondContact O-N 3.27Å; F311-I321 HydrophobicContact CE2-CD1 4.17Å; F311-I321 HydrophobicContact CZ-CD1 4.34Å; F311-I321 HydrophobicContact CZ-CG1 4.32Å; F311-Y367 HydrophobicContact CE1-CD1 4.36Å; F311-Y367 HydrophobicContact CE1-CE1 4.35Å; F311-P545 HydrophobicContact CB-CB 4.07Å; F311-P545 HydrophobicContact CD2-CB 4.23Å; F311-P545 HydrophobicContact CG-CB 4.04Å; F311-F548 HydrophobicContact CD2-CB 4.27Å; F311-F548 AromaticContact CD2-CD1 3.68Å; F311-F548 HydrophobicContact CD2-CD1 3.68Å; F311-F548 HydrophobicContact CD2-CD2 4.47Å; F311-F548 HydrophobicContact CD2-CE1 4.12Å; F311-F548 AromaticContact CD2-CG 3.9Å; F311-F548 HydrophobicContact CD2-CG 3.9Å; F311-F548 HydrophobicContact CE2-CB 4.36Å; F311-F548 HydrophobicContact CE2-CD1 4.18Å; F311-F548 HydrophobicContact CE2-CD2 4.16Å; F311-F548 AromaticContact CE2-CG 3.99Å; F311-F548 HydrophobicContact CE2-CG 3.99Å; F311-L549 HydrophobicContact CB-CD1 4.5Å
312	L	86.8	Confident	87.5	Confident	16 Å²	16	39.4 Å²	39.4	8%	0.084	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-27.1	-179.9	-67.6	-175.1	0	0	0	113.4	T37 V39 Y98 V137 E165 S310 Y314 I315 K316	T37-L312 HydrophobicContact CG2-CD1 3.89Å; V39-L312 HydrophobicContact CG2-CD1 4.28Å; Y98-L312 HydrophobicContact CD1-CD1 4Å; Y98-L312 HydrophobicContact CE1-CD1 3.9Å; Y98-L312 HydrophobicContact CE1-CD2 3.82Å; Y98-L312 HydrophobicContact CE1-CG 4.04Å; V137-L312 HydrophobicContact CB-CD2 4.13Å; V137-L312 HydrophobicContact CG2-CD2 4.11Å; E165-L312 HydrophobicContact CG-CD1 4.47Å; S310-L312 VanDerWaalsContact C-N 3.26Å; S310-L312 PolarHBondContact O-N 3.43Å; S310-L312 PolarHBondContact OG-N 2.75Å; L312-Y314 VanDerWaalsContact C-N 3.29Å; L312-Y314 PolarHBondContact O-N 3.5Å; L312-I315 PolarHBondContact O-N 2.82Å; L312-K316 VanDerWaalsContact O-CB 3.24Å; L312-K316 WeakPolarHBondContact O-CB 3.34Å; L312-K316 PolarHBondContact O-N 3.29Å
313	D	86.9	Confident	87.6	Confident	24 Å²	24	37.5 Å²	37.5	13%	0.128	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-38.3	174.4	-72.3	-35.9	0	0	0	112.1	R170 V309 S310 F311 G317 P559	R170-D313 IonicContact CZ-OD1 3.95Å; R170-D313 IonicContact CZ-OD2 3.57Å; R170-D313 IonicContact NH1-OD1 3.64Å; R170-D313 PolarHBondContact NH1-OD1 3.48Å; R170-D313 IonicContact NH1-OD2 2.75Å; R170-D313 PolarHBondContact NH1-OD2 3.32Å; R170-D313 VanDerWaalsContact NH1-OD2 3.08Å; R170-D313 IonicContact NH2-OD1 2.83Å; R170-D313 PolarHBondContact NH2-OD1 3.36Å; R170-D313 IonicContact NH2-OD2 3.49Å; V309-D313 HydrophobicContact CG1-CB 3.7Å; S310-D313 PolarHBondContact N-OD2 3.27Å; S310-D313 WeakPolarHBondContact O-CB 3.08Å; S310-D313 PolarHBondContact O-N 3.05Å; S310-D313 PolarHBondContact OG-N 3.29Å; S310-D313 PolarHBondContact OG-OD2 3.48Å; F311-D313 VanDerWaalsContact C-N 3.26Å; F311-D313 PolarHBondContact O-N 2.89Å; D313-G317 PolarHBondContact O-N 3.01Å; D313-P559 HydrophobicContact CB-CB 4.11Å; D313-P559 HydrophobicContact CB-CG 4.14Å
314	Y	90.3	Very high	87.7	Confident	8 Å²	8	36.4 Å²	36.4	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-71.1	-42.7	176.7	-73.4	-88.7	0	0	0	112	V309 S310 F311 L312 G317 G318 T319 F548 L549 M552 I557 P559	V309-Y314 HydrophobicContact CB-CE2 4.15Å; V309-Y314 HydrophobicContact CG1-CD2 3.77Å; V309-Y314 HydrophobicContact CG1-CE2 3.24Å; S310-Y314 WeakPolarHBondContact O-CD2 3.47Å; F311-Y314 PolarHBondContact O-N 3.39Å; F311-Y314 VanDerWaalsContact O-N 3.11Å; L312-Y314 VanDerWaalsContact C-N 3.29Å; L312-Y314 PolarHBondContact O-N 3.5Å; Y314-G317 CarbonylContact O-C 3.55Å; Y314-G317 WeakPolarHBondContact O-CA 3.07Å; Y314-G317 PolarHBondContact O-N 3.23Å; Y314-G318 PolarHBondContact O-N 2.75Å; Y314-T319 WeakPolarHBondContact O-CB 3.41Å; Y314-T319 PolarHBondContact O-N 3.35Å; Y314-T319 PolarHBondContact O-OG1 3.26Å; Y314-F548 HydrophobicContact CD1-CE1 4.11Å; Y314-F548 HydrophobicContact CD1-CZ 4.03Å; Y314-F548 AromaticContact CD2-CE1 3.53Å; Y314-F548 HydrophobicContact CD2-CE1 3.53Å; Y314-F548 HydrophobicContact CD2-CZ 4.18Å; Y314-F548 HydrophobicContact CE2-CE1 4.13Å; Y314-F548 AromaticContact CG-CE1 3.5Å; Y314-F548 HydrophobicContact CG-CE1 3.5Å; Y314-F548 AromaticContact CG-CZ 3.66Å; Y314-F548 HydrophobicContact CG-CZ 3.66Å; Y314-L549 HydrophobicContact CD2-CD2 4.14Å; Y314-L549 HydrophobicContact CE2-CD2 3.81Å; Y314-M552 HydrophobicContact CD1-CE 4.28Å; Y314-M552 HydrophobicContact CD1-CG 4.21Å; Y314-M552 HydrophobicContact CD1-SD 4.42Å; Y314-M552 HydrophobicContact CE1-CB 4.01Å; Y314-M552 HydrophobicContact CE1-CE 4.5Å; Y314-M552 HydrophobicContact CE1-CG 3.74Å; Y314-M552 HydrophobicContact CE1-SD 4.06Å; Y314-M552 HydrophobicContact CE2-CB 4.28Å; Y314-M552 HydrophobicContact CE2-CG 4.29Å; Y314-M552 WeakPolarHBondContact OH-CB 3.39Å; Y314-I557 HydrophobicContact CE1-CG2 4.17Å; Y314-I557 PolarHBondContact OH-O 3.04Å; Y314-P559 HydrophobicContact CD1-CB 4.06Å; Y314-P559 HydrophobicContact CD2-CB 4.48Å; Y314-P559 HydrophobicContact CE1-CB 4.23Å; Y314-P559 HydrophobicContact CG-CB 4.17Å
315	I	88.7	Confident	88	Confident	6 Å²	6	32.1 Å²	32.1	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-47.8	176.6	-59.1	-55.2	0	0	0	110.3	F311 L312 G317 G318 I321 Y367	F311-I315 HydrophobicContact CD1-CG1 4.16Å; F311-I315 HydrophobicContact CE1-CD1 4.16Å; F311-I315 HydrophobicContact CE1-CG1 3.72Å; F311-I315 HydrophobicContact CE2-CD1 4.12Å; F311-I315 HydrophobicContact CE2-CG1 4.3Å; F311-I315 HydrophobicContact CZ-CD1 3.72Å; F311-I315 HydrophobicContact CZ-CG1 3.8Å; F311-I315 PolarHBondContact O-N 3.27Å; L312-I315 PolarHBondContact O-N 2.82Å; I315-G317 VanDerWaalsContact C-N 3.26Å; I315-G317 PolarHBondContact O-N 2.87Å; I315-G318 WeakPolarHBondContact O-CA 3.23Å; I315-G318 PolarHBondContact O-N 3.22Å; I315-I321 HydrophobicContact CD1-CD1 4.06Å; I315-I321 HydrophobicContact CD1-CG1 3.82Å; I315-Y367 HydrophobicContact CG1-CD1 4.5Å; I315-Y367 HydrophobicContact CG2-CD1 4.38Å
316	K	84.4	Confident	88.5	Confident	60 Å²	60	29.3 Å²	29.3	26%	0.261	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-35.5	174.8	-175.4	171.6	-177.1	168.8	0	112.5	L312 G318 A562	L312-K316 VanDerWaalsContact O-CB 3.24Å; L312-K316 WeakPolarHBondContact O-CB 3.34Å; L312-K316 PolarHBondContact O-N 3.29Å; K316-G318 PolarHBondContact O-N 2.98Å; K316-A562 HydrophobicContact CG-CB 4.28Å
317	G	85.9	Confident	89.1	Confident	15 Å²	15	25.7 Å²	25.7	16%	0.155	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.3	172.5	0	0	0	0	0	114.5	D313 Y314 I315 S560	D313-G317 PolarHBondContact O-N 3.01Å; Y314-G317 CarbonylContact O-C 3.55Å; Y314-G317 WeakPolarHBondContact O-CA 3.07Å; Y314-G317 PolarHBondContact O-N 3.23Å; I315-G317 VanDerWaalsContact C-N 3.26Å; I315-G317 PolarHBondContact O-N 2.87Å; G317-S560 WeakPolarHBondContact CA-O 3.44Å; G317-S560 WeakPolarHBondContact O-CB 3.09Å
318	G	87.8	Confident	89.9	Confident	40 Å²	40	21.6 Å²	21.6	41%	0.412	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	17.4	177.6	0	0	0	0	0	114.7	Y314 I315 K316 Q320	Y314-G318 PolarHBondContact O-N 2.75Å; I315-G318 WeakPolarHBondContact O-CA 3.23Å; I315-G318 PolarHBondContact O-N 3.22Å; K316-G318 PolarHBondContact O-N 2.98Å; G318-Q320 PolarHBondContact O-N 2.97Å
319	T	91.1	Very high	91	Very high	11 Å²	11	17.5 Å²	17.5	7%	0.067	10%	0.104	C	C	.	.			trans	-67.9	126.6	170.1	-54.9	0	0	0	0	109.5	Y314 G445 S446 F548 M552	Y314-T319 WeakPolarHBondContact O-CB 3.41Å; Y314-T319 PolarHBondContact O-N 3.35Å; Y314-T319 PolarHBondContact O-OG1 3.26Å; T319-G445 WeakPolarHBondContact CG2-O 3.26Å; T319-G445 PolarHBondContact OG1-O 3.44Å; T319-S446 WeakPolarHBondContact CA-O 3.06Å; T319-F548 HydrophobicContact CG2-CE2 3.72Å; T319-F548 HydrophobicContact CG2-CZ 3.79Å; T319-M552 HydrophobicContact CG2-CE 4.19Å
320	Q	89.4	Confident	91.6	Very high	69 Å²	69	15.2 Å²	15.2	32%	0.322	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.9	180	-68.1	174.9	-13.8	0	0	111.5	G318 S369 S446 Q447 Y448	G318-Q320 PolarHBondContact O-N 2.97Å; Q320-S369 PolarHBondContact NE2-OG 2.97Å; Q320-S446 PolarHBondContact N-O 2.89Å; Q320-Q447 HydrophobicContact CB-CG 4.42Å; Q320-Q447 CarbonylContact O-C 3.48Å; Q320-Q447 WeakPolarHBondContact O-CA 3.26Å; Q320-Y448 PolarHBondContact O-N 2.89Å
321	I	91.4	Very high	92.1	Very high	1 Å²	1	17 Å²	17	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	106.3	169.9	-52.9	-56.9	0	0	0	108.1	F311 I315 V364 Y367 D368 Y448 V450 F548	F311-I321 HydrophobicContact CE2-CD1 4.17Å; F311-I321 HydrophobicContact CZ-CD1 4.34Å; F311-I321 HydrophobicContact CZ-CG1 4.32Å; I315-I321 HydrophobicContact CD1-CD1 4.06Å; I315-I321 HydrophobicContact CD1-CG1 3.82Å; I321-V364 HydrophobicContact CG2-CG1 4.29Å; I321-Y367 PolarHBondContact N-O 2.96Å; I321-D368 WeakPolarHBondContact O-CB 3.22Å; I321-Y448 CarbonylContact C-O 3.53Å; I321-Y448 WeakPolarHBondContact CA-O 3.28Å; I321-V450 HydrophobicContact CG2-CG2 3.71Å; I321-F548 HydrophobicContact CD1-CD2 4.01Å; I321-F548 HydrophobicContact CD1-CE2 3.95Å
322	N	92.8	Very high	92.4	Very high	24 Å²	24	20 Å²	20	13%	0.128	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.1	178.5	-67.2	-89.7	0	0	0	109.8	Q447 Y448 F449 V450	N322-Q447 WeakPolarHBondContact ND2-CB 3.49Å; N322-Q447 PolarHBondContact ND2-OE1 2.95Å; N322-Y448 PolarHBondContact N-O 3.31Å; N322-F449 HydrophobicContact CB-CD1 3.63Å; N322-F449 HydrophobicContact CB-CE1 3.87Å; N322-F449 HydrophobicContact CB-CG 4.31Å; N322-F449 WeakPolarHBondContact O-CA 3.49Å; N322-V450 PolarHBondContact O-N 3.31Å
323	F	94.2	Very high	92.8	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.6	-178.5	-173.9	-121	0	0	0	112.1	V325 V360 V364 F373 P374 V450 L452	F323-V325 HydrophobicContact CD1-CG2 4.11Å; F323-V325 HydrophobicContact CE1-CG2 3.48Å; F323-V325 VanDerWaalsContact CE1-CG2 3.48Å; F323-V325 HydrophobicContact CZ-CG2 3.91Å; F323-V360 HydrophobicContact CE2-CG1 4.03Å; F323-V360 HydrophobicContact CZ-CG1 3.86Å; F323-V364 HydrophobicContact CB-CG1 3.76Å; F323-V364 HydrophobicContact CD2-CB 4.23Å; F323-V364 HydrophobicContact CD2-CG1 3.71Å; F323-V364 HydrophobicContact CD2-CG2 4.49Å; F323-V364 HydrophobicContact CE2-CG1 4.42Å; F323-V364 HydrophobicContact CE2-CG2 4.43Å; F323-V364 HydrophobicContact CG-CB 4.3Å; F323-V364 HydrophobicContact CG-CG1 3.77Å; F323-F373 HydrophobicContact CB-CD1 3.73Å; F323-F373 HydrophobicContact CB-CE1 3.86Å; F323-F373 HydrophobicContact CD1-CD1 4.12Å; F323-F373 HydrophobicContact CD1-CE1 4.42Å; F323-F373 HydrophobicContact CD1-CG 4.28Å; F323-F373 HydrophobicContact CG-CD1 4.44Å; F323-F373 WeakPolarHBondContact O-CD1 3.24Å; F323-P374 WeakPolarHBondContact O-CD 3.3Å; F323-V450 HydrophobicContact CD2-CB 4.14Å; F323-V450 HydrophobicContact CD2-CG1 4.01Å; F323-V450 HydrophobicContact CE2-CG1 4.21Å; F323-L452 HydrophobicContact CE2-CB 3.67Å; F323-L452 HydrophobicContact CE2-CD2 4.5Å; F323-L452 HydrophobicContact CZ-CB 3.68Å; F323-L452 HydrophobicContact CZ-CD2 3.74Å; F323-L452 HydrophobicContact CZ-CG 4.35Å
324	T	96.4	Very high	93.2	Very high	8 Å²	8	19.7 Å²	19.7	5%	0.049	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.8	175.3	-63.9	0	0	0	0	110	P374 L376 V435 V450 L451 L452	T324-P374 HydrophobicContact CG2-CB 4.06Å; T324-L376 HydrophobicContact CG2-CD1 4.15Å; T324-V435 HydrophobicContact CG2-CG2 3.79Å; T324-V450 PolarHBondContact N-O 3.06Å; T324-L451 HydrophobicContact CG2-CD1 3.87Å; T324-L451 CarbonylContact O-C 3.58Å; T324-L451 WeakPolarHBondContact O-CA 3.42Å; T324-L452 PolarHBondContact O-N 3.35Å
325	V	97.4	Very high	93.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.8	177.3	176.6	0	0	0	0	109.8	F323 I327 L357 P374 L376 V409 L452	F323-V325 HydrophobicContact CD1-CG2 4.11Å; F323-V325 HydrophobicContact CE1-CG2 3.48Å; F323-V325 VanDerWaalsContact CE1-CG2 3.48Å; F323-V325 HydrophobicContact CZ-CG2 3.91Å; V325-I327 HydrophobicContact CG1-CD1 4.2Å; V325-I327 HydrophobicContact CG1-CG1 3.74Å; V325-L357 HydrophobicContact CB-CD2 4.42Å; V325-L357 HydrophobicContact CG1-CD2 3.24Å; V325-L357 HydrophobicContact CG2-CD2 4.32Å; V325-P374 PolarHBondContact N-O 3.4Å; V325-L376 WeakPolarHBondContact O-CB 3.38Å; V325-L376 PolarHBondContact O-N 2.91Å; V325-V409 HydrophobicContact CB-CG1 4.28Å; V325-V409 HydrophobicContact CG1-CG1 4.23Å; V325-V409 HydrophobicContact CG2-CG1 4.25Å; V325-L452 CarbonylContact C-O 3.6Å
326	A	98	Very high	93.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.2	170.9	0	0	0	0	0	109.9	L376 F378 V431 L451 L452 I453 V454	A326-L376 CarbonylContact C-O 3.48Å; A326-L376 VanDerWaalsContact CA-O 3.31Å; A326-L376 WeakPolarHBondContact CA-O 3.35Å; A326-F378 HydrophobicContact CB-CD1 4.23Å; A326-F378 HydrophobicContact CB-CE1 4.18Å; A326-V431 HydrophobicContact CB-CB 4.04Å; A326-V431 HydrophobicContact CB-CG1 4.05Å; A326-V431 HydrophobicContact CB-CG2 4.07Å; A326-L451 HydrophobicContact CB-CD1 3.96Å; A326-L452 PolarHBondContact N-O 2.88Å; A326-I453 HydrophobicContact CB-CG1 4.32Å; A326-I453 WeakPolarHBondContact O-CA 3.37Å; A326-V454 PolarHBondContact O-N 3.16Å
327	I	98.2	Very high	93.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.9	-176.4	-54.3	-179.8	0	0	0	109.7	V325 F329 Y353 L357 L376 G377 F378 L394 Y413	V325-I327 HydrophobicContact CG1-CD1 4.2Å; V325-I327 HydrophobicContact CG1-CG1 3.74Å; I327-F329 HydrophobicContact CB-CD2 4.16Å; I327-F329 HydrophobicContact CB-CE2 3.79Å; I327-F329 HydrophobicContact CG2-CD2 3.88Å; I327-F329 HydrophobicContact CG2-CE2 3.58Å; I327-F329 WeakPolarHBondContact O-CD2 3.39Å; I327-Y353 HydrophobicContact CG2-CD1 3.75Å; I327-Y353 HydrophobicContact CG2-CE1 4.05Å; I327-L357 HydrophobicContact CD1-CD1 3.6Å; I327-L357 HydrophobicContact CD1-CD2 4.16Å; I327-L357 HydrophobicContact CD1-CG 4.45Å; I327-L357 HydrophobicContact CG1-CD1 4.48Å; I327-L357 HydrophobicContact CG1-CD2 4.29Å; I327-L376 PolarHBondContact N-O 3.23Å; I327-G377 CarbonylContact O-C 3.57Å; I327-G377 VanDerWaalsContact O-CA 3.28Å; I327-G377 WeakPolarHBondContact O-CA 3.46Å; I327-F378 VanDerWaalsContact O-CD1 3.26Å; I327-F378 WeakPolarHBondContact O-CD1 3.35Å; I327-F378 PolarHBondContact O-N 3.45Å; I327-L394 HydrophobicContact CB-CD1 4.48Å; I327-L394 HydrophobicContact CD1-CD1 3.53Å; I327-L394 HydrophobicContact CG1-CD1 4.07Å; I327-Y413 HydrophobicContact CD1-CD2 3.51Å; I327-Y413 HydrophobicContact CD1-CE2 4.27Å; I327-Y413 HydrophobicContact CD1-CG 3.8Å; I327-Y413 HydrophobicContact CG2-CD2 4.02Å; I327-Y413 HydrophobicContact CG2-CE2 3.9Å
328	D	97.4	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.5	171.8	-166.8	-22	0	0	0	110.9	T330 H343 Y353 F378 T426 V454 T455	D328-T330 WeakPolarHBondContact OD1-CB 3.36Å; D328-T330 WeakPolarHBondContact OD1-CG2 3.4Å; D328-T330 PolarHBondContact OD1-N 2.79Å; D328-T330 PolarHBondContact OD1-OG1 3.41Å; D328-H343 PolarHBondContact O-CE1 2.88Å; D328-H343 PolarHBondContact O-NE2 3.4Å; D328-Y353 HydrophobicContact CB-CE1 4.18Å; D328-F378 VanDerWaalsContact CA-CZ 3.5Å; D328-F378 HydrophobicContact CB-CE1 4.16Å; D328-F378 HydrophobicContact CB-CE2 3.78Å; D328-F378 HydrophobicContact CB-CZ 3.5Å; D328-T426 WeakPolarHBondContact OD2-CG2 3.28Å; D328-V454 WeakPolarHBondContact CB-O 3.33Å; D328-V454 PolarHBondContact N-O 3.23Å; D328-T455 WeakPolarHBondContact OD2-CB 3.46Å; D328-T455 PolarHBondContact OD2-OG1 3.08Å
329	F	97.4	Very high	94.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.199	C	C	.	.			trans	-120.2	30.6	174.6	-82.6	-112.6	0	0	0	110.7	I327 F378 G379 A380 F392 L394 Y413 L417 V420 L422 Y423	I327-F329 HydrophobicContact CB-CD2 4.16Å; I327-F329 HydrophobicContact CB-CE2 3.79Å; I327-F329 HydrophobicContact CG2-CD2 3.88Å; I327-F329 HydrophobicContact CG2-CE2 3.58Å; I327-F329 WeakPolarHBondContact O-CD2 3.39Å; F329-F378 PolarHBondContact N-O 3.38Å; F329-G379 VanDerWaalsContact O-O 3.13Å; F329-A380 HydrophobicContact CB-CB 3.85Å; F329-F392 HydrophobicContact CB-CZ 4.3Å; F329-F392 HydrophobicContact CD1-CZ 4.33Å; F329-F392 HydrophobicContact CD2-CZ 4.12Å; F329-F392 HydrophobicContact CG-CZ 4.02Å; F329-L394 HydrophobicContact CD2-CD2 4.5Å; F329-L394 HydrophobicContact CE2-CD2 3.62Å; F329-L394 HydrophobicContact CZ-CD2 3.83Å; F329-Y413 HydrophobicContact CE2-CD2 4.05Å; F329-Y413 HydrophobicContact CE2-CE2 4.34Å; F329-Y413 AromaticContact CZ-CD2 3.77Å; F329-Y413 HydrophobicContact CZ-CD2 3.77Å; F329-Y413 HydrophobicContact CZ-CE2 4.13Å; F329-L417 HydrophobicContact CD1-CD2 3.79Å; F329-L417 HydrophobicContact CE1-CB 4.32Å; F329-L417 HydrophobicContact CE1-CD2 3.41Å; F329-L417 VanDerWaalsContact CE1-CD2 3.41Å; F329-L417 HydrophobicContact CE1-CG 3.66Å; F329-L417 HydrophobicContact CZ-CD2 4.09Å; F329-L417 HydrophobicContact CZ-CG 4.04Å; F329-V420 HydrophobicContact CD1-CG2 3.38Å; F329-V420 HydrophobicContact CE1-CG2 3.74Å; F329-V420 HydrophobicContact CG-CG2 4.36Å; F329-L422 HydrophobicContact CB-CD2 3.77Å; F329-L422 HydrophobicContact CD1-CD2 3.65Å; F329-L422 HydrophobicContact CG-CD2 4.09Å; F329-L422 WeakPolarHBondContact O-CA 3.42Å; F329-L422 VanDerWaalsContact O-CB 3.3Å; F329-L422 WeakPolarHBondContact O-CB 3.4Å; F329-L422 VanDerWaalsContact O-CD2 3.24Å; F329-L422 WeakPolarHBondContact O-CD2 3.22Å; F329-Y423 PolarHBondContact O-N 2.9Å
330	T	96.5	Very high	94.5	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-76.5	156.7	177.8	59.2	0	0	0	0	112.6	D328 S332 N333 Y423	D328-T330 WeakPolarHBondContact OD1-CB 3.36Å; D328-T330 WeakPolarHBondContact OD1-CG2 3.4Å; D328-T330 PolarHBondContact OD1-N 2.79Å; D328-T330 PolarHBondContact OD1-OG1 3.41Å; T330-S332 PolarHBondContact O-N 2.87Å; T330-S332 PolarHBondContact OG1-OG 3.37Å; T330-N333 WeakPolarHBondContact O-CB 3.18Å; T330-N333 PolarHBondContact O-N 3.26Å; T330-N333 PolarHBondContact O-ND2 3.49Å; T330-N333 PolarHBondContact OG1-ND2 2.71Å; T330-Y423 CarbonylContact C-O 3.48Å; T330-Y423 WeakPolarHBondContact CA-O 3.48Å; T330-Y423 VanDerWaalsContact CB-O 3.25Å; T330-Y423 WeakPolarHBondContact CB-O 3.37Å
331	A	95.1	Very high	94.8	Very high	57 Å²	57	34.2 Å²	34.2	47%	0.471	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-69.2	-16.7	-174	0	0	0	0	0	113.5	N333 G334 L422 Y423	A331-N333 PolarHBondContact O-N 2.77Å; A331-G334 PolarHBondContact O-N 2.74Å; A331-L422 HydrophobicContact CB-CB 4.48Å; A331-Y423 PolarHBondContact N-O 3.16Å
332	S	94.3	Very high	94.9	Very high	79 Å²	79	36 Å²	36	55%	0.552	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-58	-27.9	172.5	44.6	0	0	0	0	112.3	T330 G334 D456	T330-S332 PolarHBondContact O-N 2.87Å; T330-S332 PolarHBondContact OG1-OG 3.37Å; S332-G334 PolarHBondContact O-N 2.98Å; S332-G334 VanDerWaalsContact O-N 3.16Å; S332-D456 WeakPolarHBondContact CB-OD2 3.34Å; S332-D456 VanDerWaalsContact OG-CG 3.31Å; S332-D456 PolarHBondContact OG-OD1 3.33Å; S332-D456 VanDerWaalsContact OG-OD1 3.07Å; S332-D456 PolarHBondContact OG-OD2 3.01Å
333	N	95.3	Very high	95.1	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-66.9	-12.5	175.6	-70.4	-78.9	0	0	0	114.6	T330 A331 S341 L342 H343 Y353 L422 D456	T330-N333 WeakPolarHBondContact O-CB 3.18Å; T330-N333 PolarHBondContact O-N 3.26Å; T330-N333 PolarHBondContact O-ND2 3.49Å; T330-N333 PolarHBondContact OG1-ND2 2.71Å; A331-N333 PolarHBondContact O-N 2.77Å; N333-S341 CarbonylContact O-C 3.57Å; N333-S341 VanDerWaalsContact O-CA 3.22Å; N333-S341 WeakPolarHBondContact O-CA 3.21Å; N333-S341 WeakPolarHBondContact O-CB 3.26Å; N333-S341 PolarHBondContact O-OG 2.79Å; N333-L342 HydrophobicContact CB-CB 4.43Å; N333-L342 PolarHBondContact O-N 3.29Å; N333-H343 WeakPolarHBondContact CB-CD2 3.42Å; N333-Y353 VanDerWaalsContact CG-OH 3.32Å; N333-Y353 PolarHBondContact ND2-OH 2.75Å; N333-Y353 WeakPolarHBondContact OD1-CE2 3.39Å; N333-Y353 VanDerWaalsContact OD1-CZ 3.28Å; N333-Y353 PolarHBondContact OD1-OH 3.33Å; N333-L422 HydrophobicContact CB-CD1 4.37Å; N333-D456 PolarHBondContact N-OD2 3.39Å; N333-D456 PolarHBondContact ND2-OD1 3.47Å; N333-D456 PolarHBondContact ND2-OD2 3.06Å; N333-D456 VanDerWaalsContact OD1-CB 3.23Å; N333-D456 WeakPolarHBondContact OD1-CB 3.38Å
334	G	94.2	Very high	95.2	Very high	29 Å²	29	38.3 Å²	38.3	30%	0.299	24%	0.239	S	C	.	.			trans	72.5	170.7	-175.7	0	0	0	0	0	113.7	A331 S332 P336 S341 L422	A331-G334 PolarHBondContact O-N 2.74Å; S332-G334 PolarHBondContact O-N 2.98Å; S332-G334 VanDerWaalsContact O-N 3.16Å; G334-P336 WeakPolarHBondContact O-CD 3.46Å; G334-S341 PolarHBondContact O-OG 3.36Å; G334-L422 WeakPolarHBondContact O-CD1 3.21Å
335	N	92.9	Very high	94.9	Very high	96 Å²	96	40.9 Å²	40.9	51%	0.513	25%	0.251	S	S	.	.			trans	-68.1	122.8	-176.1	-178.1	-24.7	0	0	0	111.6	A337 Q338 S341	N335-A337 PolarHBondContact O-N 2.83Å; N335-A337 WeakPolarHBondContact OD1-CB 3.22Å; N335-A337 PolarHBondContact OD1-N 3.04Å; N335-Q338 HydrophobicContact CB-CG 4.04Å; N335-Q338 WeakPolarHBondContact O-CB 3.5Å; N335-Q338 PolarHBondContact O-N 3.21Å; N335-S341 WeakPolarHBondContact O-CB 3.47Å
336	P	93.8	Very high	94.3	Very high	16 Å²	16	43.4 Å²	43.4	10%	0.104	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.7	-177.4	-25.7	34.8	0	0	0	115.5	G334 Q338 H343 M345 L417 L422	G334-P336 WeakPolarHBondContact O-CD 3.46Å; P336-Q338 VanDerWaalsContact C-N 3.3Å; P336-H343 HydrophobicContact CB-CB 4.13Å; P336-H343 HydrophobicContact CG-CB 4.06Å; P336-M345 HydrophobicContact CB-CE 4.27Å; P336-L417 HydrophobicContact CB-CD2 4.48Å; P336-L417 HydrophobicContact CG-CD2 3.93Å; P336-L422 HydrophobicContact CG-CD1 3.91Å; P336-L422 HydrophobicContact CG-CG 4.4Å
337	A	90.6	Very high	93.7	Very high	69 Å²	69	48.5 Å²	48.5	57%	0.57	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.1	174.3	0	0	0	0	0	113.5	N335	N335-A337 PolarHBondContact O-N 2.83Å; N335-A337 WeakPolarHBondContact OD1-CB 3.22Å; N335-A337 PolarHBondContact OD1-N 3.04Å
338	Q	93.7	Very high	93.1	Very high	103 Å²	103	58.5 Å²	58.5	48%	0.481	34%	0.337	S	S	.	.	S	Bend	trans	-97.2	135	-177	-63.2	-62.4	-29.4	0	0	111.1	N335 P336 T340 S341 Y344	N335-Q338 HydrophobicContact CB-CG 4.04Å; N335-Q338 WeakPolarHBondContact O-CB 3.5Å; N335-Q338 PolarHBondContact O-N 3.21Å; P336-Q338 VanDerWaalsContact C-N 3.3Å; Q338-T340 PolarHBondContact O-N 3.43Å; Q338-S341 VanDerWaalsContact O-CB 3.31Å; Q338-S341 WeakPolarHBondContact O-CB 3.45Å; Q338-S341 PolarHBondContact O-N 3.47Å; Q338-Y344 VanDerWaalsContact C-CD2 3.47Å; Q338-Y344 VanDerWaalsContact O-CD2 3.28Å; Q338-Y344 WeakPolarHBondContact O-CD2 3.29Å
339	P	92.2	Very high	92.5	Very high	90 Å²	90	63.6 Å²	63.6	58%	0.584	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.2	178.3	-26.3	35.1	0	0	0	115.3	S341 Y344	P339-S341 VanDerWaalsContact C-N 3.31Å; P339-Y344 HydrophobicContact CB-CD1 4.49Å; P339-Y344 HydrophobicContact CB-CE1 4.3Å; P339-Y344 HydrophobicContact CB-CE2 4.42Å; P339-Y344 HydrophobicContact CG-CE2 4.09Å
340	T	92.6	Very high	92.2	Very high	132 Å²	132	66.4 Å²	66.4	81%	0.81	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.9	177.3	56.6	0	0	0	0	113.3	Q338	Q338-T340 PolarHBondContact O-N 3.43Å
341	S	95.4	Very high	92	Very high	8 Å²	8	67 Å²	67	6%	0.056	38%	0.379	C	S	.	.	S	Bend	trans	-76.1	142.7	178.9	175.2	0	0	0	0	111.5	N333 G334 N335 Q338 P339 H343 Y344	N333-S341 CarbonylContact O-C 3.57Å; N333-S341 VanDerWaalsContact O-CA 3.22Å; N333-S341 WeakPolarHBondContact O-CA 3.21Å; N333-S341 WeakPolarHBondContact O-CB 3.26Å; N333-S341 PolarHBondContact O-OG 2.79Å; G334-S341 PolarHBondContact O-OG 3.36Å; N335-S341 WeakPolarHBondContact O-CB 3.47Å; Q338-S341 VanDerWaalsContact O-CB 3.31Å; Q338-S341 WeakPolarHBondContact O-CB 3.45Å; Q338-S341 PolarHBondContact O-N 3.47Å; P339-S341 VanDerWaalsContact C-N 3.31Å; S341-H343 PolarHBondContact O-N 3.01Å; S341-H343 PolarHBondContact OG-N 3.02Å; S341-Y344 VanDerWaalsContact O-CB 3.26Å; S341-Y344 WeakPolarHBondContact O-CB 3.47Å; S341-Y344 PolarHBondContact O-N 2.88Å; S341-Y344 VanDerWaalsContact O-N 3.1Å
342	L	95.3	Very high	91.9	Very high	40 Å²	40	65.1 Å²	65.1	21%	0.209	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.6	171.9	-61.1	175.8	0	0	0	112.2	N333 N351 Y353 D456 V484	N333-L342 HydrophobicContact CB-CB 4.43Å; N333-L342 PolarHBondContact O-N 3.29Å; L342-N351 WeakPolarHBondContact O-CB 3.49Å; L342-Y353 HydrophobicContact CB-CD2 4.45Å; L342-Y353 HydrophobicContact CB-CE2 3.9Å; L342-D456 HydrophobicContact CD1-CB 3.32Å; L342-V484 HydrophobicContact CD1-CG2 4.46Å
343	H	96.6	Very high	92	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.6	172.1	-69.6	-54.1	0	0	0	113.7	D328 N333 P336 S341 M345 N351 Y353 Y413 L417	D328-H343 PolarHBondContact O-CE1 2.88Å; D328-H343 PolarHBondContact O-NE2 3.4Å; N333-H343 WeakPolarHBondContact CB-CD2 3.42Å; P336-H343 HydrophobicContact CB-CB 4.13Å; P336-H343 HydrophobicContact CG-CB 4.06Å; S341-H343 PolarHBondContact O-N 3.01Å; S341-H343 PolarHBondContact OG-N 3.02Å; H343-M345 PolarHBondContact O-N 2.84Å; H343-M345 VanDerWaalsContact O-N 3.16Å; H343-N351 PolarHBondContact O-ND2 3.44Å; H343-Y353 AromaticContact CE1-CD1 3.97Å; H343-Y353 AromaticContact CE1-CD2 3.52Å; H343-Y353 AromaticContact CE1-CE1 3.82Å; H343-Y353 AromaticContact CE1-CE2 3.34Å; H343-Y353 WeakPolarHBondContact CE1-CE2 3.37Å; H343-Y353 AromaticContact CE1-CG 3.84Å; H343-Y353 AromaticContact CE1-CZ 3.52Å; H343-Y353 AromaticContact ND1-CD2 3.42Å; H343-Y353 WeakPolarHBondContact ND1-CD2 3.21Å; H343-Y353 AromaticContact ND1-CE2 3.61Å; H343-Y353 AromaticContact ND1-CG 3.89Å; H343-Y353 AromaticContact NE2-CE2 3.94Å; H343-Y413 AromaticContact ND1-CE2 3.68Å; H343-Y413 AromaticContact ND1-CZ 3.68Å; H343-Y413 PolarHBondContact ND1-OH 3.22Å; H343-L417 HydrophobicContact CB-CD1 4Å; H343-L417 HydrophobicContact CB-CD2 3.8Å
344	Y	95.3	Very high	92	Very high	73 Å²	73	61.2 Å²	61.2	29%	0.286	34%	0.335	S	S	.	.			trans	-53.9	126.2	-176.5	-180	-121.7	0	0	0	111.7	Q338 P339 S341 N346 N351	Q338-Y344 VanDerWaalsContact C-CD2 3.47Å; Q338-Y344 VanDerWaalsContact O-CD2 3.28Å; Q338-Y344 WeakPolarHBondContact O-CD2 3.29Å; P339-Y344 HydrophobicContact CB-CD1 4.49Å; P339-Y344 HydrophobicContact CB-CE1 4.3Å; P339-Y344 HydrophobicContact CB-CE2 4.42Å; P339-Y344 HydrophobicContact CG-CE2 4.09Å; S341-Y344 VanDerWaalsContact O-CB 3.26Å; S341-Y344 WeakPolarHBondContact O-CB 3.47Å; S341-Y344 PolarHBondContact O-N 2.88Å; S341-Y344 VanDerWaalsContact O-N 3.1Å; Y344-N346 HydrophobicContact CD1-CB 3.95Å; Y344-N346 HydrophobicContact CE1-CB 3.78Å; Y344-N346 PolarHBondContact O-N 3.07Å; Y344-N351 PolarHBondContact O-ND2 2.99Å
345	M	89.9	Confident	91.9	Very high	61 Å²	61	60.6 Å²	60.6	30%	0.3	33%	0.325	S	S	.	.			trans	-89.5	79.4	-179.1	-70.6	-177.1	-79.4	0	0	110.4	P336 H343 Y414 L417 K418	P336-M345 HydrophobicContact CB-CE 4.27Å; H343-M345 PolarHBondContact O-N 2.84Å; H343-M345 VanDerWaalsContact O-N 3.16Å; M345-Y414 HydrophobicContact CG-CD1 3.83Å; M345-Y414 HydrophobicContact CG-CE1 4.17Å; M345-Y414 HydrophobicContact SD-CD1 4.12Å; M345-L417 HydrophobicContact CE-CB 4.48Å; M345-L417 HydrophobicContact CG-CD1 4.38Å; M345-L417 HydrophobicContact SD-CB 4.43Å; M345-K418 HydrophobicContact CE-CG 4.11Å; M345-K418 HydrophobicContact SD-CG 4.4Å
346	N	86.4	Confident	92	Very high	53 Å²	53	56 Å²	56	28%	0.283	30%	0.3	S	S	.	.			trans	-76	131.3	174.1	-175.7	-30	0	0	0	110.4	Y344 Y348 Q349	Y344-N346 HydrophobicContact CD1-CB 3.95Å; Y344-N346 HydrophobicContact CE1-CB 3.78Å; Y344-N346 PolarHBondContact O-N 3.07Å; N346-Y348 PolarHBondContact O-N 2.85Å; N346-Y348 PolarHBondContact OD1-N 3.02Å; N346-Q349 WeakPolarHBondContact CB-O 3.24Å
347	P	84.8	Confident	92	Very high	107 Å²	107	55.2 Å²	55.2	70%	0.695	30%	0.295	S	S	*	.	S	Bend	trans	-68.6	-15.6	179.2	26.2	-34.4	0	0	0	114.9
348	Y	84.8	Confident	92.1	Very high	211 Å²	211	54.5 Å²	54.5	83%	0.827	28%	0.279	S	S	*	.	S	Bend	trans	-112.6	-19.2	-174.6	-57.5	-69.9	0	0	0	114.2	N346	N346-Y348 PolarHBondContact O-N 2.85Å; N346-Y348 PolarHBondContact OD1-N 3.02Å
349	Q	85.9	Confident	92	Very high	106 Å²	106	49.9 Å²	49.9	50%	0.495	26%	0.259	S	S	.	.	S	Bend	trans	-140	143.6	-173	-70.1	-177.1	-17.4	0	0	111.1	N346	N346-Q349 WeakPolarHBondContact CB-O 3.24Å
350	L	90.5	Very high	92	Very high	60 Å²	60	45.6 Å²	45.6	31%	0.314	23%	0.231	S	C	.	.			trans	-72.5	142	172.5	-61.9	178	0	0	0	110	M355 K358 M410 Y414	L350-M355 HydrophobicContact CB-CG 3.77Å; L350-K358 HydrophobicContact CD1-CB 4.41Å; L350-K358 HydrophobicContact CD1-CD 3.8Å; L350-M410 HydrophobicContact CD1-CE 4.32Å; L350-M410 HydrophobicContact CD2-CE 3.62Å; L350-Y414 WeakPolarHBondContact CD2-OH 3.31Å
351	N	93	Very high	92	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.08	19%	0.192	C	C	.	.			trans	-76	175.8	167.3	61.3	41.1	0	0	0	111.3	L342 H343 Y344 Y353 G354 M355 Y413	L342-N351 WeakPolarHBondContact O-CB 3.49Å; H343-N351 PolarHBondContact O-ND2 3.44Å; Y344-N351 PolarHBondContact O-ND2 2.99Å; N351-Y353 VanDerWaalsContact C-N 3.31Å; N351-Y353 PolarHBondContact O-N 2.85Å; N351-Y353 WeakPolarHBondContact OD1-CB 3.21Å; N351-Y353 PolarHBondContact OD1-N 2.87Å; N351-G354 PolarHBondContact O-N 3.27Å; N351-G354 VanDerWaalsContact O-N 3.11Å; N351-G354 PolarHBondContact OD1-N 3.16Å; N351-M355 PolarHBondContact O-N 3.06Å; N351-Y413 PolarHBondContact ND2-OH 2.64Å; N351-Y413 PolarHBondContact OD1-OH 3.43Å
352	A	92.4	Very high	91.7	Very high	16 Å²	16	40.7 Å²	40.7	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-57.4	-42.2	-176	0	0	0	0	0	113	M355 A356 V484 F519	A352-M355 PolarHBondContact O-N 3.24Å; A352-A356 WeakPolarHBondContact O-CB 3.3Å; A352-A356 PolarHBondContact O-N 2.87Å; A352-V484 HydrophobicContact CB-CB 3.86Å; A352-V484 HydrophobicContact CB-CG1 3.87Å; A352-F519 HydrophobicContact CB-CD1 4.06Å; A352-F519 HydrophobicContact CB-CE1 4.2Å
353	Y	96.1	Very high	91.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-50.8	173.3	-71.9	-90.4	0	0	0	111.6	I327 D328 N333 L342 H343 N351 M355 A356 L357 Y413 V454 D456 V484	I327-Y353 HydrophobicContact CG2-CD1 3.75Å; I327-Y353 HydrophobicContact CG2-CE1 4.05Å; D328-Y353 HydrophobicContact CB-CE1 4.18Å; N333-Y353 VanDerWaalsContact CG-OH 3.32Å; N333-Y353 PolarHBondContact ND2-OH 2.75Å; N333-Y353 WeakPolarHBondContact OD1-CE2 3.39Å; N333-Y353 VanDerWaalsContact OD1-CZ 3.28Å; N333-Y353 PolarHBondContact OD1-OH 3.33Å; L342-Y353 HydrophobicContact CB-CD2 4.45Å; L342-Y353 HydrophobicContact CB-CE2 3.9Å; H343-Y353 AromaticContact CE1-CD1 3.97Å; H343-Y353 AromaticContact CE1-CD2 3.52Å; H343-Y353 AromaticContact CE1-CE1 3.82Å; H343-Y353 AromaticContact CE1-CE2 3.34Å; H343-Y353 WeakPolarHBondContact CE1-CE2 3.37Å; H343-Y353 AromaticContact CE1-CG 3.84Å; H343-Y353 AromaticContact CE1-CZ 3.52Å; H343-Y353 AromaticContact ND1-CD2 3.42Å; H343-Y353 WeakPolarHBondContact ND1-CD2 3.21Å; H343-Y353 AromaticContact ND1-CE2 3.61Å; H343-Y353 AromaticContact ND1-CG 3.89Å; H343-Y353 AromaticContact NE2-CE2 3.94Å; N351-Y353 VanDerWaalsContact C-N 3.31Å; N351-Y353 PolarHBondContact O-N 2.85Å; N351-Y353 WeakPolarHBondContact OD1-CB 3.21Å; N351-Y353 PolarHBondContact OD1-N 2.87Å; Y353-M355 VanDerWaalsContact C-N 3.29Å; Y353-M355 PolarHBondContact O-N 3.26Å; Y353-A356 PolarHBondContact O-N 2.78Å; Y353-L357 WeakPolarHBondContact O-CB 3.3Å; Y353-L357 WeakPolarHBondContact O-CG 3.31Å; Y353-L357 PolarHBondContact O-N 3.39Å; Y353-Y413 WeakPolarHBondContact CB-OH 3.16Å; Y353-V454 HydrophobicContact CD1-CB 3.77Å; Y353-V454 HydrophobicContact CD1-CG1 3.33Å; Y353-V454 HydrophobicContact CE1-CB 4.03Å; Y353-V454 HydrophobicContact CE1-CG1 3.66Å; Y353-V454 WeakPolarHBondContact CE1-O 3.13Å; Y353-V454 HydrophobicContact CG-CG1 4.14Å; Y353-D456 PolarHBondContact OH-N 3.18Å; Y353-D456 VanDerWaalsContact OH-N 3.12Å; Y353-V484 HydrophobicContact CD2-CG2 4.01Å; Y353-V484 HydrophobicContact CE1-CG2 4.05Å; Y353-V484 HydrophobicContact CE2-CG2 3.46Å; Y353-V484 VanDerWaalsContact CE2-CG2 3.46Å; Y353-V484 VanDerWaalsContact CZ-CG2 3.46Å
354	G	94.9	Very high	91	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-37.8	179.6	0	0	0	0	0	113.3	N351 K358	N351-G354 PolarHBondContact O-N 3.27Å; N351-G354 VanDerWaalsContact O-N 3.11Å; N351-G354 PolarHBondContact OD1-N 3.16Å; G354-K358 VanDerWaalsContact O-CB 3.27Å; G354-K358 WeakPolarHBondContact O-CB 3.37Å; G354-K358 PolarHBondContact O-N 3.12Å; G354-K358 VanDerWaalsContact O-N 3.08Å
355	M	93	Very high	90.7	Very high	16 Å²	16	37.1 Å²	37.1	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-45.2	174.2	-72.8	-170.6	-82.6	0	0	112	L350 N351 A352 Y353 K358 A359 F519 H529 M533	L350-M355 HydrophobicContact CB-CG 3.77Å; N351-M355 PolarHBondContact O-N 3.06Å; A352-M355 PolarHBondContact O-N 3.24Å; Y353-M355 VanDerWaalsContact C-N 3.29Å; Y353-M355 PolarHBondContact O-N 3.26Å; M355-K358 PolarHBondContact O-N 3.17Å; M355-A359 VanDerWaalsContact O-CB 3.22Å; M355-A359 WeakPolarHBondContact O-CB 3.49Å; M355-A359 PolarHBondContact O-N 3.27Å; M355-F519 HydrophobicContact CB-CE1 3.91Å; M355-F519 HydrophobicContact CB-CZ 3.69Å; M355-F519 HydrophobicContact CE-CE1 3.9Å; M355-F519 HydrophobicContact CE-CZ 4.25Å; M355-F519 HydrophobicContact SD-CE1 4.37Å; M355-F519 HydrophobicContact SD-CZ 4.13Å; M355-H529 HydrophobicContact SD-CB 4.09Å; M355-H529 PolarHBondContact SD-ND1 3.5Å; M355-M533 HydrophobicContact CB-CG 4.25Å; M355-M533 HydrophobicContact CB-SD 4.37Å; M355-M533 HydrophobicContact CG-SD 4.46Å
356	A	93.9	Very high	90.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-46	178.7	0	0	0	0	0	112.3	A352 Y353 K358 A359 V360 V454 V482 L536	A352-A356 WeakPolarHBondContact O-CB 3.3Å; A352-A356 PolarHBondContact O-N 2.87Å; Y353-A356 PolarHBondContact O-N 2.78Å; A356-K358 VanDerWaalsContact C-N 3.34Å; A356-K358 PolarHBondContact O-N 2.84Å; A356-A359 PolarHBondContact O-N 3.07Å; A356-V360 WeakPolarHBondContact O-CG2 3.2Å; A356-V360 PolarHBondContact O-N 3.04Å; A356-V360 VanDerWaalsContact O-N 3.11Å; A356-V454 HydrophobicContact CB-CG1 4.17Å; A356-V454 HydrophobicContact CB-CG2 4.38Å; A356-V482 HydrophobicContact CB-CB 4.46Å; A356-V482 HydrophobicContact CB-CG1 3.86Å; A356-L536 HydrophobicContact CB-CD2 4.06Å
357	L	95.2	Very high	90.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.9	-49.3	175.6	-69.2	172.5	0	0	0	111.2	V325 I327 Y353 G361 I406 M410 Y413 L452 V454	V325-L357 HydrophobicContact CB-CD2 4.42Å; V325-L357 HydrophobicContact CG1-CD2 3.24Å; V325-L357 HydrophobicContact CG2-CD2 4.32Å; I327-L357 HydrophobicContact CD1-CD1 3.6Å; I327-L357 HydrophobicContact CD1-CD2 4.16Å; I327-L357 HydrophobicContact CD1-CG 4.45Å; I327-L357 HydrophobicContact CG1-CD1 4.48Å; I327-L357 HydrophobicContact CG1-CD2 4.29Å; Y353-L357 WeakPolarHBondContact O-CB 3.3Å; Y353-L357 WeakPolarHBondContact O-CG 3.31Å; Y353-L357 PolarHBondContact O-N 3.39Å; L357-G361 WeakPolarHBondContact O-CA 3.47Å; L357-G361 PolarHBondContact O-N 2.84Å; L357-I406 HydrophobicContact CB-CD1 4.37Å; L357-I406 WeakPolarHBondContact O-CD1 3.31Å; L357-M410 HydrophobicContact CB-SD 3.79Å; L357-M410 HydrophobicContact CD1-SD 3.72Å; L357-M410 HydrophobicContact CG-SD 4.43Å; L357-Y413 HydrophobicContact CD1-CD1 4.29Å; L357-Y413 HydrophobicContact CD1-CG 4.4Å; L357-L452 HydrophobicContact CD2-CD2 4.12Å; L357-V454 HydrophobicContact CD2-CG2 4.19Å
358	K	92.9	Very high	90.7	Very high	53 Å²	53	28.1 Å²	28.1	23%	0.23	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-44.9	-179.4	-169.2	164.6	-172.1	154	0	111.7	L350 G354 M355 A356 V360 E362 E407 M533	L350-K358 HydrophobicContact CD1-CB 4.41Å; L350-K358 HydrophobicContact CD1-CD 3.8Å; G354-K358 VanDerWaalsContact O-CB 3.27Å; G354-K358 WeakPolarHBondContact O-CB 3.37Å; G354-K358 PolarHBondContact O-N 3.12Å; G354-K358 VanDerWaalsContact O-N 3.08Å; M355-K358 PolarHBondContact O-N 3.17Å; A356-K358 VanDerWaalsContact C-N 3.34Å; A356-K358 PolarHBondContact O-N 2.84Å; K358-V360 PolarHBondContact O-N 3.09Å; K358-E362 WeakPolarHBondContact CE-OE1 3.23Å; K358-E362 HydrophobicContact CG-CG 3.93Å; K358-E362 IonicContact NZ-OE1 2.72Å; K358-E362 WeakPolarHBondContact O-CB 3.36Å; K358-E362 WeakPolarHBondContact O-CG 3.43Å; K358-E362 PolarHBondContact O-N 2.64Å; K358-E407 IonicContact NZ-OE1 3.84Å; K358-M533 HydrophobicContact CB-SD 4.38Å
359	A	91.4	Very high	90.5	Very high	6 Å²	6	22 Å²	22	5%	0.05	12%	0.118	C	C	.	.	H	α-helix	trans	-56.9	-50.2	-179.7	0	0	0	0	0	112.5	M355 A356 M533 L536 A537	M355-A359 VanDerWaalsContact O-CB 3.22Å; M355-A359 WeakPolarHBondContact O-CB 3.49Å; M355-A359 PolarHBondContact O-N 3.27Å; A356-A359 PolarHBondContact O-N 3.07Å; A359-M533 HydrophobicContact CB-CB 3.72Å; A359-M533 HydrophobicContact CB-CG 4.03Å; A359-L536 HydrophobicContact CB-CD2 3.95Å; A359-A537 HydrophobicContact CB-CB 4.46Å
360	V	91.7	Very high	90.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-79.8	-49.2	-176.6	179.9	0	0	0	0	110.9	F323 A356 K358 E362 I363 V364 L452 I480 V540 L541	F323-V360 HydrophobicContact CE2-CG1 4.03Å; F323-V360 HydrophobicContact CZ-CG1 3.86Å; A356-V360 WeakPolarHBondContact O-CG2 3.2Å; A356-V360 PolarHBondContact O-N 3.04Å; A356-V360 VanDerWaalsContact O-N 3.11Å; K358-V360 PolarHBondContact O-N 3.09Å; V360-E362 VanDerWaalsContact C-N 3.29Å; V360-E362 PolarHBondContact O-N 2.94Å; V360-I363 PolarHBondContact O-N 2.96Å; V360-V364 HydrophobicContact CG1-CG2 4.11Å; V360-V364 WeakPolarHBondContact O-CG2 3.03Å; V360-V364 PolarHBondContact O-N 2.77Å; V360-V364 VanDerWaalsContact O-N 3.14Å; V360-L452 HydrophobicContact CB-CD2 4.03Å; V360-L452 HydrophobicContact CG1-CD2 4.16Å; V360-L452 HydrophobicContact CG2-CD1 4.48Å; V360-L452 HydrophobicContact CG2-CD2 4.42Å; V360-I480 HydrophobicContact CG1-CD1 4.37Å; V360-V540 HydrophobicContact CG1-CG1 4.38Å; V360-V540 HydrophobicContact CG2-CB 4.49Å; V360-V540 HydrophobicContact CG2-CG1 3.83Å; V360-L541 HydrophobicContact CG1-CD2 4.06Å
361	G	91.8	Very high	90.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-29.7	-174.5	0	0	0	0	0	113.5	L357 I363 Q365	L357-G361 WeakPolarHBondContact O-CA 3.47Å; L357-G361 PolarHBondContact O-N 2.84Å; G361-I363 PolarHBondContact O-N 2.75Å; G361-Q365 VanDerWaalsContact O-CB 3.28Å; G361-Q365 WeakPolarHBondContact O-CB 3.29Å; G361-Q365 VanDerWaalsContact O-CG 3.27Å; G361-Q365 WeakPolarHBondContact O-CG 3.12Å; G361-Q365 PolarHBondContact O-N 2.64Å
362	E	90.1	Very high	90.5	Very high	37 Å²	37	23.7 Å²	23.7	17%	0.173	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-26.5	178.5	-82.5	-168.4	159.6	0	0	114.3	R103 K358 V360 Q365 I406	R103-E362 IonicContact CZ-OE2 3.15Å; R103-E362 IonicContact NH1-OE1 2.9Å; R103-E362 PolarHBondContact NH1-OE1 2.78Å; R103-E362 IonicContact NH1-OE2 3.82Å; R103-E362 PolarHBondContact NH1-OE2 2.83Å; K358-E362 WeakPolarHBondContact CE-OE1 3.23Å; K358-E362 HydrophobicContact CG-CG 3.93Å; K358-E362 IonicContact NZ-OE1 2.72Å; K358-E362 WeakPolarHBondContact O-CB 3.36Å; K358-E362 WeakPolarHBondContact O-CG 3.43Å; K358-E362 PolarHBondContact O-N 2.64Å; V360-E362 VanDerWaalsContact C-N 3.29Å; V360-E362 PolarHBondContact O-N 2.94Å; E362-Q365 VanDerWaalsContact CA-NE2 3.33Å; E362-Q365 WeakPolarHBondContact O-CG 3.31Å; E362-Q365 PolarHBondContact O-NE2 3.3Å; E362-I406 HydrophobicContact CG-CG2 4.09Å
363	I	89.8	Confident	90.7	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.051	12%	0.12	C	C	.	.	H	α-helix	trans	-91.3	-49.5	179.2	-69.1	157.4	0	0	0	110.1	F100 E101 R103 V360 G361 Q365 D366 Y367 A537 L541	F100-I363 WeakPolarHBondContact O-CG2 3.38Å; E101-I363 WeakPolarHBondContact O-CD1 3.38Å; R103-I363 HydrophobicContact CB-CG1 4.01Å; V360-I363 PolarHBondContact O-N 2.96Å; G361-I363 PolarHBondContact O-N 2.75Å; I363-Q365 VanDerWaalsContact C-N 3.25Å; I363-Q365 PolarHBondContact O-N 2.94Å; I363-D366 PolarHBondContact O-N 3.01Å; I363-Y367 HydrophobicContact CG2-CE2 4.46Å; I363-Y367 WeakPolarHBondContact O-CD2 3.38Å; I363-Y367 WeakPolarHBondContact O-CE2 3.35Å; I363-A537 HydrophobicContact CD1-CB 3.48Å; I363-A537 VanDerWaalsContact CD1-CB 3.48Å; I363-L541 HydrophobicContact CB-CD1 3.78Å; I363-L541 HydrophobicContact CD1-CD1 3.99Å; I363-L541 HydrophobicContact CG2-CD1 3.58Å
364	V	86.8	Confident	90.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-31.7	-174.9	-178.7	0	0	0	0	112.1	I321 F323 V360 D366 Y367 L541	I321-V364 HydrophobicContact CG2-CG1 4.29Å; F323-V364 HydrophobicContact CB-CG1 3.76Å; F323-V364 HydrophobicContact CD2-CB 4.23Å; F323-V364 HydrophobicContact CD2-CG1 3.71Å; F323-V364 HydrophobicContact CD2-CG2 4.49Å; F323-V364 HydrophobicContact CE2-CG1 4.42Å; F323-V364 HydrophobicContact CE2-CG2 4.43Å; F323-V364 HydrophobicContact CG-CB 4.3Å; F323-V364 HydrophobicContact CG-CG1 3.77Å; V360-V364 HydrophobicContact CG1-CG2 4.11Å; V360-V364 WeakPolarHBondContact O-CG2 3.03Å; V360-V364 PolarHBondContact O-N 2.77Å; V360-V364 VanDerWaalsContact O-N 3.14Å; V364-D366 PolarHBondContact O-N 3.37Å; V364-Y367 PolarHBondContact O-N 3.43Å; V364-L541 HydrophobicContact CG2-CD1 4.08Å; V364-L541 HydrophobicContact CG2-CD2 3.53Å; V364-L541 HydrophobicContact CG2-CG 4.48Å
365	Q	89	Confident	90.8	Very high	27 Å²	27	23.5 Å²	23.5	13%	0.126	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.8	179.6	69.2	179.4	-30.5	0	0	114.9	G361 E362 I363 Y367 K371 F373	G361-Q365 VanDerWaalsContact O-CB 3.28Å; G361-Q365 WeakPolarHBondContact O-CB 3.29Å; G361-Q365 VanDerWaalsContact O-CG 3.27Å; G361-Q365 WeakPolarHBondContact O-CG 3.12Å; G361-Q365 PolarHBondContact O-N 2.64Å; E362-Q365 VanDerWaalsContact CA-NE2 3.33Å; E362-Q365 WeakPolarHBondContact O-CG 3.31Å; E362-Q365 PolarHBondContact O-NE2 3.3Å; I363-Q365 VanDerWaalsContact C-N 3.25Å; I363-Q365 PolarHBondContact O-N 2.94Å; Q365-Y367 PolarHBondContact O-N 3.27Å; Q365-K371 WeakPolarHBondContact O-CE 3.05Å; Q365-F373 HydrophobicContact CB-CE2 3.78Å; Q365-F373 HydrophobicContact CB-CZ 3.44Å; Q365-F373 VanDerWaalsContact CB-CZ 3.44Å
366	D	89.2	Confident	91.1	Very high	18 Å²	18	23 Å²	23	10%	0.096	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.6	178.3	-73.5	-16.6	0	0	0	112.2	T132 I363 V364 K371	T132-D366 PolarHBondContact OG1-OD2 3.11Å; I363-D366 PolarHBondContact O-N 3.01Å; V364-D366 PolarHBondContact O-N 3.37Å; D366-K371 IonicContact OD1-NZ 3.98Å
367	Y	86.6	Confident	91.2	Very high	8 Å²	8	23 Å²	23	3%	0.031	12%	0.121	C	C	.	.	S	Bend	trans	-108.1	1.9	179.3	-51.9	-86.4	0	0	0	113.2	Y98 F100 V137 F311 I315 I321 I363 V364 Q365	Y98-Y367 WeakPolarHBondContact CE2-OH 3.21Å; Y98-Y367 VanDerWaalsContact OH-CE1 3.29Å; Y98-Y367 WeakPolarHBondContact OH-CE1 3.48Å; Y98-Y367 VanDerWaalsContact OH-CZ 3.26Å; Y98-Y367 PolarHBondContact OH-OH 2.85Å; F100-Y367 HydrophobicContact CD2-CD2 4.34Å; F100-Y367 HydrophobicContact CD2-CE1 4.09Å; F100-Y367 AromaticContact CD2-CE2 3.8Å; F100-Y367 HydrophobicContact CD2-CE2 3.8Å; F100-Y367 AromaticContact CD2-CZ 3.67Å; F100-Y367 HydrophobicContact CE2-CD1 4.32Å; F100-Y367 AromaticContact CE2-CD2 3.7Å; F100-Y367 HydrophobicContact CE2-CD2 3.7Å; F100-Y367 HydrophobicContact CE2-CE1 4.22Å; F100-Y367 AromaticContact CE2-CE2 3.59Å; F100-Y367 HydrophobicContact CE2-CE2 3.59Å; F100-Y367 HydrophobicContact CE2-CG 4.08Å; F100-Y367 AromaticContact CE2-CZ 3.88Å; V137-Y367 HydrophobicContact CG2-CE1 4.04Å; F311-Y367 HydrophobicContact CE1-CD1 4.36Å; F311-Y367 HydrophobicContact CE1-CE1 4.35Å; I315-Y367 HydrophobicContact CG1-CD1 4.5Å; I315-Y367 HydrophobicContact CG2-CD1 4.38Å; I321-Y367 PolarHBondContact N-O 2.96Å; I363-Y367 HydrophobicContact CG2-CE2 4.46Å; I363-Y367 WeakPolarHBondContact O-CD2 3.38Å; I363-Y367 WeakPolarHBondContact O-CE2 3.35Å; V364-Y367 PolarHBondContact O-N 3.43Å; Q365-Y367 PolarHBondContact O-N 3.27Å
368	D	85.7	Confident	91.4	Very high	6 Å²	6	23 Å²	23	3%	0.032	12%	0.121	C	C	.	.			trans	-101.6	123	169.7	-168.1	-52.5	0	0	0	108.7	I321 D370 K371 F373	I321-D368 WeakPolarHBondContact O-CB 3.22Å; D368-D370 PolarHBondContact OD1-N 3.06Å; D368-K371 WeakPolarHBondContact O-CG 3.31Å; D368-K371 PolarHBondContact OD1-N 3.1Å; D368-F373 HydrophobicContact CB-CE1 3.64Å; D368-F373 HydrophobicContact CB-CZ 4.15Å; D368-F373 WeakPolarHBondContact OD2-CE1 3.27Å
369	S	80.1	Confident	91.5	Very high	83 Å²	83	20.4 Å²	20.4	58%	0.58	11%	0.11	S	C	*	.	S	Bend	trans	-75.4	-30.9	-172.4	58.3	0	0	0	0	114.1	Q320	Q320-S369 PolarHBondContact NE2-OG 2.97Å
370	D	85.4	Confident	91.8	Very high	89 Å²	89	20.1 Å²	20.1	48%	0.476	11%	0.108	S	C	.	.	S	Bend	trans	-100.1	-15.8	-179.6	70.8	17.3	0	0	0	112.3	D368 M372	D368-D370 PolarHBondContact OD1-N 3.06Å; D370-M372 HydrophobicContact CB-CG 4.26Å; D370-M372 PolarHBondContact O-N 3.43Å; D370-M372 WeakPolarHBondContact OD1-CB 3.41Å; D370-M372 PolarHBondContact OD1-N 2.87Å
371	K	90.9	Very high	92	Very high	65 Å²	65	22.6 Å²	22.6	28%	0.283	12%	0.119	S	C	.	.			trans	58.1	25.4	-179.9	-52.7	-168.4	177.8	-155.6	0	112.3	Q365 D366 D368 F373 G405	Q365-K371 WeakPolarHBondContact O-CE 3.05Å; D366-K371 IonicContact OD1-NZ 3.98Å; D368-K371 WeakPolarHBondContact O-CG 3.31Å; D368-K371 PolarHBondContact OD1-N 3.1Å; K371-F373 HydrophobicContact CB-CE2 4.5Å; K371-F373 HydrophobicContact CB-CZ 4.18Å; K371-G405 WeakPolarHBondContact O-CA 3.42Å; K371-G405 PolarHBondContact O-N 2.88Å
372	M	93.9	Very high	92.2	Very high	61 Å²	61	24.6 Å²	24.6	30%	0.3	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	108.8	177	-63.4	-61.2	-56.8	0	0	108.7	D370 Y402 C403 D404	D370-M372 HydrophobicContact CB-CG 4.26Å; D370-M372 PolarHBondContact O-N 3.43Å; D370-M372 WeakPolarHBondContact OD1-CB 3.41Å; D370-M372 PolarHBondContact OD1-N 2.87Å; M372-Y402 HydrophobicContact CB-CD1 3.73Å; M372-Y402 HydrophobicContact CB-CG 4.45Å; M372-Y402 VanDerWaalsContact O-CD1 3.24Å; M372-Y402 WeakPolarHBondContact O-CD1 3.13Å; M372-C403 CarbonylContact C-O 3.6Å; M372-C403 WeakPolarHBondContact CA-O 3.48Å; M372-D404 HydrophobicContact SD-CB 4.28Å
373	F	95.3	Very high	92.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.4	-173.4	-55.2	-49.5	0	0	0	111.9	F323 Q365 D368 K371 A375 Y402 C403 V409	F323-F373 HydrophobicContact CB-CD1 3.73Å; F323-F373 HydrophobicContact CB-CE1 3.86Å; F323-F373 HydrophobicContact CD1-CD1 4.12Å; F323-F373 HydrophobicContact CD1-CE1 4.42Å; F323-F373 HydrophobicContact CD1-CG 4.28Å; F323-F373 HydrophobicContact CG-CD1 4.44Å; F323-F373 WeakPolarHBondContact O-CD1 3.24Å; Q365-F373 HydrophobicContact CB-CE2 3.78Å; Q365-F373 HydrophobicContact CB-CZ 3.44Å; Q365-F373 VanDerWaalsContact CB-CZ 3.44Å; D368-F373 HydrophobicContact CB-CE1 3.64Å; D368-F373 HydrophobicContact CB-CZ 4.15Å; D368-F373 WeakPolarHBondContact OD2-CE1 3.27Å; K371-F373 HydrophobicContact CB-CE2 4.5Å; K371-F373 HydrophobicContact CB-CZ 4.18Å; F373-A375 PolarHBondContact O-N 3.36Å; F373-Y402 CarbonylContact O-C 3.53Å; F373-Y402 WeakPolarHBondContact O-CA 3.4Å; F373-C403 PolarHBondContact N-O 3.34Å; F373-C403 PolarHBondContact O-N 3.32Å; F373-V409 HydrophobicContact CB-CG2 3.82Å; F373-V409 HydrophobicContact CD2-CG2 4.27Å
374	P	96.8	Very high	92.2	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.084	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	121.8	166.8	-23.4	34.6	0	0	0	110.6	F323 T324 V325 P401 Y402	F323-P374 WeakPolarHBondContact O-CD 3.3Å; T324-P374 HydrophobicContact CG2-CB 4.06Å; V325-P374 PolarHBondContact N-O 3.4Å; P374-P401 HydrophobicContact CB-CG 4.18Å; P374-Y402 HydrophobicContact CG-CD1 3.85Å; P374-Y402 HydrophobicContact CG-CD2 4.45Å; P374-Y402 HydrophobicContact CG-CE1 3.53Å; P374-Y402 HydrophobicContact CG-CE2 4.18Å; P374-Y402 HydrophobicContact CG-CG 4.32Å
375	A	97.6	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.4	-179.1	0	0	0	0	0	109.7	F373 L394 P401 V409	F373-A375 PolarHBondContact O-N 3.36Å; A375-L394 HydrophobicContact CB-CB 4.12Å; A375-L394 HydrophobicContact CB-CD1 4.07Å; A375-L394 HydrophobicContact CB-CG 4.31Å; A375-L394 PolarHBondContact O-N 3.11Å; A375-P401 PolarHBondContact N-O 2.98Å; A375-V409 HydrophobicContact CB-CG1 4.17Å; A375-V409 HydrophobicContact CB-CG2 4.25Å
376	L	98.3	Very high	92.4	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.2	-175.1	-56.3	177.7	0	0	0	111.4	T324 V325 A326 I327 E391 F392 P401 V431	T324-L376 HydrophobicContact CG2-CD1 4.15Å; V325-L376 WeakPolarHBondContact O-CB 3.38Å; V325-L376 PolarHBondContact O-N 2.91Å; A326-L376 CarbonylContact C-O 3.48Å; A326-L376 VanDerWaalsContact CA-O 3.31Å; A326-L376 WeakPolarHBondContact CA-O 3.35Å; I327-L376 PolarHBondContact N-O 3.23Å; L376-E391 HydrophobicContact CD1-CG 4.45Å; L376-F392 CarbonylContact C-O 3.54Å; L376-F392 VanDerWaalsContact CA-O 3.28Å; L376-F392 WeakPolarHBondContact CA-O 3.26Å; L376-P401 HydrophobicContact CD2-CB 4.07Å; L376-V431 HydrophobicContact CD1-CG1 4.49Å
377	G	97.8	Very high	92.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.9	166.5	0	0	0	0	0	111.3	I327 E391 F392	I327-G377 CarbonylContact O-C 3.57Å; I327-G377 VanDerWaalsContact O-CA 3.28Å; I327-G377 WeakPolarHBondContact O-CA 3.46Å; G377-E391 CarbonylContact O-C 3.35Å; G377-E391 VanDerWaalsContact O-CA 3.32Å; G377-E391 WeakPolarHBondContact O-CA 3.19Å; G377-F392 VanDerWaalsContact C-CD1 3.46Å; G377-F392 PolarHBondContact N-O 2.91Å; G377-F392 WeakPolarHBondContact O-CD1 3.35Å; G377-F392 WeakPolarHBondContact O-CE1 3.29Å; G377-F392 PolarHBondContact O-N 3.26Å
378	F	97.4	Very high	93	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.8	174.1	63.1	-88.9	0	0	0	112.2	A326 I327 D328 F329 H390 T426 F428 V431 I453	A326-F378 HydrophobicContact CB-CD1 4.23Å; A326-F378 HydrophobicContact CB-CE1 4.18Å; I327-F378 VanDerWaalsContact O-CD1 3.26Å; I327-F378 WeakPolarHBondContact O-CD1 3.35Å; I327-F378 PolarHBondContact O-N 3.45Å; D328-F378 VanDerWaalsContact CA-CZ 3.5Å; D328-F378 HydrophobicContact CB-CE1 4.16Å; D328-F378 HydrophobicContact CB-CE2 3.78Å; D328-F378 HydrophobicContact CB-CZ 3.5Å; F329-F378 PolarHBondContact N-O 3.38Å; F378-H390 WeakPolarHBondContact CB-O 3.3Å; F378-T426 HydrophobicContact CE2-CG2 3.91Å; F378-F428 AromaticContact CE2-CD1 3.85Å; F378-F428 HydrophobicContact CE2-CD1 3.85Å; F378-F428 AromaticContact CE2-CE1 3.7Å; F378-F428 HydrophobicContact CE2-CE1 3.7Å; F378-F428 AromaticContact CZ-CD1 3.88Å; F378-F428 HydrophobicContact CZ-CD1 3.88Å; F378-F428 AromaticContact CZ-CE1 3.6Å; F378-F428 HydrophobicContact CZ-CE1 3.6Å; F378-V431 HydrophobicContact CB-CG1 4.37Å; F378-V431 HydrophobicContact CD1-CG1 4.27Å; F378-I453 HydrophobicContact CE1-CG2 4.02Å; F378-I453 HydrophobicContact CZ-CG2 3.97Å
379	G	96.3	Very high	93.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	87.4	21.5	174.6	0	0	0	0	0	115.2	F329 S389 Y423 G424	F329-G379 VanDerWaalsContact O-O 3.13Å; G379-S389 PolarHBondContact N-O 3.11Å; G379-Y423 CarbonylContact O-C 3.56Å; G379-Y423 VanDerWaalsContact O-CA 3.26Å; G379-Y423 WeakPolarHBondContact O-CA 3.46Å; G379-Y423 PolarHBondContact O-N 3.18Å; G379-G424 PolarHBondContact O-N 3.22Å
380	A	96.9	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.7	-177.7	0	0	0	0	0	112.9	F329 I388 S389 F392 V420 Q421	F329-A380 HydrophobicContact CB-CB 3.85Å; A380-I388 WeakPolarHBondContact O-CA 3.14Å; A380-S389 PolarHBondContact N-O 3.18Å; A380-S389 PolarHBondContact O-N 3.23Å; A380-F392 HydrophobicContact CB-CE1 3.66Å; A380-F392 HydrophobicContact CB-CZ 3.89Å; A380-V420 HydrophobicContact CB-CB 4.04Å; A380-V420 HydrophobicContact CB-CG2 3.94Å; A380-Q421 CarbonylContact C-O 3.6Å; A380-Q421 WeakPolarHBondContact CA-O 3.46Å
381	K	96.9	Very high	94.7	Very high	52 Å²	52	45.5 Å²	45.5	23%	0.226	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.6	162.3	-72.2	178.7	177.9	175	0	109.6	G386 R387 I388 Q421 Y423	K381-G386 WeakPolarHBondContact CG-O 3.26Å; K381-R387 WeakPolarHBondContact CA-O 3.08Å; K381-I388 HydrophobicContact CG-CG1 3.9Å; K381-Q421 HydrophobicContact CB-CB 4.16Å; K381-Q421 PolarHBondContact N-O 3.33Å; K381-Q421 PolarHBondContact O-N 3.4Å; K381-Y423 HydrophobicContact CD-CD2 4.13Å; K381-Y423 HydrophobicContact CD-CG 4.12Å; K381-Y423 HydrophobicContact CG-CD1 4.17Å; K381-Y423 HydrophobicContact CG-CD2 4.43Å; K381-Y423 HydrophobicContact CG-CG 3.92Å
382	L	94.4	Very high	95	Very high	42 Å²	42	43.1 Å²	43.1	22%	0.22	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.4	-178.8	-56.1	-177.7	0	0	0	111.3	G386 R387 F392 V420	L382-G386 WeakPolarHBondContact O-CA 3.42Å; L382-G386 PolarHBondContact O-N 2.85Å; L382-R387 PolarHBondContact N-O 3.25Å; L382-R387 PolarHBondContact O-N 3.46Å; L382-F392 HydrophobicContact CD1-CB 3.73Å; L382-F392 HydrophobicContact CD1-CG 4.21Å; L382-F392 HydrophobicContact CD2-CB 4.12Å; L382-F392 HydrophobicContact CD2-CD1 3.84Å; L382-F392 HydrophobicContact CD2-CD2 3.81Å; L382-F392 HydrophobicContact CD2-CE1 4.17Å; L382-F392 HydrophobicContact CD2-CE2 4.14Å; L382-F392 HydrophobicContact CD2-CG 3.66Å; L382-F392 HydrophobicContact CD2-CZ 4.31Å; L382-F392 HydrophobicContact CG-CG 4.49Å; L382-V420 HydrophobicContact CD2-CB 4.38Å; L382-V420 HydrophobicContact CD2-CG1 3.66Å
383	P	90.6	Very high	95.1	Very high	78 Å²	78	40.8 Å²	40.8	51%	0.506	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	158.7	167.9	31.3	-34.7	0	0	0	111.3
384	P	89.9	Confident	95.2	Very high	138 Å²	138	41 Å²	41	90%	0.896	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89.2	-14.3	-3.4	35.1	-34.9	0	0	0	114
385	D	90.1	Very high	95.1	Very high	119 Å²	119	42.3 Å²	42.3	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.1	-169.9	63.5	-10	0	0	0	113.8	R387	D385-R387 PolarHBondContact O-N 3.14Å; D385-R387 WeakPolarHBondContact OD1-CB 3.25Å; D385-R387 PolarHBondContact OD1-N 3.31Å; D385-R387 VanDerWaalsContact OD1-N 3.14Å
386	G	90.6	Very high	94.9	Very high	32 Å²	32	45.3 Å²	45.3	33%	0.33	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	22.3	-178.1	0	0	0	0	0	112.6	K381 L382 I388	K381-G386 WeakPolarHBondContact CG-O 3.26Å; L382-G386 WeakPolarHBondContact O-CA 3.42Å; L382-G386 PolarHBondContact O-N 2.85Å; G386-I388 PolarHBondContact O-N 2.85Å
387	R	93.7	Very high	94.7	Very high	166 Å²	166	48.3 Å²	48.3	63%	0.626	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.6	177.9	173.2	179.4	160.6	-170.6	-6.4	110.1	K381 L382 D385 S389	K381-R387 WeakPolarHBondContact CA-O 3.08Å; L382-R387 PolarHBondContact N-O 3.25Å; L382-R387 PolarHBondContact O-N 3.46Å; D385-R387 PolarHBondContact O-N 3.14Å; D385-R387 WeakPolarHBondContact OD1-CB 3.25Å; D385-R387 PolarHBondContact OD1-N 3.31Å; D385-R387 VanDerWaalsContact OD1-N 3.14Å; R387-S389 PolarHBondContact O-N 3.25Å
388	I	95.2	Very high	94.3	Very high	73 Å²	73	53 Å²	53	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	128	172.8	-56.7	162.2	0	0	0	108.5	A380 K381 G386 Y423	A380-I388 WeakPolarHBondContact O-CA 3.14Å; K381-I388 HydrophobicContact CG-CG1 3.9Å; G386-I388 PolarHBondContact O-N 2.85Å; I388-Y423 HydrophobicContact CD1-CD1 3.83Å; I388-Y423 HydrophobicContact CD1-CE1 3.37Å; I388-Y423 HydrophobicContact CG1-CD1 3.67Å; I388-Y423 HydrophobicContact CG1-CE1 3.76Å; I388-Y423 HydrophobicContact CG2-CD1 4.09Å
389	S	95.4	Very high	94.1	Very high	11 Å²	11	60.8 Å²	60.8	8%	0.077	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.9	175.4	-164.9	0	0	0	0	111.5	G379 A380 R387 E391	G379-S389 PolarHBondContact N-O 3.11Å; A380-S389 PolarHBondContact N-O 3.18Å; A380-S389 PolarHBondContact O-N 3.23Å; R387-S389 PolarHBondContact O-N 3.25Å; S389-E391 PolarHBondContact OG-N 2.63Å; S389-E391 PolarHBondContact OG-O 2.83Å
390	H	95	Very high	94	Very high	43 Å²	43	64.3 Å²	64.3	20%	0.199	36%	0.361	C	S	.	.	S	Bend	trans	-106.1	12.3	171.4	-59.6	-72.6	0	0	0	112	F378 P425 N427 P430	F378-H390 WeakPolarHBondContact CB-O 3.3Å; H390-P425 PolarHBondContact CE1-O 3.3Å; H390-P425 PolarHBondContact ND1-O 3.46Å; H390-N427 HydrophobicContact CB-CB 4.36Å; H390-N427 PolarHBondContact CE1-ND2 3.3Å; H390-P430 HydrophobicContact CB-CB 4.26Å; H390-P430 HydrophobicContact CB-CG 3.82Å
391	E	95.8	Very high	93.9	Very high	58 Å²	58	64.9 Å²	64.9	27%	0.271	37%	0.365	S	S	.	.	S	Bend	trans	-164.5	114.2	174	-174.7	-165.7	120.1	0	0	108.2	L376 G377 S389 P430 V431 H434 R437	L376-E391 HydrophobicContact CD1-CG 4.45Å; G377-E391 CarbonylContact O-C 3.35Å; G377-E391 VanDerWaalsContact O-CA 3.32Å; G377-E391 WeakPolarHBondContact O-CA 3.19Å; S389-E391 PolarHBondContact OG-N 2.63Å; S389-E391 PolarHBondContact OG-O 2.83Å; E391-P430 HydrophobicContact CB-CB 4.43Å; E391-V431 HydrophobicContact CG-CG1 4.43Å; E391-H434 IonicContact OE1-CE1 3.3Å; E391-H434 PolarHBondContact OE1-CE1 3.04Å; E391-H434 IonicContact OE1-CG 2.9Å; E391-H434 IonicContact OE1-ND1 2.74Å; E391-H434 PolarHBondContact OE1-ND1 3.48Å; E391-H434 WeakPolarHBondContact OE2-CB 3.18Å; E391-H434 IonicContact OE2-CG 3.3Å; E391-H434 IonicContact OE2-ND1 2.8Å; E391-H434 PolarHBondContact OE2-ND1 3.27Å; E391-R437 IonicContact OE2-NH2 3.4Å
392	F	96.8	Very high	93.9	Very high	16 Å²	16	66.5 Å²	66.5	7%	0.07	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.4	175.8	63.4	-90.3	0	0	0	112.2	F329 L376 G377 A380 L382 L394 S416 V420	F329-F392 HydrophobicContact CB-CZ 4.3Å; F329-F392 HydrophobicContact CD1-CZ 4.33Å; F329-F392 HydrophobicContact CD2-CZ 4.12Å; F329-F392 HydrophobicContact CG-CZ 4.02Å; L376-F392 CarbonylContact C-O 3.54Å; L376-F392 VanDerWaalsContact CA-O 3.28Å; L376-F392 WeakPolarHBondContact CA-O 3.26Å; G377-F392 VanDerWaalsContact C-CD1 3.46Å; G377-F392 PolarHBondContact N-O 2.91Å; G377-F392 WeakPolarHBondContact O-CD1 3.35Å; G377-F392 WeakPolarHBondContact O-CE1 3.29Å; G377-F392 PolarHBondContact O-N 3.26Å; A380-F392 HydrophobicContact CB-CE1 3.66Å; A380-F392 HydrophobicContact CB-CZ 3.89Å; L382-F392 HydrophobicContact CD1-CB 3.73Å; L382-F392 HydrophobicContact CD1-CG 4.21Å; L382-F392 HydrophobicContact CD2-CB 4.12Å; L382-F392 HydrophobicContact CD2-CD1 3.84Å; L382-F392 HydrophobicContact CD2-CD2 3.81Å; L382-F392 HydrophobicContact CD2-CE1 4.17Å; L382-F392 HydrophobicContact CD2-CE2 4.14Å; L382-F392 HydrophobicContact CD2-CG 3.66Å; L382-F392 HydrophobicContact CD2-CZ 4.31Å; L382-F392 HydrophobicContact CG-CG 4.49Å; F392-L394 HydrophobicContact CD2-CD2 4.31Å; F392-L394 HydrophobicContact CE2-CD2 3.69Å; F392-L394 HydrophobicContact CZ-CD2 4.29Å; F392-L394 PolarHBondContact O-N 3.09Å; F392-S416 WeakPolarHBondContact CE2-OG 3.12Å; F392-V420 HydrophobicContact CE2-CG1 4.02Å; F392-V420 HydrophobicContact CZ-CG1 4.3Å; F392-V420 HydrophobicContact CZ-CG2 4.46Å
393	A	97.2	Very high	94	Very high	12 Å²	12	64.9 Å²	64.9	10%	0.099	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	122.5	178.5	0	0	0	0	0	111	N395 G396 N397 P401	A393-N395 VanDerWaalsContact C-N 3.26Å; A393-N395 PolarHBondContact O-N 2.86Å; A393-G396 PolarHBondContact O-N 2.82Å; A393-G396 VanDerWaalsContact O-N 3.09Å; A393-N397 WeakPolarHBondContact CB-O 3.3Å; A393-P401 HydrophobicContact CB-CB 3.83Å
394	L	97.3	Very high	94.2	Very high	4 Å²	4	67 Å²	67	2%	0.021	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.7	-179.1	-64.5	-175.3	0	0	0	112.4	I327 F329 A375 F392 G396 A412	I327-L394 HydrophobicContact CB-CD1 4.48Å; I327-L394 HydrophobicContact CD1-CD1 3.53Å; I327-L394 HydrophobicContact CG1-CD1 4.07Å; F329-L394 HydrophobicContact CD2-CD2 4.5Å; F329-L394 HydrophobicContact CE2-CD2 3.62Å; F329-L394 HydrophobicContact CZ-CD2 3.83Å; A375-L394 HydrophobicContact CB-CB 4.12Å; A375-L394 HydrophobicContact CB-CD1 4.07Å; A375-L394 HydrophobicContact CB-CG 4.31Å; A375-L394 PolarHBondContact O-N 3.11Å; F392-L394 HydrophobicContact CD2-CD2 4.31Å; F392-L394 HydrophobicContact CE2-CD2 3.69Å; F392-L394 HydrophobicContact CZ-CD2 4.29Å; F392-L394 PolarHBondContact O-N 3.09Å; L394-G396 PolarHBondContact O-N 2.78Å; L394-A412 HydrophobicContact CB-CB 3.93Å
395	N	95	Very high	94.4	Very high	40 Å²	40	60.9 Å²	60.9	21%	0.214	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-4.2	177.2	71.3	3.2	0	0	0	113.4	A393 N397 N400 Y402 A412	A393-N395 VanDerWaalsContact C-N 3.26Å; A393-N395 PolarHBondContact O-N 2.86Å; N395-N397 VanDerWaalsContact C-N 3.33Å; N395-N397 PolarHBondContact OD1-N 3.15Å; N395-N400 PolarHBondContact ND2-O 2.78Å; N395-Y402 PolarHBondContact ND2-O 2.68Å; N395-Y402 VanDerWaalsContact ND2-O 3.14Å; N395-A412 HydrophobicContact CB-CB 4.23Å
396	G	92.9	Very high	94.6	Very high	64 Å²	64	55.4 Å²	55.4	66%	0.66	30%	0.302	S	S	*	.	S	Bend	trans	80.8	6.3	179.9	0	0	0	0	0	114.9	A393 L394 P398	A393-G396 PolarHBondContact O-N 2.82Å; A393-G396 VanDerWaalsContact O-N 3.09Å; L394-G396 PolarHBondContact O-N 2.78Å; G396-P398 WeakPolarHBondContact O-CD 3.38Å
397	N	93.6	Very high	94.8	Very high	66 Å²	66	59.3 Å²	59.3	35%	0.353	31%	0.312	S	S	.	.			trans	-114.5	95.5	178	-174.5	-11.3	0	0	0	111	A393 N395 Q399 N400	A393-N397 WeakPolarHBondContact CB-O 3.3Å; N395-N397 VanDerWaalsContact C-N 3.33Å; N395-N397 PolarHBondContact OD1-N 3.15Å; N397-Q399 PolarHBondContact O-N 2.81Å; N397-Q399 VanDerWaalsContact O-N 3.17Å; N397-Q399 PolarHBondContact OD1-N 2.87Å; N397-Q399 VanDerWaalsContact OD1-N 3.09Å; N397-Q399 PolarHBondContact OD1-OE1 2.95Å; N397-N400 CarbonylContact O-C 3.16Å; N397-N400 PolarHBondContact O-N 3.06Å; N397-N400 VanDerWaalsContact O-N 3.09Å; N397-N400 PolarHBondContact OD1-N 2.91Å
398	P	89.9	Confident	95	Very high	98 Å²	98	52.1 Å²	52.1	64%	0.636	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.5	-179.6	-23.2	34.3	0	0	0	114.6	G396	G396-P398 WeakPolarHBondContact O-CD 3.38Å
399	Q	92.8	Very high	95.1	Very high	164 Å²	164	48.7 Å²	48.7	77%	0.766	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-21.2	178.2	-69.5	72	35.5	0	0	112.3	N397	N397-Q399 PolarHBondContact O-N 2.81Å; N397-Q399 VanDerWaalsContact O-N 3.17Å; N397-Q399 PolarHBondContact OD1-N 2.87Å; N397-Q399 VanDerWaalsContact OD1-N 3.09Å; N397-Q399 PolarHBondContact OD1-OE1 2.95Å
400	N	93.5	Very high	95.2	Very high	74 Å²	74	48.7 Å²	48.7	40%	0.396	27%	0.271	S	S	.	.			trans	-146.8	86.7	-179.2	-177.9	14.1	0	0	0	109.8	N395 N397 Y402	N395-N400 PolarHBondContact ND2-O 2.78Å; N397-N400 CarbonylContact O-C 3.16Å; N397-N400 PolarHBondContact O-N 3.06Å; N397-N400 VanDerWaalsContact O-N 3.09Å; N397-N400 PolarHBondContact OD1-N 2.91Å; N400-Y402 PolarHBondContact O-N 2.9Å; N400-Y402 WeakPolarHBondContact OD1-CB 3.24Å; N400-Y402 WeakPolarHBondContact OD1-CD2 3.28Å; N400-Y402 PolarHBondContact OD1-N 2.96Å
401	P	95.4	Very high	95.2	Very high	13 Å²	13	52 Å²	52	8%	0.084	29%	0.286	C	S	.	.			trans	-76.9	4.6	-178.3	32.8	-37.4	0	0	0	113.9	P374 A375 L376 A393	P374-P401 HydrophobicContact CB-CG 4.18Å; A375-P401 PolarHBondContact N-O 2.98Å; L376-P401 HydrophobicContact CD2-CB 4.07Å; A393-P401 HydrophobicContact CB-CB 3.83Å
402	Y	96.3	Very high	95.3	Very high	85 Å²	85	49.5 Å²	49.5	33%	0.333	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	139.4	-171.9	-67.7	-104.3	0	0	0	112.3	M372 F373 P374 N395 N400	M372-Y402 HydrophobicContact CB-CD1 3.73Å; M372-Y402 HydrophobicContact CB-CG 4.45Å; M372-Y402 VanDerWaalsContact O-CD1 3.24Å; M372-Y402 WeakPolarHBondContact O-CD1 3.13Å; F373-Y402 CarbonylContact O-C 3.53Å; F373-Y402 WeakPolarHBondContact O-CA 3.4Å; P374-Y402 HydrophobicContact CG-CD1 3.85Å; P374-Y402 HydrophobicContact CG-CD2 4.45Å; P374-Y402 HydrophobicContact CG-CE1 3.53Å; P374-Y402 HydrophobicContact CG-CE2 4.18Å; P374-Y402 HydrophobicContact CG-CG 4.32Å; N395-Y402 PolarHBondContact ND2-O 2.68Å; N395-Y402 VanDerWaalsContact ND2-O 3.14Å; N400-Y402 PolarHBondContact O-N 2.9Å; N400-Y402 WeakPolarHBondContact OD1-CB 3.24Å; N400-Y402 WeakPolarHBondContact OD1-CD2 3.28Å; N400-Y402 PolarHBondContact OD1-N 2.96Å
403	C	96.6	Very high	95.3	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.2	177.8	-74	0	0	0	0	110	M372 F373 G405 V409	M372-C403 CarbonylContact C-O 3.6Å; M372-C403 WeakPolarHBondContact CA-O 3.48Å; F373-C403 PolarHBondContact N-O 3.34Å; F373-C403 PolarHBondContact O-N 3.32Å; C403-G405 PolarHBondContact O-N 3.43Å; C403-V409 HydrophobicContact CB-CB 4.48Å; C403-V409 HydrophobicContact CB-CG2 3.75Å
404	D	95.3	Very high	95.3	Very high	122 Å²	122	50.7 Å²	50.7	65%	0.652	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	105	177.8	-178.9	19.5	0	0	0	110.8	M372 G408	M372-D404 HydrophobicContact SD-CB 4.28Å; D404-G408 VanDerWaalsContact O-CA 3.3Å; D404-G408 WeakPolarHBondContact O-CA 3.46Å; D404-G408 PolarHBondContact O-N 2.75Å
405	G	94.6	Very high	95.2	Very high	10 Å²	10	57 Å²	57	10%	0.103	30%	0.301	C	S	.	.	H	α-helix	trans	65.6	178	-179.7	0	0	0	0	0	114.5	K371 C403 E407 G408 V409	K371-G405 WeakPolarHBondContact O-CA 3.42Å; K371-G405 PolarHBondContact O-N 2.88Å; C403-G405 PolarHBondContact O-N 3.43Å; G405-E407 PolarHBondContact O-N 2.9Å; G405-G408 PolarHBondContact O-N 2.96Å; G405-V409 PolarHBondContact O-N 3.38Å
406	I	94.8	Very high	95.2	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-30.5	176.9	-167.3	55.4	0	0	0	112.1	L357 E362 V409 M410	L357-I406 HydrophobicContact CB-CD1 4.37Å; L357-I406 WeakPolarHBondContact O-CD1 3.31Å; E362-I406 HydrophobicContact CG-CG2 4.09Å; I406-V409 HydrophobicContact CD1-CB 4.2Å; I406-V409 HydrophobicContact CD1-CG1 4.43Å; I406-V409 WeakPolarHBondContact O-CB 3.46Å; I406-V409 PolarHBondContact O-N 3Å; I406-M410 VanDerWaalsContact O-CG 3.23Å; I406-M410 WeakPolarHBondContact O-CG 3.43Å; I406-M410 PolarHBondContact O-N 3.09Å
407	E	94.8	Very high	95.3	Very high	114 Å²	114	52.8 Å²	52.8	53%	0.533	26%	0.264	S	S	.	.	H	α-helix	trans	-65.6	-38.7	175.7	-66.4	-63.8	150.6	0	0	111.5	K358 G405 M410 E411	K358-E407 IonicContact NZ-OE1 3.84Å; G405-E407 PolarHBondContact O-N 2.9Å; E407-M410 WeakPolarHBondContact O-CB 3.39Å; E407-M410 PolarHBondContact O-N 3.15Å; E407-E411 PolarHBondContact O-N 3.32Å
408	G	96.8	Very high	95.3	Very high	16 Å²	16	57.4 Å²	57.4	17%	0.165	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-38.1	173.1	0	0	0	0	0	113	D404 G405 E411 A412	D404-G408 VanDerWaalsContact O-CA 3.3Å; D404-G408 WeakPolarHBondContact O-CA 3.46Å; D404-G408 PolarHBondContact O-N 2.75Å; G405-G408 PolarHBondContact O-N 2.96Å; G408-E411 PolarHBondContact O-N 3.24Å; G408-A412 WeakPolarHBondContact O-CB 3.12Å; G408-A412 PolarHBondContact O-N 3.34Å
409	V	97.5	Very high	95.4	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-44.8	173.5	175.3	0	0	0	0	110.5	V325 F373 A375 C403 G405 I406 E411 A412 Y413	V325-V409 HydrophobicContact CB-CG1 4.28Å; V325-V409 HydrophobicContact CG1-CG1 4.23Å; V325-V409 HydrophobicContact CG2-CG1 4.25Å; F373-V409 HydrophobicContact CB-CG2 3.82Å; F373-V409 HydrophobicContact CD2-CG2 4.27Å; A375-V409 HydrophobicContact CB-CG1 4.17Å; A375-V409 HydrophobicContact CB-CG2 4.25Å; C403-V409 HydrophobicContact CB-CB 4.48Å; C403-V409 HydrophobicContact CB-CG2 3.75Å; G405-V409 PolarHBondContact O-N 3.38Å; I406-V409 HydrophobicContact CD1-CB 4.2Å; I406-V409 HydrophobicContact CD1-CG1 4.43Å; I406-V409 WeakPolarHBondContact O-CB 3.46Å; I406-V409 PolarHBondContact O-N 3Å; V409-E411 PolarHBondContact O-N 2.85Å; V409-A412 PolarHBondContact O-N 3.19Å; V409-Y413 WeakPolarHBondContact O-CB 3.33Å; V409-Y413 PolarHBondContact O-N 3Å
410	M	96.5	Very high	95.5	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.054	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-43.1	177.7	-71.8	-69	-75.4	0	0	111.9	L350 L357 I406 E407 Y413 Y414	L350-M410 HydrophobicContact CD1-CE 4.32Å; L350-M410 HydrophobicContact CD2-CE 3.62Å; L357-M410 HydrophobicContact CB-SD 3.79Å; L357-M410 HydrophobicContact CD1-SD 3.72Å; L357-M410 HydrophobicContact CG-SD 4.43Å; I406-M410 VanDerWaalsContact O-CG 3.23Å; I406-M410 WeakPolarHBondContact O-CG 3.43Å; I406-M410 PolarHBondContact O-N 3.09Å; E407-M410 WeakPolarHBondContact O-CB 3.39Å; E407-M410 PolarHBondContact O-N 3.15Å; M410-Y413 PolarHBondContact O-N 3.4Å; M410-Y414 HydrophobicContact CE-CE2 3.85Å; M410-Y414 WeakPolarHBondContact O-CD2 3.08Å; M410-Y414 PolarHBondContact O-N 2.9Å; M410-Y414 VanDerWaalsContact O-N 3.1Å
411	E	96	Very high	95.7	Very high	113 Å²	113	51.3 Å²	51.3	53%	0.528	25%	0.25	S	S	.	.	H	α-helix	trans	-61.7	-46.5	175.2	-166.8	-169	161.7	0	0	111.5	E407 G408 V409 Y413 Y414 R415	E407-E411 PolarHBondContact O-N 3.32Å; G408-E411 PolarHBondContact O-N 3.24Å; V409-E411 PolarHBondContact O-N 2.85Å; E411-Y413 PolarHBondContact O-N 2.92Å; E411-Y414 PolarHBondContact O-N 3.28Å; E411-R415 VanDerWaalsContact O-CB 3.29Å; E411-R415 WeakPolarHBondContact O-CB 3.4Å; E411-R415 PolarHBondContact O-N 3.32Å; E411-R415 IonicContact OE1-CZ 3.4Å; E411-R415 IonicContact OE1-NH2 3.47Å; E411-R415 PolarHBondContact OE1-NH2 3.32Å
412	A	97.6	Very high	95.7	Very high	6 Å²	6	51.8 Å²	51.8	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-43	178.3	0	0	0	0	0	112	L394 N395 G408 V409 R415 S416	L394-A412 HydrophobicContact CB-CB 3.93Å; N395-A412 HydrophobicContact CB-CB 4.23Å; G408-A412 WeakPolarHBondContact O-CB 3.12Å; G408-A412 PolarHBondContact O-N 3.34Å; V409-A412 PolarHBondContact O-N 3.19Å; A412-R415 PolarHBondContact O-N 3.35Å; A412-S416 VanDerWaalsContact O-CB 3.27Å; A412-S416 WeakPolarHBondContact O-CB 3.46Å; A412-S416 PolarHBondContact O-N 2.91Å
413	Y	97.8	Very high	95.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.3	-54.5	174.7	163.2	-119.4	0	0	0	112.1	I327 F329 H343 N351 Y353 L357 V409 M410 E411 R415 S416 L417	I327-Y413 HydrophobicContact CD1-CD2 3.51Å; I327-Y413 HydrophobicContact CD1-CE2 4.27Å; I327-Y413 HydrophobicContact CD1-CG 3.8Å; I327-Y413 HydrophobicContact CG2-CD2 4.02Å; I327-Y413 HydrophobicContact CG2-CE2 3.9Å; F329-Y413 HydrophobicContact CE2-CD2 4.05Å; F329-Y413 HydrophobicContact CE2-CE2 4.34Å; F329-Y413 AromaticContact CZ-CD2 3.77Å; F329-Y413 HydrophobicContact CZ-CD2 3.77Å; F329-Y413 HydrophobicContact CZ-CE2 4.13Å; H343-Y413 AromaticContact ND1-CE2 3.68Å; H343-Y413 AromaticContact ND1-CZ 3.68Å; H343-Y413 PolarHBondContact ND1-OH 3.22Å; N351-Y413 PolarHBondContact ND2-OH 2.64Å; N351-Y413 PolarHBondContact OD1-OH 3.43Å; Y353-Y413 WeakPolarHBondContact CB-OH 3.16Å; L357-Y413 HydrophobicContact CD1-CD1 4.29Å; L357-Y413 HydrophobicContact CD1-CG 4.4Å; V409-Y413 WeakPolarHBondContact O-CB 3.33Å; V409-Y413 PolarHBondContact O-N 3Å; M410-Y413 PolarHBondContact O-N 3.4Å; E411-Y413 PolarHBondContact O-N 2.92Å; Y413-R415 VanDerWaalsContact C-N 3.31Å; Y413-R415 PolarHBondContact O-N 3.11Å; Y413-S416 PolarHBondContact O-N 3.24Å; Y413-L417 HydrophobicContact CD2-CD1 4.18Å; Y413-L417 HydrophobicContact CD2-CG 4.29Å; Y413-L417 HydrophobicContact CE1-CD1 4.09Å; Y413-L417 HydrophobicContact CE2-CD1 3.53Å; Y413-L417 HydrophobicContact CE2-CD2 4.33Å; Y413-L417 HydrophobicContact CE2-CG 3.89Å; Y413-L417 VanDerWaalsContact CZ-CD1 3.5Å; Y413-L417 PolarHBondContact O-N 3.23Å
414	Y	95.4	Very high	95.5	Very high	53 Å²	53	52.9 Å²	52.9	21%	0.208	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-30.9	-179.6	-70.9	-57.2	0	0	0	113.3	M345 L350 M410 E411 L417	M345-Y414 HydrophobicContact CG-CD1 3.83Å; M345-Y414 HydrophobicContact CG-CE1 4.17Å; M345-Y414 HydrophobicContact SD-CD1 4.12Å; L350-Y414 WeakPolarHBondContact CD2-OH 3.31Å; M410-Y414 HydrophobicContact CE-CE2 3.85Å; M410-Y414 WeakPolarHBondContact O-CD2 3.08Å; M410-Y414 PolarHBondContact O-N 2.9Å; M410-Y414 VanDerWaalsContact O-N 3.1Å; E411-Y414 PolarHBondContact O-N 3.28Å; Y414-L417 HydrophobicContact CD1-CD1 4.31Å
415	R	95.4	Very high	95.4	Very high	137 Å²	137	50 Å²	50	52%	0.517	25%	0.248	S	C	.	.	H	α-helix	trans	-67.4	-44.2	173.3	-172	-175.2	-63.9	-177.2	-0.5	110.9	E411 A412 Y413 K418	E411-R415 VanDerWaalsContact O-CB 3.29Å; E411-R415 WeakPolarHBondContact O-CB 3.4Å; E411-R415 PolarHBondContact O-N 3.32Å; E411-R415 IonicContact OE1-CZ 3.4Å; E411-R415 IonicContact OE1-NH2 3.47Å; E411-R415 PolarHBondContact OE1-NH2 3.32Å; A412-R415 PolarHBondContact O-N 3.35Å; Y413-R415 VanDerWaalsContact C-N 3.31Å; Y413-R415 PolarHBondContact O-N 3.11Å; R415-K418 PolarHBondContact O-N 3.19Å
416	S	96	Very high	95.4	Very high	4 Å²	4	50 Å²	50	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-40	-179.3	-164.3	0	0	0	0	112.4	F392 A412 Y413 K418 S419 V420	F392-S416 WeakPolarHBondContact CE2-OG 3.12Å; A412-S416 VanDerWaalsContact O-CB 3.27Å; A412-S416 WeakPolarHBondContact O-CB 3.46Å; A412-S416 PolarHBondContact O-N 2.91Å; Y413-S416 PolarHBondContact O-N 3.24Å; S416-K418 PolarHBondContact O-N 3.21Å; S416-S419 PolarHBondContact O-N 2.92Å; S416-S419 PolarHBondContact O-OG 3.42Å; S416-S419 VanDerWaalsContact O-OG 3.07Å; S416-V420 WeakPolarHBondContact O-CG2 3.35Å; S416-V420 PolarHBondContact O-N 2.93Å
417	L	95.2	Very high	95.4	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.052	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.8	175.6	-80.1	174.6	0	0	0	114.3	F329 P336 H343 M345 Y413 Y414 L422	F329-L417 HydrophobicContact CD1-CD2 3.79Å; F329-L417 HydrophobicContact CE1-CB 4.32Å; F329-L417 HydrophobicContact CE1-CD2 3.41Å; F329-L417 VanDerWaalsContact CE1-CD2 3.41Å; F329-L417 HydrophobicContact CE1-CG 3.66Å; F329-L417 HydrophobicContact CZ-CD2 4.09Å; F329-L417 HydrophobicContact CZ-CG 4.04Å; P336-L417 HydrophobicContact CB-CD2 4.48Å; P336-L417 HydrophobicContact CG-CD2 3.93Å; H343-L417 HydrophobicContact CB-CD1 4Å; H343-L417 HydrophobicContact CB-CD2 3.8Å; M345-L417 HydrophobicContact CE-CB 4.48Å; M345-L417 HydrophobicContact CG-CD1 4.38Å; M345-L417 HydrophobicContact SD-CB 4.43Å; Y413-L417 HydrophobicContact CD2-CD1 4.18Å; Y413-L417 HydrophobicContact CD2-CG 4.29Å; Y413-L417 HydrophobicContact CE1-CD1 4.09Å; Y413-L417 HydrophobicContact CE2-CD1 3.53Å; Y413-L417 HydrophobicContact CE2-CD2 4.33Å; Y413-L417 HydrophobicContact CE2-CG 3.89Å; Y413-L417 VanDerWaalsContact CZ-CD1 3.5Å; Y413-L417 PolarHBondContact O-N 3.23Å; Y414-L417 HydrophobicContact CD1-CD1 4.31Å; L417-L422 HydrophobicContact CD2-CD2 4.28Å
418	K	93.6	Very high	95.5	Very high	163 Å²	163	45.7 Å²	45.7	71%	0.709	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-17.3	178.7	-63.4	172.3	-174.7	174.8	0	113.2	M345 R415 S416	M345-K418 HydrophobicContact CE-CG 4.11Å; M345-K418 HydrophobicContact SD-CG 4.4Å; R415-K418 PolarHBondContact O-N 3.19Å; S416-K418 PolarHBondContact O-N 3.21Å
419	S	92.1	Very high	95.6	Very high	70 Å²	70	45.2 Å²	45.2	49%	0.49	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-32.3	-171.9	62.3	0	0	0	0	113.6	S416	S416-S419 PolarHBondContact O-N 2.92Å; S416-S419 PolarHBondContact O-OG 3.42Å; S416-S419 VanDerWaalsContact O-OG 3.07Å
420	V	94.9	Very high	95.6	Very high	19 Å²	19	47 Å²	47	12%	0.115	23%	0.232	C	C	.	.	S	Bend	trans	-91.6	156.1	-179	-50.7	0	0	0	0	111.7	F329 A380 L382 F392 S416	F329-V420 HydrophobicContact CD1-CG2 3.38Å; F329-V420 HydrophobicContact CE1-CG2 3.74Å; F329-V420 HydrophobicContact CG-CG2 4.36Å; A380-V420 HydrophobicContact CB-CB 4.04Å; A380-V420 HydrophobicContact CB-CG2 3.94Å; L382-V420 HydrophobicContact CD2-CB 4.38Å; L382-V420 HydrophobicContact CD2-CG1 3.66Å; F392-V420 HydrophobicContact CE2-CG1 4.02Å; F392-V420 HydrophobicContact CZ-CG1 4.3Å; F392-V420 HydrophobicContact CZ-CG2 4.46Å; S416-V420 WeakPolarHBondContact O-CG2 3.35Å; S416-V420 PolarHBondContact O-N 2.93Å
421	Q	96.4	Very high	95.6	Very high	120 Å²	120	46.4 Å²	46.4	56%	0.561	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.1	171.3	174.8	-178.6	23.6	0	0	109.5	A380 K381 Y423	A380-Q421 CarbonylContact C-O 3.6Å; A380-Q421 WeakPolarHBondContact CA-O 3.46Å; K381-Q421 HydrophobicContact CB-CB 4.16Å; K381-Q421 PolarHBondContact N-O 3.33Å; K381-Q421 PolarHBondContact O-N 3.4Å; Q421-Y423 PolarHBondContact O-N 3.49Å
422	L	96.3	Very high	95.7	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.12	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	135.1	177.5	-52	-175.6	0	0	0	111.3	F329 A331 N333 G334 P336 L417	F329-L422 HydrophobicContact CB-CD2 3.77Å; F329-L422 HydrophobicContact CD1-CD2 3.65Å; F329-L422 HydrophobicContact CG-CD2 4.09Å; F329-L422 WeakPolarHBondContact O-CA 3.42Å; F329-L422 VanDerWaalsContact O-CB 3.3Å; F329-L422 WeakPolarHBondContact O-CB 3.4Å; F329-L422 VanDerWaalsContact O-CD2 3.24Å; F329-L422 WeakPolarHBondContact O-CD2 3.22Å; A331-L422 HydrophobicContact CB-CB 4.48Å; N333-L422 HydrophobicContact CB-CD1 4.37Å; G334-L422 WeakPolarHBondContact O-CD1 3.21Å; P336-L422 HydrophobicContact CG-CD1 3.91Å; P336-L422 HydrophobicContact CG-CG 4.4Å; L417-L422 HydrophobicContact CD2-CD2 4.28Å
423	Y	95.4	Very high	95.8	Very high	100 Å²	100	43.8 Å²	43.8	39%	0.392	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-149	-137.6	-173.2	-162.3	-110.9	0	0	0	113	F329 T330 A331 G379 K381 I388 Q421	F329-Y423 PolarHBondContact O-N 2.9Å; T330-Y423 CarbonylContact C-O 3.48Å; T330-Y423 WeakPolarHBondContact CA-O 3.48Å; T330-Y423 VanDerWaalsContact CB-O 3.25Å; T330-Y423 WeakPolarHBondContact CB-O 3.37Å; A331-Y423 PolarHBondContact N-O 3.16Å; G379-Y423 CarbonylContact O-C 3.56Å; G379-Y423 VanDerWaalsContact O-CA 3.26Å; G379-Y423 WeakPolarHBondContact O-CA 3.46Å; G379-Y423 PolarHBondContact O-N 3.18Å; K381-Y423 HydrophobicContact CD-CD2 4.13Å; K381-Y423 HydrophobicContact CD-CG 4.12Å; K381-Y423 HydrophobicContact CG-CD1 4.17Å; K381-Y423 HydrophobicContact CG-CD2 4.43Å; K381-Y423 HydrophobicContact CG-CG 3.92Å; I388-Y423 HydrophobicContact CD1-CD1 3.83Å; I388-Y423 HydrophobicContact CD1-CE1 3.37Å; I388-Y423 HydrophobicContact CG1-CD1 3.67Å; I388-Y423 HydrophobicContact CG1-CE1 3.76Å; I388-Y423 HydrophobicContact CG2-CD1 4.09Å; Q421-Y423 PolarHBondContact O-N 3.49Å
424	G	92.3	Very high	95.7	Very high	16 Å²	16	44.6 Å²	44.6	17%	0.165	22%	0.222	C	C	.	.			trans	-179.9	-179.4	179.3	0	0	0	0	0	111.6	G379	G379-G424 PolarHBondContact O-N 3.22Å
425	P	94.4	Very high	95.8	Very high	62 Å²	62	42.2 Å²	42.2	40%	0.403	21%	0.213	S	C	.	.			cis	-74.5	175.2	-1.2	30.4	-37.6	0	0	0	115.2	H390 N427 S460	H390-P425 PolarHBondContact CE1-O 3.3Å; H390-P425 PolarHBondContact ND1-O 3.46Å; P425-N427 PolarHBondContact O-N 2.99Å; P425-S460 WeakPolarHBondContact CB-OG 3.48Å
426	T	93.8	Very high	95.9	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.067	19%	0.193	C	C	.	.			trans	-83	103.3	174	-44.5	0	0	0	0	110.1	D328 F378 F428 V458 S460	D328-T426 WeakPolarHBondContact OD2-CG2 3.28Å; F378-T426 HydrophobicContact CE2-CG2 3.91Å; T426-F428 HydrophobicContact CG2-CD1 4.46Å; T426-F428 HydrophobicContact CG2-CE1 3.78Å; T426-V458 VanDerWaalsContact CB-O 3.32Å; T426-V458 WeakPolarHBondContact CB-O 3.34Å; T426-S460 PolarHBondContact N-OG 3.06Å; T426-S460 VanDerWaalsContact O-CB 3.31Å; T426-S460 WeakPolarHBondContact O-CB 3.44Å; T426-S460 PolarHBondContact O-N 3.29Å
427	N	95.6	Very high	96	Very high	26 Å²	26	42.7 Å²	42.7	14%	0.139	22%	0.217	C	C	.	.			trans	-123.4	118.5	-174.6	-69.9	-13	0	0	0	111.4	H390 P425 P430 D461	H390-N427 HydrophobicContact CB-CB 4.36Å; H390-N427 PolarHBondContact CE1-ND2 3.3Å; P425-N427 PolarHBondContact O-N 2.99Å; N427-P430 HydrophobicContact CB-CG 4.39Å; N427-D461 VanDerWaalsContact CA-CG 3.46Å; N427-D461 VanDerWaalsContact CA-OD1 3.31Å; N427-D461 WeakPolarHBondContact CA-OD1 3.27Å; N427-D461 WeakPolarHBondContact CA-OD2 3.39Å; N427-D461 HydrophobicContact CB-CB 4.3Å; N427-D461 WeakPolarHBondContact CB-OD2 3.47Å; N427-D461 WeakPolarHBondContact OD1-CB 3.48Å
428	F	97	Very high	95.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.			trans	-93.2	-26.3	-179.6	-66.5	-4.1	0	0	0	113.1	F378 T426 P430 V431 I432 I453 T455 I459 D461 T465 I481 M492	F378-F428 AromaticContact CE2-CD1 3.85Å; F378-F428 HydrophobicContact CE2-CD1 3.85Å; F378-F428 AromaticContact CE2-CE1 3.7Å; F378-F428 HydrophobicContact CE2-CE1 3.7Å; F378-F428 AromaticContact CZ-CD1 3.88Å; F378-F428 HydrophobicContact CZ-CD1 3.88Å; F378-F428 AromaticContact CZ-CE1 3.6Å; F378-F428 HydrophobicContact CZ-CE1 3.6Å; T426-F428 HydrophobicContact CG2-CD1 4.46Å; T426-F428 HydrophobicContact CG2-CE1 3.78Å; F428-P430 VanDerWaalsContact C-N 3.3Å; F428-V431 WeakPolarHBondContact O-CG2 3.4Å; F428-V431 PolarHBondContact O-N 2.71Å; F428-I432 HydrophobicContact CB-CD1 4.01Å; F428-I432 WeakPolarHBondContact O-CG1 3.28Å; F428-I432 PolarHBondContact O-N 2.9Å; F428-I432 VanDerWaalsContact O-N 3.07Å; F428-I453 HydrophobicContact CB-CD1 4.31Å; F428-I453 HydrophobicContact CD1-CG2 4.15Å; F428-I453 HydrophobicContact CD2-CD1 4.18Å; F428-I453 HydrophobicContact CD2-CG2 4.47Å; F428-I453 HydrophobicContact CE1-CG2 3.9Å; F428-I453 HydrophobicContact CE2-CG2 4.22Å; F428-I453 HydrophobicContact CG-CD1 4.18Å; F428-I453 HydrophobicContact CG-CG2 4.46Å; F428-I453 HydrophobicContact CZ-CG2 3.96Å; F428-T455 HydrophobicContact CE1-CG2 4.25Å; F428-T455 HydrophobicContact CE2-CG2 4.35Å; F428-T455 HydrophobicContact CZ-CG2 3.48Å; F428-T455 VanDerWaalsContact CZ-CG2 3.48Å; F428-I459 HydrophobicContact CD2-CD1 3.62Å; F428-I459 HydrophobicContact CD2-CG1 3.99Å; F428-I459 HydrophobicContact CE2-CD1 3.38Å; F428-I459 HydrophobicContact CE2-CG1 3.57Å; F428-I459 HydrophobicContact CZ-CD1 4.18Å; F428-I459 HydrophobicContact CZ-CG1 3.85Å; F428-D461 PolarHBondContact N-OD1 2.82Å; F428-D461 PolarHBondContact N-OD2 3.31Å; F428-T465 HydrophobicContact CB-CG2 4.12Å; F428-T465 HydrophobicContact CD2-CG2 4.45Å; F428-I481 HydrophobicContact CD2-CD1 4.39Å; F428-I481 HydrophobicContact CE2-CD1 4.22Å; F428-I481 HydrophobicContact CE2-CG2 4.2Å; F428-M492 HydrophobicContact CE2-CE 4.42Å; F428-M492 HydrophobicContact CZ-CE 4.2Å
429	A	97.6	Very high	96.1	Very high	6 Å²	6	39.7 Å²	39.7	5%	0.05	20%	0.201	C	C	.	.	H	α-helix	trans	-54.5	-39	-176.1	0	0	0	0	0	113.5	N433 D461 Q464 T465	A429-N433 VanDerWaalsContact O-CB 3.24Å; A429-N433 WeakPolarHBondContact O-CB 3.39Å; A429-N433 PolarHBondContact O-N 2.96Å; A429-N433 PolarHBondContact O-ND2 2.79Å; A429-D461 WeakPolarHBondContact CB-OD2 3.48Å; A429-D461 PolarHBondContact N-OD2 3.06Å; A429-Q464 HydrophobicContact CB-CB 3.76Å; A429-T465 PolarHBondContact N-OG1 3.37Å
430	P	97.8	Very high	96.3	Very high	36 Å²	36	39.2 Å²	39.2	23%	0.234	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-50.7	177.8	-26.9	38.1	0	0	0	113.5	H390 E391 N427 F428 N433 H434	H390-P430 HydrophobicContact CB-CB 4.26Å; H390-P430 HydrophobicContact CB-CG 3.82Å; E391-P430 HydrophobicContact CB-CB 4.43Å; N427-P430 HydrophobicContact CB-CG 4.39Å; F428-P430 VanDerWaalsContact C-N 3.3Å; P430-N433 PolarHBondContact O-N 2.65Å; P430-H434 PolarHBondContact O-N 2.96Å
431	V	97.5	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.8	-36	-178.5	-66	0	0	0	0	112.3	A326 L376 F378 E391 F428 H434 V435 I453	A326-V431 HydrophobicContact CB-CB 4.04Å; A326-V431 HydrophobicContact CB-CG1 4.05Å; A326-V431 HydrophobicContact CB-CG2 4.07Å; L376-V431 HydrophobicContact CD1-CG1 4.49Å; F378-V431 HydrophobicContact CB-CG1 4.37Å; F378-V431 HydrophobicContact CD1-CG1 4.27Å; E391-V431 HydrophobicContact CG-CG1 4.43Å; F428-V431 WeakPolarHBondContact O-CG2 3.4Å; F428-V431 PolarHBondContact O-N 2.71Å; V431-H434 WeakPolarHBondContact O-CB 3.27Å; V431-H434 PolarHBondContact O-N 3.09Å; V431-V435 PolarHBondContact O-N 2.83Å; V431-I453 HydrophobicContact CG2-CD1 4.18Å
432	I	98.4	Very high	96.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-47.8	172.9	-63.8	170	0	0	0	110.1	F428 H434 V435 A436 L451 I453 T465 I469 A472 I479	F428-I432 HydrophobicContact CB-CD1 4.01Å; F428-I432 WeakPolarHBondContact O-CG1 3.28Å; F428-I432 PolarHBondContact O-N 2.9Å; F428-I432 VanDerWaalsContact O-N 3.07Å; I432-H434 PolarHBondContact O-N 2.85Å; I432-V435 PolarHBondContact O-N 3.24Å; I432-A436 VanDerWaalsContact O-CB 3.27Å; I432-A436 WeakPolarHBondContact O-CB 3.43Å; I432-A436 PolarHBondContact O-N 2.95Å; I432-L451 HydrophobicContact CB-CD2 4.5Å; I432-L451 HydrophobicContact CG1-CD2 4.03Å; I432-I453 HydrophobicContact CD1-CD1 4.44Å; I432-I453 HydrophobicContact CG1-CD1 4.11Å; I432-T465 HydrophobicContact CD1-CG2 4.02Å; I432-I469 HydrophobicContact CD1-CG1 4.16Å; I432-A472 HydrophobicContact CG2-CB 4.5Å; I432-I479 HydrophobicContact CD1-CD1 4.17Å; I432-I479 HydrophobicContact CG1-CD1 4.11Å; I432-I479 HydrophobicContact CG2-CD1 3.88Å
433	N	98.3	Very high	96.1	Very high	62 Å²	62	44.6 Å²	44.6	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-26.6	178.7	-71.2	-35.8	0	0	0	112.6	A429 P430 R437 S468	A429-N433 VanDerWaalsContact O-CB 3.24Å; A429-N433 WeakPolarHBondContact O-CB 3.39Å; A429-N433 PolarHBondContact O-N 2.96Å; A429-N433 PolarHBondContact O-ND2 2.79Å; P430-N433 PolarHBondContact O-N 2.65Å; N433-R437 VanDerWaalsContact O-CG 3.3Å; N433-R437 WeakPolarHBondContact O-CG 3.5Å; N433-R437 PolarHBondContact O-N 2.83Å; N433-R437 PolarHBondContact O-NE 2.97Å; N433-S468 PolarHBondContact ND2-OG 3.1Å; N433-S468 PolarHBondContact OD1-OG 2.91Å
434	H	96.4	Very high	95.9	Very high	18 Å²	18	45.1 Å²	45.1	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-58.5	172.3	-174.6	110.9	0	0	0	110.3	E391 P430 V431 I432 A436 R437 Y438	E391-H434 IonicContact OE1-CE1 3.3Å; E391-H434 PolarHBondContact OE1-CE1 3.04Å; E391-H434 IonicContact OE1-CG 2.9Å; E391-H434 IonicContact OE1-ND1 2.74Å; E391-H434 PolarHBondContact OE1-ND1 3.48Å; E391-H434 WeakPolarHBondContact OE2-CB 3.18Å; E391-H434 IonicContact OE2-CG 3.3Å; E391-H434 IonicContact OE2-ND1 2.8Å; E391-H434 PolarHBondContact OE2-ND1 3.27Å; P430-H434 PolarHBondContact O-N 2.96Å; V431-H434 WeakPolarHBondContact O-CB 3.27Å; V431-H434 PolarHBondContact O-N 3.09Å; I432-H434 PolarHBondContact O-N 2.85Å; H434-A436 VanDerWaalsContact C-N 3.33Å; H434-A436 PolarHBondContact O-N 2.87Å; H434-R437 WeakPolarHBondContact O-CB 3.43Å; H434-R437 PolarHBondContact O-N 2.78Å; H434-Y438 AromaticContact CD2-CE2 3.59Å; H434-Y438 AromaticContact NE2-CE2 3.39Å; H434-Y438 WeakPolarHBondContact NE2-CE2 3.33Å; H434-Y438 VanDerWaalsContact O-CD2 3.24Å; H434-Y438 WeakPolarHBondContact O-CD2 3.49Å
435	V	97.6	Very high	95.9	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-39.9	-178.8	-179.4	0	0	0	0	111.3	T324 V431 I432 R437 Y438 A439 F449 L451 M477	T324-V435 HydrophobicContact CG2-CG2 3.79Å; V431-V435 PolarHBondContact O-N 2.83Å; I432-V435 PolarHBondContact O-N 3.24Å; V435-R437 PolarHBondContact O-N 2.88Å; V435-Y438 PolarHBondContact O-N 3.36Å; V435-Y438 VanDerWaalsContact O-N 3.07Å; V435-A439 PolarHBondContact O-N 2.75Å; V435-F449 HydrophobicContact CG1-CB 3.73Å; V435-F449 HydrophobicContact CG1-CD1 4.35Å; V435-F449 HydrophobicContact CG1-CG 4.3Å; V435-L451 HydrophobicContact CB-CD2 4.47Å; V435-L451 HydrophobicContact CG1-CB 4.5Å; V435-L451 HydrophobicContact CG2-CB 4.18Å; V435-L451 HydrophobicContact CG2-CD1 3.98Å; V435-L451 HydrophobicContact CG2-CD2 4.08Å; V435-L451 HydrophobicContact CG2-CG 4.3Å; V435-M477 HydrophobicContact CB-CE 4.07Å; V435-M477 HydrophobicContact CG1-CE 3.9Å; V435-M477 HydrophobicContact CG1-SD 4.49Å
436	A	98.1	Very high	95.8	Very high	12 Å²	12	43.7 Å²	43.7	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-32.9	177.3	0	0	0	0	0	113.2	I432 H434 S440 A472 L475 M477	I432-A436 VanDerWaalsContact O-CB 3.27Å; I432-A436 WeakPolarHBondContact O-CB 3.43Å; I432-A436 PolarHBondContact O-N 2.95Å; H434-A436 VanDerWaalsContact C-N 3.33Å; H434-A436 PolarHBondContact O-N 2.87Å; A436-S440 VanDerWaalsContact O-CB 3.3Å; A436-S440 WeakPolarHBondContact O-CB 3.35Å; A436-S440 PolarHBondContact O-N 3.06Å; A436-A472 HydrophobicContact CB-CB 4.48Å; A436-L475 HydrophobicContact CB-CD1 3.83Å; A436-L475 WeakPolarHBondContact O-CD1 3.37Å; A436-M477 HydrophobicContact CB-SD 3.82Å
437	R	96.9	Very high	95.9	Very high	139 Å²	139	46 Å²	46	53%	0.525	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-45.6	175.1	-80.9	172.2	-97.3	149	-9.6	111.2	E391 N433 H434 V435 S440	E391-R437 IonicContact OE2-NH2 3.4Å; N433-R437 VanDerWaalsContact O-CG 3.3Å; N433-R437 WeakPolarHBondContact O-CG 3.5Å; N433-R437 PolarHBondContact O-N 2.83Å; N433-R437 PolarHBondContact O-NE 2.97Å; H434-R437 WeakPolarHBondContact O-CB 3.43Å; H434-R437 PolarHBondContact O-N 2.78Å; V435-R437 PolarHBondContact O-N 2.88Å; R437-S440 PolarHBondContact O-N 2.97Å; R437-S440 PolarHBondContact O-OG 2.84Å
438	Y	94.8	Very high	95.9	Very high	111 Å²	111	44.7 Å²	44.7	44%	0.435	23%	0.232	S	C	.	.	H	α-helix	trans	-67.4	-48.2	176.8	-65.8	-85.6	0	0	0	111.4	H434 V435 S440 S441	H434-Y438 AromaticContact CD2-CE2 3.59Å; H434-Y438 AromaticContact NE2-CE2 3.39Å; H434-Y438 WeakPolarHBondContact NE2-CE2 3.33Å; H434-Y438 VanDerWaalsContact O-CD2 3.24Å; H434-Y438 WeakPolarHBondContact O-CD2 3.49Å; V435-Y438 PolarHBondContact O-N 3.36Å; V435-Y438 VanDerWaalsContact O-N 3.07Å; Y438-S440 PolarHBondContact O-N 2.84Å; Y438-S441 WeakPolarHBondContact O-CB 3.36Å; Y438-S441 PolarHBondContact O-N 2.94Å; Y438-S441 PolarHBondContact O-OG 3.34Å
439	A	97.1	Very high	95.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-35	178	0	0	0	0	0	112.5	V435 S441 V442 F449 L475 P476 M477	V435-A439 PolarHBondContact O-N 2.75Å; A439-S441 PolarHBondContact O-N 2.96Å; A439-V442 PolarHBondContact O-N 3.04Å; A439-V442 VanDerWaalsContact O-N 3.16Å; A439-F449 HydrophobicContact CB-CD2 3.63Å; A439-F449 HydrophobicContact CB-CE2 4.12Å; A439-F449 HydrophobicContact CB-CG 4.16Å; A439-L475 HydrophobicContact CB-CB 4.1Å; A439-L475 HydrophobicContact CB-CD1 4.38Å; A439-P476 HydrophobicContact CB-CG 4.2Å; A439-P476 WeakPolarHBondContact O-CD 3.27Å; A439-P476 WeakPolarHBondContact O-CG 3.28Å; A439-M477 HydrophobicContact CB-CB 4.18Å; A439-M477 HydrophobicContact CB-CG 4.44Å; A439-M477 HydrophobicContact CB-SD 4.21Å
440	S	96.9	Very high	95.7	Very high	59 Å²	59	45.1 Å²	45.1	41%	0.413	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.8	178.3	77.6	0	0	0	0	114.9	A436 R437 Y438 V442	A436-S440 VanDerWaalsContact O-CB 3.3Å; A436-S440 WeakPolarHBondContact O-CB 3.35Å; A436-S440 PolarHBondContact O-N 3.06Å; R437-S440 PolarHBondContact O-N 2.97Å; R437-S440 PolarHBondContact O-OG 2.84Å; Y438-S440 PolarHBondContact O-N 2.84Å; S440-V442 VanDerWaalsContact C-N 3.34Å
441	S	95	Very high	95.7	Very high	95 Å²	95	43.4 Å²	43.4	66%	0.664	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.5	177.8	72.8	0	0	0	0	113	Y438 A439	Y438-S441 WeakPolarHBondContact O-CB 3.36Å; Y438-S441 PolarHBondContact O-N 2.94Å; Y438-S441 PolarHBondContact O-OG 3.34Å; A439-S441 PolarHBondContact O-N 2.96Å
442	V	94.3	Very high	95.7	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.067	22%	0.222	C	C	.	.			trans	-104.9	124.1	-178	-178.1	0	0	0	0	110.3	A439 S440 Q447 F449 P476	A439-V442 PolarHBondContact O-N 3.04Å; A439-V442 VanDerWaalsContact O-N 3.16Å; S440-V442 VanDerWaalsContact C-N 3.34Å; V442-Q447 HydrophobicContact CG1-CB 3.99Å; V442-Q447 HydrophobicContact CG2-CB 4.09Å; V442-F449 HydrophobicContact CB-CE2 4.39Å; V442-F449 HydrophobicContact CG2-CE2 3.92Å; V442-F449 HydrophobicContact CG2-CZ 4.19Å; V442-P476 HydrophobicContact CB-CG 4.24Å; V442-P476 HydrophobicContact CG1-CG 4.5Å
443	K	92.4	Very high	95.7	Very high	170 Å²	170	43.4 Å²	43.4	74%	0.739	22%	0.221	S	C	*	.			trans	-131.9	-13.9	-177	-63.5	-176.3	-178	176.7	0	114.5
444	D	93	Very high	95.6	Very high	110 Å²	110	40.4 Å²	40.4	59%	0.588	21%	0.206	S	C	*	.	S	Bend	trans	-90.8	-7.1	-176	58.4	3.4	0	0	0	113.1	S446 I557	D444-S446 VanDerWaalsContact C-N 3.35Å; D444-S446 VanDerWaalsContact OD1-CB 3.29Å; D444-S446 WeakPolarHBondContact OD1-CB 2.82Å; D444-S446 PolarHBondContact OD1-N 3.34Å; D444-S446 PolarHBondContact OD1-OG 3.2Å; D444-I557 WeakPolarHBondContact O-CG2 3.42Å
445	G	91.9	Very high	95.6	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	20%	0.202	C	C	.	.	S	Bend	trans	81.2	11.4	-177.7	0	0	0	0	0	114.3	T319 Q447 M552	T319-G445 WeakPolarHBondContact CG2-O 3.26Å; T319-G445 PolarHBondContact OG1-O 3.44Å; G445-Q447 PolarHBondContact O-N 3.19Å; G445-M552 WeakPolarHBondContact O-CE 3.36Å
446	S	92.3	Very high	95.3	Very high	45 Å²	45	40 Å²	40	32%	0.315	20%	0.204	S	C	.	.	S	Bend	trans	-64.6	-26.5	175.2	56.2	0	0	0	0	113.5	T319 Q320 D444	T319-S446 WeakPolarHBondContact CA-O 3.06Å; Q320-S446 PolarHBondContact N-O 2.89Å; D444-S446 VanDerWaalsContact C-N 3.35Å; D444-S446 VanDerWaalsContact OD1-CB 3.29Å; D444-S446 WeakPolarHBondContact OD1-CB 2.82Å; D444-S446 PolarHBondContact OD1-N 3.34Å; D444-S446 PolarHBondContact OD1-OG 3.2Å
447	Q	94.3	Very high	94.3	Very high	59 Å²	59	39.7 Å²	39.7	28%	0.276	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	142.6	-178.2	-65.8	175.9	49.9	0	0	110.5	Q320 N322 V442 G445 F449	Q320-Q447 HydrophobicContact CB-CG 4.42Å; Q320-Q447 CarbonylContact O-C 3.48Å; Q320-Q447 WeakPolarHBondContact O-CA 3.26Å; N322-Q447 WeakPolarHBondContact ND2-CB 3.49Å; N322-Q447 PolarHBondContact ND2-OE1 2.95Å; V442-Q447 HydrophobicContact CG1-CB 3.99Å; V442-Q447 HydrophobicContact CG2-CB 4.09Å; G445-Q447 PolarHBondContact O-N 3.19Å; Q447-F449 HydrophobicContact CB-CE2 4.04Å; Q447-F449 HydrophobicContact CB-CZ 4.26Å
448	Y	95.6	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.2	171	-164.5	-90	0	0	0	109.2	Q320 I321 N322 V450 P476 S478 Q547 F548 Y551	Q320-Y448 PolarHBondContact O-N 2.89Å; I321-Y448 CarbonylContact C-O 3.53Å; I321-Y448 WeakPolarHBondContact CA-O 3.28Å; N322-Y448 PolarHBondContact N-O 3.31Å; Y448-V450 HydrophobicContact CD1-CG2 4.28Å; Y448-V450 HydrophobicContact CE1-CG2 4.48Å; Y448-P476 HydrophobicContact CD2-CB 3.83Å; Y448-P476 HydrophobicContact CE2-CB 4.35Å; Y448-S478 PolarHBondContact OH-OG 3.44Å; Y448-Q547 PolarHBondContact OH-O 3.2Å; Y448-F548 HydrophobicContact CD1-CD2 4.01Å; Y448-F548 AromaticContact CD2-CD2 3.51Å; Y448-F548 HydrophobicContact CD2-CD2 3.51Å; Y448-F548 HydrophobicContact CD2-CE2 4.07Å; Y448-F548 HydrophobicContact CD2-CG 4.34Å; Y448-F548 HydrophobicContact CE1-CB 4.43Å; Y448-F548 HydrophobicContact CE1-CD2 4.48Å; Y448-F548 HydrophobicContact CE2-CB 4.24Å; Y448-F548 HydrophobicContact CE2-CD2 4.03Å; Y448-F548 HydrophobicContact CE2-CG 4.45Å; Y448-F548 AromaticContact CG-CD2 3.49Å; Y448-F548 HydrophobicContact CG-CD2 3.49Å; Y448-F548 VanDerWaalsContact CG-CD2 3.49Å; Y448-F548 HydrophobicContact CG-CE2 4.03Å; Y448-F548 PolarHBondContact OH-N 3.47Å; Y448-Y551 HydrophobicContact CD2-CD1 4.39Å; Y448-Y551 HydrophobicContact CE2-CD1 4.28Å; Y448-Y551 HydrophobicContact CE2-CG 4.22Å
449	F	96.6	Very high	93.1	Very high	13 Å²	13	33.1 Å²	33.1	6%	0.057	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.7	-171.5	-62.9	-97.2	0	0	0	111	N322 V435 A439 V442 Q447 P476 M477 S478	N322-F449 HydrophobicContact CB-CD1 3.63Å; N322-F449 HydrophobicContact CB-CE1 3.87Å; N322-F449 HydrophobicContact CB-CG 4.31Å; N322-F449 WeakPolarHBondContact O-CA 3.49Å; V435-F449 HydrophobicContact CG1-CB 3.73Å; V435-F449 HydrophobicContact CG1-CD1 4.35Å; V435-F449 HydrophobicContact CG1-CG 4.3Å; A439-F449 HydrophobicContact CB-CD2 3.63Å; A439-F449 HydrophobicContact CB-CE2 4.12Å; A439-F449 HydrophobicContact CB-CG 4.16Å; V442-F449 HydrophobicContact CB-CE2 4.39Å; V442-F449 HydrophobicContact CG2-CE2 3.92Å; V442-F449 HydrophobicContact CG2-CZ 4.19Å; Q447-F449 HydrophobicContact CB-CE2 4.04Å; Q447-F449 HydrophobicContact CB-CZ 4.26Å; F449-P476 PolarHBondContact N-O 3.48Å; F449-M477 HydrophobicContact CB-CB 3.93Å; F449-M477 CarbonylContact O-C 3.38Å; F449-M477 WeakPolarHBondContact O-CA 3.46Å; F449-M477 WeakPolarHBondContact O-CB 3.41Å; F449-S478 PolarHBondContact O-N 3.24Å
450	V	95.7	Very high	92.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.3	175.4	179.6	0	0	0	0	108.2	I321 N322 F323 T324 Y448 I480 I544	I321-V450 HydrophobicContact CG2-CG2 3.71Å; N322-V450 PolarHBondContact O-N 3.31Å; F323-V450 HydrophobicContact CD2-CB 4.14Å; F323-V450 HydrophobicContact CD2-CG1 4.01Å; F323-V450 HydrophobicContact CE2-CG1 4.21Å; T324-V450 PolarHBondContact N-O 3.06Å; Y448-V450 HydrophobicContact CD1-CG2 4.28Å; Y448-V450 HydrophobicContact CE1-CG2 4.48Å; V450-I480 HydrophobicContact CG1-CD1 3.67Å; V450-I480 HydrophobicContact CG1-CG1 4.41Å; V450-I544 HydrophobicContact CG1-CD1 4.33Å; V450-I544 HydrophobicContact CG2-CG2 4.2Å
451	L	97.5	Very high	92.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.5	175.9	171.4	58.4	0	0	0	109.8	T324 A326 I432 V435 I453 S478 I479 I480	T324-L451 HydrophobicContact CG2-CD1 3.87Å; T324-L451 CarbonylContact O-C 3.58Å; T324-L451 WeakPolarHBondContact O-CA 3.42Å; A326-L451 HydrophobicContact CB-CD1 3.96Å; I432-L451 HydrophobicContact CB-CD2 4.5Å; I432-L451 HydrophobicContact CG1-CD2 4.03Å; V435-L451 HydrophobicContact CB-CD2 4.47Å; V435-L451 HydrophobicContact CG1-CB 4.5Å; V435-L451 HydrophobicContact CG2-CB 4.18Å; V435-L451 HydrophobicContact CG2-CD1 3.98Å; V435-L451 HydrophobicContact CG2-CD2 4.08Å; V435-L451 HydrophobicContact CG2-CG 4.3Å; L451-I453 HydrophobicContact CD1-CG1 4.3Å; L451-I453 HydrophobicContact CD2-CD1 4.11Å; L451-I453 HydrophobicContact CD2-CG1 4.15Å; L451-I453 HydrophobicContact CG-CD1 4.42Å; L451-I453 HydrophobicContact CG-CG1 3.93Å; L451-S478 PolarHBondContact N-O 3.32Å; L451-I479 CarbonylContact O-C 3.49Å; L451-I479 WeakPolarHBondContact O-CA 3.41Å; L451-I480 PolarHBondContact O-N 2.8Å
452	L	97.3	Very high	92.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.1	168	171.9	63.8	0	0	0	110.2	F323 T324 V325 A326 L357 V360 V454 I480 V482	F323-L452 HydrophobicContact CE2-CB 3.67Å; F323-L452 HydrophobicContact CE2-CD2 4.5Å; F323-L452 HydrophobicContact CZ-CB 3.68Å; F323-L452 HydrophobicContact CZ-CD2 3.74Å; F323-L452 HydrophobicContact CZ-CG 4.35Å; T324-L452 PolarHBondContact O-N 3.35Å; V325-L452 CarbonylContact C-O 3.6Å; A326-L452 PolarHBondContact N-O 2.88Å; L357-L452 HydrophobicContact CD2-CD2 4.12Å; V360-L452 HydrophobicContact CB-CD2 4.03Å; V360-L452 HydrophobicContact CG1-CD2 4.16Å; V360-L452 HydrophobicContact CG2-CD1 4.48Å; V360-L452 HydrophobicContact CG2-CD2 4.42Å; L452-V454 HydrophobicContact CD1-CG2 4.1Å; L452-V454 HydrophobicContact CD2-CG2 4.1Å; L452-V454 HydrophobicContact CG-CG2 3.93Å; L452-I480 CarbonylContact C-O 3.56Å; L452-I480 HydrophobicContact CD1-CB 4.08Å; L452-I480 HydrophobicContact CD1-CG2 3.48Å; L452-I480 VanDerWaalsContact CD1-CG2 3.48Å; L452-V482 HydrophobicContact CD1-CG2 3.78Å
453	I	97.6	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.4	169.8	-54.5	-178.4	0	0	0	108.2	A326 F378 F428 V431 I432 L451 I479 I480 I481 V482	A326-I453 HydrophobicContact CB-CG1 4.32Å; A326-I453 WeakPolarHBondContact O-CA 3.37Å; F378-I453 HydrophobicContact CE1-CG2 4.02Å; F378-I453 HydrophobicContact CZ-CG2 3.97Å; F428-I453 HydrophobicContact CB-CD1 4.31Å; F428-I453 HydrophobicContact CD1-CG2 4.15Å; F428-I453 HydrophobicContact CD2-CD1 4.18Å; F428-I453 HydrophobicContact CD2-CG2 4.47Å; F428-I453 HydrophobicContact CE1-CG2 3.9Å; F428-I453 HydrophobicContact CE2-CG2 4.22Å; F428-I453 HydrophobicContact CG-CD1 4.18Å; F428-I453 HydrophobicContact CG-CG2 4.46Å; F428-I453 HydrophobicContact CZ-CG2 3.96Å; V431-I453 HydrophobicContact CG2-CD1 4.18Å; I432-I453 HydrophobicContact CD1-CD1 4.44Å; I432-I453 HydrophobicContact CG1-CD1 4.11Å; L451-I453 HydrophobicContact CD1-CG1 4.3Å; L451-I453 HydrophobicContact CD2-CD1 4.11Å; L451-I453 HydrophobicContact CD2-CG1 4.15Å; L451-I453 HydrophobicContact CG-CD1 4.42Å; L451-I453 HydrophobicContact CG-CG1 3.93Å; I453-I479 HydrophobicContact CD1-CG2 4.02Å; I453-I479 HydrophobicContact CG1-CG2 4.41Å; I453-I480 PolarHBondContact N-O 2.75Å; I453-I481 HydrophobicContact CB-CG1 4.41Å; I453-I481 CarbonylContact O-C 3.6Å; I453-I481 WeakPolarHBondContact O-CA 3.39Å; I453-V482 PolarHBondContact O-N 3.3Å
454	V	97.4	Very high	93.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.3	171.3	-166.3	0	0	0	0	108.5	A326 D328 Y353 A356 L357 L452 V482 V484	A326-V454 PolarHBondContact O-N 3.16Å; D328-V454 WeakPolarHBondContact CB-O 3.33Å; D328-V454 PolarHBondContact N-O 3.23Å; Y353-V454 HydrophobicContact CD1-CB 3.77Å; Y353-V454 HydrophobicContact CD1-CG1 3.33Å; Y353-V454 HydrophobicContact CE1-CB 4.03Å; Y353-V454 HydrophobicContact CE1-CG1 3.66Å; Y353-V454 WeakPolarHBondContact CE1-O 3.13Å; Y353-V454 HydrophobicContact CG-CG1 4.14Å; A356-V454 HydrophobicContact CB-CG1 4.17Å; A356-V454 HydrophobicContact CB-CG2 4.38Å; L357-V454 HydrophobicContact CD2-CG2 4.19Å; L452-V454 HydrophobicContact CD1-CG2 4.1Å; L452-V454 HydrophobicContact CD2-CG2 4.1Å; L452-V454 HydrophobicContact CG-CG2 3.93Å; V454-V482 WeakPolarHBondContact CA-O 3.4Å; V454-V482 HydrophobicContact CG1-CB 4.45Å; V454-V484 HydrophobicContact CG1-CG1 3.85Å
455	T	95.8	Very high	93.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.3	-172.3	179	0	0	0	0	112.2	D328 F428 G457 I481 V482 G483 V484 M492	D328-T455 WeakPolarHBondContact OD2-CB 3.46Å; D328-T455 PolarHBondContact OD2-OG1 3.08Å; F428-T455 HydrophobicContact CE1-CG2 4.25Å; F428-T455 HydrophobicContact CE2-CG2 4.35Å; F428-T455 HydrophobicContact CZ-CG2 3.48Å; F428-T455 VanDerWaalsContact CZ-CG2 3.48Å; T455-G457 PolarHBondContact OG1-N 3.22Å; T455-I481 HydrophobicContact CG2-CG2 4.12Å; T455-V482 PolarHBondContact N-O 3.21Å; T455-V482 VanDerWaalsContact N-O 3.09Å; T455-G483 CarbonylContact O-C 3.5Å; T455-G483 WeakPolarHBondContact O-CA 3.39Å; T455-V484 WeakPolarHBondContact O-CG2 3.49Å; T455-V484 PolarHBondContact O-N 2.92Å; T455-M492 HydrophobicContact CG2-CE 4.05Å
456	D	91.3	Very high	93.5	Very high	12 Å²	12	27 Å²	27	6%	0.064	16%	0.159	C	C	.	.	S	Bend	trans	-89.4	-3.5	174.2	69.9	-43.9	0	0	0	114.6	S332 N333 L342 Y353 V484 A487	S332-D456 WeakPolarHBondContact CB-OD2 3.34Å; S332-D456 VanDerWaalsContact OG-CG 3.31Å; S332-D456 PolarHBondContact OG-OD1 3.33Å; S332-D456 VanDerWaalsContact OG-OD1 3.07Å; S332-D456 PolarHBondContact OG-OD2 3.01Å; N333-D456 PolarHBondContact N-OD2 3.39Å; N333-D456 PolarHBondContact ND2-OD1 3.47Å; N333-D456 PolarHBondContact ND2-OD2 3.06Å; N333-D456 VanDerWaalsContact OD1-CB 3.23Å; N333-D456 WeakPolarHBondContact OD1-CB 3.38Å; L342-D456 HydrophobicContact CD1-CB 3.32Å; Y353-D456 PolarHBondContact OH-N 3.18Å; Y353-D456 VanDerWaalsContact OH-N 3.12Å; D456-V484 VanDerWaalsContact CA-O 3.25Å; D456-V484 WeakPolarHBondContact CA-O 3.32Å; D456-V484 HydrophobicContact CB-CG2 4.12Å; D456-A487 WeakPolarHBondContact O-CB 3.43Å
457	G	77.1	Confident	93.8	Very high	4 Å²	4	27.7 Å²	27.7	4%	0.041	16%	0.157	C	C	.	.	S	Bend	trans	134.2	-173.3	169.3	0	0	0	0	0	115.5	T455	T455-G457 PolarHBondContact OG1-N 3.22Å
458	V	77	Confident	94	Very high	99 Å²	99	25.2 Å²	25.2	60%	0.6	15%	0.146	S	C	*	.			trans	38.9	91	177.2	-168.1	0	0	0	0	115.3	T426 S460	T426-V458 VanDerWaalsContact CB-O 3.32Å; T426-V458 WeakPolarHBondContact CB-O 3.34Å; V458-S460 PolarHBondContact O-N 2.83Å
459	I	88.9	Confident	94.1	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.072	15%	0.146	C	C	.	.			trans	-67.7	123.3	171	-51.4	177.3	0	0	0	109.4	F428 D461 M462 M492 L495	F428-I459 HydrophobicContact CD2-CD1 3.62Å; F428-I459 HydrophobicContact CD2-CG1 3.99Å; F428-I459 HydrophobicContact CE2-CD1 3.38Å; F428-I459 HydrophobicContact CE2-CG1 3.57Å; F428-I459 HydrophobicContact CZ-CD1 4.18Å; F428-I459 HydrophobicContact CZ-CG1 3.85Å; I459-D461 VanDerWaalsContact CG2-OD1 3.3Å; I459-D461 WeakPolarHBondContact CG2-OD1 3.5Å; I459-M462 HydrophobicContact CB-CE 4.49Å; I459-M462 HydrophobicContact CD1-CE 4.19Å; I459-M492 HydrophobicContact CD1-CE 4.04Å; I459-M492 HydrophobicContact CD1-CG 4.3Å; I459-M492 HydrophobicContact CD1-SD 4.16Å; I459-M492 HydrophobicContact CG1-CE 3.53Å; I459-M492 HydrophobicContact CG1-SD 4.09Å; I459-L495 HydrophobicContact CD1-CD1 3.39Å; I459-L495 HydrophobicContact CD1-CG 4.5Å
460	S	92.8	Very high	94.1	Very high	70 Å²	70	25.4 Å²	25.4	49%	0.49	15%	0.148	S	C	.	.	S	Bend	trans	-87.6	-26.5	179.1	-59.7	0	0	0	0	112.9	P425 T426 V458	P425-S460 WeakPolarHBondContact CB-OG 3.48Å; T426-S460 PolarHBondContact N-OG 3.06Å; T426-S460 VanDerWaalsContact O-CB 3.31Å; T426-S460 WeakPolarHBondContact O-CB 3.44Å; T426-S460 PolarHBondContact O-N 3.29Å; V458-S460 PolarHBondContact O-N 2.83Å
461	D	95.1	Very high	94.2	Very high	13 Å²	13	28.9 Å²	28.9	7%	0.07	17%	0.167	C	C	.	.			trans	-107	41.6	-178.4	71.3	-17.5	0	0	0	112.9	N427 F428 A429 I459 A463 Q464 T465	N427-D461 VanDerWaalsContact CA-CG 3.46Å; N427-D461 VanDerWaalsContact CA-OD1 3.31Å; N427-D461 WeakPolarHBondContact CA-OD1 3.27Å; N427-D461 WeakPolarHBondContact CA-OD2 3.39Å; N427-D461 HydrophobicContact CB-CB 4.3Å; N427-D461 WeakPolarHBondContact CB-OD2 3.47Å; N427-D461 WeakPolarHBondContact OD1-CB 3.48Å; F428-D461 PolarHBondContact N-OD1 2.82Å; F428-D461 PolarHBondContact N-OD2 3.31Å; A429-D461 WeakPolarHBondContact CB-OD2 3.48Å; A429-D461 PolarHBondContact N-OD2 3.06Å; I459-D461 VanDerWaalsContact CG2-OD1 3.3Å; I459-D461 WeakPolarHBondContact CG2-OD1 3.5Å; D461-A463 VanDerWaalsContact C-N 3.28Å; D461-A463 PolarHBondContact O-N 3.38Å; D461-A463 VanDerWaalsContact O-N 3.15Å; D461-Q464 HydrophobicContact CB-CB 4.21Å; D461-Q464 PolarHBondContact O-N 3.3Å; D461-Q464 PolarHBondContact O-OE1 2.6Å; D461-T465 WeakPolarHBondContact O-CB 3.25Å; D461-T465 PolarHBondContact O-N 3.24Å; D461-T465 PolarHBondContact O-OG1 3.46Å; D461-T465 PolarHBondContact OD1-OG1 3.24Å
462	M	94.2	Very high	94.2	Very high	36 Å²	36	28.9 Å²	28.9	18%	0.177	17%	0.167	C	C	.	.	H	α-helix	trans	-50.9	-44	-174	179.1	55.9	86.5	0	0	113.4	I459 Q464 T465 K466 A491 L495	I459-M462 HydrophobicContact CB-CE 4.49Å; I459-M462 HydrophobicContact CD1-CE 4.19Å; M462-Q464 PolarHBondContact O-N 3.35Å; M462-T465 PolarHBondContact O-N 2.66Å; M462-K466 HydrophobicContact CG-CD 4.47Å; M462-K466 WeakPolarHBondContact O-CG 3.46Å; M462-K466 PolarHBondContact O-N 3.39Å; M462-K466 HydrophobicContact SD-CD 4.3Å; M462-K466 HydrophobicContact SD-CG 4.11Å; M462-A491 HydrophobicContact CE-CB 3.39Å; M462-A491 WeakPolarHBondContact CE-O 3.3Å; M462-L495 HydrophobicContact CE-CG 4.42Å; M462-L495 HydrophobicContact SD-CD1 4.49Å; M462-L495 HydrophobicContact SD-CD2 3.79Å; M462-L495 HydrophobicContact SD-CG 4.25Å
463	A	95.9	Very high	94.2	Very high	64 Å²	64	29 Å²	29	53%	0.529	17%	0.167	S	C	.	.	H	α-helix	trans	-64.8	-41.5	-179.5	0	0	0	0	0	112.7	D461 E467	D461-A463 VanDerWaalsContact C-N 3.28Å; D461-A463 PolarHBondContact O-N 3.38Å; D461-A463 VanDerWaalsContact O-N 3.15Å; A463-E467 PolarHBondContact O-N 2.92Å; A463-E467 VanDerWaalsContact O-N 3.08Å
464	Q	97.6	Very high	94.2	Very high	102 Å²	102	33.3 Å²	33.3	48%	0.477	19%	0.186	S	C	.	.	H	α-helix	trans	-70.4	-39.1	177.1	-64.3	82.4	-13.6	0	0	110.7	A429 D461 M462 E467 S468	A429-Q464 HydrophobicContact CB-CB 3.76Å; D461-Q464 HydrophobicContact CB-CB 4.21Å; D461-Q464 PolarHBondContact O-N 3.3Å; D461-Q464 PolarHBondContact O-OE1 2.6Å; M462-Q464 PolarHBondContact O-N 3.35Å; Q464-E467 WeakPolarHBondContact O-CB 3.44Å; Q464-E467 PolarHBondContact O-N 2.96Å; Q464-S468 WeakPolarHBondContact O-CB 3.48Å; Q464-S468 PolarHBondContact O-N 2.83Å; Q464-S468 PolarHBondContact O-OG 2.88Å
465	T	97.1	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-46.3	176.9	-70.7	0	0	0	0	110.9	F428 A429 I432 D461 M462 E467 S468 I469 L495	F428-T465 HydrophobicContact CB-CG2 4.12Å; F428-T465 HydrophobicContact CD2-CG2 4.45Å; A429-T465 PolarHBondContact N-OG1 3.37Å; I432-T465 HydrophobicContact CD1-CG2 4.02Å; D461-T465 WeakPolarHBondContact O-CB 3.25Å; D461-T465 PolarHBondContact O-N 3.24Å; D461-T465 PolarHBondContact O-OG1 3.46Å; D461-T465 PolarHBondContact OD1-OG1 3.24Å; M462-T465 PolarHBondContact O-N 2.66Å; T465-E467 VanDerWaalsContact C-N 3.35Å; T465-E467 PolarHBondContact O-N 3.5Å; T465-S468 WeakPolarHBondContact O-CB 3.5Å; T465-S468 PolarHBondContact O-N 3.06Å; T465-I469 HydrophobicContact CG2-CD1 3.84Å; T465-I469 WeakPolarHBondContact O-CG1 3.39Å; T465-I469 PolarHBondContact O-N 2.88Å; T465-L495 HydrophobicContact CG2-CD1 3.74Å; T465-L495 HydrophobicContact CG2-CD2 4.42Å
466	K	97.1	Very high	94.3	Very high	35 Å²	35	34.5 Å²	34.5	15%	0.152	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-42.7	171.6	-73	-178.5	-179.2	165.1	0	112.5	M462 S468 I469 V470 E494 L495 V502	M462-K466 HydrophobicContact CG-CD 4.47Å; M462-K466 WeakPolarHBondContact O-CG 3.46Å; M462-K466 PolarHBondContact O-N 3.39Å; M462-K466 HydrophobicContact SD-CD 4.3Å; M462-K466 HydrophobicContact SD-CG 4.11Å; K466-S468 VanDerWaalsContact C-N 3.34Å; K466-S468 PolarHBondContact O-N 2.91Å; K466-I469 PolarHBondContact O-N 2.79Å; K466-V470 WeakPolarHBondContact O-CB 3.42Å; K466-V470 VanDerWaalsContact O-CG2 3.25Å; K466-V470 WeakPolarHBondContact O-CG2 3.24Å; K466-V470 PolarHBondContact O-N 3.29Å; K466-E494 IonicContact NZ-OE1 3.98Å; K466-E494 PolarHBondContact NZ-OE1 2.85Å; K466-E494 IonicContact NZ-OE2 3.86Å; K466-E494 PolarHBondContact NZ-OE2 3.27Å; K466-L495 HydrophobicContact CG-CD2 3.8Å; K466-V502 HydrophobicContact CB-CG1 4.14Å; K466-V502 HydrophobicContact CG-CG1 3.95Å
467	E	97.8	Very high	94.6	Very high	59 Å²	59	33.9 Å²	33.9	28%	0.276	19%	0.189	S	C	.	.	H	α-helix	trans	-61	-43	175.5	-178.1	168.7	-156.7	0	0	111.6	A463 Q464 T465 N471 R505	A463-E467 PolarHBondContact O-N 2.92Å; A463-E467 VanDerWaalsContact O-N 3.08Å; Q464-E467 WeakPolarHBondContact O-CB 3.44Å; Q464-E467 PolarHBondContact O-N 2.96Å; T465-E467 VanDerWaalsContact C-N 3.35Å; T465-E467 PolarHBondContact O-N 3.5Å; E467-N471 WeakPolarHBondContact O-CB 3.09Å; E467-N471 VanDerWaalsContact O-CG 3.23Å; E467-N471 PolarHBondContact O-N 2.83Å; E467-N471 PolarHBondContact O-ND2 2.91Å; E467-R505 IonicContact OE1-CZ 2.78Å; E467-R505 IonicContact OE1-NH1 3.47Å; E467-R505 PolarHBondContact OE1-NH1 3.25Å; E467-R505 IonicContact OE1-NH2 2.64Å; E467-R505 IonicContact OE2-CZ 3.86Å; E467-R505 IonicContact OE2-NH1 2.74Å; E467-R505 PolarHBondContact OE2-NH1 2.99Å; E467-R505 IonicContact OE2-NH2 3.81Å; E467-R505 PolarHBondContact OE2-NH2 3.04Å
468	S	98.3	Very high	95.5	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-44.6	175.7	-76.3	0	0	0	0	112.6	N433 Q464 T465 K466 N471 A472	N433-S468 PolarHBondContact ND2-OG 3.1Å; N433-S468 PolarHBondContact OD1-OG 2.91Å; Q464-S468 WeakPolarHBondContact O-CB 3.48Å; Q464-S468 PolarHBondContact O-N 2.83Å; Q464-S468 PolarHBondContact O-OG 2.88Å; T465-S468 WeakPolarHBondContact O-CB 3.5Å; T465-S468 PolarHBondContact O-N 3.06Å; K466-S468 VanDerWaalsContact C-N 3.34Å; K466-S468 PolarHBondContact O-N 2.91Å; S468-N471 PolarHBondContact O-N 2.83Å; S468-A472 WeakPolarHBondContact O-CB 3.32Å; S468-A472 PolarHBondContact O-N 3.15Å
469	I	97.9	Very high	96.5	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-48.2	176.9	-70	161.8	0	0	0	110.9	I432 T465 K466 N471 A472 S473 I479 L495 V502 I513 V514	I432-I469 HydrophobicContact CD1-CG1 4.16Å; T465-I469 HydrophobicContact CG2-CD1 3.84Å; T465-I469 WeakPolarHBondContact O-CG1 3.39Å; T465-I469 PolarHBondContact O-N 2.88Å; K466-I469 PolarHBondContact O-N 2.79Å; I469-N471 VanDerWaalsContact C-N 3.29Å; I469-N471 PolarHBondContact O-N 3.06Å; I469-A472 PolarHBondContact O-N 3.13Å; I469-A472 VanDerWaalsContact O-N 3.12Å; I469-S473 PolarHBondContact O-N 2.75Å; I469-I479 HydrophobicContact CG1-CD1 4.05Å; I469-L495 HydrophobicContact CD1-CB 4.37Å; I469-L495 HydrophobicContact CD1-CD1 4.08Å; I469-L495 HydrophobicContact CD1-CD2 3.71Å; I469-L495 HydrophobicContact CD1-CG 4.27Å; I469-V502 HydrophobicContact CB-CG1 4.4Å; I469-V502 HydrophobicContact CG2-CB 4.2Å; I469-V502 HydrophobicContact CG2-CG1 4.06Å; I469-V502 HydrophobicContact CG2-CG2 4.36Å; I469-I513 HydrophobicContact CG2-CD1 4.23Å; I469-I513 HydrophobicContact CG2-CG1 4.14Å; I469-V514 HydrophobicContact CD1-CG2 3.93Å; I469-V514 HydrophobicContact CG1-CG2 4.13Å; I469-V514 HydrophobicContact CG2-CG2 3.9Å
470	V	97.8	Very high	96.8	Very high	15 Å²	15	28.4 Å²	28.4	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-43.5	177.5	170.8	0	0	0	0	110.7	K466 S473 V502 K507 A509	K466-V470 WeakPolarHBondContact O-CB 3.42Å; K466-V470 VanDerWaalsContact O-CG2 3.25Å; K466-V470 WeakPolarHBondContact O-CG2 3.24Å; K466-V470 PolarHBondContact O-N 3.29Å; V470-S473 PolarHBondContact O-N 3.15Å; V470-S473 PolarHBondContact O-OG 2.9Å; V470-V502 HydrophobicContact CG2-CG1 4.24Å; V470-K507 HydrophobicContact CG1-CB 4.18Å; V470-A509 HydrophobicContact CG2-CB 4.38Å
471	N	97.4	Very high	96.9	Very high	76 Å²	76	25.1 Å²	25.1	41%	0.406	13%	0.132	S	C	.	.	H	α-helix	trans	-68.1	-34.6	177	-73.6	-35.2	0	0	0	113.4	E467 S468 I469 K474	E467-N471 WeakPolarHBondContact O-CB 3.09Å; E467-N471 VanDerWaalsContact O-CG 3.23Å; E467-N471 PolarHBondContact O-N 2.83Å; E467-N471 PolarHBondContact O-ND2 2.91Å; S468-N471 PolarHBondContact O-N 2.83Å; I469-N471 VanDerWaalsContact C-N 3.29Å; I469-N471 PolarHBondContact O-N 3.06Å; N471-K474 WeakPolarHBondContact O-CE 3.46Å; N471-K474 WeakPolarHBondContact O-CG 3.39Å
472	A	97.9	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-75.7	-26.6	178.8	0	0	0	0	0	113	I432 A436 S468 I469 K474 L475 M477 I513	I432-A472 HydrophobicContact CG2-CB 4.5Å; A436-A472 HydrophobicContact CB-CB 4.48Å; S468-A472 WeakPolarHBondContact O-CB 3.32Å; S468-A472 PolarHBondContact O-N 3.15Å; I469-A472 PolarHBondContact O-N 3.13Å; I469-A472 VanDerWaalsContact O-N 3.12Å; A472-K474 PolarHBondContact O-N 3.12Å; A472-L475 WeakPolarHBondContact O-CA 3.46Å; A472-L475 VanDerWaalsContact O-CB 3.24Å; A472-L475 WeakPolarHBondContact O-CB 3.28Å; A472-L475 PolarHBondContact O-N 3.32Å; A472-M477 HydrophobicContact CB-CE 4.36Å; A472-M477 HydrophobicContact CB-CG 4.28Å; A472-M477 HydrophobicContact CB-SD 3.69Å; A472-I513 HydrophobicContact CB-CD1 3.75Å
473	S	97.1	Very high	97	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.5	-176.4	69.7	0	0	0	0	115.1	I469 V470 A509 E510 R511	I469-S473 PolarHBondContact O-N 2.75Å; V470-S473 PolarHBondContact O-N 3.15Å; V470-S473 PolarHBondContact O-OG 2.9Å; S473-A509 WeakPolarHBondContact OG-CA 3.29Å; S473-E510 PolarHBondContact OG-N 2.87Å; S473-R511 VanDerWaalsContact O-CZ 3.25Å; S473-R511 PolarHBondContact O-NE 3.04Å; S473-R511 VanDerWaalsContact O-NE 3.11Å; S473-R511 PolarHBondContact O-NH2 3.23Å
474	K	96.1	Very high	96.9	Very high	91 Å²	91	19.7 Å²	19.7	40%	0.396	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.4	177.2	75.5	-167.5	177	-175.6	0	114.5	N471 A472 E510 R555	N471-K474 WeakPolarHBondContact O-CE 3.46Å; N471-K474 WeakPolarHBondContact O-CG 3.39Å; A472-K474 PolarHBondContact O-N 3.12Å; K474-E510 WeakPolarHBondContact CB-OE2 3.26Å; K474-R555 PolarHBondContact O-NH2 2.67Å
475	L	98.1	Very high	96.5	Very high	24 Å²	24	15.8 Å²	15.8	13%	0.126	8%	0.082	C	C	.	.	S	Bend	trans	-99.4	161	-174.1	-54.7	-176.5	0	0	0	111.2	A436 A439 A472 M477 R511 Y551	A436-L475 HydrophobicContact CB-CD1 3.83Å; A436-L475 WeakPolarHBondContact O-CD1 3.37Å; A439-L475 HydrophobicContact CB-CB 4.1Å; A439-L475 HydrophobicContact CB-CD1 4.38Å; A472-L475 WeakPolarHBondContact O-CA 3.46Å; A472-L475 VanDerWaalsContact O-CB 3.24Å; A472-L475 WeakPolarHBondContact O-CB 3.28Å; A472-L475 PolarHBondContact O-N 3.32Å; L475-M477 HydrophobicContact CB-CG 4.26Å; L475-M477 PolarHBondContact O-N 3.17Å; L475-R511 PolarHBondContact O-NH2 2.92Å; L475-Y551 VanDerWaalsContact C-CE2 3.45Å; L475-Y551 WeakPolarHBondContact O-CD2 3.49Å
476	P	97.6	Very high	96.1	Very high	1 Å²	1	21 Å²	21	1%	0.006	12%	0.116	C	C	.	.	S	Bend	trans	-75	64.1	176.4	31.3	-35.6	0	0	0	111.3	A439 V442 Y448 F449 Y551	A439-P476 HydrophobicContact CB-CG 4.2Å; A439-P476 WeakPolarHBondContact O-CD 3.27Å; A439-P476 WeakPolarHBondContact O-CG 3.28Å; V442-P476 HydrophobicContact CB-CG 4.24Å; V442-P476 HydrophobicContact CG1-CG 4.5Å; Y448-P476 HydrophobicContact CD2-CB 3.83Å; Y448-P476 HydrophobicContact CE2-CB 4.35Å; F449-P476 PolarHBondContact N-O 3.48Å; P476-Y551 HydrophobicContact CB-CD1 4Å; P476-Y551 HydrophobicContact CB-CD2 4.49Å; P476-Y551 HydrophobicContact CB-CE1 3.54Å; P476-Y551 HydrophobicContact CB-CE2 4.06Å; P476-Y551 HydrophobicContact CB-CG 4.46Å; P476-Y551 HydrophobicContact CG-CE1 4.44Å
477	M	97.6	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.2	178.1	69.9	-179.4	-73.6	0	0	114.3	V435 A436 A439 F449 A472 L475 I479 I513	V435-M477 HydrophobicContact CB-CE 4.07Å; V435-M477 HydrophobicContact CG1-CE 3.9Å; V435-M477 HydrophobicContact CG1-SD 4.49Å; A436-M477 HydrophobicContact CB-SD 3.82Å; A439-M477 HydrophobicContact CB-CB 4.18Å; A439-M477 HydrophobicContact CB-CG 4.44Å; A439-M477 HydrophobicContact CB-SD 4.21Å; F449-M477 HydrophobicContact CB-CB 3.93Å; F449-M477 CarbonylContact O-C 3.38Å; F449-M477 WeakPolarHBondContact O-CA 3.46Å; F449-M477 WeakPolarHBondContact O-CB 3.41Å; A472-M477 HydrophobicContact CB-CE 4.36Å; A472-M477 HydrophobicContact CB-CG 4.28Å; A472-M477 HydrophobicContact CB-SD 3.69Å; L475-M477 HydrophobicContact CB-CG 4.26Å; L475-M477 PolarHBondContact O-N 3.17Å; M477-I479 HydrophobicContact CE-CD1 4.25Å; M477-I479 HydrophobicContact CE-CG1 3.95Å; M477-I513 WeakPolarHBondContact O-CG2 3.17Å
478	S	97.1	Very high	95	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.2	169	-70.7	0	0	0	0	110.5	Y448 F449 L451 I513 Q547	Y448-S478 PolarHBondContact OH-OG 3.44Å; F449-S478 PolarHBondContact O-N 3.24Å; L451-S478 PolarHBondContact N-O 3.32Å; S478-I513 CarbonylContact C-O 3.59Å; S478-I513 WeakPolarHBondContact CA-O 3.41Å; S478-Q547 VanDerWaalsContact CB-OE1 3.23Å; S478-Q547 PolarHBondContact OG-OE1 3.39Å
479	I	97.2	Very high	94.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.7	-178.9	-55.8	169.2	0	0	0	107.3	I432 L451 I453 I469 M477 I481 I513 V514 Q515	I432-I479 HydrophobicContact CD1-CD1 4.17Å; I432-I479 HydrophobicContact CG1-CD1 4.11Å; I432-I479 HydrophobicContact CG2-CD1 3.88Å; L451-I479 CarbonylContact O-C 3.49Å; L451-I479 WeakPolarHBondContact O-CA 3.41Å; I453-I479 HydrophobicContact CD1-CG2 4.02Å; I453-I479 HydrophobicContact CG1-CG2 4.41Å; I469-I479 HydrophobicContact CG1-CD1 4.05Å; M477-I479 HydrophobicContact CE-CD1 4.25Å; M477-I479 HydrophobicContact CE-CG1 3.95Å; I479-I481 HydrophobicContact CG2-CD1 4.47Å; I479-I481 HydrophobicContact CG2-CG1 4.01Å; I479-I513 HydrophobicContact CD1-CD1 3.96Å; I479-I513 HydrophobicContact CG1-CD1 4.46Å; I479-I513 PolarHBondContact N-O 3.42Å; I479-V514 HydrophobicContact CB-CG2 4.38Å; I479-V514 HydrophobicContact CD1-CG2 4.45Å; I479-V514 CarbonylContact O-C 3.56Å; I479-V514 VanDerWaalsContact O-CA 3.25Å; I479-V514 WeakPolarHBondContact O-CA 3.18Å; I479-Q515 PolarHBondContact O-N 3.5Å
480	I	95.7	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.8	171.6	-68	163.9	0	0	0	107.3	V360 V450 L451 L452 I453 V482 Q515 V540 L541 I544	V360-I480 HydrophobicContact CG1-CD1 4.37Å; V450-I480 HydrophobicContact CG1-CD1 3.67Å; V450-I480 HydrophobicContact CG1-CG1 4.41Å; L451-I480 PolarHBondContact O-N 2.8Å; L452-I480 CarbonylContact C-O 3.56Å; L452-I480 HydrophobicContact CD1-CB 4.08Å; L452-I480 HydrophobicContact CD1-CG2 3.48Å; L452-I480 VanDerWaalsContact CD1-CG2 3.48Å; I453-I480 PolarHBondContact N-O 2.75Å; I480-V482 HydrophobicContact CG2-CG2 4.05Å; I480-Q515 CarbonylContact C-O 3.54Å; I480-Q515 WeakPolarHBondContact CA-O 3.45Å; I480-V540 HydrophobicContact CB-CG1 4.23Å; I480-V540 HydrophobicContact CD1-CG1 3.71Å; I480-V540 HydrophobicContact CG1-CG1 3.99Å; I480-V540 HydrophobicContact CG2-CB 4.42Å; I480-V540 HydrophobicContact CG2-CG1 3.26Å; I480-V540 HydrophobicContact CG2-CG2 4.39Å; I480-L541 HydrophobicContact CD1-CD2 3.87Å; I480-I544 HydrophobicContact CD1-CD1 4.02Å; I480-I544 HydrophobicContact CD1-CG1 4.27Å; I480-I544 HydrophobicContact CG1-CD1 4.1Å
481	I	94.9	Very high	93.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.5	174.9	-53	178.5	0	0	0	108.6	F428 I453 T455 I479 M492 L495 V514 Q515 F516 V517	F428-I481 HydrophobicContact CD2-CD1 4.39Å; F428-I481 HydrophobicContact CE2-CD1 4.22Å; F428-I481 HydrophobicContact CE2-CG2 4.2Å; I453-I481 HydrophobicContact CB-CG1 4.41Å; I453-I481 CarbonylContact O-C 3.6Å; I453-I481 WeakPolarHBondContact O-CA 3.39Å; T455-I481 HydrophobicContact CG2-CG2 4.12Å; I479-I481 HydrophobicContact CG2-CD1 4.47Å; I479-I481 HydrophobicContact CG2-CG1 4.01Å; I481-M492 HydrophobicContact CG2-CG 4.24Å; I481-L495 HydrophobicContact CD1-CD1 4.15Å; I481-V514 HydrophobicContact CD1-CG1 3.87Å; I481-V514 HydrophobicContact CG1-CG1 4.29Å; I481-Q515 PolarHBondContact N-O 3.43Å; I481-F516 HydrophobicContact CB-CD2 4.02Å; I481-F516 HydrophobicContact CG2-CD2 3.87Å; I481-F516 HydrophobicContact CG2-CE2 4.38Å; I481-F516 WeakPolarHBondContact O-CA 3.3Å; I481-F516 VanDerWaalsContact O-CD2 3.31Å; I481-F516 WeakPolarHBondContact O-CD2 3.27Å; I481-V517 PolarHBondContact O-N 3.28Å
482	V	95.3	Very high	93.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.8	174	-179.1	0	0	0	0	109.5	A356 L452 I453 V454 T455 I480 V484 V517 F519 L536 V540	A356-V482 HydrophobicContact CB-CB 4.46Å; A356-V482 HydrophobicContact CB-CG1 3.86Å; L452-V482 HydrophobicContact CD1-CG2 3.78Å; I453-V482 PolarHBondContact O-N 3.3Å; V454-V482 WeakPolarHBondContact CA-O 3.4Å; V454-V482 HydrophobicContact CG1-CB 4.45Å; T455-V482 PolarHBondContact N-O 3.21Å; T455-V482 VanDerWaalsContact N-O 3.09Å; I480-V482 HydrophobicContact CG2-CG2 4.05Å; V482-V484 HydrophobicContact CG1-CG1 4.4Å; V482-V517 WeakPolarHBondContact CA-O 3.28Å; V482-F519 HydrophobicContact CG1-CB 3.92Å; V482-L536 HydrophobicContact CG1-CD1 4.14Å; V482-L536 HydrophobicContact CG1-CD2 4.36Å; V482-L536 HydrophobicContact CG2-CD1 4.41Å; V482-V540 HydrophobicContact CG2-CG2 4.06Å
483	G	94.9	Very high	92.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.4	176	0	0	0	0	0	111.6	T455 V517 F519	T455-G483 CarbonylContact O-C 3.5Å; T455-G483 WeakPolarHBondContact O-CA 3.39Å; G483-V517 PolarHBondContact N-O 3.31Å; G483-F519 WeakPolarHBondContact O-CB 3.46Å; G483-F519 PolarHBondContact O-N 3.29Å
484	V	93.6	Very high	92.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.			trans	-110.9	154.7	177.4	-59.5	0	0	0	0	112	L342 A352 Y353 V454 T455 D456 V482 F519	L342-V484 HydrophobicContact CD1-CG2 4.46Å; A352-V484 HydrophobicContact CB-CB 3.86Å; A352-V484 HydrophobicContact CB-CG1 3.87Å; Y353-V484 HydrophobicContact CD2-CG2 4.01Å; Y353-V484 HydrophobicContact CE1-CG2 4.05Å; Y353-V484 HydrophobicContact CE2-CG2 3.46Å; Y353-V484 VanDerWaalsContact CE2-CG2 3.46Å; Y353-V484 VanDerWaalsContact CZ-CG2 3.46Å; V454-V484 HydrophobicContact CG1-CG1 3.85Å; T455-V484 WeakPolarHBondContact O-CG2 3.49Å; T455-V484 PolarHBondContact O-N 2.92Å; D456-V484 VanDerWaalsContact CA-O 3.25Å; D456-V484 WeakPolarHBondContact CA-O 3.32Å; D456-V484 HydrophobicContact CB-CG2 4.12Å; V482-V484 HydrophobicContact CG1-CG1 4.4Å; V484-F519 HydrophobicContact CG1-CB 4.24Å; V484-F519 HydrophobicContact CG1-CD1 4.27Å
485	G	90.2	Very high	92	Very high	20 Å²	20	31.5 Å²	31.5	21%	0.206	18%	0.182	C	C	.	.	S	Bend	trans	78.9	-168.6	177.6	0	0	0	0	0	114.6
486	P	87.7	Confident	91.5	Very high	110 Å²	110	31.3 Å²	31.3	71%	0.714	18%	0.181	S	C	*	.	S	Bend	trans	-94.1	3.5	-165.9	36.7	-36.3	0	0	0	114.7	R520	P486-R520 PolarHBondContact O-NH1 3.08Å
487	A	86.4	Confident	90.6	Very high	27 Å²	27	31.4 Å²	31.4	22%	0.223	18%	0.182	C	C	.	.			trans	-62.8	162.1	-175.9	0	0	0	0	0	113.1	D456 F489 R520	D456-A487 WeakPolarHBondContact O-CB 3.43Å; A487-F489 HydrophobicContact CB-CE1 4.49Å; A487-F489 HydrophobicContact CB-CZ 4.41Å; A487-F489 WeakPolarHBondContact O-CD2 3.1Å; A487-F489 WeakPolarHBondContact O-CE2 3.23Å; A487-R520 PolarHBondContact O-NH1 3.48Å
488	E	85.6	Confident	89.8	Confident	133 Å²	133	36 Å²	36	62%	0.621	21%	0.207	S	C	*	.			trans	-82.6	135.6	169.4	-63	-57.9	161.2	0	0	110.3	R520	E488-R520 IonicContact OE2-NH2 3.08Å
489	F	88.4	Confident	88.9	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.035	25%	0.246	C	C	.	.			trans	-113.6	19	-170.1	-64.5	-69.7	0	0	0	113.9	A487 A491 M492 V493 F516 P518	A487-F489 HydrophobicContact CB-CE1 4.49Å; A487-F489 HydrophobicContact CB-CZ 4.41Å; A487-F489 WeakPolarHBondContact O-CD2 3.1Å; A487-F489 WeakPolarHBondContact O-CE2 3.23Å; F489-A491 PolarHBondContact O-N 2.99Å; F489-A491 VanDerWaalsContact O-N 3.11Å; F489-M492 HydrophobicContact CB-CB 4.44Å; F489-M492 HydrophobicContact CD1-CE 4.28Å; F489-M492 HydrophobicContact CD1-CG 4.37Å; F489-M492 HydrophobicContact CD1-SD 3.98Å; F489-M492 WeakPolarHBondContact O-CA 3.5Å; F489-M492 WeakPolarHBondContact O-CB 3.5Å; F489-M492 PolarHBondContact O-N 3.49Å; F489-V493 PolarHBondContact O-N 2.74Å; F489-F516 HydrophobicContact CB-CE1 3.69Å; F489-F516 HydrophobicContact CB-CE2 4.36Å; F489-F516 HydrophobicContact CB-CZ 3.37Å; F489-F516 HydrophobicContact CD1-CE2 4.13Å; F489-F516 AromaticContact CD1-CZ 3.8Å; F489-F516 HydrophobicContact CD1-CZ 3.8Å; F489-F516 HydrophobicContact CD2-CZ 4.05Å; F489-F516 HydrophobicContact CG-CE1 4.28Å; F489-F516 HydrophobicContact CG-CE2 4.28Å; F489-F516 AromaticContact CG-CZ 3.49Å; F489-F516 HydrophobicContact CG-CZ 3.49Å; F489-F516 VanDerWaalsContact CG-CZ 3.49Å; F489-P518 HydrophobicContact CD2-CB 4.04Å; F489-P518 HydrophobicContact CE2-CB 4.25Å
490	D	88.4	Confident	88.4	Confident	124 Å²	124	48.3 Å²	48.3	66%	0.663	28%	0.276	S	S	*	.	H	α-helix	trans	-51.3	-39.2	179.5	-61.6	-28.6	0	0	0	112.7	M492 V493 E494	D490-M492 VanDerWaalsContact C-N 3.31Å; D490-M492 PolarHBondContact O-N 2.72Å; D490-V493 PolarHBondContact O-N 2.68Å; D490-E494 PolarHBondContact O-N 2.89Å
491	A	86.8	Confident	88.2	Confident	29 Å²	29	53 Å²	53	24%	0.24	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-38.6	175.6	0	0	0	0	0	112.8	M462 F489	M462-A491 HydrophobicContact CE-CB 3.39Å; M462-A491 WeakPolarHBondContact CE-O 3.3Å; F489-A491 PolarHBondContact O-N 2.99Å; F489-A491 VanDerWaalsContact O-N 3.11Å
492	M	88.8	Confident	88.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-79.5	-35.5	-179.3	-68.1	67.2	173.4	0	0	111.4	F428 T455 I459 I481 F489 D490 E494 L495 D496 F516	F428-M492 HydrophobicContact CE2-CE 4.42Å; F428-M492 HydrophobicContact CZ-CE 4.2Å; T455-M492 HydrophobicContact CG2-CE 4.05Å; I459-M492 HydrophobicContact CD1-CE 4.04Å; I459-M492 HydrophobicContact CD1-CG 4.3Å; I459-M492 HydrophobicContact CD1-SD 4.16Å; I459-M492 HydrophobicContact CG1-CE 3.53Å; I459-M492 HydrophobicContact CG1-SD 4.09Å; I481-M492 HydrophobicContact CG2-CG 4.24Å; F489-M492 HydrophobicContact CB-CB 4.44Å; F489-M492 HydrophobicContact CD1-CE 4.28Å; F489-M492 HydrophobicContact CD1-CG 4.37Å; F489-M492 HydrophobicContact CD1-SD 3.98Å; F489-M492 WeakPolarHBondContact O-CA 3.5Å; F489-M492 WeakPolarHBondContact O-CB 3.5Å; F489-M492 PolarHBondContact O-N 3.49Å; D490-M492 VanDerWaalsContact C-N 3.31Å; D490-M492 PolarHBondContact O-N 2.72Å; M492-E494 PolarHBondContact O-N 2.79Å; M492-L495 WeakPolarHBondContact O-CA 3.48Å; M492-L495 WeakPolarHBondContact O-CB 3.44Å; M492-L495 PolarHBondContact O-N 3.07Å; M492-D496 PolarHBondContact O-N 2.8Å; M492-F516 HydrophobicContact CB-CB 4.35Å; M492-F516 HydrophobicContact CB-CD1 3.8Å; M492-F516 HydrophobicContact CB-CD2 3.37Å; M492-F516 HydrophobicContact CB-CE1 3.92Å; M492-F516 HydrophobicContact CB-CE2 3.5Å; M492-F516 HydrophobicContact CB-CG 3.53Å; M492-F516 HydrophobicContact CB-CZ 3.8Å; M492-F516 HydrophobicContact CG-CD2 3.91Å; M492-F516 HydrophobicContact CG-CE2 3.81Å; M492-F516 HydrophobicContact CG-CZ 4.37Å
493	V	87.8	Confident	88.1	Confident	79 Å²	79	55.6 Å²	55.6	48%	0.479	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-37	170.8	177	0	0	0	0	110.7	F489 D490 L495 D496 F516	F489-V493 PolarHBondContact O-N 2.74Å; D490-V493 PolarHBondContact O-N 2.68Å; V493-L495 PolarHBondContact O-N 3.21Å; V493-D496 WeakPolarHBondContact O-CB 3.37Å; V493-D496 PolarHBondContact O-N 2.99Å; V493-F516 HydrophobicContact CG2-CD1 4.05Å; V493-F516 HydrophobicContact CG2-CE1 4.05Å
494	E	89.1	Confident	88.1	Confident	105 Å²	105	56.6 Å²	56.6	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-26.6	173.3	-166.8	-176	-175.8	0	0	113.2	K466 D490 M492	K466-E494 IonicContact NZ-OE1 3.98Å; K466-E494 PolarHBondContact NZ-OE1 2.85Å; K466-E494 IonicContact NZ-OE2 3.86Å; K466-E494 PolarHBondContact NZ-OE2 3.27Å; D490-E494 PolarHBondContact O-N 2.89Å; M492-E494 PolarHBondContact O-N 2.79Å
495	L	90.9	Very high	88.1	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-83.7	-22.7	179	-64.9	-176.3	0	0	0	113.6	I459 M462 T465 K466 I469 I481 M492 V493 G497 V502 V514	I459-L495 HydrophobicContact CD1-CD1 3.39Å; I459-L495 HydrophobicContact CD1-CG 4.5Å; M462-L495 HydrophobicContact CE-CG 4.42Å; M462-L495 HydrophobicContact SD-CD1 4.49Å; M462-L495 HydrophobicContact SD-CD2 3.79Å; M462-L495 HydrophobicContact SD-CG 4.25Å; T465-L495 HydrophobicContact CG2-CD1 3.74Å; T465-L495 HydrophobicContact CG2-CD2 4.42Å; K466-L495 HydrophobicContact CG-CD2 3.8Å; I469-L495 HydrophobicContact CD1-CB 4.37Å; I469-L495 HydrophobicContact CD1-CD1 4.08Å; I469-L495 HydrophobicContact CD1-CD2 3.71Å; I469-L495 HydrophobicContact CD1-CG 4.27Å; I481-L495 HydrophobicContact CD1-CD1 4.15Å; M492-L495 WeakPolarHBondContact O-CA 3.48Å; M492-L495 WeakPolarHBondContact O-CB 3.44Å; M492-L495 PolarHBondContact O-N 3.07Å; V493-L495 PolarHBondContact O-N 3.21Å; L495-G497 PolarHBondContact O-N 3.41Å; L495-V502 VanDerWaalsContact O-CG2 3.27Å; L495-V502 WeakPolarHBondContact O-CG2 3.28Å; L495-V514 HydrophobicContact CB-CG1 4.22Å; L495-V514 VanDerWaalsContact O-CB 3.23Å; L495-V514 WeakPolarHBondContact O-CB 3.39Å; L495-V514 WeakPolarHBondContact O-CG1 3.46Å
496	D	87.2	Confident	88.1	Confident	19 Å²	19	68.5 Å²	68.5	10%	0.102	38%	0.379	C	S	.	.	H	α-helix	trans	-59.5	-27.6	-174.2	-151.5	18.2	0	0	0	113.2	M492 V493 D498 Q515 F516	M492-D496 PolarHBondContact O-N 2.8Å; V493-D496 WeakPolarHBondContact O-CB 3.37Å; V493-D496 PolarHBondContact O-N 2.99Å; D496-D498 PolarHBondContact O-N 2.77Å; D496-D498 VanDerWaalsContact O-N 3.1Å; D496-Q515 VanDerWaalsContact OD1-CA 3.24Å; D496-Q515 WeakPolarHBondContact OD1-CA 3.49Å; D496-F516 HydrophobicContact CB-CB 4.23Å; D496-F516 PolarHBondContact OD1-N 2.93Å
497	G	79.4	Confident	88.4	Confident	4 Å²	4	70.4 Å²	70.4	4%	0.041	38%	0.376	C	S	.	.			trans	79	-13	169.7	0	0	0	0	0	116	L495 V500 D512	L495-G497 PolarHBondContact O-N 3.41Å; G497-V500 CarbonylContact O-C 2.99Å; G497-D512 WeakPolarHBondContact CA-OD2 3.39Å
498	D	79.7	Confident	88.9	Confident	96 Å²	96	76.4 Å²	76.4	51%	0.513	39%	0.394	S	S	.	.	S	Bend	trans	-52.5	-54.9	178.8	-81.5	-6	0	0	0	113.9	D496	D496-D498 PolarHBondContact O-N 2.77Å; D496-D498 VanDerWaalsContact O-N 3.1Å
499	D	79.4	Confident	89.4	Confident	156 Å²	156	70.5 Å²	70.5	83%	0.834	37%	0.367	S	S	*	.	S	Bend	trans	-81.2	-44.5	-179.4	-74.8	-38.3	0	0	0	111.7
500	V	85.9	Confident	89.7	Confident	104 Å²	104	75.8 Å²	75.8	63%	0.63	39%	0.392	S	S	*	.	S	Bend	trans	-138.3	116.3	-173.8	-177	0	0	0	0	109.8	G497 V502	G497-V500 CarbonylContact O-C 2.99Å; V500-V502 PolarHBondContact O-N 2.87Å
501	R	91.6	Very high	89.9	Confident	99 Å²	99	70.7 Å²	70.7	37%	0.374	36%	0.364	S	S	.	.			trans	-52.2	123.3	175.3	-168.6	68.2	62	-144.3	-2.3	110.8	S503 Y508 A509 D512	R501-S503 PolarHBondContact O-N 2.96Å; R501-Y508 HydrophobicContact CB-CD1 4.27Å; R501-A509 WeakPolarHBondContact CD-O 3.21Å; R501-A509 HydrophobicContact CG-CB 4.12Å; R501-A509 WeakPolarHBondContact CG-O 3.49Å; R501-D512 IonicContact CZ-OD2 2.77Å; R501-D512 IonicContact NH1-OD1 2.67Å; R501-D512 IonicContact NH1-OD2 2.78Å; R501-D512 PolarHBondContact NH1-OD2 3.1Å
502	V	93.8	Very high	90.3	Very high	8 Å²	8	70.5 Å²	70.5	5%	0.048	36%	0.359	C	S	.	.			trans	-53	135.3	178.8	-179.1	0	0	0	0	110.6	K466 I469 V470 L495 V500 A509	K466-V502 HydrophobicContact CB-CG1 4.14Å; K466-V502 HydrophobicContact CG-CG1 3.95Å; I469-V502 HydrophobicContact CB-CG1 4.4Å; I469-V502 HydrophobicContact CG2-CB 4.2Å; I469-V502 HydrophobicContact CG2-CG1 4.06Å; I469-V502 HydrophobicContact CG2-CG2 4.36Å; V470-V502 HydrophobicContact CG2-CG1 4.24Å; L495-V502 VanDerWaalsContact O-CG2 3.27Å; L495-V502 WeakPolarHBondContact O-CG2 3.28Å; V500-V502 PolarHBondContact O-N 2.87Å; V502-A509 PolarHBondContact O-N 3.44Å
503	S	94.5	Very high	90.6	Very high	47 Å²	47	70.5 Å²	70.5	33%	0.329	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	151.5	178.9	70	0	0	0	0	112.5	R501 K507	R501-S503 PolarHBondContact O-N 2.96Å; S503-K507 CarbonylContact C-O 3.55Å; S503-K507 WeakPolarHBondContact CA-O 3Å; S503-K507 VanDerWaalsContact CB-O 3.32Å; S503-K507 WeakPolarHBondContact CB-O 3.24Å
504	S	95.6	Very high	91	Very high	20 Å²	20	66.8 Å²	66.8	14%	0.14	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	131.5	175.3	-175.2	0	0	0	0	109.8	G506 K507	S504-G506 PolarHBondContact O-N 3.21Å; S504-G506 VanDerWaalsContact O-N 3.15Å; S504-K507 PolarHBondContact N-O 3.23Å; S504-K507 PolarHBondContact O-N 3.38Å
505	R	93	Very high	91.2	Very high	201 Å²	201	62.6 Å²	62.6	76%	0.758	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	41.6	-179.6	-56.2	-173.4	-174.8	136.1	16.3	113.7	E467 K507	E467-R505 IonicContact OE1-CZ 2.78Å; E467-R505 IonicContact OE1-NH1 3.47Å; E467-R505 PolarHBondContact OE1-NH1 3.25Å; E467-R505 IonicContact OE1-NH2 2.64Å; E467-R505 IonicContact OE2-CZ 3.86Å; E467-R505 IonicContact OE2-NH1 2.74Å; E467-R505 PolarHBondContact OE2-NH1 2.99Å; E467-R505 IonicContact OE2-NH2 3.81Å; E467-R505 PolarHBondContact OE2-NH2 3.04Å; R505-K507 VanDerWaalsContact C-N 3.3Å; R505-K507 PolarHBondContact O-N 3.49Å
506	G	90.4	Very high	91.2	Very high	70 Å²	70	63.1 Å²	63.1	72%	0.722	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	6.8	178.3	0	0	0	0	0	115.5	S504	S504-G506 PolarHBondContact O-N 3.21Å; S504-G506 VanDerWaalsContact O-N 3.15Å
507	K	94.3	Very high	91.4	Very high	149 Å²	149	62.4 Å²	62.4	65%	0.648	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.6	171.7	-64.8	-177.2	-179.9	179.8	0	110	V470 S503 S504 R505	V470-K507 HydrophobicContact CG1-CB 4.18Å; S503-K507 CarbonylContact C-O 3.55Å; S503-K507 WeakPolarHBondContact CA-O 3Å; S503-K507 VanDerWaalsContact CB-O 3.32Å; S503-K507 WeakPolarHBondContact CB-O 3.24Å; S504-K507 PolarHBondContact N-O 3.23Å; S504-K507 PolarHBondContact O-N 3.38Å; R505-K507 VanDerWaalsContact C-N 3.3Å; R505-K507 PolarHBondContact O-N 3.49Å
508	Y	95.7	Very high	92	Very high	154 Å²	154	63.3 Å²	63.3	60%	0.604	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	149.1	174.7	-68.2	-92	0	0	0	110.4	R501	R501-Y508 HydrophobicContact CB-CD1 4.27Å
509	A	95.9	Very high	92.6	Very high	8 Å²	8	58.8 Å²	58.8	7%	0.066	30%	0.296	C	S	.	.			trans	-59.2	138.9	169.2	0	0	0	0	0	110.6	V470 S473 R501 V502 R511	V470-A509 HydrophobicContact CG2-CB 4.38Å; S473-A509 WeakPolarHBondContact OG-CA 3.29Å; R501-A509 WeakPolarHBondContact CD-O 3.21Å; R501-A509 HydrophobicContact CG-CB 4.12Å; R501-A509 WeakPolarHBondContact CG-O 3.49Å; V502-A509 PolarHBondContact O-N 3.44Å; A509-R511 VanDerWaalsContact C-N 3.28Å; A509-R511 PolarHBondContact O-N 2.87Å
510	E	94.6	Very high	93	Very high	120 Å²	120	55.6 Å²	55.6	56%	0.561	27%	0.272	S	S	*	.	S	Bend	trans	-67.9	-29.2	-178.6	-73.2	-177.3	-162.9	0	0	112.3	S473 K474 R555	S473-E510 PolarHBondContact OG-N 2.87Å; K474-E510 WeakPolarHBondContact CB-OE2 3.26Å; E510-R555 IonicContact OE2-NH2 2.79Å; E510-R555 PolarHBondContact OE2-NH2 2.84Å
511	R	94.3	Very high	93	Very high	16 Å²	16	55.8 Å²	55.8	6%	0.06	27%	0.27	C	S	.	.	S	Bend	trans	-147.7	165.6	-177.8	-62.4	-179.2	-59.9	102.5	4.2	109.4	S473 L475 A509 Q547 S550	S473-R511 VanDerWaalsContact O-CZ 3.25Å; S473-R511 PolarHBondContact O-NE 3.04Å; S473-R511 VanDerWaalsContact O-NE 3.11Å; S473-R511 PolarHBondContact O-NH2 3.23Å; L475-R511 PolarHBondContact O-NH2 2.92Å; A509-R511 VanDerWaalsContact C-N 3.28Å; A509-R511 PolarHBondContact O-N 2.87Å; R511-Q547 PolarHBondContact NH1-O 3.07Å; R511-S550 WeakPolarHBondContact CD-OG 3.26Å
512	D	93.8	Very high	92.6	Very high	25 Å²	25	52.8 Å²	52.8	13%	0.134	26%	0.259	C	S	.	.			trans	-73.4	138.7	161	-134.4	-35.3	0	0	0	111.2	G497 R501 V514	G497-D512 WeakPolarHBondContact CA-OD2 3.39Å; R501-D512 IonicContact CZ-OD2 2.77Å; R501-D512 IonicContact NH1-OD1 2.67Å; R501-D512 IonicContact NH1-OD2 2.78Å; R501-D512 PolarHBondContact NH1-OD2 3.1Å; D512-V514 PolarHBondContact OD1-N 2.81Å
513	I	95.8	Very high	91.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.			trans	-144.6	2	177.6	64.7	157.7	0	0	0	112.4	I469 A472 M477 S478 I479	I469-I513 HydrophobicContact CG2-CD1 4.23Å; I469-I513 HydrophobicContact CG2-CG1 4.14Å; A472-I513 HydrophobicContact CB-CD1 3.75Å; M477-I513 WeakPolarHBondContact O-CG2 3.17Å; S478-I513 CarbonylContact C-O 3.59Å; S478-I513 WeakPolarHBondContact CA-O 3.41Å; I479-I513 HydrophobicContact CD1-CD1 3.96Å; I479-I513 HydrophobicContact CG1-CD1 4.46Å; I479-I513 PolarHBondContact N-O 3.42Å
514	V	95.3	Very high	90.5	Very high	1 Å²	1	58 Å²	58	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.5	-178.9	-177.5	0	0	0	0	107.8	I469 I479 I481 L495 D512	I469-V514 HydrophobicContact CD1-CG2 3.93Å; I469-V514 HydrophobicContact CG1-CG2 4.13Å; I469-V514 HydrophobicContact CG2-CG2 3.9Å; I479-V514 HydrophobicContact CB-CG2 4.38Å; I479-V514 HydrophobicContact CD1-CG2 4.45Å; I479-V514 CarbonylContact O-C 3.56Å; I479-V514 VanDerWaalsContact O-CA 3.25Å; I479-V514 WeakPolarHBondContact O-CA 3.18Å; I481-V514 HydrophobicContact CD1-CG1 3.87Å; I481-V514 HydrophobicContact CG1-CG1 4.29Å; L495-V514 HydrophobicContact CB-CG1 4.22Å; L495-V514 VanDerWaalsContact O-CB 3.23Å; L495-V514 WeakPolarHBondContact O-CB 3.39Å; L495-V514 WeakPolarHBondContact O-CG1 3.46Å; D512-V514 PolarHBondContact OD1-N 2.81Å
515	Q	93.3	Very high	88.8	Confident	17 Å²	17	69.3 Å²	69.3	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.9	163.5	-179.3	63.4	46.1	0	0	108	I479 I480 I481 D496 V517 E543	I479-Q515 PolarHBondContact O-N 3.5Å; I480-Q515 CarbonylContact C-O 3.54Å; I480-Q515 WeakPolarHBondContact CA-O 3.45Å; I481-Q515 PolarHBondContact N-O 3.43Å; D496-Q515 VanDerWaalsContact OD1-CA 3.24Å; D496-Q515 WeakPolarHBondContact OD1-CA 3.49Å; Q515-V517 HydrophobicContact CG-CG2 4.14Å; Q515-E543 PolarHBondContact OE1-OE1 3.21Å; Q515-E543 PolarHBondContact OE1-OE2 2.83Å
516	F	92.4	Very high	87.4	Confident	12 Å²	12	63.7 Å²	63.7	5%	0.053	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.3	173.4	172.8	-111.3	0	0	0	111.3	I481 F489 M492 V493 D496 P518	I481-F516 HydrophobicContact CB-CD2 4.02Å; I481-F516 HydrophobicContact CG2-CD2 3.87Å; I481-F516 HydrophobicContact CG2-CE2 4.38Å; I481-F516 WeakPolarHBondContact O-CA 3.3Å; I481-F516 VanDerWaalsContact O-CD2 3.31Å; I481-F516 WeakPolarHBondContact O-CD2 3.27Å; F489-F516 HydrophobicContact CB-CE1 3.69Å; F489-F516 HydrophobicContact CB-CE2 4.36Å; F489-F516 HydrophobicContact CB-CZ 3.37Å; F489-F516 HydrophobicContact CD1-CE2 4.13Å; F489-F516 AromaticContact CD1-CZ 3.8Å; F489-F516 HydrophobicContact CD1-CZ 3.8Å; F489-F516 HydrophobicContact CD2-CZ 4.05Å; F489-F516 HydrophobicContact CG-CE1 4.28Å; F489-F516 HydrophobicContact CG-CE2 4.28Å; F489-F516 AromaticContact CG-CZ 3.49Å; F489-F516 HydrophobicContact CG-CZ 3.49Å; F489-F516 VanDerWaalsContact CG-CZ 3.49Å; M492-F516 HydrophobicContact CB-CB 4.35Å; M492-F516 HydrophobicContact CB-CD1 3.8Å; M492-F516 HydrophobicContact CB-CD2 3.37Å; M492-F516 HydrophobicContact CB-CE1 3.92Å; M492-F516 HydrophobicContact CB-CE2 3.5Å; M492-F516 HydrophobicContact CB-CG 3.53Å; M492-F516 HydrophobicContact CB-CZ 3.8Å; M492-F516 HydrophobicContact CG-CD2 3.91Å; M492-F516 HydrophobicContact CG-CE2 3.81Å; M492-F516 HydrophobicContact CG-CZ 4.37Å; V493-F516 HydrophobicContact CG2-CD1 4.05Å; V493-F516 HydrophobicContact CG2-CE1 4.05Å; D496-F516 HydrophobicContact CB-CB 4.23Å; D496-F516 PolarHBondContact OD1-N 2.93Å; F516-P518 HydrophobicContact CE1-CB 4.32Å; F516-P518 HydrophobicContact CE1-CG 4.29Å; F516-P518 HydrophobicContact CZ-CB 3.98Å; F516-P518 HydrophobicContact CZ-CG 4.43Å
517	V	91.3	Very high	86.1	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121.5	175.2	-178	0	0	0	0	110.8	I481 V482 G483 Q515 F519 Y522 L536 D539 V540	I481-V517 PolarHBondContact O-N 3.28Å; V482-V517 WeakPolarHBondContact CA-O 3.28Å; G483-V517 PolarHBondContact N-O 3.31Å; Q515-V517 HydrophobicContact CG-CG2 4.14Å; V517-F519 PolarHBondContact O-N 3.21Å; V517-Y522 HydrophobicContact CG1-CD2 4.02Å; V517-Y522 HydrophobicContact CG1-CE2 3.12Å; V517-Y522 WeakPolarHBondContact CG1-OH 3.07Å; V517-L536 HydrophobicContact CB-CD1 4.3Å; V517-L536 HydrophobicContact CG1-CD1 3.72Å; V517-D539 HydrophobicContact CG2-CB 4.43Å; V517-V540 HydrophobicContact CB-CG2 3.69Å; V517-V540 HydrophobicContact CG1-CG2 4.18Å; V517-V540 HydrophobicContact CG2-CB 4.45Å; V517-V540 HydrophobicContact CG2-CG2 3.54Å
518	P	92.3	Very high	85.1	Confident	22 Å²	22	57.9 Å²	57.9	14%	0.143	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	113.4	171.5	31.5	-33.8	0	0	0	110.3	F489 F516 R520 D521 Y522	F489-P518 HydrophobicContact CD2-CB 4.04Å; F489-P518 HydrophobicContact CE2-CB 4.25Å; F516-P518 HydrophobicContact CE1-CB 4.32Å; F516-P518 HydrophobicContact CE1-CG 4.29Å; F516-P518 HydrophobicContact CZ-CB 3.98Å; F516-P518 HydrophobicContact CZ-CG 4.43Å; P518-R520 HydrophobicContact CB-CG 4.41Å; P518-R520 PolarHBondContact O-N 2.94Å; P518-D521 HydrophobicContact CG-CB 4.44Å; P518-D521 WeakPolarHBondContact CG-OD2 3.49Å; P518-D521 PolarHBondContact O-N 3.29Å; P518-D521 VanDerWaalsContact O-N 3.13Å; P518-Y522 WeakPolarHBondContact O-CE2 3.28Å
519	F	90.6	Very high	84.2	Confident	2 Å²	2	54 Å²	54	1%	0.009	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27.5	-174.8	-176	-138.6	0	0	0	113.7	A352 M355 V482 G483 V484 V517 D521 Y522 M523 L536	A352-F519 HydrophobicContact CB-CD1 4.06Å; A352-F519 HydrophobicContact CB-CE1 4.2Å; M355-F519 HydrophobicContact CB-CE1 3.91Å; M355-F519 HydrophobicContact CB-CZ 3.69Å; M355-F519 HydrophobicContact CE-CE1 3.9Å; M355-F519 HydrophobicContact CE-CZ 4.25Å; M355-F519 HydrophobicContact SD-CE1 4.37Å; M355-F519 HydrophobicContact SD-CZ 4.13Å; V482-F519 HydrophobicContact CG1-CB 3.92Å; G483-F519 WeakPolarHBondContact O-CB 3.46Å; G483-F519 PolarHBondContact O-N 3.29Å; V484-F519 HydrophobicContact CG1-CB 4.24Å; V484-F519 HydrophobicContact CG1-CD1 4.27Å; V517-F519 PolarHBondContact O-N 3.21Å; F519-D521 PolarHBondContact O-N 2.8Å; F519-D521 VanDerWaalsContact O-N 3.14Å; F519-Y522 PolarHBondContact O-N 3.22Å; F519-Y522 VanDerWaalsContact O-N 3.12Å; F519-M523 HydrophobicContact CE1-CG 4.34Å; F519-M523 HydrophobicContact CE1-SD 4.34Å; F519-M523 HydrophobicContact CZ-CG 4.45Å; F519-L536 HydrophobicContact CD2-CB 4.06Å; F519-L536 HydrophobicContact CD2-CD1 3.96Å; F519-L536 HydrophobicContact CD2-CD2 3.54Å; F519-L536 HydrophobicContact CD2-CG 4.03Å; F519-L536 HydrophobicContact CE2-CB 4.07Å; F519-L536 HydrophobicContact CE2-CD2 3.68Å; F519-L536 HydrophobicContact CE2-CG 4.34Å; F519-L536 HydrophobicContact CG-CD2 4.35Å
520	R	87.9	Confident	83.5	Confident	88 Å²	88	57.7 Å²	57.7	33%	0.332	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.6	-26	179.2	71.9	-171.6	175.9	-165.5	-0.3	113.5	P486 A487 E488 P518 Y522 M523	P486-R520 PolarHBondContact O-NH1 3.08Å; A487-R520 PolarHBondContact O-NH1 3.48Å; E488-R520 IonicContact OE2-NH2 3.08Å; P518-R520 HydrophobicContact CB-CG 4.41Å; P518-R520 PolarHBondContact O-N 2.94Å; R520-Y522 PolarHBondContact O-N 3.35Å; R520-M523 PolarHBondContact O-N 3.33Å
521	D	86.3	Confident	82.9	Confident	109 Å²	109	53.9 Å²	53.9	58%	0.583	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-73.7	-14.8	-177.4	-66.6	1.6	0	0	0	112.1	P518 F519	P518-D521 HydrophobicContact CG-CB 4.44Å; P518-D521 WeakPolarHBondContact CG-OD2 3.49Å; P518-D521 PolarHBondContact O-N 3.29Å; P518-D521 VanDerWaalsContact O-N 3.13Å; F519-D521 PolarHBondContact O-N 2.8Å; F519-D521 VanDerWaalsContact O-N 3.14Å
522	Y	83.3	Confident	82.4	Confident	36 Å²	36	53.2 Å²	53.2	14%	0.141	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-108	-9.5	-177.2	-55	-82.6	0	0	0	113.5	V517 P518 F519 R520 D524 S532 R535 L536 D539	V517-Y522 HydrophobicContact CG1-CD2 4.02Å; V517-Y522 HydrophobicContact CG1-CE2 3.12Å; V517-Y522 WeakPolarHBondContact CG1-OH 3.07Å; P518-Y522 WeakPolarHBondContact O-CE2 3.28Å; F519-Y522 PolarHBondContact O-N 3.22Å; F519-Y522 VanDerWaalsContact O-N 3.12Å; R520-Y522 PolarHBondContact O-N 3.35Å; Y522-D524 PolarHBondContact O-N 2.85Å; Y522-S532 WeakPolarHBondContact O-CA 3.3Å; Y522-S532 WeakPolarHBondContact O-CB 3.02Å; Y522-S532 PolarHBondContact O-OG 2.79Å; Y522-R535 HydrophobicContact CD1-CB 3.56Å; Y522-R535 HydrophobicContact CE1-CB 4.29Å; Y522-R535 HydrophobicContact CG-CB 4.42Å; Y522-L536 HydrophobicContact CD2-CD1 4.32Å; Y522-L536 HydrophobicContact CG-CB 4.39Å; Y522-D539 HydrophobicContact CE1-CB 4.32Å; Y522-D539 WeakPolarHBondContact CE1-OD2 3.33Å; Y522-D539 WeakPolarHBondContact OH-CB 3.34Å; Y522-D539 PolarHBondContact OH-OD2 3.41Å
523	M	77	Confident	82	Confident	104 Å²	104	53.3 Å²	53.3	51%	0.512	27%	0.268	S	S	.	.			trans	-71.6	110.5	179.2	-66.3	-155.9	-58.3	0	0	110.3	F519 R520	F519-M523 HydrophobicContact CE1-CG 4.34Å; F519-M523 HydrophobicContact CE1-SD 4.34Å; F519-M523 HydrophobicContact CZ-CG 4.45Å; R520-M523 PolarHBondContact O-N 3.33Å
524	D	67.8	Low	81.5	Confident	59 Å²	59	54.9 Å²	54.9	32%	0.316	28%	0.28	S	S	.	.			trans	-71.3	135.4	175.9	-168.5	-6.1	0	0	0	111.2	Y522 S526 G527 S532	Y522-D524 PolarHBondContact O-N 2.85Å; D524-S526 PolarHBondContact O-N 2.74Å; D524-S526 PolarHBondContact OD1-N 2.77Å; D524-S526 PolarHBondContact OD1-OG 2.97Å; D524-S526 WeakPolarHBondContact OD2-CB 3.16Å; D524-S526 PolarHBondContact OD2-OG 2.9Å; D524-G527 PolarHBondContact O-N 2.9Å; D524-G527 VanDerWaalsContact O-N 3.15Å; D524-S532 PolarHBondContact N-OG 2.81Å
525	R	60.4	Low	81.1	Confident	258 Å²	258	59.8 Å²	59.8	97%	0.974	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.4	172	-64.1	-177.2	-179.8	179.6	0.6	112.4	G527	R525-G527 VanDerWaalsContact C-N 3.31Å
526	S	62.6	Low	80.8	Confident	84 Å²	84	59 Å²	59	59%	0.587	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.7	176.2	79.8	0	0	0	0	114.3	D524 N528	D524-S526 PolarHBondContact O-N 2.74Å; D524-S526 PolarHBondContact OD1-N 2.77Å; D524-S526 PolarHBondContact OD1-OG 2.97Å; D524-S526 WeakPolarHBondContact OD2-CB 3.16Å; D524-S526 PolarHBondContact OD2-OG 2.9Å; S526-N528 PolarHBondContact OG-N 2.96Å
527	G	62.9	Low	80.6	Confident	42 Å²	42	58.4 Å²	58.4	43%	0.433	29%	0.293	S	S	.	.			trans	79.3	11.4	-178.1	0	0	0	0	0	115	D524 R525 H529	D524-G527 PolarHBondContact O-N 2.9Å; D524-G527 VanDerWaalsContact O-N 3.15Å; R525-G527 VanDerWaalsContact C-N 3.31Å; G527-H529 PolarHBondContact O-CD2 3.25Å; G527-H529 PolarHBondContact O-N 2.9Å
528	N	73.4	Confident	80.4	Confident	55 Å²	55	60.4 Å²	60.4	29%	0.294	30%	0.301	S	S	.	.			trans	-77.9	86.2	173.4	-167.4	-17	0	0	0	111.3	S526 I530 L531 S532	S526-N528 PolarHBondContact OG-N 2.96Å; N528-I530 PolarHBondContact O-N 3.33Å; N528-I530 PolarHBondContact OD1-N 2.78Å; N528-L531 HydrophobicContact CB-CD1 4.43Å; N528-L531 WeakPolarHBondContact ND2-CD1 3.45Å; N528-L531 PolarHBondContact O-N 3.47Å; N528-L531 PolarHBondContact OD1-N 2.85Å; N528-S532 PolarHBondContact O-N 3.07Å; N528-S532 PolarHBondContact O-OG 2.61Å
529	H	78.1	Confident	80.1	Confident	72 Å²	72	62.7 Å²	62.7	33%	0.333	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-29.5	-179.6	-58.6	-65	0	0	0	113.3	M355 G527 S532 M533	M355-H529 HydrophobicContact SD-CB 4.09Å; M355-H529 PolarHBondContact SD-ND1 3.5Å; G527-H529 PolarHBondContact O-CD2 3.25Å; G527-H529 PolarHBondContact O-N 2.9Å; H529-S532 PolarHBondContact O-N 3.41Å; H529-M533 VanDerWaalsContact O-CG 3.3Å; H529-M533 WeakPolarHBondContact O-CG 3.46Å; H529-M533 PolarHBondContact O-N 2.72Å
530	I	80.4	Confident	79.9	Confident	85 Å²	85	62.6 Å²	62.6	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-46.8	-177.6	-58.8	172.3	0	0	0	110.8	N528 S532 M533 A534	N528-I530 PolarHBondContact O-N 3.33Å; N528-I530 PolarHBondContact OD1-N 2.78Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 3.46Å; I530-M533 PolarHBondContact O-N 2.89Å; I530-A534 PolarHBondContact O-N 3.4Å
531	L	81.4	Confident	79.9	Confident	40 Å²	40	58.4 Å²	58.4	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-35.3	176.7	-68.6	176.7	0	0	0	111.7	V68 N528 A534 R535	V68-L531 HydrophobicContact CG1-CD2 4.33Å; N528-L531 HydrophobicContact CB-CD1 4.43Å; N528-L531 WeakPolarHBondContact ND2-CD1 3.45Å; N528-L531 PolarHBondContact O-N 3.47Å; N528-L531 PolarHBondContact OD1-N 2.85Å; L531-A534 PolarHBondContact O-N 3.44Å; L531-R535 WeakPolarHBondContact O-CG 3.35Å; L531-R535 PolarHBondContact O-N 2.73Å; L531-R535 VanDerWaalsContact O-N 3.08Å
532	S	83.9	Confident	79.8	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-45.5	177	-52.6	0	0	0	0	111.2	Y522 D524 N528 H529 I530 R535 L536	Y522-S532 WeakPolarHBondContact O-CA 3.3Å; Y522-S532 WeakPolarHBondContact O-CB 3.02Å; Y522-S532 PolarHBondContact O-OG 2.79Å; D524-S532 PolarHBondContact N-OG 2.81Å; N528-S532 PolarHBondContact O-N 3.07Å; N528-S532 PolarHBondContact O-OG 2.61Å; H529-S532 PolarHBondContact O-N 3.41Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 3.46Å; S532-R535 PolarHBondContact O-N 3.13Å; S532-L536 PolarHBondContact O-N 3.14Å
533	M	86.2	Confident	79.9	Confident	27 Å²	27	56.7 Å²	56.7	13%	0.133	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-42.9	175.6	-72.2	-174.1	-31.4	0	0	112.2	M355 K358 A359 H529 I530 R535 L536 A537	M355-M533 HydrophobicContact CB-CG 4.25Å; M355-M533 HydrophobicContact CB-SD 4.37Å; M355-M533 HydrophobicContact CG-SD 4.46Å; K358-M533 HydrophobicContact CB-SD 4.38Å; A359-M533 HydrophobicContact CB-CB 3.72Å; A359-M533 HydrophobicContact CB-CG 4.03Å; H529-M533 VanDerWaalsContact O-CG 3.3Å; H529-M533 WeakPolarHBondContact O-CG 3.46Å; H529-M533 PolarHBondContact O-N 2.72Å; I530-M533 PolarHBondContact O-N 2.89Å; M533-R535 PolarHBondContact O-N 3.14Å; M533-L536 PolarHBondContact O-N 3.46Å; M533-A537 WeakPolarHBondContact O-CB 3.16Å; M533-A537 PolarHBondContact O-N 2.99Å
534	A	84.9	Confident	80.6	Confident	32 Å²	32	51.8 Å²	51.8	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-40.2	-179.7	0	0	0	0	0	112.8	V68 I530 L531 A537 K538	V68-A534 HydrophobicContact CG1-CB 3.31Å; I530-A534 PolarHBondContact O-N 3.4Å; L531-A534 PolarHBondContact O-N 3.44Å; A534-A537 PolarHBondContact O-N 3.05Å; A534-K538 WeakPolarHBondContact O-CB 3.36Å; A534-K538 PolarHBondContact O-N 3.07Å
535	R	86.4	Confident	81.7	Confident	104 Å²	104	50.1 Å²	50.1	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-68.4	-39.6	175.7	-64.4	172.2	-177.5	165.4	1.5	112.2	Y522 L531 S532 M533 K538 D539	Y522-R535 HydrophobicContact CD1-CB 3.56Å; Y522-R535 HydrophobicContact CE1-CB 4.29Å; Y522-R535 HydrophobicContact CG-CB 4.42Å; L531-R535 WeakPolarHBondContact O-CG 3.35Å; L531-R535 PolarHBondContact O-N 2.73Å; L531-R535 VanDerWaalsContact O-N 3.08Å; S532-R535 PolarHBondContact O-N 3.13Å; M533-R535 PolarHBondContact O-N 3.14Å; R535-K538 WeakPolarHBondContact O-CB 3.28Å; R535-K538 PolarHBondContact O-N 3.38Å; R535-D539 PolarHBondContact O-N 2.89Å
536	L	87.9	Confident	83.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-52.3	172.6	171.3	69.7	0	0	0	110.4	A356 A359 V482 V517 F519 Y522 S532 M533 K538 D539 V540	A356-L536 HydrophobicContact CB-CD2 4.06Å; A359-L536 HydrophobicContact CB-CD2 3.95Å; V482-L536 HydrophobicContact CG1-CD1 4.14Å; V482-L536 HydrophobicContact CG1-CD2 4.36Å; V482-L536 HydrophobicContact CG2-CD1 4.41Å; V517-L536 HydrophobicContact CB-CD1 4.3Å; V517-L536 HydrophobicContact CG1-CD1 3.72Å; F519-L536 HydrophobicContact CD2-CB 4.06Å; F519-L536 HydrophobicContact CD2-CD1 3.96Å; F519-L536 HydrophobicContact CD2-CD2 3.54Å; F519-L536 HydrophobicContact CD2-CG 4.03Å; F519-L536 HydrophobicContact CE2-CB 4.07Å; F519-L536 HydrophobicContact CE2-CD2 3.68Å; F519-L536 HydrophobicContact CE2-CG 4.34Å; F519-L536 HydrophobicContact CG-CD2 4.35Å; Y522-L536 HydrophobicContact CD2-CD1 4.32Å; Y522-L536 HydrophobicContact CG-CB 4.39Å; S532-L536 PolarHBondContact O-N 3.14Å; M533-L536 PolarHBondContact O-N 3.46Å; L536-K538 VanDerWaalsContact C-N 3.27Å; L536-K538 PolarHBondContact O-N 3.44Å; L536-D539 PolarHBondContact O-N 3.36Å; L536-V540 HydrophobicContact CD1-CG2 3.67Å; L536-V540 HydrophobicContact CG-CG2 4.15Å; L536-V540 VanDerWaalsContact O-CB 3.26Å; L536-V540 WeakPolarHBondContact O-CB 3.12Å; L536-V540 VanDerWaalsContact O-CG2 3.23Å; L536-V540 WeakPolarHBondContact O-CG2 3.24Å; L536-V540 PolarHBondContact O-N 2.95Å
537	A	88.4	Confident	84.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-39.6	-177.8	0	0	0	0	0	112	A359 I363 M533 A534 D539 V540 L541	A359-A537 HydrophobicContact CB-CB 4.46Å; I363-A537 HydrophobicContact CD1-CB 3.48Å; I363-A537 VanDerWaalsContact CD1-CB 3.48Å; M533-A537 WeakPolarHBondContact O-CB 3.16Å; M533-A537 PolarHBondContact O-N 2.99Å; A534-A537 PolarHBondContact O-N 3.05Å; A537-D539 PolarHBondContact O-N 3.21Å; A537-V540 PolarHBondContact O-N 3.02Å; A537-L541 HydrophobicContact CB-CD1 4.48Å; A537-L541 VanDerWaalsContact O-CB 3.25Å; A537-L541 WeakPolarHBondContact O-CB 3.27Å; A537-L541 WeakPolarHBondContact O-CG 3.32Å; A537-L541 PolarHBondContact O-N 3.23Å
538	K	86.3	Confident	86.1	Confident	46 Å²	46	37.1 Å²	37.1	20%	0.2	19%	0.192	C	C	.	.	H	α-helix	trans	-53.6	-55.3	176.8	-169.8	179.3	-171.8	112.6	0	111.6	E101 E102 A534 R535 L536 A542	E101-K538 HydrophobicContact CG-CB 4.2Å; E101-K538 HydrophobicContact CG-CG 3.69Å; E102-K538 IonicContact OE1-NZ 2.72Å; E102-K538 PolarHBondContact OE1-NZ 3.09Å; A534-K538 WeakPolarHBondContact O-CB 3.36Å; A534-K538 PolarHBondContact O-N 3.07Å; R535-K538 WeakPolarHBondContact O-CB 3.28Å; R535-K538 PolarHBondContact O-N 3.38Å; L536-K538 VanDerWaalsContact C-N 3.27Å; L536-K538 PolarHBondContact O-N 3.44Å; K538-A542 VanDerWaalsContact O-CB 3.28Å; K538-A542 WeakPolarHBondContact O-CB 3.4Å; K538-A542 PolarHBondContact O-N 2.86Å; K538-A542 VanDerWaalsContact O-N 3.14Å
539	D	85.7	Confident	87	Confident	70 Å²	70	35.7 Å²	35.7	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-73.1	-36.7	-175.5	-70.4	8.2	0	0	0	111.6	V517 Y522 R535 L536 A537	V517-D539 HydrophobicContact CG2-CB 4.43Å; Y522-D539 HydrophobicContact CE1-CB 4.32Å; Y522-D539 WeakPolarHBondContact CE1-OD2 3.33Å; Y522-D539 WeakPolarHBondContact OH-CB 3.34Å; Y522-D539 PolarHBondContact OH-OD2 3.41Å; R535-D539 PolarHBondContact O-N 2.89Å; L536-D539 PolarHBondContact O-N 3.36Å; A537-D539 PolarHBondContact O-N 3.21Å
540	V	86.4	Confident	87.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-38.7	179.3	162.1	0	0	0	0	113.2	V360 I480 V482 V517 L536 A537	V360-V540 HydrophobicContact CG1-CG1 4.38Å; V360-V540 HydrophobicContact CG2-CB 4.49Å; V360-V540 HydrophobicContact CG2-CG1 3.83Å; I480-V540 HydrophobicContact CB-CG1 4.23Å; I480-V540 HydrophobicContact CD1-CG1 3.71Å; I480-V540 HydrophobicContact CG1-CG1 3.99Å; I480-V540 HydrophobicContact CG2-CB 4.42Å; I480-V540 HydrophobicContact CG2-CG1 3.26Å; I480-V540 HydrophobicContact CG2-CG2 4.39Å; V482-V540 HydrophobicContact CG2-CG2 4.06Å; V517-V540 HydrophobicContact CB-CG2 3.69Å; V517-V540 HydrophobicContact CG1-CG2 4.18Å; V517-V540 HydrophobicContact CG2-CB 4.45Å; V517-V540 HydrophobicContact CG2-CG2 3.54Å; L536-V540 HydrophobicContact CD1-CG2 3.67Å; L536-V540 HydrophobicContact CG-CG2 4.15Å; L536-V540 VanDerWaalsContact O-CB 3.26Å; L536-V540 WeakPolarHBondContact O-CB 3.12Å; L536-V540 VanDerWaalsContact O-CG2 3.23Å; L536-V540 WeakPolarHBondContact O-CG2 3.24Å; L536-V540 PolarHBondContact O-N 2.95Å; A537-V540 PolarHBondContact O-N 3.02Å
541	L	89.1	Confident	88.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-97.8	-13.1	-171.6	-67.1	175.8	0	0	0	113.5	F100 E101 V360 I363 V364 I480 A537 E543 I544 P545	F100-L541 HydrophobicContact CD1-CB 4.13Å; F100-L541 WeakPolarHBondContact CD1-O 3.41Å; F100-L541 HydrophobicContact CE1-CB 3.89Å; F100-L541 HydrophobicContact CE1-CD2 4.19Å; F100-L541 HydrophobicContact CE1-CG 4.49Å; E101-L541 HydrophobicContact CB-CB 3.69Å; V360-L541 HydrophobicContact CG1-CD2 4.06Å; I363-L541 HydrophobicContact CB-CD1 3.78Å; I363-L541 HydrophobicContact CD1-CD1 3.99Å; I363-L541 HydrophobicContact CG2-CD1 3.58Å; V364-L541 HydrophobicContact CG2-CD1 4.08Å; V364-L541 HydrophobicContact CG2-CD2 3.53Å; V364-L541 HydrophobicContact CG2-CG 4.48Å; I480-L541 HydrophobicContact CD1-CD2 3.87Å; A537-L541 HydrophobicContact CB-CD1 4.48Å; A537-L541 VanDerWaalsContact O-CB 3.25Å; A537-L541 WeakPolarHBondContact O-CB 3.27Å; A537-L541 WeakPolarHBondContact O-CG 3.32Å; A537-L541 PolarHBondContact O-N 3.23Å; L541-E543 PolarHBondContact O-N 3.37Å; L541-E543 VanDerWaalsContact O-N 3.14Å; L541-I544 HydrophobicContact CD2-CG1 4.24Å; L541-I544 PolarHBondContact O-N 2.94Å; L541-P545 WeakPolarHBondContact O-CD 3.3Å
542	A	82.5	Confident	89	Confident	53 Å²	53	28.4 Å²	28.4	44%	0.438	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.4	-177.1	0	0	0	0	0	113.5	K538	K538-A542 VanDerWaalsContact O-CB 3.28Å; K538-A542 WeakPolarHBondContact O-CB 3.4Å; K538-A542 PolarHBondContact O-N 2.86Å; K538-A542 VanDerWaalsContact O-N 3.14Å
543	E	86.9	Confident	89.3	Confident	56 Å²	56	35.3 Å²	35.3	26%	0.262	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-21.4	-175.4	-64.8	-142	157.7	0	0	115	Q515 L541 E546 Q547	Q515-E543 PolarHBondContact OE1-OE1 3.21Å; Q515-E543 PolarHBondContact OE1-OE2 2.83Å; L541-E543 PolarHBondContact O-N 3.37Å; L541-E543 VanDerWaalsContact O-N 3.14Å; E543-E546 PolarHBondContact O-N 3.14Å; E543-Q547 HydrophobicContact CB-CG 4.3Å; E543-Q547 WeakPolarHBondContact O-CG 3.33Å; E543-Q547 PolarHBondContact O-N 2.91Å; E543-Q547 PolarHBondContact OE2-NE2 2.9Å
544	I	91.6	Very high	89.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-44.6	-171.7	-61.7	-63	0	0	0	112.1	F100 V450 I480 L541 E546 Q547 F548	F100-I544 HydrophobicContact CE1-CB 3.81Å; F100-I544 HydrophobicContact CE1-CG1 4.43Å; F100-I544 HydrophobicContact CE1-CG2 4.06Å; F100-I544 HydrophobicContact CZ-CB 4.34Å; F100-I544 HydrophobicContact CZ-CG2 4.07Å; V450-I544 HydrophobicContact CG1-CD1 4.33Å; V450-I544 HydrophobicContact CG2-CG2 4.2Å; I480-I544 HydrophobicContact CD1-CD1 4.02Å; I480-I544 HydrophobicContact CD1-CG1 4.27Å; I480-I544 HydrophobicContact CG1-CD1 4.1Å; L541-I544 HydrophobicContact CD2-CG1 4.24Å; L541-I544 PolarHBondContact O-N 2.94Å; I544-E546 VanDerWaalsContact C-N 3.34Å; I544-E546 PolarHBondContact O-N 2.98Å; I544-Q547 PolarHBondContact O-N 2.83Å; I544-F548 WeakPolarHBondContact O-CB 3.29Å; I544-F548 PolarHBondContact O-N 3.04Å
545	P	90.9	Very high	89.9	Confident	23 Å²	23	41.8 Å²	41.8	15%	0.149	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-41.3	175.9	-26.8	37.1	0	0	0	113.7	F100 F311 L541 F548 L549	F100-P545 HydrophobicContact CB-CG 3.92Å; F100-P545 HydrophobicContact CD1-CG 3.64Å; F100-P545 HydrophobicContact CD2-CG 4.46Å; F100-P545 HydrophobicContact CE1-CG 4.3Å; F100-P545 HydrophobicContact CG-CG 3.73Å; F311-P545 HydrophobicContact CB-CB 4.07Å; F311-P545 HydrophobicContact CD2-CB 4.23Å; F311-P545 HydrophobicContact CG-CB 4.04Å; L541-P545 WeakPolarHBondContact O-CD 3.3Å; P545-F548 WeakPolarHBondContact O-CB 3.45Å; P545-L549 WeakPolarHBondContact O-CB 3.48Å; P545-L549 VanDerWaalsContact O-CG 3.23Å; P545-L549 WeakPolarHBondContact O-CG 3.02Å; P545-L549 PolarHBondContact O-N 3.04Å
546	E	88.8	Confident	90.2	Very high	104 Å²	104	39.8 Å²	39.8	49%	0.486	22%	0.22	S	C	.	.	H	α-helix	trans	-74.8	-40.1	-179.4	-178	57.4	-159.4	0	0	111.6	E543 I544 F548 L549 S550 R553	E543-E546 PolarHBondContact O-N 3.14Å; I544-E546 VanDerWaalsContact C-N 3.34Å; I544-E546 PolarHBondContact O-N 2.98Å; E546-F548 VanDerWaalsContact C-N 3.27Å; E546-F548 PolarHBondContact O-N 3.29Å; E546-L549 PolarHBondContact O-N 2.83Å; E546-S550 WeakPolarHBondContact O-CB 3.27Å; E546-S550 PolarHBondContact O-N 2.85Å; E546-R553 IonicContact OE1-CZ 2.74Å; E546-R553 IonicContact OE1-NH2 3.91Å; E546-R553 PolarHBondContact OE1-NH2 2.79Å; E546-R553 IonicContact OE2-NH2 3.66Å
547	Q	93.6	Very high	90.4	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-39	173.5	-67	-179.6	5.6	0	0	111.3	Y448 S478 R511 E543 I544 Y551	Y448-Q547 PolarHBondContact OH-O 3.2Å; S478-Q547 VanDerWaalsContact CB-OE1 3.23Å; S478-Q547 PolarHBondContact OG-OE1 3.39Å; R511-Q547 PolarHBondContact NH1-O 3.07Å; E543-Q547 HydrophobicContact CB-CG 4.3Å; E543-Q547 WeakPolarHBondContact O-CG 3.33Å; E543-Q547 PolarHBondContact O-N 2.91Å; E543-Q547 PolarHBondContact OE2-NE2 2.9Å; I544-Q547 PolarHBondContact O-N 2.83Å; Q547-Y551 PolarHBondContact O-N 2.93Å
548	F	94.8	Very high	90.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-53.6	172.1	174.4	-80.9	0	0	0	111.8	F311 Y314 T319 I321 Y448 I544 P545 E546 S550 Y551 M552	F311-F548 HydrophobicContact CD2-CB 4.27Å; F311-F548 AromaticContact CD2-CD1 3.68Å; F311-F548 HydrophobicContact CD2-CD1 3.68Å; F311-F548 HydrophobicContact CD2-CD2 4.47Å; F311-F548 HydrophobicContact CD2-CE1 4.12Å; F311-F548 AromaticContact CD2-CG 3.9Å; F311-F548 HydrophobicContact CD2-CG 3.9Å; F311-F548 HydrophobicContact CE2-CB 4.36Å; F311-F548 HydrophobicContact CE2-CD1 4.18Å; F311-F548 HydrophobicContact CE2-CD2 4.16Å; F311-F548 AromaticContact CE2-CG 3.99Å; F311-F548 HydrophobicContact CE2-CG 3.99Å; Y314-F548 HydrophobicContact CD1-CE1 4.11Å; Y314-F548 HydrophobicContact CD1-CZ 4.03Å; Y314-F548 AromaticContact CD2-CE1 3.53Å; Y314-F548 HydrophobicContact CD2-CE1 3.53Å; Y314-F548 HydrophobicContact CD2-CZ 4.18Å; Y314-F548 HydrophobicContact CE2-CE1 4.13Å; Y314-F548 AromaticContact CG-CE1 3.5Å; Y314-F548 HydrophobicContact CG-CE1 3.5Å; Y314-F548 AromaticContact CG-CZ 3.66Å; Y314-F548 HydrophobicContact CG-CZ 3.66Å; T319-F548 HydrophobicContact CG2-CE2 3.72Å; T319-F548 HydrophobicContact CG2-CZ 3.79Å; I321-F548 HydrophobicContact CD1-CD2 4.01Å; I321-F548 HydrophobicContact CD1-CE2 3.95Å; Y448-F548 HydrophobicContact CD1-CD2 4.01Å; Y448-F548 AromaticContact CD2-CD2 3.51Å; Y448-F548 HydrophobicContact CD2-CD2 3.51Å; Y448-F548 HydrophobicContact CD2-CE2 4.07Å; Y448-F548 HydrophobicContact CD2-CG 4.34Å; Y448-F548 HydrophobicContact CE1-CB 4.43Å; Y448-F548 HydrophobicContact CE1-CD2 4.48Å; Y448-F548 HydrophobicContact CE2-CB 4.24Å; Y448-F548 HydrophobicContact CE2-CD2 4.03Å; Y448-F548 HydrophobicContact CE2-CG 4.45Å; Y448-F548 AromaticContact CG-CD2 3.49Å; Y448-F548 HydrophobicContact CG-CD2 3.49Å; Y448-F548 VanDerWaalsContact CG-CD2 3.49Å; Y448-F548 HydrophobicContact CG-CE2 4.03Å; Y448-F548 PolarHBondContact OH-N 3.47Å; I544-F548 WeakPolarHBondContact O-CB 3.29Å; I544-F548 PolarHBondContact O-N 3.04Å; P545-F548 WeakPolarHBondContact O-CB 3.45Å; E546-F548 VanDerWaalsContact C-N 3.27Å; E546-F548 PolarHBondContact O-N 3.29Å; F548-S550 VanDerWaalsContact C-N 3.27Å; F548-S550 PolarHBondContact O-N 2.91Å; F548-Y551 WeakPolarHBondContact O-CB 3.34Å; F548-Y551 PolarHBondContact O-N 3.29Å; F548-Y551 VanDerWaalsContact O-N 3.14Å; F548-M552 HydrophobicContact CD1-CG 4.11Å; F548-M552 HydrophobicContact CD2-CE 4.26Å; F548-M552 HydrophobicContact CE1-CE 3.97Å; F548-M552 HydrophobicContact CE1-CG 3.66Å; F548-M552 HydrophobicContact CE2-CE 3.41Å; F548-M552 VanDerWaalsContact CE2-CE 3.41Å; F548-M552 HydrophobicContact CZ-CE 3.22Å; F548-M552 HydrophobicContact CZ-CG 3.94Å; F548-M552 HydrophobicContact CZ-SD 4.44Å; F548-M552 WeakPolarHBondContact O-CG 3.47Å; F548-M552 PolarHBondContact O-N 3.45Å
549	L	92	Very high	90.7	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.131	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-33.6	-178.3	-72.9	172.9	0	0	0	112	F311 Y314 P545 E546 M552 R553	F311-L549 HydrophobicContact CB-CD1 4.5Å; Y314-L549 HydrophobicContact CD2-CD2 4.14Å; Y314-L549 HydrophobicContact CE2-CD2 3.81Å; P545-L549 WeakPolarHBondContact O-CB 3.48Å; P545-L549 VanDerWaalsContact O-CG 3.23Å; P545-L549 WeakPolarHBondContact O-CG 3.02Å; P545-L549 PolarHBondContact O-N 3.04Å; E546-L549 PolarHBondContact O-N 2.83Å; L549-M552 PolarHBondContact O-N 3.5Å; L549-R553 VanDerWaalsContact O-CB 3.29Å; L549-R553 WeakPolarHBondContact O-CB 3.35Å; L549-R553 VanDerWaalsContact O-CG 3.28Å; L549-R553 WeakPolarHBondContact O-CG 3.43Å; L549-R553 PolarHBondContact O-N 2.68Å; L549-R553 PolarHBondContact O-NE 3.17Å
550	S	91.6	Very high	90.7	Very high	37 Å²	37	48.6 Å²	48.6	26%	0.259	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-45.5	173	-178.1	0	0	0	0	111.3	R511 E546 F548 A554	R511-S550 WeakPolarHBondContact CD-OG 3.26Å; E546-S550 WeakPolarHBondContact O-CB 3.27Å; E546-S550 PolarHBondContact O-N 2.85Å; F548-S550 VanDerWaalsContact C-N 3.27Å; F548-S550 PolarHBondContact O-N 2.91Å; S550-A554 VanDerWaalsContact O-CB 3.25Å; S550-A554 WeakPolarHBondContact O-CB 3.19Å; S550-A554 PolarHBondContact O-N 3.38Å
551	Y	95.7	Very high	90.2	Very high	8 Å²	8	54.2 Å²	54.2	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-51.4	173.8	173.3	-97.2	0	0	0	112.2	Y448 L475 P476 Q547 F548 R553 A554 R555 I557	Y448-Y551 HydrophobicContact CD2-CD1 4.39Å; Y448-Y551 HydrophobicContact CE2-CD1 4.28Å; Y448-Y551 HydrophobicContact CE2-CG 4.22Å; L475-Y551 VanDerWaalsContact C-CE2 3.45Å; L475-Y551 WeakPolarHBondContact O-CD2 3.49Å; P476-Y551 HydrophobicContact CB-CD1 4Å; P476-Y551 HydrophobicContact CB-CD2 4.49Å; P476-Y551 HydrophobicContact CB-CE1 3.54Å; P476-Y551 HydrophobicContact CB-CE2 4.06Å; P476-Y551 HydrophobicContact CB-CG 4.46Å; P476-Y551 HydrophobicContact CG-CE1 4.44Å; Q547-Y551 PolarHBondContact O-N 2.93Å; F548-Y551 WeakPolarHBondContact O-CB 3.34Å; F548-Y551 PolarHBondContact O-N 3.29Å; F548-Y551 VanDerWaalsContact O-N 3.14Å; Y551-R553 PolarHBondContact O-N 2.89Å; Y551-A554 PolarHBondContact O-N 2.89Å; Y551-R555 HydrophobicContact CD2-CG 4.44Å; Y551-R555 HydrophobicContact CE2-CG 4Å; Y551-R555 PolarHBondContact O-N 3.25Å; Y551-I557 HydrophobicContact CE1-CD1 3.74Å
552	M	94.9	Very high	89	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-44.6	-176.1	-64.4	-56.8	-175.2	0	0	111.6	Y314 T319 G445 F548 L549 R555 G556 I557	Y314-M552 HydrophobicContact CD1-CE 4.28Å; Y314-M552 HydrophobicContact CD1-CG 4.21Å; Y314-M552 HydrophobicContact CD1-SD 4.42Å; Y314-M552 HydrophobicContact CE1-CB 4.01Å; Y314-M552 HydrophobicContact CE1-CE 4.5Å; Y314-M552 HydrophobicContact CE1-CG 3.74Å; Y314-M552 HydrophobicContact CE1-SD 4.06Å; Y314-M552 HydrophobicContact CE2-CB 4.28Å; Y314-M552 HydrophobicContact CE2-CG 4.29Å; Y314-M552 WeakPolarHBondContact OH-CB 3.39Å; T319-M552 HydrophobicContact CG2-CE 4.19Å; G445-M552 WeakPolarHBondContact O-CE 3.36Å; F548-M552 HydrophobicContact CD1-CG 4.11Å; F548-M552 HydrophobicContact CD2-CE 4.26Å; F548-M552 HydrophobicContact CE1-CE 3.97Å; F548-M552 HydrophobicContact CE1-CG 3.66Å; F548-M552 HydrophobicContact CE2-CE 3.41Å; F548-M552 VanDerWaalsContact CE2-CE 3.41Å; F548-M552 HydrophobicContact CZ-CE 3.22Å; F548-M552 HydrophobicContact CZ-CG 3.94Å; F548-M552 HydrophobicContact CZ-SD 4.44Å; F548-M552 WeakPolarHBondContact O-CG 3.47Å; F548-M552 PolarHBondContact O-N 3.45Å; L549-M552 PolarHBondContact O-N 3.5Å; M552-R555 CarbonylContact O-C 3.57Å; M552-R555 PolarHBondContact O-N 2.78Å; M552-G556 PolarHBondContact O-N 3.37Å; M552-I557 HydrophobicContact CB-CB 4.37Å; M552-I557 PolarHBondContact O-N 2.96Å; M552-I557 HydrophobicContact SD-CB 3.89Å; M552-I557 HydrophobicContact SD-CD1 3.75Å; M552-I557 HydrophobicContact SD-CG1 4.43Å; M552-I557 HydrophobicContact SD-CG2 3.73Å
553	R	90.1	Very high	88.1	Confident	148 Å²	148	56.6 Å²	56.6	56%	0.558	32%	0.321	S	S	*	.	H	α-helix	trans	-62.5	-46.8	176.5	-75.9	-177.4	-67.3	171	-3.9	112.2	E546 L549 Y551 R555 G556	E546-R553 IonicContact OE1-CZ 2.74Å; E546-R553 IonicContact OE1-NH2 3.91Å; E546-R553 PolarHBondContact OE1-NH2 2.79Å; E546-R553 IonicContact OE2-NH2 3.66Å; L549-R553 VanDerWaalsContact O-CB 3.29Å; L549-R553 WeakPolarHBondContact O-CB 3.35Å; L549-R553 VanDerWaalsContact O-CG 3.28Å; L549-R553 WeakPolarHBondContact O-CG 3.43Å; L549-R553 PolarHBondContact O-N 2.68Å; L549-R553 PolarHBondContact O-NE 3.17Å; Y551-R553 PolarHBondContact O-N 2.89Å; R553-R555 VanDerWaalsContact O-N 3.13Å; R553-R555 PolarHBondContact O-N 3.28Å; R553-G556 PolarHBondContact O-N 3.09Å
554	A	90.8	Very high	86.6	Confident	73 Å²	73	59.5 Å²	59.5	60%	0.603	35%	0.345	S	S	*	.	H	α-helix	trans	-61.2	-23.7	-179.9	0	0	0	0	0	113.1	S550 Y551	S550-A554 VanDerWaalsContact O-CB 3.25Å; S550-A554 WeakPolarHBondContact O-CB 3.19Å; S550-A554 PolarHBondContact O-N 3.38Å; Y551-A554 PolarHBondContact O-N 2.89Å
555	R	93.8	Very high	84.9	Confident	122 Å²	122	65.3 Å²	65.3	46%	0.46	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.2	177.1	-63	-61.5	-175.9	-153.4	-10.3	114.1	K474 E510 Y551 M552 R553 I557	K474-R555 PolarHBondContact O-NH2 2.67Å; E510-R555 IonicContact OE2-NH2 2.79Å; E510-R555 PolarHBondContact OE2-NH2 2.84Å; Y551-R555 HydrophobicContact CD2-CG 4.44Å; Y551-R555 HydrophobicContact CE2-CG 4Å; Y551-R555 PolarHBondContact O-N 3.25Å; M552-R555 CarbonylContact O-C 3.57Å; M552-R555 PolarHBondContact O-N 2.78Å; R553-R555 VanDerWaalsContact O-N 3.13Å; R553-R555 PolarHBondContact O-N 3.28Å; R555-I557 HydrophobicContact CB-CD1 3.66Å; R555-I557 HydrophobicContact CB-CG1 3.73Å; R555-I557 HydrophobicContact CG-CD1 4.36Å; R555-I557 PolarHBondContact O-N 3.09Å
556	G	91.6	Very high	83	Confident	61 Å²	61	71.1 Å²	71.1	63%	0.629	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	23.7	-175.8	0	0	0	0	0	113.3	M552 R553	M552-G556 PolarHBondContact O-N 3.37Å; R553-G556 PolarHBondContact O-N 3.09Å
557	I	93.7	Very high	80.8	Confident	23 Å²	23	72 Å²	72	12%	0.118	41%	0.414	C	S	.	.			trans	-73	140.8	176.9	-61.4	167.3	0	0	0	107.5	Y314 D444 Y551 M552 R555	Y314-I557 HydrophobicContact CE1-CG2 4.17Å; Y314-I557 PolarHBondContact OH-O 3.04Å; D444-I557 WeakPolarHBondContact O-CG2 3.42Å; Y551-I557 HydrophobicContact CE1-CD1 3.74Å; M552-I557 HydrophobicContact CB-CB 4.37Å; M552-I557 PolarHBondContact O-N 2.96Å; M552-I557 HydrophobicContact SD-CB 3.89Å; M552-I557 HydrophobicContact SD-CD1 3.75Å; M552-I557 HydrophobicContact SD-CG1 4.43Å; M552-I557 HydrophobicContact SD-CG2 3.73Å; R555-I557 HydrophobicContact CB-CD1 3.66Å; R555-I557 HydrophobicContact CB-CG1 3.73Å; R555-I557 HydrophobicContact CG-CD1 4.36Å; R555-I557 PolarHBondContact O-N 3.09Å
558	K	91.1	Very high	78.5	Confident	171 Å²	171	75.4 Å²	75.4	74%	0.743	44%	0.438	S	S	*	.			trans	-118.4	152.2	176.9	-69.9	-171.3	178.9	-173.3	0	109.2
559	P	88.4	Confident	75.7	Confident	38 Å²	38	79.9 Å²	79.9	25%	0.247	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-65	140.2	177.8	29.6	-35	0	0	0	109	V309 D313 Y314	V309-P559 HydrophobicContact CG1-CB 4.32Å; V309-P559 HydrophobicContact CG1-CG 3.62Å; V309-P559 HydrophobicContact CG2-CG 4.4Å; D313-P559 HydrophobicContact CB-CB 4.11Å; D313-P559 HydrophobicContact CB-CG 4.14Å; Y314-P559 HydrophobicContact CD1-CB 4.06Å; Y314-P559 HydrophobicContact CD2-CB 4.48Å; Y314-P559 HydrophobicContact CE1-CB 4.23Å; Y314-P559 HydrophobicContact CG-CB 4.17Å
560	S	86.1	Confident	73.1	Confident	71 Å²	71	84.7 Å²	84.7	50%	0.497	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-63.4	149.8	172	-70.4	0	0	0	0	110.4	G317 A562	G317-S560 WeakPolarHBondContact CA-O 3.44Å; G317-S560 WeakPolarHBondContact O-CB 3.09Å; S560-A562 PolarHBondContact O-N 3Å
561	P	76.8	Confident	70.5	Confident	117 Å²	117	91.6 Å²	91.6	76%	0.76	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-55.7	141.5	172.8	-19.6	30.5	0	0	0	110.3
562	A	63.7	Low	67.4	Low	51 Å²	51	96.9 Å²	96.9	42%	0.421	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-56.1	144.8	171.6	0	0	0	0	0	109.7	K316 S560	K316-A562 HydrophobicContact CG-CB 4.28Å; S560-A562 PolarHBondContact O-N 3Å
563	P	63.3	Low	64.6	Low	53 Å²	53	104.2 Å²	104.2	34%	0.344	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-51.5	144.9	171.8	-20.6	29	0	0	0	110.2	Q140	Q140-P563 HydrophobicContact CG-CG 3.95Å
564	P	55.8	Low	61.9	Low	117 Å²	117	105.4 Å²	105.4	76%	0.76	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-55.9	143.1	177.5	22.6	-31.7	0	0	0	110.2	Y566	P564-Y566 PolarHBondContact O-N 3.31Å
565	P	56	Low	59.3	Low	122 Å²	122	107.5 Å²	107.5	79%	0.792	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-56.3	133.8	-179.7	20	-29.5	0	0	0	110.1	T567	P565-T567 PolarHBondContact O-N 3.29Å; P565-T567 VanDerWaalsContact O-N 3.08Å
566	Y	51.1	Low	56.5	Low	146 Å²	146	110.6 Å²	110.6	57%	0.573	63%	0.633	S	S	*	*			trans	-58.7	113.4	179.1	176.6	-98	0	0	0	110.2	P564 P568 P569	P564-Y566 PolarHBondContact O-N 3.31Å; Y566-P568 WeakPolarHBondContact O-CD 3.37Å; Y566-P568 HydrophobicContact CE1-CB 3.88Å; Y566-P568 VanDerWaalsContact CE1-CA 3.46Å; Y566-P569 VanDerWaalsContact OH-CD 3.25Å; Y566-P569 WeakPolarHBondContact OH-CD 3.25Å
567	T	41.4	Very low	53.9	Low	121 Å²	121	118.8 Å²	118.8	74%	0.742	66%	0.66	S	S	*	*			trans	-83.8	113	165.5	17.6	0	0	0	0	108.3	P565	P565-T567 PolarHBondContact O-N 3.29Å; P565-T567 VanDerWaalsContact O-N 3.08Å
568	P	45.6	Very low	51.9	Low	80 Å²	80	123.6 Å²	123.6	52%	0.519	69%	0.687	S	S	.	*			trans	-59	140	174.2	23.2	-31.4	0	0	0	109.6	Y566 T570	Y566-P568 WeakPolarHBondContact O-CD 3.37Å; Y566-P568 HydrophobicContact CE1-CB 3.88Å; Y566-P568 VanDerWaalsContact CE1-CA 3.46Å; P568-T570 PolarHBondContact O-N 3.35Å
569	P	37.2	Very low	49.9	Very low	94 Å²	94	121.1 Å²	121.1	61%	0.61	68%	0.684	S	S	*	*			trans	-59.7	116.5	174.6	21.7	-28.8	0	0	0	108.7	Y566 H571	Y566-P569 VanDerWaalsContact OH-CD 3.25Å; Y566-P569 WeakPolarHBondContact OH-CD 3.25Å; P569-H571 PolarHBondContact O-N 3.34Å
570	T	35.4	Very low	47.7	Very low	126 Å²	126	125.7 Å²	125.7	77%	0.773	71%	0.708	S	S	*	*			trans	-61.4	107.2	170.3	37.6	0	0	0	0	108.2	P568 V572	P568-T570 PolarHBondContact O-N 3.35Å; T570-V572 VanDerWaalsContact C-N 3.31Å; T570-V572 PolarHBondContact O-N 3.07Å
571	H	37.7	Very low	45.5	Very low	182 Å²	182	128.9 Å²	128.9	84%	0.843	72%	0.721	S	S	*	*			trans	-63.7	97.5	163.4	-94.6	-81.9	0	0	0	107.7	P569 L573	P569-H571 PolarHBondContact O-N 3.34Å; H571-L573 PolarHBondContact O-N 2.91Å
572	V	32	Very low	43.5	Very low	119 Å²	119	129.6 Å²	129.6	72%	0.721	72%	0.719	S	S	*	*			trans	-67.8	105.8	165.9	-166.1	0	0	0	0	105.6	T570 Q574	T570-V572 VanDerWaalsContact C-N 3.31Å; T570-V572 PolarHBondContact O-N 3.07Å; V572-Q574 VanDerWaalsContact C-N 3.26Å; V572-Q574 PolarHBondContact O-N 2.86Å
573	L	36	Very low	42.2	Very low	154 Å²	154	134.9 Å²	134.9	81%	0.806	74%	0.738	S	S	*	*			trans	-59.6	95.9	164.9	-93.2	151.5	0	0	0	106.9	H571 T575	H571-L573 PolarHBondContact O-N 2.91Å; L573-T575 PolarHBondContact O-N 2.9Å
574	Q	32.1	Very low	40.7	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.804	77%	0.767	S	S	*	*			trans	-66.8	89.1	158.8	-86.4	-177.8	-18.1	0	0	106.8	V572 Q576	V572-Q574 VanDerWaalsContact C-N 3.26Å; V572-Q574 PolarHBondContact O-N 2.86Å; Q574-Q576 VanDerWaalsContact C-N 3.35Å; Q574-Q576 PolarHBondContact O-N 3Å
575	T	35.9	Very low	39.5	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.724	77%	0.767	S	S	*	*			trans	-56.9	103.1	156	38.3	0	0	0	0	107.3	L573 I577	L573-T575 PolarHBondContact O-N 2.9Å; T575-I577 PolarHBondContact O-N 3.33Å
576	Q	36.7	Very low	38.1	Very low	187 Å²	187	144.3 Å²	144.3	87%	0.874	77%	0.765	S	S	*	*			trans	-66.9	117.5	160.9	-71	-175.9	-9	0	0	106.8	Q574	Q574-Q576 VanDerWaalsContact C-N 3.35Å; Q574-Q576 PolarHBondContact O-N 3Å
577	I	36.7	Very low	37	Very low	232 Å²	232	144.1 Å²	144.1	100%	1.19	78%	0.782	S	S	*	*			trans	-89.3	0	159.3	-64	177.3	0	0	0	106.9	T575	T575-I577 PolarHBondContact O-N 3.33Å

Retrieved 577 of 577 residues in 285.7 ms (Link to these results)

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