A0A077Z9R0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9R0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 496 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	34.8	Very low	29.4	Very low	249 Å²	249	163.1 Å²	163.1	100%	1.227	88%	0.883	S	S	*	*				0	89.2	0	-128	172.2	175.8	0	0	105.8
2	E	29	Very low	29.5	Very low	186 Å²	186	157.6 Å²	157.6	87%	0.869	87%	0.866	S	S	*	*			trans	-76.1	135	-177.2	-71.9	170.4	138.8	0	0	109.8
3	M	28.7	Very low	29.3	Very low	196 Å²	196	151.5 Å²	151.5	97%	0.966	84%	0.841	S	S	*	*			trans	-117.7	99.6	160.4	-84.7	-167.9	-122	0	0	107.8
4	T	28.5	Very low	29.4	Very low	137 Å²	137	148.5 Å²	148.5	84%	0.84	82%	0.822	S	S	*	*			trans	-84.7	128.1	163	26.9	0	0	0	0	108.9
5	S	30.9	Very low	29.4	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	80%	0.8	S	S	*	*			trans	-110.5	112.2	169.1	162.7	0	0	0	0	108.1
6	T	28.7	Very low	29.4	Very low	130 Å²	130	138.9 Å²	138.9	80%	0.798	78%	0.778	S	S	*	*			trans	-78.7	130.3	171.8	33.7	0	0	0	0	111.3
7	N	29.5	Very low	29.5	Very low	163 Å²	163	138.4 Å²	138.4	87%	0.872	77%	0.768	S	S	*	*			trans	-140.6	97.7	155.7	-96.3	-18.7	0	0	0	108.4
8	Q	26.8	Very low	29.4	Very low	185 Å²	185	141.1 Å²	141.1	86%	0.864	77%	0.765	S	S	*	*			trans	-138.6	115.5	161.8	-80.8	-164.1	-4.8	0	0	107.3
9	L	27.6	Very low	29.4	Very low	186 Å²	186	136.1 Å²	136.1	97%	0.974	74%	0.739	S	S	*	*			trans	177	107.6	157.2	-99	142.9	0	0	0	108
10	G	28.8	Very low	29.4	Very low	60 Å²	60	135.6 Å²	135.6	62%	0.619	73%	0.731	S	S	*	*	S	Bend	trans	175.4	-22.6	173.1	0	0	0	0	0	118.8
11	E	30.5	Very low	29.4	Very low	186 Å²	186	133.6 Å²	133.6	87%	0.869	72%	0.724	S	S	*	*	S	Bend	trans	-104.1	-4.6	-168.5	-73	-175.5	152.8	0	0	116.2
12	S	30.1	Very low	29.3	Very low	97 Å²	97	124 Å²	124	68%	0.678	68%	0.682	S	S	*	*	S	Bend	trans	-90.7	-3.9	-173.1	72.9	0	0	0	0	116.1	T16	S12-T16 PolarHBondContact O-OG1 3.23Å
13	S	26.9	Very low	29.6	Very low	78 Å²	78	116.4 Å²	116.4	55%	0.545	65%	0.65	S	S	.	*	S	Bend	trans	-95	-28.8	-178.7	56	0	0	0	0	113.9
14	L	31.3	Very low	30.4	Very low	110 Å²	110	112.3 Å²	112.3	58%	0.576	63%	0.632	S	S	*	*	H	α-helix	trans	-83	-20.9	-176.6	-87.9	147.9	0	0	0	114.2
15	S	28.5	Very low	31.1	Very low	70 Å²	70	111.5 Å²	111.5	49%	0.49	61%	0.614	S	S	.	*	H	α-helix	trans	-74.1	-42.6	172.6	57.4	0	0	0	0	110.9	E17 R18 T19	S15-E17 PolarHBondContact O-N 3.16Å; S15-R18 PolarHBondContact O-N 2.79Å; S15-T19 PolarHBondContact O-N 3.11Å; S15-T19 PolarHBondContact O-OG1 3.4Å
16	T	29.2	Very low	32	Very low	74 Å²	74	106.2 Å²	106.2	45%	0.454	58%	0.577	S	S	.	*	H	α-helix	trans	-63.6	-40.4	-175.9	-38.9	0	0	0	0	112.8	S12 R18 T19 Q20	S12-T16 PolarHBondContact O-OG1 3.23Å; T16-R18 PolarHBondContact O-N 3.11Å; T16-T19 WeakPolarHBondContact CA-OG1 3.28Å; T16-T19 PolarHBondContact O-OG1 2.96Å; T16-Q20 PolarHBondContact O-N 2.71Å
17	E	30.8	Very low	33.1	Very low	129 Å²	129	103.6 Å²	103.6	60%	0.603	56%	0.558	S	S	*	*	H	α-helix	trans	-65.2	-34.6	176.2	-101.9	-176.2	162.6	0	0	113.2	S15 T21	S15-E17 PolarHBondContact O-N 3.16Å; E17-T21 PolarHBondContact O-OG1 3.3Å; E17-T21 VanDerWaalsContact O-OG1 3.06Å
18	R	28.7	Very low	34.1	Very low	188 Å²	188	99.8 Å²	99.8	71%	0.709	54%	0.535	S	S	*	.	H	α-helix	trans	-76.1	-32.7	-178.2	-79.7	-178	175.6	175.4	3.4	113.4	S15 T16	S15-R18 PolarHBondContact O-N 2.79Å; T16-R18 PolarHBondContact O-N 3.11Å
19	T	28.9	Very low	35.2	Very low	46 Å²	46	92 Å²	92	28%	0.282	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-38.6	171.8	14.4	0	0	0	0	112.2	S15 T16 T21 A23 H142	S15-T19 PolarHBondContact O-N 3.11Å; S15-T19 PolarHBondContact O-OG1 3.4Å; T16-T19 WeakPolarHBondContact CA-OG1 3.28Å; T16-T19 PolarHBondContact O-OG1 2.96Å; T19-T21 PolarHBondContact O-N 3.28Å; T19-A23 PolarHBondContact O-N 2.77Å; T19-H142 WeakPolarHBondContact CG2-ND1 3.14Å
20	Q	29.6	Very low	36.4	Very low	125 Å²	125	84.1 Å²	84.1	58%	0.584	46%	0.458	S	S	*	.	H	α-helix	trans	-65.4	-36.8	-179.6	-80.1	-179.8	-17.8	0	0	113.2	T16 S22 L24	T16-Q20 PolarHBondContact O-N 2.71Å; Q20-S22 PolarHBondContact O-N 3.29Å; Q20-L24 VanDerWaalsContact O-CG 3.31Å; Q20-L24 WeakPolarHBondContact O-CG 3.26Å; Q20-L24 PolarHBondContact O-N 3.47Å
21	T	30.2	Very low	37.6	Very low	95 Å²	95	87.9 Å²	87.9	58%	0.583	46%	0.459	S	S	*	.	H	α-helix	trans	-71.8	-30.5	-174.4	-16.9	0	0	0	0	113.7	E17 T19	E17-T21 PolarHBondContact O-OG1 3.3Å; E17-T21 VanDerWaalsContact O-OG1 3.06Å; T19-T21 PolarHBondContact O-N 3.28Å
22	S	32	Very low	38.4	Very low	48 Å²	48	82.9 Å²	82.9	34%	0.336	44%	0.436	S	S	.	.	H	α-helix	trans	-85.4	-35.1	-178.3	-47	0	0	0	0	111.4	Q20 L24 Y25 L26	Q20-S22 PolarHBondContact O-N 3.29Å; S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.45Å; S22-Y25 PolarHBondContact O-N 3.21Å; S22-Y25 VanDerWaalsContact O-N 3.14Å; S22-L26 PolarHBondContact O-N 2.76Å
23	A	35.2	Very low	39	Very low	25 Å²	25	79.5 Å²	79.5	21%	0.207	41%	0.412	C	S	.	.	H	α-helix	trans	-57.7	-40.3	168.9	0	0	0	0	0	111.3	T19 Y25 L26 D27	T19-A23 PolarHBondContact O-N 2.77Å; A23-Y25 VanDerWaalsContact C-N 3.28Å; A23-Y25 PolarHBondContact O-N 3.32Å; A23-L26 PolarHBondContact O-N 3.03Å; A23-D27 WeakPolarHBondContact O-CB 3.25Å; A23-D27 PolarHBondContact O-N 3.23Å
24	L	44.9	Very low	40	Very low	111 Å²	111	79 Å²	79	58%	0.581	42%	0.419	S	S	*	.	H	α-helix	trans	-57.8	-35	174.6	-78	165.9	0	0	0	113.5	Q20 S22 E28	Q20-L24 VanDerWaalsContact O-CG 3.31Å; Q20-L24 WeakPolarHBondContact O-CG 3.26Å; Q20-L24 PolarHBondContact O-N 3.47Å; S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.45Å; L24-E28 WeakPolarHBondContact O-CB 3.13Å; L24-E28 PolarHBondContact O-N 2.96Å
25	Y	43.9	Very low	40.8	Very low	119 Å²	119	76 Å²	76	47%	0.467	40%	0.402	S	S	.	.	H	α-helix	trans	-74.3	-40.7	-177.3	-167	-100.5	0	0	0	112.4	S22 A23 I29	S22-Y25 PolarHBondContact O-N 3.21Å; S22-Y25 VanDerWaalsContact O-N 3.14Å; A23-Y25 VanDerWaalsContact C-N 3.28Å; A23-Y25 PolarHBondContact O-N 3.32Å; Y25-I29 HydrophobicContact CD1-CD1 3.85Å; Y25-I29 HydrophobicContact CE1-CD1 3.69Å; Y25-I29 VanDerWaalsContact O-CG1 3.31Å; Y25-I29 WeakPolarHBondContact O-CG1 3.42Å; Y25-I29 PolarHBondContact O-N 3.49Å; Y25-I29 VanDerWaalsContact O-N 3.12Å
26	L	49.4	Very low	41.7	Very low	6 Å²	6	78.5 Å²	78.5	3%	0.031	42%	0.415	C	S	.	.	H	α-helix	trans	-73.6	-37.8	174.4	-176.2	51.8	0	0	0	111	S22 A23 E28 I29 L30 V38 I95 W130 V140	S22-L26 PolarHBondContact O-N 2.76Å; A23-L26 PolarHBondContact O-N 3.03Å; L26-E28 VanDerWaalsContact C-N 3.31Å; L26-E28 PolarHBondContact O-N 3.26Å; L26-I29 HydrophobicContact CD1-CB 4.43Å; L26-I29 CarbonylContact O-C 3.56Å; L26-I29 WeakPolarHBondContact O-CB 3.17Å; L26-I29 PolarHBondContact O-N 3.26Å; L26-L30 HydrophobicContact CD1-CD1 4.47Å; L26-L30 HydrophobicContact CD1-CG 4.15Å; L26-L30 HydrophobicContact CG-CD1 4.11Å; L26-L30 HydrophobicContact CG-CG 4.29Å; L26-L30 WeakPolarHBondContact O-CB 3.5Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.41Å; L26-V38 HydrophobicContact CD2-CG2 4.27Å; L26-I95 HydrophobicContact CD1-CD1 4.29Å; L26-W130 HydrophobicContact CD2-CD2 4.14Å; L26-W130 VanDerWaalsContact CD2-CE2 3.47Å; L26-W130 HydrophobicContact CD2-CG 4.38Å; L26-W130 HydrophobicContact CD2-CZ2 3.75Å; L26-W130 VanDerWaalsContact CD2-NE1 3.35Å; L26-V140 HydrophobicContact CD2-CB 4.31Å; L26-V140 HydrophobicContact CD2-CG1 4.26Å; L26-V140 HydrophobicContact CD2-CG2 3.23Å; L26-V140 HydrophobicContact CG-CG2 3.98Å
27	D	52.8	Low	42.3	Very low	75 Å²	75	79.5 Å²	79.5	40%	0.401	41%	0.413	S	S	.	.	H	α-helix	trans	-60.9	-38.8	170.9	-96.8	0.6	0	0	0	112	A23 I29 L30 Q31	A23-D27 WeakPolarHBondContact O-CB 3.25Å; A23-D27 PolarHBondContact O-N 3.23Å; D27-I29 VanDerWaalsContact C-N 3.34Å; D27-L30 PolarHBondContact O-N 3.35Å; D27-Q31 WeakPolarHBondContact O-CB 3.2Å; D27-Q31 VanDerWaalsContact O-CG 3.25Å; D27-Q31 WeakPolarHBondContact O-CG 3.11Å; D27-Q31 PolarHBondContact O-N 3.26Å
28	E	50.9	Low	43	Very low	82 Å²	82	74 Å²	74	38%	0.383	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175.3	-167.7	176.7	-169.8	0	0	110.6	L24 L26 H32	L24-E28 WeakPolarHBondContact O-CB 3.13Å; L24-E28 PolarHBondContact O-N 2.96Å; L26-E28 VanDerWaalsContact C-N 3.31Å; L26-E28 PolarHBondContact O-N 3.26Å; E28-H32 WeakPolarHBondContact O-CB 3.43Å; E28-H32 PolarHBondContact O-N 3.3Å; E28-H32 PolarHBondContact O-ND1 3.48Å
29	I	49.6	Very low	43.6	Very low	23 Å²	23	67.7 Å²	67.7	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-48.2	173.3	-68	166	0	0	0	111.1	Y25 L26 D27 H32 C33 I69 I97	Y25-I29 HydrophobicContact CD1-CD1 3.85Å; Y25-I29 HydrophobicContact CE1-CD1 3.69Å; Y25-I29 VanDerWaalsContact O-CG1 3.31Å; Y25-I29 WeakPolarHBondContact O-CG1 3.42Å; Y25-I29 PolarHBondContact O-N 3.49Å; Y25-I29 VanDerWaalsContact O-N 3.12Å; L26-I29 HydrophobicContact CD1-CB 4.43Å; L26-I29 CarbonylContact O-C 3.56Å; L26-I29 WeakPolarHBondContact O-CB 3.17Å; L26-I29 PolarHBondContact O-N 3.26Å; D27-I29 VanDerWaalsContact C-N 3.34Å; I29-H32 PolarHBondContact O-N 3.1Å; I29-C33 WeakPolarHBondContact O-CB 3.18Å; I29-C33 PolarHBondContact O-N 3.14Å; I29-C33 PolarHBondContact O-SG 3.1Å; I29-I69 HydrophobicContact CG2-CD1 4.04Å; I29-I97 HydrophobicContact CD1-CD1 4.48Å
30	L	52.7	Low	44	Very low	19 Å²	19	67 Å²	67	10%	0.099	36%	0.364	C	S	.	.	H	α-helix	trans	-63.3	-48.9	-179.2	-70.6	172.9	0	0	0	110.9	L26 D27 H32 C33 G34 Q35 V38	L26-L30 HydrophobicContact CD1-CD1 4.47Å; L26-L30 HydrophobicContact CD1-CG 4.15Å; L26-L30 HydrophobicContact CG-CD1 4.11Å; L26-L30 HydrophobicContact CG-CG 4.29Å; L26-L30 WeakPolarHBondContact O-CB 3.5Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.41Å; D27-L30 PolarHBondContact O-N 3.35Å; L30-H32 VanDerWaalsContact C-N 3.34Å; L30-H32 PolarHBondContact O-N 3.33Å; L30-C33 CarbonylContact O-C 3.49Å; L30-C33 WeakPolarHBondContact O-CA 3.47Å; L30-C33 PolarHBondContact O-N 3.1Å; L30-G34 PolarHBondContact O-N 2.95Å; L30-G34 VanDerWaalsContact O-N 3.08Å; L30-Q35 CarbonylContact C-O 3.44Å; L30-Q35 HydrophobicContact CB-CB 4.25Å; L30-Q35 HydrophobicContact CD2-CB 3.8Å; L30-Q35 PolarHBondContact O-N 2.95Å; L30-Q35 VanDerWaalsContact O-O 3.09Å; L30-V38 HydrophobicContact CD1-CG2 4.06Å
31	Q	54.3	Low	44.1	Very low	139 Å²	139	66 Å²	66	65%	0.65	36%	0.355	S	S	*	.	H	α-helix	trans	-58.8	-43.6	175.1	-76.1	-179	8.3	0	0	111.9	D27 C33 G34	D27-Q31 WeakPolarHBondContact O-CB 3.2Å; D27-Q31 VanDerWaalsContact O-CG 3.25Å; D27-Q31 WeakPolarHBondContact O-CG 3.11Å; D27-Q31 PolarHBondContact O-N 3.26Å; Q31-C33 PolarHBondContact O-N 2.91Å; Q31-G34 PolarHBondContact O-N 3.4Å; Q31-G34 VanDerWaalsContact O-N 3.14Å
32	H	46.9	Very low	44.3	Very low	82 Å²	82	69.1 Å²	69.1	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-19.4	177	-78.1	43.2	0	0	0	112.9	E28 I29 L30 F61	E28-H32 WeakPolarHBondContact O-CB 3.43Å; E28-H32 PolarHBondContact O-N 3.3Å; E28-H32 PolarHBondContact O-ND1 3.48Å; I29-H32 PolarHBondContact O-N 3.1Å; L30-H32 VanDerWaalsContact C-N 3.34Å; L30-H32 PolarHBondContact O-N 3.33Å; H32-F61 PolarHBondContact CD2-O 2.89Å
33	C	43.4	Very low	44.8	Very low	26 Å²	26	70.3 Å²	70.3	18%	0.176	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.7	176.4	-62.7	0	0	0	0	113.6	I29 L30 Q31 Q35 I69	I29-C33 WeakPolarHBondContact O-CB 3.18Å; I29-C33 PolarHBondContact O-N 3.14Å; I29-C33 PolarHBondContact O-SG 3.1Å; L30-C33 CarbonylContact O-C 3.49Å; L30-C33 WeakPolarHBondContact O-CA 3.47Å; L30-C33 PolarHBondContact O-N 3.1Å; Q31-C33 PolarHBondContact O-N 2.91Å; C33-Q35 HydrophobicContact CB-CG 4.37Å; C33-Q35 PolarHBondContact O-N 3.16Å; C33-I69 WeakPolarHBondContact SG-CD1 3.41Å
34	G	47.5	Very low	44.8	Very low	67 Å²	67	71.3 Å²	71.3	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	19	-176	0	0	0	0	0	113.8	L30 Q31	L30-G34 PolarHBondContact O-N 2.95Å; L30-G34 VanDerWaalsContact O-N 3.08Å; Q31-G34 PolarHBondContact O-N 3.4Å; Q31-G34 VanDerWaalsContact O-N 3.14Å
35	Q	46.5	Very low	44.1	Very low	46 Å²	46	68.6 Å²	68.6	22%	0.215	36%	0.357	C	S	.	.			trans	-100.8	143.7	178.9	-68.3	-62.4	-22.1	0	0	110.4	L30 C33 F58	L30-Q35 CarbonylContact C-O 3.44Å; L30-Q35 HydrophobicContact CB-CB 4.25Å; L30-Q35 HydrophobicContact CD2-CB 3.8Å; L30-Q35 PolarHBondContact O-N 2.95Å; L30-Q35 VanDerWaalsContact O-O 3.09Å; C33-Q35 HydrophobicContact CB-CG 4.37Å; C33-Q35 PolarHBondContact O-N 3.16Å; Q35-F58 HydrophobicContact CG-CE1 4.48Å; Q35-F58 VanDerWaalsContact NE2-CZ 3.32Å
36	T	48.8	Very low	43.6	Very low	124 Å²	124	70.8 Å²	70.8	76%	0.761	37%	0.371	S	S	*	.	S	Bend	trans	-116.4	-4.7	178.8	53.5	0	0	0	0	112.9
37	K	42.3	Very low	42.9	Very low	95 Å²	95	79.7 Å²	79.7	41%	0.413	41%	0.413	S	S	.	.	S	Bend	trans	-146.8	153.3	-177.9	-66.8	-171.8	164.2	-146.6	0	110.1	N137 D138	K37-N137 PolarHBondContact NZ-O 2.66Å; K37-D138 HydrophobicContact CB-CB 4.48Å; K37-D138 IonicContact NZ-OD2 3.45Å; K37-D138 PolarHBondContact NZ-OD2 2.83Å
38	V	45.2	Very low	41.8	Very low	12 Å²	12	84.6 Å²	84.6	7%	0.073	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-79	127.1	165	-179.9	0	0	0	0	107	L26 L30 T40 V134 D138 V140	L26-V38 HydrophobicContact CD2-CG2 4.27Å; L30-V38 HydrophobicContact CD1-CG2 4.06Å; V38-T40 PolarHBondContact O-N 3.35Å; V38-V134 HydrophobicContact CB-CG1 4.43Å; V38-D138 PolarHBondContact N-O 2.86Å; V38-D138 WeakPolarHBondContact O-CB 3.46Å; V38-V140 HydrophobicContact CG2-CG2 3.68Å
39	L	41.1	Very low	40.9	Very low	56 Å²	56	85 Å²	85	29%	0.293	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-76.6	125.4	179	-64.2	172.5	0	0	0	109.7
40	T	36.8	Very low	39.8	Very low	32 Å²	32	86.2 Å²	86.2	20%	0.196	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-86	165.1	175.3	66.8	0	0	0	0	111.2	V38 E42 D43 I44 D138	V38-T40 PolarHBondContact O-N 3.35Å; T40-E42 PolarHBondContact O-N 3.01Å; T40-D43 PolarHBondContact N-OD2 3.03Å; T40-D43 WeakPolarHBondContact O-CB 3.33Å; T40-D43 PolarHBondContact O-N 3.43Å; T40-D43 VanDerWaalsContact OG1-CG 3.24Å; T40-D43 PolarHBondContact OG1-N 2.68Å; T40-D43 PolarHBondContact OG1-OD2 3.36Å; T40-I44 WeakPolarHBondContact O-CD1 3.31Å; T40-I44 WeakPolarHBondContact O-CG1 3.4Å; T40-I44 PolarHBondContact O-N 2.73Å; T40-D138 HydrophobicContact CG2-CB 4.37Å; T40-D138 WeakPolarHBondContact CG2-OD1 3.24Å
41	W	31.5	Very low	38.8	Very low	104 Å²	104	96.7 Å²	96.7	39%	0.394	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.2	172.9	175.1	-106.2	0	0	0	112.3	I44 S45 P73 N75	W41-I44 CarbonylContact O-C 3.24Å; W41-I44 WeakPolarHBondContact O-CA 3.47Å; W41-I44 WeakPolarHBondContact O-CB 3.48Å; W41-I44 PolarHBondContact O-N 3.21Å; W41-S45 PolarHBondContact O-N 3.13Å; W41-P73 HydrophobicContact CE3-CB 3.75Å; W41-P73 HydrophobicContact CE3-CG 3.56Å; W41-P73 HydrophobicContact CZ3-CB 4.31Å; W41-P73 HydrophobicContact CZ3-CG 3.81Å; W41-N75 WeakPolarHBondContact CH2-ND2 3.24Å; W41-N75 VanDerWaalsContact CZ2-ND2 3.29Å; W41-N75 WeakPolarHBondContact CZ2-ND2 3.4Å
42	E	34.4	Very low	37.6	Very low	161 Å²	161	98.4 Å²	98.4	75%	0.752	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-70.9	-33.5	-179.6	-65.5	167.7	178.6	0	0	111.6	T40 I44 S45	T40-E42 PolarHBondContact O-N 3.01Å; E42-I44 PolarHBondContact O-N 3.26Å; E42-S45 PolarHBondContact O-N 3.17Å
43	D	42	Very low	36.8	Very low	72 Å²	72	98 Å²	98	39%	0.385	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-64.5	-20.6	169.2	-62.8	-50.7	0	0	0	112.8	T40	T40-D43 PolarHBondContact N-OD2 3.03Å; T40-D43 WeakPolarHBondContact O-CB 3.33Å; T40-D43 PolarHBondContact O-N 3.43Å; T40-D43 VanDerWaalsContact OG1-CG 3.24Å; T40-D43 PolarHBondContact OG1-N 2.68Å; T40-D43 PolarHBondContact OG1-OD2 3.36Å
44	I	36.2	Very low	36.2	Very low	46 Å²	46	105.6 Å²	105.6	24%	0.236	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-98.5	8.6	-176.4	-58.2	166	0	0	0	111.7	T40 W41 E42 P73	T40-I44 WeakPolarHBondContact O-CD1 3.31Å; T40-I44 WeakPolarHBondContact O-CG1 3.4Å; T40-I44 PolarHBondContact O-N 2.73Å; W41-I44 CarbonylContact O-C 3.24Å; W41-I44 WeakPolarHBondContact O-CA 3.47Å; W41-I44 WeakPolarHBondContact O-CB 3.48Å; W41-I44 PolarHBondContact O-N 3.21Å; E42-I44 PolarHBondContact O-N 3.26Å; I44-P73 HydrophobicContact CD1-CG 4.24Å
45	S	30.7	Very low	35.6	Very low	55 Å²	55	109.8 Å²	109.8	39%	0.385	53%	0.528	S	S	.	.			trans	-36.4	143.2	-171.2	71.2	0	0	0	0	117.5	W41 E42 E47 R48	W41-S45 PolarHBondContact O-N 3.13Å; E42-S45 PolarHBondContact O-N 3.17Å; S45-E47 PolarHBondContact O-N 3.15Å; S45-R48 PolarHBondContact O-N 2.84Å
46	E	33.2	Very low	34.9	Very low	164 Å²	164	113.2 Å²	113.2	77%	0.766	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-50.7	-24.5	-175.1	-69.1	-174.8	152.6	0	0	115.1	R48 V49	E46-R48 VanDerWaalsContact C-N 3.34Å; E46-R48 PolarHBondContact O-N 3.42Å; E46-V49 WeakPolarHBondContact O-CB 3.45Å; E46-V49 PolarHBondContact O-N 2.96Å; E46-V49 VanDerWaalsContact O-N 3.15Å
47	E	33.2	Very low	34.3	Very low	193 Å²	193	110.8 Å²	110.8	90%	0.902	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-74.3	-20.2	176.7	-76.8	-170.1	151.4	0	0	114	S45	S45-E47 PolarHBondContact O-N 3.15Å
48	R	30.8	Very low	34.1	Very low	179 Å²	179	108 Å²	108	68%	0.675	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-88.4	-9	168.3	-77.6	-176.5	171	173.1	-0.9	112.7	S45 E46 G50 L53	S45-R48 PolarHBondContact O-N 2.84Å; E46-R48 VanDerWaalsContact C-N 3.34Å; E46-R48 PolarHBondContact O-N 3.42Å; R48-G50 PolarHBondContact O-N 3.24Å; R48-L53 HydrophobicContact CB-CD1 3.61Å; R48-L53 WeakPolarHBondContact O-CD1 3.39Å
49	V	31	Very low	33.7	Very low	89 Å²	89	113.2 Å²	113.2	54%	0.539	54%	0.54	S	S	.	.			trans	-79.9	50.7	-177.8	-170.2	0	0	0	0	111.1	E46	E46-V49 WeakPolarHBondContact O-CB 3.45Å; E46-V49 PolarHBondContact O-N 2.96Å; E46-V49 VanDerWaalsContact O-N 3.15Å
50	G	26.7	Very low	33.5	Very low	49 Å²	49	110.9 Å²	110.9	51%	0.505	53%	0.529	S	S	.	.	S	Bend	trans	-101.3	86.2	169.4	0	0	0	0	0	110.9	R48 K52	R48-G50 PolarHBondContact O-N 3.24Å; G50-K52 WeakPolarHBondContact O-CB 3.49Å; G50-K52 PolarHBondContact O-N 3.3Å
51	R	32.4	Very low	33.5	Very low	239 Å²	239	116.1 Å²	116.1	90%	0.902	55%	0.549	S	S	*	.	S	Bend	trans	47.8	-1.3	173.6	-63.6	-172.3	-162.7	-177.3	5	118.4
52	K	29	Very low	33.7	Very low	176 Å²	176	113 Å²	113	77%	0.765	54%	0.539	S	S	*	.	S	Bend	trans	-108.2	-16.4	-168.2	-92.9	-178	172.7	179.3	0	114.4	G50	G50-K52 WeakPolarHBondContact O-CB 3.49Å; G50-K52 PolarHBondContact O-N 3.3Å
53	L	30.2	Very low	33.9	Very low	72 Å²	72	113.4 Å²	113.4	38%	0.377	54%	0.538	S	S	.	.	S	Bend	trans	-98.8	1.8	-174.7	-95.3	156.8	0	0	0	115.8	R48 K55	R48-L53 HydrophobicContact CB-CD1 3.61Å; R48-L53 WeakPolarHBondContact O-CD1 3.39Å; L53-K55 PolarHBondContact O-N 2.9Å
54	Q	30.5	Very low	33.5	Very low	187 Å²	187	113.1 Å²	113.1	87%	0.874	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	11.3	165.8	-82	-176.7	-26.1	0	0	113.6
55	K	34.2	Very low	33.6	Very low	155 Å²	155	114.9 Å²	114.9	67%	0.674	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	9.4	-151.1	-71.2	-173.4	174.5	-179.5	0	117.3	L53 V57	L53-K55 PolarHBondContact O-N 2.9Å; K55-V57 PolarHBondContact O-N 3.14Å
56	E	32.8	Very low	33.9	Very low	118 Å²	118	116 Å²	116	55%	0.551	56%	0.557	S	S	*	*			trans	-96.7	84.7	176	-67.7	-165	171.7	0	0	111.4	F58	E56-F58 HydrophobicContact CB-CE2 4.28Å; E56-F58 HydrophobicContact CB-CZ 4.04Å
57	V	36.5	Very low	34.1	Very low	72 Å²	72	108.4 Å²	108.4	44%	0.436	52%	0.522	S	S	.	.			trans	-84.7	110.4	162.1	178	0	0	0	0	107.3	K55 H59 C68	K55-V57 PolarHBondContact O-N 3.14Å; V57-H59 PolarHBondContact O-N 3.47Å; V57-H59 PolarHBondContact O-ND1 3.07Å; V57-C68 HydrophobicContact CG1-CB 3.65Å
58	F	37.2	Very low	34.4	Very low	36 Å²	36	100.7 Å²	100.7	16%	0.158	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.6	174.7	-61.9	-75.1	0	0	0	109.6	Q35 E56 C68 I69	Q35-F58 HydrophobicContact CG-CE1 4.48Å; Q35-F58 VanDerWaalsContact NE2-CZ 3.32Å; E56-F58 HydrophobicContact CB-CE2 4.28Å; E56-F58 HydrophobicContact CB-CZ 4.04Å; F58-C68 CarbonylContact O-C 3.39Å; F58-C68 VanDerWaalsContact O-CA 3.31Å; F58-C68 WeakPolarHBondContact O-CA 3.31Å; F58-I69 HydrophobicContact CB-CB 4.29Å; F58-I69 PolarHBondContact N-O 3.16Å; F58-I69 VanDerWaalsContact N-O 3.12Å; F58-I69 PolarHBondContact O-N 2.9Å
59	H	36.5	Very low	34.8	Very low	123 Å²	123	92.7 Å²	92.7	57%	0.569	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.2	175.6	-63.9	107.3	0	0	0	109.3	V57 C67 C68	V57-H59 PolarHBondContact O-N 3.47Å; V57-H59 PolarHBondContact O-ND1 3.07Å; H59-C67 WeakPolarHBondContact CA-O 3.4Å; H59-C68 PolarHBondContact CD2-SG 3.48Å
60	G	37.3	Very low	35.4	Very low	7 Å²	7	94.6 Å²	94.6	7%	0.072	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	164.1	177.8	0	0	0	0	0	112	K66 C67	G60-K66 CarbonylContact O-C 3.6Å; G60-K66 WeakPolarHBondContact O-CA 3.4Å; G60-C67 PolarHBondContact N-O 2.83Å; G60-C67 VanDerWaalsContact N-O 3.13Å; G60-C67 PolarHBondContact O-N 2.75Å
61	F	37.7	Very low	35.9	Very low	141 Å²	141	94.9 Å²	94.9	62%	0.618	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.2	166.7	-77.3	-92.1	0	0	0	108.8	H32 H65 K66	H32-F61 PolarHBondContact CD2-O 2.89Å; F61-H65 CarbonylContact C-O 3.52Å; F61-H65 WeakPolarHBondContact CA-O 3.45Å; F61-K66 HydrophobicContact CE1-CB 4.35Å
62	F	35.5	Very low	36.1	Very low	40 Å²	40	86.5 Å²	86.5	18%	0.175	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.2	173.2	-172.4	-101.3	0	0	0	109.2	G64 H65 C67 F99	F62-G64 PolarHBondContact O-N 2.66Å; F62-G64 VanDerWaalsContact O-N 3.12Å; F62-H65 PolarHBondContact N-O 3.4Å; F62-H65 PolarHBondContact O-N 3.09Å; F62-C67 VanDerWaalsContact CB-SG 3.59Å; F62-F99 HydrophobicContact CB-CE1 4.45Å; F62-F99 AromaticContact CD1-CE1 3.91Å; F62-F99 HydrophobicContact CD1-CE1 3.91Å; F62-F99 HydrophobicContact CG-CE1 4.47Å
63	K	37.6	Very low	36.2	Very low	169 Å²	169	80 Å²	80	74%	0.735	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	41.7	-177.7	-62.8	-173.1	176.1	-179.8	0	113.8	H65	K63-H65 PolarHBondContact O-CD2 3.01Å
64	G	34.7	Very low	36.4	Very low	66 Å²	66	80.6 Å²	80.6	68%	0.68	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	2	179.2	0	0	0	0	0	115.9	F62	F62-G64 PolarHBondContact O-N 2.66Å; F62-G64 VanDerWaalsContact O-N 3.12Å
65	H	38	Very low	36.3	Very low	82 Å²	82	76.7 Å²	76.7	38%	0.38	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138	177.6	-62.5	-76.6	0	0	0	111.8	F61 F62 K63 C67 N101	F61-H65 CarbonylContact C-O 3.52Å; F61-H65 WeakPolarHBondContact CA-O 3.45Å; F62-H65 PolarHBondContact N-O 3.4Å; F62-H65 PolarHBondContact O-N 3.09Å; K63-H65 PolarHBondContact O-CD2 3.01Å; H65-C67 PolarHBondContact O-SG 3.31Å; H65-C67 VanDerWaalsContact O-SG 3.41Å; H65-N101 PolarHBondContact CE1-OD1 3.4Å; H65-N101 PolarHBondContact ND1-OD1 3.43Å
66	K	38.2	Very low	35.9	Very low	79 Å²	79	77.3 Å²	77.3	34%	0.343	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126	175.7	-158.3	179.2	-176.3	-174.2	0	108.9	G60 F61 Q100	G60-K66 CarbonylContact O-C 3.6Å; G60-K66 WeakPolarHBondContact O-CA 3.4Å; F61-K66 HydrophobicContact CE1-CB 4.35Å; K66-Q100 PolarHBondContact O-N 3.17Å
67	C	36.9	Very low	35.8	Very low	5 Å²	5	77 Å²	77	3%	0.034	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.3	-176.8	-56	0	0	0	0	110.9	H59 G60 F62 H65 S98 F99	H59-C67 WeakPolarHBondContact CA-O 3.4Å; G60-C67 PolarHBondContact N-O 2.83Å; G60-C67 VanDerWaalsContact N-O 3.13Å; G60-C67 PolarHBondContact O-N 2.75Å; F62-C67 VanDerWaalsContact CB-SG 3.59Å; H65-C67 PolarHBondContact O-SG 3.31Å; H65-C67 VanDerWaalsContact O-SG 3.41Å; C67-S98 CarbonylContact C-O 3.48Å; C67-S98 WeakPolarHBondContact CA-O 3.41Å; C67-S98 WeakPolarHBondContact CB-O 3.33Å; C67-F99 WeakPolarHBondContact SG-CD1 3.24Å
68	C	38.7	Very low	35.5	Very low	31 Å²	31	83 Å²	83	21%	0.209	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.5	169.9	-64.9	0	0	0	0	108.7	V57 F58 H59 S98	V57-C68 HydrophobicContact CG1-CB 3.65Å; F58-C68 CarbonylContact O-C 3.39Å; F58-C68 VanDerWaalsContact O-CA 3.31Å; F58-C68 WeakPolarHBondContact O-CA 3.31Å; H59-C68 PolarHBondContact CD2-SG 3.48Å; C68-S98 PolarHBondContact N-O 3.13Å; C68-S98 WeakPolarHBondContact O-CB 3.38Å; C68-S98 PolarHBondContact O-N 3.41Å
69	I	40.5	Very low	35	Very low	11 Å²	11	92.8 Å²	92.8	6%	0.056	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.2	177.5	-52.7	-167.1	0	0	0	110.2	I29 C33 F58 I71 I95 A96 I97	I29-I69 HydrophobicContact CG2-CD1 4.04Å; C33-I69 WeakPolarHBondContact SG-CD1 3.41Å; F58-I69 HydrophobicContact CB-CB 4.29Å; F58-I69 PolarHBondContact N-O 3.16Å; F58-I69 VanDerWaalsContact N-O 3.12Å; F58-I69 PolarHBondContact O-N 2.9Å; I69-I71 HydrophobicContact CG2-CG1 4.38Å; I69-I95 HydrophobicContact CG2-CG2 3.69Å; I69-A96 CarbonylContact C-O 3.46Å; I69-A96 VanDerWaalsContact CA-O 3.23Å; I69-A96 WeakPolarHBondContact CA-O 3.42Å; I69-A96 WeakPolarHBondContact CG2-O 3.31Å; I69-I97 HydrophobicContact CD1-CD1 4.37Å; I69-I97 HydrophobicContact CD1-CG1 4.09Å; I69-I97 HydrophobicContact CD1-CG2 4.33Å; I69-I97 HydrophobicContact CG1-CB 4.5Å; I69-I97 HydrophobicContact CG1-CG1 4.21Å; I69-I97 HydrophobicContact CG1-CG2 4.18Å; I69-I97 HydrophobicContact CG2-CG1 4.32Å
70	K	41.7	Very low	34.5	Very low	128 Å²	128	95.1 Å²	95.1	56%	0.557	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.1	174.1	-179.7	-179.8	-177.7	177.5	0	108.5	I72 A96	K70-I72 HydrophobicContact CD-CD1 4.12Å; K70-I72 HydrophobicContact CD-CG1 4.24Å; K70-I72 HydrophobicContact CG-CD1 4.41Å; K70-I72 HydrophobicContact CG-CG1 4.03Å; K70-A96 HydrophobicContact CB-CB 4.26Å; K70-A96 PolarHBondContact N-O 2.85Å; K70-A96 WeakPolarHBondContact O-CA 3.45Å; K70-A96 VanDerWaalsContact O-CB 3.26Å; K70-A96 WeakPolarHBondContact O-CB 3.31Å; K70-A96 PolarHBondContact O-N 2.89Å
71	I	38.8	Very low	34.1	Very low	55 Å²	55	105.6 Å²	105.6	28%	0.282	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.4	176.2	-58.2	174.4	0	0	0	107.6	I69 E94 I95	I69-I71 HydrophobicContact CG2-CG1 4.38Å; I71-E94 CarbonylContact C-O 3.56Å; I71-E94 WeakPolarHBondContact CA-O 3.28Å; I71-E94 WeakPolarHBondContact CG2-O 3.33Å; I71-I95 HydrophobicContact CG1-CG2 4.43Å
72	I	36.6	Very low	33.4	Very low	64 Å²	64	104.9 Å²	104.9	33%	0.328	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.9	179.4	-55	177.6	0	0	0	108.1	K70 E94	K70-I72 HydrophobicContact CD-CD1 4.12Å; K70-I72 HydrophobicContact CD-CG1 4.24Å; K70-I72 HydrophobicContact CG-CD1 4.41Å; K70-I72 HydrophobicContact CG-CG1 4.03Å; I72-E94 PolarHBondContact N-O 3.14Å; I72-E94 WeakPolarHBondContact O-CB 3.41Å; I72-E94 PolarHBondContact O-N 2.76Å; I72-E94 VanDerWaalsContact O-N 3.16Å
73	P	31.4	Very low	32.9	Very low	40 Å²	40	111.8 Å²	111.8	26%	0.26	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.2	169.5	20.3	-17.2	0	0	0	110.4	W41 I44	W41-P73 HydrophobicContact CE3-CB 3.75Å; W41-P73 HydrophobicContact CE3-CG 3.56Å; W41-P73 HydrophobicContact CZ3-CB 4.31Å; W41-P73 HydrophobicContact CZ3-CG 3.81Å; I44-P73 HydrophobicContact CD1-CG 4.24Å
74	I	32.5	Very low	32.5	Very low	83 Å²	83	110.3 Å²	110.3	43%	0.426	55%	0.554	S	S	.	*			trans	-99.9	113.5	176.1	-60.5	177.6	0	0	0	109.3
75	N	29	Very low	32	Very low	105 Å²	105	115 Å²	115	56%	0.561	56%	0.558	S	S	*	*	S	Bend	trans	-85.5	114.1	160.8	-70.7	-20.7	0	0	0	107.3	W41	W41-N75 WeakPolarHBondContact CH2-ND2 3.24Å; W41-N75 VanDerWaalsContact CZ2-ND2 3.29Å; W41-N75 WeakPolarHBondContact CZ2-ND2 3.4Å
76	E	27	Very low	31.5	Very low	169 Å²	169	119 Å²	119	79%	0.79	58%	0.576	S	S	*	*	S	Bend	trans	79	92.8	179.3	-51.3	-171.3	179.4	0	0	116.1	H78	E76-H78 PolarHBondContact O-N 3.03Å; E76-H78 VanDerWaalsContact O-N 3.17Å
77	P	30.6	Very low	30.8	Very low	112 Å²	112	120.2 Å²	120.2	73%	0.727	60%	0.595	S	S	*	*			trans	-67.7	118.9	170.7	28.3	-30.3	0	0	0	108.1	R79	P77-R79 PolarHBondContact O-N 3.14Å
78	H	29.3	Very low	30.2	Very low	196 Å²	196	126.7 Å²	126.7	91%	0.907	63%	0.627	S	S	*	*			trans	-52.3	104.3	169	-81.8	-66.2	0	0	0	109.3	E76 Q80	E76-H78 PolarHBondContact O-N 3.03Å; E76-H78 VanDerWaalsContact O-N 3.17Å; H78-Q80 PolarHBondContact O-N 3.06Å
79	R	26.7	Very low	29.5	Very low	242 Å²	242	133.8 Å²	133.8	91%	0.913	66%	0.658	S	S	*	*			trans	-52.1	117.8	171.5	-83.2	178.4	170.4	179.4	-2.4	109.6	P77	P77-R79 PolarHBondContact O-N 3.14Å
80	Q	25	Very low	28.8	Very low	173 Å²	173	139.2 Å²	139.2	81%	0.808	69%	0.687	S	S	*	*				-169.7	90.4	122.9	-102.1	-177.9	10.5	0	0	110.2	H78	H78-Q80 PolarHBondContact O-N 3.06Å
81	Y	29.3	Very low	28.2	Very low	227 Å²	227	138.4 Å²	138.4	89%	0.89	69%	0.692	S	S	*	*			trans	-138.5	99.5	142.8	-89.5	-83.9	0	0	0	105.5	E83	Y81-E83 PolarHBondContact O-N 3.49Å
82	T	24.3	Very low	27.6	Very low	126 Å²	126	139 Å²	139	77%	0.773	70%	0.698	S	S	*	*			trans	-53.8	133.6	170.3	40.7	0	0	0	0	109
83	E	25.3	Very low	27.2	Very low	185 Å²	185	136.9 Å²	136.9	86%	0.864	69%	0.689	S	S	*	*			trans	91	72.1	178	-52.5	175.9	-178.1	0	0	116.7	Y81	Y81-E83 PolarHBondContact O-N 3.49Å
84	V	28.9	Very low	27.2	Very low	138 Å²	138	137.2 Å²	137.2	84%	0.836	69%	0.687	S	S	*	*			trans	-137.2	93.9	141.2	-172.5	0	0	0	0	107.9
85	E	23.9	Very low	27.4	Very low	164 Å²	164	134 Å²	134	77%	0.766	67%	0.671	S	S	*	*			trans	-74.1	140.7	162.7	-67.9	-177.1	146.7	0	0	108.9
86	H	26.2	Very low	27.6	Very low	167 Å²	167	130 Å²	130	77%	0.773	65%	0.652	S	S	*	*			trans	101.4	113.2	167.3	-54.6	73.3	0	0	0	117.3
87	S	25	Very low	28	Very low	104 Å²	104	122.9 Å²	122.9	73%	0.727	62%	0.619	S	S	*	*			trans	80.5	94.4	157.5	-155.4	0	0	0	0	116
88	I	23.4	Very low	28.1	Very low	140 Å²	140	118.5 Å²	118.5	72%	0.718	59%	0.591	S	S	*	*				61.3	101.2	82	-48.6	163.7	0	0	0	111.4
89	E	24.5	Very low	28.2	Very low	181 Å²	181	112.6 Å²	112.6	85%	0.846	56%	0.563	S	S	*	*			trans	65.1	77.6	160.5	-62.2	173.2	-165.2	0	0	117.9
90	D	26	Very low	28.3	Very low	125 Å²	125	103.3 Å²	103.3	67%	0.668	53%	0.53	S	S	*	.			trans	-139.8	117.1	162.6	-87	-37.2	0	0	0	111.1
91	V	27.5	Very low	28.4	Very low	111 Å²	111	101.2 Å²	101.2	67%	0.673	52%	0.524	S	S	*	.			trans	-76.9	125.8	172.8	178	0	0	0	0	108.5	P93	V91-P93 WeakPolarHBondContact O-CD 3.32Å
92	V	26.9	Very low	28.3	Very low	67 Å²	67	98.7 Å²	98.7	41%	0.406	52%	0.518	S	S	.	.			trans	-101	108.8	179.6	-176.9	0	0	0	0	109.7
93	P	28.6	Very low	28.5	Very low	20 Å²	20	97.1 Å²	97.1	13%	0.13	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.9	175.2	29.2	-28.8	0	0	0	111.9	V91 W130	V91-P93 WeakPolarHBondContact O-CD 3.32Å; P93-W130 HydrophobicContact CG-CE3 3.68Å; P93-W130 HydrophobicContact CG-CZ3 3.52Å; P93-W130 VanDerWaalsContact O-O 3.14Å
94	E	30.7	Very low	28.7	Very low	46 Å²	46	98 Å²	98	22%	0.215	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.3	174.3	-148.7	177.9	-160.7	0	0	110.6	I71 I72 T129	I71-E94 CarbonylContact C-O 3.56Å; I71-E94 WeakPolarHBondContact CA-O 3.28Å; I71-E94 WeakPolarHBondContact CG2-O 3.33Å; I72-E94 PolarHBondContact N-O 3.14Å; I72-E94 WeakPolarHBondContact O-CB 3.41Å; I72-E94 PolarHBondContact O-N 2.76Å; I72-E94 VanDerWaalsContact O-N 3.16Å; E94-T129 HydrophobicContact CG-CG2 4.05Å; E94-T129 PolarHBondContact OE1-OG1 2.92Å
95	I	36.4	Very low	28.5	Very low	17 Å²	17	98.4 Å²	98.4	9%	0.087	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	94.7	-178.2	-54.9	177.7	0	0	0	109.7	L26 I69 I71 I97 C128 W130	L26-I95 HydrophobicContact CD1-CD1 4.29Å; I69-I95 HydrophobicContact CG2-CG2 3.69Å; I71-I95 HydrophobicContact CG1-CG2 4.43Å; I95-I97 HydrophobicContact CG2-CD1 4.28Å; I95-I97 HydrophobicContact CG2-CG1 3.97Å; I95-C128 CarbonylContact C-O 3.53Å; I95-C128 PolarHBondContact N-O 2.87Å; I95-C128 VanDerWaalsContact N-O 3.13Å; I95-C128 CarbonylContact O-C 3.2Å; I95-C128 VanDerWaalsContact O-C 3.24Å; I95-C128 WeakPolarHBondContact O-CA 3.28Å; I95-C128 WeakPolarHBondContact O-CB 3.37Å; I95-C128 PolarHBondContact O-N 2.73Å; I95-W130 HydrophobicContact CD1-CB 3.84Å; I95-W130 HydrophobicContact CD1-CG 4.29Å; I95-W130 HydrophobicContact CG1-CB 4.28Å
96	A	34	Very low	28.6	Very low	20 Å²	20	97.6 Å²	97.6	17%	0.165	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.8	174.2	0	0	0	0	0	111.5	I69 K70 T127	I69-A96 CarbonylContact C-O 3.46Å; I69-A96 VanDerWaalsContact CA-O 3.23Å; I69-A96 WeakPolarHBondContact CA-O 3.42Å; I69-A96 WeakPolarHBondContact CG2-O 3.31Å; K70-A96 HydrophobicContact CB-CB 4.26Å; K70-A96 PolarHBondContact N-O 2.85Å; K70-A96 WeakPolarHBondContact O-CA 3.45Å; K70-A96 VanDerWaalsContact O-CB 3.26Å; K70-A96 WeakPolarHBondContact O-CB 3.31Å; K70-A96 PolarHBondContact O-N 2.89Å; A96-T127 HydrophobicContact CB-CG2 4.31Å
97	I	35.1	Very low	28.5	Very low	19 Å²	19	98.3 Å²	98.3	10%	0.097	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	105.7	-179	-53.5	178.7	0	0	0	110.3	I29 I69 I95 F99 A126	I29-I97 HydrophobicContact CD1-CD1 4.48Å; I69-I97 HydrophobicContact CD1-CD1 4.37Å; I69-I97 HydrophobicContact CD1-CG1 4.09Å; I69-I97 HydrophobicContact CD1-CG2 4.33Å; I69-I97 HydrophobicContact CG1-CB 4.5Å; I69-I97 HydrophobicContact CG1-CG1 4.21Å; I69-I97 HydrophobicContact CG1-CG2 4.18Å; I69-I97 HydrophobicContact CG2-CG1 4.32Å; I95-I97 HydrophobicContact CG2-CD1 4.28Å; I95-I97 HydrophobicContact CG2-CG1 3.97Å; I97-F99 HydrophobicContact CG2-CE1 4.22Å; I97-F99 HydrophobicContact CG2-CE2 3.88Å; I97-F99 HydrophobicContact CG2-CZ 3.67Å; I97-A126 CarbonylContact C-O 3.54Å; I97-A126 VanDerWaalsContact C-O 3.3Å; I97-A126 CarbonylContact O-C 3.55Å
98	S	33	Very low	28.7	Very low	21 Å²	21	100.1 Å²	100.1	15%	0.147	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137.5	176.8	178.3	0	0	0	0	111.9	C67 C68	C67-S98 CarbonylContact C-O 3.48Å; C67-S98 WeakPolarHBondContact CA-O 3.41Å; C67-S98 WeakPolarHBondContact CB-O 3.33Å; C68-S98 PolarHBondContact N-O 3.13Å; C68-S98 WeakPolarHBondContact O-CB 3.38Å; C68-S98 PolarHBondContact O-N 3.41Å
99	F	31	Very low	28.8	Very low	72 Å²	72	102.4 Å²	102.4	32%	0.316	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.3	177.2	-60.9	-86.3	0	0	0	111	F62 C67 I97 A126	F62-F99 HydrophobicContact CB-CE1 4.45Å; F62-F99 AromaticContact CD1-CE1 3.91Å; F62-F99 HydrophobicContact CD1-CE1 3.91Å; F62-F99 HydrophobicContact CG-CE1 4.47Å; C67-F99 WeakPolarHBondContact SG-CD1 3.24Å; I97-F99 HydrophobicContact CG2-CE1 4.22Å; I97-F99 HydrophobicContact CG2-CE2 3.88Å; I97-F99 HydrophobicContact CG2-CZ 3.67Å; F99-A126 HydrophobicContact CD2-CB 4.2Å; F99-A126 HydrophobicContact CE2-CB 4.11Å
100	Q	29.1	Very low	28.9	Very low	46 Å²	46	102.6 Å²	102.6	22%	0.215	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.6	176.1	-81.8	-173	-13.4	0	0	113.6	K66 L103 T123	K66-Q100 PolarHBondContact O-N 3.17Å; Q100-L103 VanDerWaalsContact OE1-CD1 3.28Å; Q100-T123 HydrophobicContact CG-CG2 3.75Å
101	N	27.7	Very low	28.9	Very low	129 Å²	129	105.7 Å²	105.7	69%	0.69	52%	0.521	S	S	*	.	S	Bend	trans	-97.6	107.3	161.9	-92.7	-14.6	0	0	0	109.3	H65	H65-N101 PolarHBondContact CE1-OD1 3.4Å; H65-N101 PolarHBondContact ND1-OD1 3.43Å
102	K	27	Very low	28.7	Very low	174 Å²	174	103.5 Å²	103.5	76%	0.757	52%	0.52	S	S	*	.			trans	61	114.8	174	-67.8	-178	174.9	-177.3	0	116.4
103	L	28.9	Very low	28.8	Very low	93 Å²	93	106.6 Å²	106.6	49%	0.487	54%	0.535	S	S	.	.			trans	-125.9	127.4	163.5	-144.5	123.3	0	0	0	109.8	Q100 L120	Q100-L103 VanDerWaalsContact OE1-CD1 3.28Å; L103-L120 HydrophobicContact CD1-CD1 4.42Å
104	Y	27.9	Very low	29.1	Very low	204 Å²	204	112.7 Å²	112.7	80%	0.8	57%	0.566	S	S	*	*			trans	-81.1	120.6	166.3	-70.1	-90.4	0	0	0	107.7	L106	Y104-L106 PolarHBondContact O-N 3.39Å
105	L	26.1	Very low	29.4	Very low	146 Å²	146	117 Å²	117	76%	0.764	59%	0.591	S	S	*	*			trans	-73.6	100.3	178.1	-94.9	140.4	0	0	0	110
106	L	24.6	Very low	29.2	Very low	147 Å²	147	121.4 Å²	121.4	77%	0.77	61%	0.614	S	S	*	*			trans	-111.9	110.5	156.4	-87	160.6	0	0	0	107.9	Y104 V108	Y104-L106 PolarHBondContact O-N 3.39Å; L106-V108 PolarHBondContact O-N 2.92Å
107	Q	24.7	Very low	29	Very low	182 Å²	182	125.5 Å²	125.5	85%	0.85	64%	0.641	S	S	*	*			trans	27	83.8	160	-71.7	177.9	-38.9	0	0	117.4
108	V	28.6	Very low	28.9	Very low	142 Å²	142	133.3 Å²	133.3	86%	0.861	68%	0.675	S	S	*	*			trans	-104.9	69.5	155	-172.2	0	0	0	0	107.4	L106	L106-V108 PolarHBondContact O-N 2.92Å
109	K	26.3	Very low	28.9	Very low	189 Å²	189	135.8 Å²	135.8	82%	0.822	69%	0.691	S	S	*	*			trans	-121.6	126.3	161.6	-93.7	-171.8	175.6	-177.6	0	105.3
110	E	27.4	Very low	28.9	Very low	185 Å²	185	136.9 Å²	136.9	86%	0.864	70%	0.7	S	S	*	*	S	Bend	trans	83.5	126.1	176.6	-54.7	-179.3	159.5	0	0	115.7
111	K	24.4	Very low	29.1	Very low	190 Å²	190	139.4 Å²	139.4	83%	0.826	72%	0.718	S	S	*	*			trans	78.9	124.6	-178.5	-53.4	175.9	177.1	179.2	0	113
112	G	25.3	Very low	29.5	Very low	64 Å²	64	141.3 Å²	141.3	66%	0.66	72%	0.723	S	S	*	*			cis	104.3	102.4	27.3	0	0	0	0	0	106.9
113	D	27.6	Very low	29.8	Very low	132 Å²	132	134.2 Å²	134.2	71%	0.706	69%	0.694	S	S	*	*			trans	101.5	141.2	179.4	-140.8	-11.7	0	0	0	116.7	D115	D113-D115 PolarHBondContact O-N 3.06Å
114	D	34.4	Very low	30.5	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-64.4	-14.9	-175.6	-103.7	-19.6	0	0	0	112.6
115	D	37.9	Very low	31.1	Very low	135 Å²	135	131.4 Å²	131.4	72%	0.722	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-85.7	-13	-169.7	-70.6	-23.9	0	0	0	115	D113	D113-D115 PolarHBondContact O-N 3.06Å
116	D	32.7	Very low	32	Very low	110 Å²	110	125 Å²	125	59%	0.588	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-92.7	4.7	-176	-92.5	-21.3	0	0	0	114.4	F118	D116-F118 VanDerWaalsContact C-N 3.34Å; D116-F118 PolarHBondContact O-N 3.07Å
117	C	30.2	Very low	33.1	Very low	107 Å²	107	119.8 Å²	119.8	72%	0.723	62%	0.623	S	S	*	*			trans	-76.6	84.2	169.7	-106.9	0	0	0	0	110.7	C119	C117-C119 PolarHBondContact O-N 2.86Å
118	F	31.4	Very low	34.2	Very low	183 Å²	183	111.2 Å²	111.2	80%	0.803	58%	0.583	S	S	*	*			trans	-66.8	83.9	166.7	-77.2	-84.4	0	0	0	110.5	D116 L120	D116-F118 VanDerWaalsContact C-N 3.34Å; D116-F118 PolarHBondContact O-N 3.07Å; F118-L120 PolarHBondContact O-N 2.83Å
119	C	33.6	Very low	35.1	Very low	72 Å²	72	106.1 Å²	106.1	49%	0.486	55%	0.553	S	S	.	*			trans	-63.6	112.2	168.7	-79.8	0	0	0	0	109.2	C117 T121 Y125	C117-C119 PolarHBondContact O-N 2.86Å; C119-T121 PolarHBondContact O-N 3.5Å; C119-Y125 WeakPolarHBondContact CB-OH 3.34Å; C119-Y125 PolarHBondContact SG-OH 2.87Å
120	L	31.2	Very low	36.4	Very low	96 Å²	96	97.4 Å²	97.4	50%	0.503	51%	0.514	S	S	.	.			trans	-53.9	131.1	174.2	-71.9	166.6	0	0	0	109.2	L103 F118 H122 T123	L103-L120 HydrophobicContact CD1-CD1 4.42Å; F118-L120 PolarHBondContact O-N 2.83Å; L120-H122 PolarHBondContact O-N 2.87Å; L120-T123 PolarHBondContact O-N 2.78Å; L120-T123 VanDerWaalsContact O-N 3.11Å; L120-T123 PolarHBondContact O-OG1 2.71Å
121	T	33.8	Very low	37.3	Very low	99 Å²	99	92.7 Å²	92.7	61%	0.607	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	1.8	-173.5	45.7	0	0	0	0	115.5	C119	C119-T121 PolarHBondContact O-N 3.5Å
122	H	35.8	Very low	38.6	Very low	168 Å²	168	84.2 Å²	84.2	78%	0.778	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	9.6	-174.6	-58	73.8	0	0	0	113.1	L120	L120-H122 PolarHBondContact O-N 2.87Å
123	T	32.9	Very low	39.6	Very low	25 Å²	25	81.9 Å²	81.9	15%	0.153	43%	0.433	C	S	.	.			trans	-82.8	125.1	-174.6	-39.4	0	0	0	0	110.8	Q100 L120 Y125	Q100-T123 HydrophobicContact CG-CG2 3.75Å; L120-T123 PolarHBondContact O-N 2.78Å; L120-T123 VanDerWaalsContact O-N 3.11Å; L120-T123 PolarHBondContact O-OG1 2.71Å; T123-Y125 WeakPolarHBondContact CB-OH 3.33Å; T123-Y125 HydrophobicContact CG2-CE1 4.18Å; T123-Y125 HydrophobicContact CG2-CE2 4.44Å; T123-Y125 WeakPolarHBondContact O-CD2 3.46Å; T123-Y125 VanDerWaalsContact O-CE2 3.31Å; T123-Y125 WeakPolarHBondContact O-CE2 3.16Å; T123-Y125 PolarHBondContact O-N 3.32Å
124	K	43	Very low	40.9	Very low	170 Å²	170	78.2 Å²	78.2	74%	0.739	42%	0.415	S	S	*	.			trans	-82	101.3	173.4	-68.6	-176.7	-179.8	-177.4	0	108.8
125	Y	41.5	Very low	42.2	Very low	68 Å²	68	73.4 Å²	73.4	27%	0.267	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-79.7	143.8	170.3	-52.8	-86.2	0	0	0	109.8	C119 T123 Y151	C119-Y125 WeakPolarHBondContact CB-OH 3.34Å; C119-Y125 PolarHBondContact SG-OH 2.87Å; T123-Y125 WeakPolarHBondContact CB-OH 3.33Å; T123-Y125 HydrophobicContact CG2-CE1 4.18Å; T123-Y125 HydrophobicContact CG2-CE2 4.44Å; T123-Y125 WeakPolarHBondContact O-CD2 3.46Å; T123-Y125 VanDerWaalsContact O-CE2 3.31Å; T123-Y125 WeakPolarHBondContact O-CE2 3.16Å; T123-Y125 PolarHBondContact O-N 3.32Å; Y125-Y151 WeakPolarHBondContact O-CD2 3.32Å; Y125-Y151 PolarHBondContact O-N 2.73Å
126	A	45.4	Very low	43.3	Very low	11 Å²	11	75 Å²	75	9%	0.091	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.8	160.8	0	0	0	0	0	108.4	I97 F99 Y149	I97-A126 CarbonylContact C-O 3.54Å; I97-A126 VanDerWaalsContact C-O 3.3Å; I97-A126 CarbonylContact O-C 3.55Å; F99-A126 HydrophobicContact CD2-CB 4.2Å; F99-A126 HydrophobicContact CE2-CB 4.11Å; A126-Y149 CarbonylContact C-O 3.56Å; A126-Y149 WeakPolarHBondContact CA-O 3.16Å
127	T	46	Very low	44.5	Very low	38 Å²	38	74.5 Å²	74.5	23%	0.233	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122	170.2	-60.1	0	0	0	0	107.3	A96 C148 Y149	A96-T127 HydrophobicContact CB-CG2 4.31Å; T127-C148 CarbonylContact O-C 3.59Å; T127-C148 WeakPolarHBondContact O-CA 3.18Å; T127-Y149 PolarHBondContact N-O 2.69Å; T127-Y149 PolarHBondContact O-N 2.9Å
128	C	48	Very low	45.5	Very low	3 Å²	3	71 Å²	71	2%	0.02	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.6	-179.7	-52.6	0	0	0	0	112.1	I95 V146 V147 C148	I95-C128 CarbonylContact C-O 3.53Å; I95-C128 PolarHBondContact N-O 2.87Å; I95-C128 VanDerWaalsContact N-O 3.13Å; I95-C128 CarbonylContact O-C 3.2Å; I95-C128 VanDerWaalsContact O-C 3.24Å; I95-C128 WeakPolarHBondContact O-CA 3.28Å; I95-C128 WeakPolarHBondContact O-CB 3.37Å; I95-C128 PolarHBondContact O-N 2.73Å; C128-V146 HydrophobicContact CB-CG1 4.12Å; C128-V147 CarbonylContact C-O 3.59Å; C128-V147 VanDerWaalsContact CA-O 3.25Å; C128-V147 WeakPolarHBondContact CA-O 3.08Å; C128-C148 HydrophobicContact CB-CB 3.98Å; C128-C148 WeakPolarHBondContact CB-SG 3.5Å; C128-C148 WeakPolarHBondContact SG-CB 3.12Å; C128-C148 CovalentContact SG-SG 2.03Å; C128-C148 PolarHBondContact SG-SG 3.01Å
129	T	47.6	Very low	46.4	Very low	35 Å²	35	68.3 Å²	68.3	22%	0.215	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.5	172.2	-48.7	0	0	0	0	105.7	E94 V146 V147	E94-T129 HydrophobicContact CG-CG2 4.05Å; E94-T129 PolarHBondContact OE1-OG1 2.92Å; T129-V146 CarbonylContact O-C 3.52Å; T129-V146 WeakPolarHBondContact O-CA 3.37Å; T129-V147 PolarHBondContact N-O 2.94Å; T129-V147 PolarHBondContact O-N 2.87Å
130	W	54.4	Low	47.3	Very low	6 Å²	6	66 Å²	66	2%	0.023	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.5	175.7	169.5	90.6	0	0	0	108.5	L26 P93 I95 G132 V134 V140 T143 V146	L26-W130 HydrophobicContact CD2-CD2 4.14Å; L26-W130 VanDerWaalsContact CD2-CE2 3.47Å; L26-W130 HydrophobicContact CD2-CG 4.38Å; L26-W130 HydrophobicContact CD2-CZ2 3.75Å; L26-W130 VanDerWaalsContact CD2-NE1 3.35Å; P93-W130 HydrophobicContact CG-CE3 3.68Å; P93-W130 HydrophobicContact CG-CZ3 3.52Å; P93-W130 VanDerWaalsContact O-O 3.14Å; I95-W130 HydrophobicContact CD1-CB 3.84Å; I95-W130 HydrophobicContact CD1-CG 4.29Å; I95-W130 HydrophobicContact CG1-CB 4.28Å; W130-G132 VanDerWaalsContact CZ2-CA 3.46Å; W130-V134 HydrophobicContact CH2-CG1 4.07Å; W130-V140 HydrophobicContact CZ2-CG1 3.96Å; W130-V140 HydrophobicContact CZ2-CG2 4.06Å; W130-T143 PolarHBondContact NE1-OG1 2.84Å; W130-V146 HydrophobicContact CB-CG2 4.23Å; W130-V146 HydrophobicContact CG-CG2 4.27Å
131	Q	46.8	Very low	48.3	Very low	85 Å²	85	66.5 Å²	66.5	40%	0.397	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.2	172.5	-165.5	-176.7	-8.5	0	0	108.1	Y144 G145	Q131-Y144 HydrophobicContact CG-CD2 4.19Å; Q131-Y144 WeakPolarHBondContact O-CA 3.45Å; Q131-Y144 WeakPolarHBondContact O-CB 3.24Å; Q131-Y144 PolarHBondContact O-N 3.44Å; Q131-G145 PolarHBondContact N-O 3.2Å; Q131-G145 PolarHBondContact O-N 3.24Å
132	G	50.3	Low	48.9	Very low	13 Å²	13	65 Å²	65	13%	0.134	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	175.4	-179.7	0	0	0	0	0	111	W130 H142	W130-G132 VanDerWaalsContact CZ2-CA 3.46Å; G132-H142 CarbonylContact C-O 3.59Å; G132-H142 VanDerWaalsContact C-O 3.32Å; G132-H142 WeakPolarHBondContact CA-O 3.32Å
133	S	48	Very low	49.6	Very low	14 Å²	14	58.6 Å²	58.6	10%	0.098	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.6	165.8	66.4	0	0	0	0	109.7	E141 H142	S133-E141 PolarHBondContact O-N 2.81Å; S133-H142 PolarHBondContact N-O 3.11Å; S133-H142 PolarHBondContact O-N 3.41Å; S133-H142 WeakPolarHBondContact OG-CB 3.49Å; S133-H142 PolarHBondContact OG-CD2 2.68Å; S133-H142 VanDerWaalsContact OG-CD2 3.31Å; S133-H142 PolarHBondContact OG-N 2.7Å
134	V	53.1	Low	50.1	Low	55 Å²	55	62.8 Å²	62.8	33%	0.333	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.4	169.7	-68.8	0	0	0	0	108.8	V38 W130 K139	V38-V134 HydrophobicContact CB-CG1 4.43Å; W130-V134 HydrophobicContact CH2-CG1 4.07Å; V134-K139 CarbonylContact C-O 3.57Å; V134-K139 WeakPolarHBondContact CA-O 3.49Å
135	D	62.4	Low	50	Low	48 Å²	48	55.6 Å²	55.6	26%	0.257	29%	0.286	S	S	.	.			trans	-70.8	173.3	169.9	78.3	-4.2	0	0	0	110.5	N137 D138 K139 E141	D135-N137 PolarHBondContact O-N 3.15Å; D135-N137 VanDerWaalsContact OD1-C 3.28Å; D135-N137 VanDerWaalsContact OD1-CA 3.27Å; D135-N137 WeakPolarHBondContact OD1-CA 3.35Å; D135-N137 WeakPolarHBondContact OD1-CB 3.13Å; D135-N137 PolarHBondContact OD1-N 3.43Å; D135-D138 PolarHBondContact O-N 3.16Å; D135-D138 PolarHBondContact OD1-N 3.13Å; D135-K139 PolarHBondContact N-O 3.28Å; D135-K139 WeakPolarHBondContact OD1-CA 3.32Å; D135-K139 WeakPolarHBondContact OD1-CB 3.36Å; D135-K139 PolarHBondContact OD1-N 2.75Å; D135-E141 HydrophobicContact CB-CB 4.49Å
136	N	61.3	Low	50.3	Low	170 Å²	170	54.4 Å²	54.4	91%	0.909	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	0.1	177.5	-63	-15.2	0	0	0	114.5
137	N	57.9	Low	50.3	Low	99 Å²	99	55.5 Å²	55.5	53%	0.529	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	14	175.9	-57	-63.6	0	0	0	112.8	K37 D135 K139	K37-N137 PolarHBondContact NZ-O 2.66Å; D135-N137 PolarHBondContact O-N 3.15Å; D135-N137 VanDerWaalsContact OD1-C 3.28Å; D135-N137 VanDerWaalsContact OD1-CA 3.27Å; D135-N137 WeakPolarHBondContact OD1-CA 3.35Å; D135-N137 WeakPolarHBondContact OD1-CB 3.13Å; D135-N137 PolarHBondContact OD1-N 3.43Å; N137-K139 PolarHBondContact O-N 2.81Å
138	D	51.1	Low	50.4	Low	32 Å²	32	54.5 Å²	54.5	17%	0.171	29%	0.286	C	S	.	.	S	Bend	trans	64.6	22.3	-177.4	-35.5	-59.4	0	0	0	113.9	K37 V38 T40 D135	K37-D138 HydrophobicContact CB-CB 4.48Å; K37-D138 IonicContact NZ-OD2 3.45Å; K37-D138 PolarHBondContact NZ-OD2 2.83Å; V38-D138 PolarHBondContact N-O 2.86Å; V38-D138 WeakPolarHBondContact O-CB 3.46Å; T40-D138 HydrophobicContact CG2-CB 4.37Å; T40-D138 WeakPolarHBondContact CG2-OD1 3.24Å; D135-D138 PolarHBondContact O-N 3.16Å; D135-D138 PolarHBondContact OD1-N 3.13Å
139	K	50	Low	50.4	Low	128 Å²	128	57.8 Å²	57.8	56%	0.557	30%	0.299	S	S	*	.			trans	-91.8	138.2	172.7	-65	-173.2	172.9	-174.6	0	109.6	V134 D135 N137 E141	V134-K139 CarbonylContact C-O 3.57Å; V134-K139 WeakPolarHBondContact CA-O 3.49Å; D135-K139 PolarHBondContact N-O 3.28Å; D135-K139 WeakPolarHBondContact OD1-CA 3.32Å; D135-K139 WeakPolarHBondContact OD1-CB 3.36Å; D135-K139 PolarHBondContact OD1-N 2.75Å; N137-K139 PolarHBondContact O-N 2.81Å; K139-E141 PolarHBondContact O-N 2.94Å
140	V	52.5	Low	50.4	Low	22 Å²	22	57.2 Å²	57.2	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	111.9	178.3	176.8	0	0	0	0	109.3	L26 V38 W130 T143	L26-V140 HydrophobicContact CD2-CB 4.31Å; L26-V140 HydrophobicContact CD2-CG1 4.26Å; L26-V140 HydrophobicContact CD2-CG2 3.23Å; L26-V140 HydrophobicContact CG-CG2 3.98Å; V38-V140 HydrophobicContact CG2-CG2 3.68Å; W130-V140 HydrophobicContact CZ2-CG1 3.96Å; W130-V140 HydrophobicContact CZ2-CG2 4.06Å; V140-T143 WeakPolarHBondContact CG1-OG1 3.22Å
141	E	52.5	Low	50.1	Low	107 Å²	107	61.9 Å²	61.9	50%	0.5	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-46.2	176.8	-174.4	-175.7	-151.9	0	0	109.6	S133 D135 K139	S133-E141 PolarHBondContact O-N 2.81Å; D135-E141 HydrophobicContact CB-CB 4.49Å; K139-E141 PolarHBondContact O-N 2.94Å
142	H	46	Very low	50.1	Low	69 Å²	69	60.7 Å²	60.7	32%	0.319	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.2	176.5	-58.7	-48.6	0	0	0	110.7	T19 G132 S133 Y144	T19-H142 WeakPolarHBondContact CG2-ND1 3.14Å; G132-H142 CarbonylContact C-O 3.59Å; G132-H142 VanDerWaalsContact C-O 3.32Å; G132-H142 WeakPolarHBondContact CA-O 3.32Å; S133-H142 PolarHBondContact N-O 3.11Å; S133-H142 PolarHBondContact O-N 3.41Å; S133-H142 WeakPolarHBondContact OG-CB 3.49Å; S133-H142 PolarHBondContact OG-CD2 2.68Å; S133-H142 VanDerWaalsContact OG-CD2 3.31Å; S133-H142 PolarHBondContact OG-N 2.7Å; H142-Y144 HydrophobicContact CB-CD1 4.42Å; H142-Y144 HydrophobicContact CB-CE1 3.79Å
143	T	50.8	Low	49.7	Very low	32 Å²	32	65.5 Å²	65.5	20%	0.196	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.4	164.2	-69.1	0	0	0	0	108.2	W130 V140	W130-T143 PolarHBondContact NE1-OG1 2.84Å; V140-T143 WeakPolarHBondContact CG1-OG1 3.22Å
144	Y	43.7	Very low	49.2	Very low	114 Å²	114	72.1 Å²	72.1	45%	0.447	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-31.6	177.4	-55.5	-53.8	0	0	0	111.6	Q131 H142	Q131-Y144 HydrophobicContact CG-CD2 4.19Å; Q131-Y144 WeakPolarHBondContact O-CA 3.45Å; Q131-Y144 WeakPolarHBondContact O-CB 3.24Å; Q131-Y144 PolarHBondContact O-N 3.44Å; H142-Y144 HydrophobicContact CB-CD1 4.42Å; H142-Y144 HydrophobicContact CB-CE1 3.79Å
145	G	41.5	Very low	49	Very low	18 Å²	18	78.6 Å²	78.6	19%	0.186	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	164.2	174.4	0	0	0	0	0	114.3	Q131	Q131-G145 PolarHBondContact N-O 3.2Å; Q131-G145 PolarHBondContact O-N 3.24Å
146	V	46.9	Very low	48.5	Very low	43 Å²	43	78.2 Å²	78.2	26%	0.261	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.6	166.7	177.9	0	0	0	0	107.7	C128 T129 W130	C128-V146 HydrophobicContact CB-CG1 4.12Å; T129-V146 CarbonylContact O-C 3.52Å; T129-V146 WeakPolarHBondContact O-CA 3.37Å; W130-V146 HydrophobicContact CB-CG2 4.23Å; W130-V146 HydrophobicContact CG-CG2 4.27Å
147	V	46.6	Very low	48.2	Very low	35 Å²	35	79.4 Å²	79.4	21%	0.212	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	103.3	-178.3	163.9	0	0	0	0	107.5	C128 T129 Y149 L161	C128-V147 CarbonylContact C-O 3.59Å; C128-V147 VanDerWaalsContact CA-O 3.25Å; C128-V147 WeakPolarHBondContact CA-O 3.08Å; T129-V147 PolarHBondContact N-O 2.94Å; T129-V147 PolarHBondContact O-N 2.87Å; V147-Y149 HydrophobicContact CG1-CD2 4.37Å; V147-Y149 HydrophobicContact CG1-CE1 4.35Å; V147-Y149 HydrophobicContact CG1-CE2 3.61Å; V147-L161 HydrophobicContact CB-CD1 3.54Å; V147-L161 HydrophobicContact CG1-CD1 3.22Å; V147-L161 HydrophobicContact CG2-CD1 3.5Å; V147-L161 VanDerWaalsContact CG2-CD1 3.5Å
148	C	46.7	Very low	48.2	Very low	16 Å²	16	74.9 Å²	74.9	11%	0.108	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147	174.6	-59.4	0	0	0	0	111.5	T127 C128 L161 L162	T127-C148 CarbonylContact O-C 3.59Å; T127-C148 WeakPolarHBondContact O-CA 3.18Å; C128-C148 HydrophobicContact CB-CB 3.98Å; C128-C148 WeakPolarHBondContact CB-SG 3.5Å; C128-C148 WeakPolarHBondContact SG-CB 3.12Å; C128-C148 CovalentContact SG-SG 2.03Å; C128-C148 PolarHBondContact SG-SG 3.01Å; C148-L161 CarbonylContact O-C 3.51Å; C148-L161 VanDerWaalsContact O-CA 3.31Å; C148-L161 WeakPolarHBondContact O-CA 3.28Å; C148-L162 HydrophobicContact CB-CB 3.83Å; C148-L162 HydrophobicContact CB-CD1 3.35Å; C148-L162 HydrophobicContact CB-CG 3.52Å; C148-L162 PolarHBondContact O-N 3.35Å
149	Y	47.8	Very low	48.7	Very low	73 Å²	73	76.8 Å²	76.8	29%	0.286	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.9	176.2	-62.6	-78.4	0	0	0	109.6	A126 T127 V147 H159 R160	A126-Y149 CarbonylContact C-O 3.56Å; A126-Y149 WeakPolarHBondContact CA-O 3.16Å; T127-Y149 PolarHBondContact N-O 2.69Å; T127-Y149 PolarHBondContact O-N 2.9Å; V147-Y149 HydrophobicContact CG1-CD2 4.37Å; V147-Y149 HydrophobicContact CG1-CE1 4.35Å; V147-Y149 HydrophobicContact CG1-CE2 3.61Å; Y149-H159 HydrophobicContact CD1-CB 3.93Å; Y149-R160 WeakPolarHBondContact CA-O 3.14Å
150	G	48.1	Very low	49.5	Very low	22 Å²	22	72.8 Å²	72.8	23%	0.227	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	151.7	168.8	0	0	0	0	0	112.2
151	Y	48.8	Very low	50.2	Low	105 Å²	105	72 Å²	72	41%	0.412	34%	0.34	S	S	.	.			trans	-95.6	141	170.9	-61	-98	0	0	0	110.8	Y125 H159	Y125-Y151 WeakPolarHBondContact O-CD2 3.32Å; Y125-Y151 PolarHBondContact O-N 2.73Å; Y151-H159 AromaticContact CD1-CE1 3.94Å; Y151-H159 AromaticContact CE1-CE1 3.4Å; Y151-H159 VanDerWaalsContact CE1-CE1 3.4Å; Y151-H159 WeakPolarHBondContact CE1-CE1 3.5Å; Y151-H159 AromaticContact CZ-CE1 3.91Å
152	W	46.2	Very low	50.6	Low	59 Å²	59	71.2 Å²	71.2	22%	0.223	34%	0.338	C	S	.	.			trans	-125	106.6	178	-168.7	86.6	0	0	0	111.5	L158 L232 M334	W152-L158 HydrophobicContact CB-CB 4.25Å; W152-L158 HydrophobicContact CE3-CD1 3.97Å; W152-L158 HydrophobicContact CZ3-CD1 4.49Å; W152-L232 HydrophobicContact CH2-CD1 4.31Å; W152-L232 HydrophobicContact CZ3-CD1 4.02Å; W152-M334 HydrophobicContact CH2-CE 4.39Å; W152-M334 HydrophobicContact CZ2-CB 3.61Å; W152-M334 HydrophobicContact CZ2-CE 3.22Å; W152-M334 HydrophobicContact CZ2-CG 4.37Å; W152-M334 HydrophobicContact CZ2-SD 4.06Å; W152-M334 PolarHBondContact NE1-SD 3.2Å
153	N	41	Very low	51.2	Low	115 Å²	115	69.1 Å²	69.1	62%	0.615	33%	0.333	S	S	*	.			trans	58.4	152	177.9	-79.9	-7.6	0	0	0	117	E155	N153-E155 VanDerWaalsContact C-N 3.31Å; N153-E155 PolarHBondContact O-N 3.44Å
154	Q	39.3	Very low	51.5	Low	152 Å²	152	70.2 Å²	70.2	71%	0.71	34%	0.341	S	S	*	.	S	Bend	trans	-70.5	-25.7	-175.6	-66.9	-175.2	-9.2	0	0	113.3
155	E	47.5	Very low	51.9	Low	192 Å²	192	74 Å²	74	90%	0.897	36%	0.36	S	S	*	.	S	Bend	trans	-82.6	-28.5	-174.9	-66.4	-179.6	176	0	0	113.3	N153	N153-E155 VanDerWaalsContact C-N 3.31Å; N153-E155 PolarHBondContact O-N 3.44Å
156	V	52.3	Low	52.6	Low	40 Å²	40	78 Å²	78	24%	0.242	38%	0.377	C	S	.	.	S	Bend	trans	-138.5	96.7	-178	-170.4	0	0	0	0	110.5	L158 Y182 L232	V156-L158 VanDerWaalsContact C-N 3.31Å; V156-L158 HydrophobicContact CB-CD1 4.43Å; V156-L158 HydrophobicContact CG1-CD1 3.85Å; V156-L158 HydrophobicContact CG1-CG 3.87Å; V156-L158 PolarHBondContact O-N 3.17Å; V156-Y182 HydrophobicContact CG1-CE2 4.42Å; V156-Y182 WeakPolarHBondContact CG1-OH 3.47Å; V156-L232 HydrophobicContact CG1-CD2 4.44Å
157	R	54.5	Low	53.5	Low	194 Å²	194	78.8 Å²	78.8	73%	0.732	38%	0.377	S	S	*	.			trans	-68.4	84.5	177.6	-63.5	-178.2	-176.5	179.8	0.1	111.5
158	L	58.1	Low	54.5	Low	5 Å²	5	80.8 Å²	80.8	3%	0.026	38%	0.383	C	S	.	.			trans	-90.7	110.7	174.6	-80.3	152.6	0	0	0	110.2	W152 V156 Y182 I227 L232	W152-L158 HydrophobicContact CB-CB 4.25Å; W152-L158 HydrophobicContact CE3-CD1 3.97Å; W152-L158 HydrophobicContact CZ3-CD1 4.49Å; V156-L158 VanDerWaalsContact C-N 3.31Å; V156-L158 HydrophobicContact CB-CD1 4.43Å; V156-L158 HydrophobicContact CG1-CD1 3.85Å; V156-L158 HydrophobicContact CG1-CG 3.87Å; V156-L158 PolarHBondContact O-N 3.17Å; L158-Y182 HydrophobicContact CD2-CD1 3.51Å; L158-Y182 HydrophobicContact CD2-CD2 3.57Å; L158-Y182 HydrophobicContact CD2-CE1 3.62Å; L158-Y182 HydrophobicContact CD2-CE2 3.69Å; L158-Y182 HydrophobicContact CD2-CG 3.46Å; L158-Y182 VanDerWaalsContact CD2-CG 3.46Å; L158-Y182 HydrophobicContact CG-CE1 4.48Å; L158-Y182 HydrophobicContact CG-CE2 4.26Å; L158-I227 HydrophobicContact CD2-CD1 3.37Å; L158-L232 HydrophobicContact CD1-CD1 3.98Å; L158-L232 HydrophobicContact CD1-CG 4.25Å
159	H	62.2	Low	56.1	Low	72 Å²	72	82.8 Å²	82.8	33%	0.333	39%	0.391	S	S	.	.			trans	-87.3	122	173.5	-65	-87.8	0	0	0	109.8	Y149 Y151 P180	Y149-H159 HydrophobicContact CD1-CB 3.93Å; Y151-H159 AromaticContact CD1-CE1 3.94Å; Y151-H159 AromaticContact CE1-CE1 3.4Å; Y151-H159 VanDerWaalsContact CE1-CE1 3.4Å; Y151-H159 WeakPolarHBondContact CE1-CE1 3.5Å; Y151-H159 AromaticContact CZ-CE1 3.91Å; H159-P180 WeakPolarHBondContact O-CG 3.44Å
160	R	67.5	Low	57.7	Low	43 Å²	43	81.9 Å²	81.9	16%	0.162	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.6	177.8	-68.3	176.4	174.3	-86.8	-2	111.2	Y149 L162 T225 G226 I227 M334 N336	Y149-R160 WeakPolarHBondContact CA-O 3.14Å; R160-L162 PolarHBondContact O-N 2.98Å; R160-T225 PolarHBondContact NH1-O 2.79Å; R160-T225 VanDerWaalsContact NH1-O 3.12Å; R160-G226 CarbonylContact C-O 3.55Å; R160-G226 VanDerWaalsContact CA-O 3.29Å; R160-G226 WeakPolarHBondContact CA-O 3.45Å; R160-I227 HydrophobicContact CG-CB 4.26Å; R160-I227 HydrophobicContact CG-CG2 4.45Å; R160-I227 VanDerWaalsContact NH1-CG2 3.26Å; R160-M334 PolarHBondContact NH2-O 2.77Å; R160-N336 VanDerWaalsContact CZ-O 3.28Å; R160-N336 PolarHBondContact NH1-O 3.17Å; R160-N336 PolarHBondContact NH2-O 3.42Å
161	L	66.1	Low	59.1	Low	7 Å²	7	88.2 Å²	88.2	4%	0.037	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	108.8	167.9	167.9	60.1	0	0	0	110.9	V147 C148 A163 Y177 P179 G226	V147-L161 HydrophobicContact CB-CD1 3.54Å; V147-L161 HydrophobicContact CG1-CD1 3.22Å; V147-L161 HydrophobicContact CG2-CD1 3.5Å; V147-L161 VanDerWaalsContact CG2-CD1 3.5Å; C148-L161 CarbonylContact O-C 3.51Å; C148-L161 VanDerWaalsContact O-CA 3.31Å; C148-L161 WeakPolarHBondContact O-CA 3.28Å; L161-A163 PolarHBondContact O-N 3.48Å; L161-Y177 HydrophobicContact CD2-CD2 3.5Å; L161-Y177 HydrophobicContact CD2-CE2 3.63Å; L161-Y177 HydrophobicContact CD2-CG 4.38Å; L161-Y177 HydrophobicContact CG-CD2 4.13Å; L161-Y177 HydrophobicContact CG-CE2 3.9Å; L161-P179 HydrophobicContact CB-CB 4.07Å; L161-P179 HydrophobicContact CD2-CB 4.08Å; L161-G226 PolarHBondContact N-O 3.32Å; L161-G226 WeakPolarHBondContact O-CA 3.46Å
162	L	60.6	Low	60.2	Low	89 Å²	89	87.3 Å²	87.3	47%	0.466	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66	124	176.3	-60	-170.8	0	0	0	110.2	C148 R160	C148-L162 HydrophobicContact CB-CB 3.83Å; C148-L162 HydrophobicContact CB-CD1 3.35Å; C148-L162 HydrophobicContact CB-CG 3.52Å; C148-L162 PolarHBondContact O-N 3.35Å; R160-L162 PolarHBondContact O-N 2.98Å
163	A	58.5	Low	61.2	Low	26 Å²	26	93 Å²	93	22%	0.215	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-90.6	135	164.4	0	0	0	0	0	108.6	L161 L174 Y177 R224	L161-A163 PolarHBondContact O-N 3.48Å; A163-L174 HydrophobicContact CB-CD2 4.19Å; A163-Y177 HydrophobicContact CB-CE2 4.14Å; A163-R224 HydrophobicContact CB-CB 3.9Å
164	P	57.4	Low	62.4	Low	55 Å²	55	89.7 Å²	89.7	36%	0.357	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-50.7	142.4	169.4	-27	34.7	0	0	0	111.1	D166 K167 K168	P164-D166 VanDerWaalsContact C-N 3.26Å; P164-D166 WeakPolarHBondContact CB-OD1 3.34Å; P164-D166 PolarHBondContact O-N 3.44Å; P164-K167 HydrophobicContact CB-CB 4.16Å; P164-K167 HydrophobicContact CB-CG 4.07Å; P164-K167 HydrophobicContact CG-CB 4.48Å; P164-K167 HydrophobicContact CG-CG 4.37Å; P164-K167 CarbonylContact O-C 3.49Å; P164-K167 WeakPolarHBondContact O-CA 3.4Å; P164-K167 PolarHBondContact O-N 3.25Å; P164-K168 PolarHBondContact O-N 3.27Å
165	F	51.8	Low	63.4	Low	192 Å²	192	90.3 Å²	90.3	84%	0.842	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-58.4	-39	-172.8	-177.1	-94.9	0	0	0	112.4	K167 K168	F165-K167 VanDerWaalsContact C-N 3.27Å; F165-K167 PolarHBondContact O-N 2.65Å; F165-K168 WeakPolarHBondContact O-CB 3.36Å; F165-K168 PolarHBondContact O-N 3.41Å
166	D	56.4	Low	64.3	Low	102 Å²	102	85 Å²	85	55%	0.545	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-71.4	-17.2	175.6	69.2	-48.8	0	0	0	113.5	P164 Q172	P164-D166 VanDerWaalsContact C-N 3.26Å; P164-D166 WeakPolarHBondContact CB-OD1 3.34Å; P164-D166 PolarHBondContact O-N 3.44Å; D166-Q172 WeakPolarHBondContact O-CG 3.38Å
167	K	65.9	Low	65.1	Low	60 Å²	60	83.9 Å²	83.9	26%	0.261	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-106.8	11.3	176.4	-55	-59.4	178.5	-171.8	0	113.1	P164 F165 Q169 Q172 L174 R224	P164-K167 HydrophobicContact CB-CB 4.16Å; P164-K167 HydrophobicContact CB-CG 4.07Å; P164-K167 HydrophobicContact CG-CB 4.48Å; P164-K167 HydrophobicContact CG-CG 4.37Å; P164-K167 CarbonylContact O-C 3.49Å; P164-K167 WeakPolarHBondContact O-CA 3.4Å; P164-K167 PolarHBondContact O-N 3.25Å; F165-K167 VanDerWaalsContact C-N 3.27Å; F165-K167 PolarHBondContact O-N 2.65Å; K167-Q169 VanDerWaalsContact C-N 3.33Å; K167-Q169 PolarHBondContact O-N 2.93Å; K167-Q172 HydrophobicContact CD-CB 4.01Å; K167-L174 HydrophobicContact CB-CD1 4.41Å; K167-L174 HydrophobicContact CB-CD2 4.33Å; K167-L174 HydrophobicContact CG-CD1 4.45Å; K167-R224 PolarHBondContact O-NH1 3.38Å
168	K	68.4	Low	65.8	Low	77 Å²	77	78 Å²	78	34%	0.335	39%	0.388	S	S	.	.			trans	-64.1	-38.2	179.6	-169	-177.5	-178.5	-164.4	0	112.2	P164 F165 L222 G223 R224	P164-K168 PolarHBondContact O-N 3.27Å; F165-K168 WeakPolarHBondContact O-CB 3.36Å; F165-K168 PolarHBondContact O-N 3.41Å; K168-L222 WeakPolarHBondContact CE-O 3.09Å; K168-L222 PolarHBondContact NZ-O 3.35Å; K168-G223 CarbonylContact O-C 3.3Å; K168-G223 VanDerWaalsContact O-CA 3.28Å; K168-G223 WeakPolarHBondContact O-CA 3.4Å; K168-R224 WeakPolarHBondContact O-CB 3.27Å; K168-R224 WeakPolarHBondContact O-CG 3.43Å; K168-R224 PolarHBondContact O-N 2.76Å
169	Q	78.8	Confident	66.6	Low	59 Å²	59	78.1 Å²	78.1	28%	0.276	39%	0.389	S	S	.	.	S	Bend	trans	-75.3	138.4	-176	-65.1	-59.5	-31	0	0	112.5	K167 Q171 Q172 R224	K167-Q169 VanDerWaalsContact C-N 3.33Å; K167-Q169 PolarHBondContact O-N 2.93Å; Q169-Q171 PolarHBondContact O-N 3.45Å; Q169-Q171 VanDerWaalsContact O-N 3.17Å; Q169-Q172 HydrophobicContact CB-CG 4.38Å; Q169-Q172 WeakPolarHBondContact O-CB 3.43Å; Q169-Q172 PolarHBondContact O-N 2.97Å; Q169-R224 PolarHBondContact O-NH1 3.5Å
170	W	81.4	Confident	67.1	Low	53 Å²	53	76.9 Å²	76.9	20%	0.201	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.5	-174	-65.5	111.2	0	0	0	114	Q172 Y177 L219 N220 R224 D338	W170-Q172 PolarHBondContact O-N 2.91Å; W170-Y177 HydrophobicContact CH2-CE1 4.07Å; W170-Y177 HydrophobicContact CZ3-CD1 4.31Å; W170-Y177 HydrophobicContact CZ3-CE1 4.04Å; W170-L219 HydrophobicContact CB-CD1 4.42Å; W170-L219 HydrophobicContact CD2-CB 4.3Å; W170-L219 HydrophobicContact CD2-CD1 4.05Å; W170-L219 HydrophobicContact CD2-CD2 3.92Å; W170-L219 HydrophobicContact CD2-CG 4.33Å; W170-L219 HydrophobicContact CE3-CD1 4.38Å; W170-L219 HydrophobicContact CE3-CD2 3.95Å; W170-L219 HydrophobicContact CG-CB 4.38Å; W170-L219 HydrophobicContact CG-CD1 4.04Å; W170-L219 HydrophobicContact CH2-CD2 3.77Å; W170-L219 HydrophobicContact CZ2-CB 4.38Å; W170-L219 HydrophobicContact CZ2-CD2 3.73Å; W170-L219 HydrophobicContact CZ3-CD2 3.87Å; W170-N220 PolarHBondContact NE1-O 3.38Å; W170-R224 HydrophobicContact CD2-CG 4.31Å; W170-R224 HydrophobicContact CE3-CG 3.89Å; W170-R224 HydrophobicContact CH2-CG 3.76Å; W170-R224 HydrophobicContact CZ2-CG 4.18Å; W170-R224 HydrophobicContact CZ3-CG 3.61Å; W170-R224 PolarHBondContact O-NH2 3.36Å; W170-D338 HydrophobicContact CH2-CB 3.81Å; W170-D338 HydrophobicContact CZ2-CB 4.01Å
171	Q	78.5	Confident	67.6	Low	155 Å²	155	79.3 Å²	79.3	72%	0.724	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.1	178.2	-56.1	83	-0.7	0	0	112.6	Q169	Q169-Q171 PolarHBondContact O-N 3.45Å; Q169-Q171 VanDerWaalsContact O-N 3.17Å
172	Q	71.8	Confident	68	Low	86 Å²	86	81.8 Å²	81.8	40%	0.402	41%	0.412	S	S	.	.	S	Bend	trans	-79.3	127.2	174.7	-59.7	-65.3	-29.4	0	0	109.5	D166 K167 Q169 W170 L174 R224	D166-Q172 WeakPolarHBondContact O-CG 3.38Å; K167-Q172 HydrophobicContact CD-CB 4.01Å; Q169-Q172 HydrophobicContact CB-CG 4.38Å; Q169-Q172 WeakPolarHBondContact O-CB 3.43Å; Q169-Q172 PolarHBondContact O-N 2.97Å; W170-Q172 PolarHBondContact O-N 2.91Å; Q172-L174 PolarHBondContact O-N 3.4Å; Q172-R224 PolarHBondContact O-NH1 3.39Å; Q172-R224 VanDerWaalsContact O-NH1 3.11Å; Q172-R224 PolarHBondContact O-NH2 2.78Å
173	K	67.9	Low	68.7	Low	179 Å²	179	81.9 Å²	81.9	78%	0.778	41%	0.41	S	S	*	.			trans	-69.1	124.6	174.9	-67.6	-174	178	-175.3	0	109.5
174	L	66.6	Low	69.2	Low	45 Å²	45	84.6 Å²	84.6	24%	0.236	42%	0.42	C	S	.	.			trans	-134.7	92.2	171.1	-175.1	62.2	0	0	0	106.6	A163 K167 Q172 L176 Y177	A163-L174 HydrophobicContact CB-CD2 4.19Å; K167-L174 HydrophobicContact CB-CD1 4.41Å; K167-L174 HydrophobicContact CB-CD2 4.33Å; K167-L174 HydrophobicContact CG-CD1 4.45Å; Q172-L174 PolarHBondContact O-N 3.4Å; L174-L176 VanDerWaalsContact C-N 3.28Å; L174-L176 PolarHBondContact O-N 2.92Å; L174-Y177 HydrophobicContact CD2-CD2 3.57Å; L174-Y177 HydrophobicContact CD2-CE2 4.46Å; L174-Y177 HydrophobicContact CD2-CG 3.91Å; L174-Y177 HydrophobicContact CG-CD2 4.5Å; L174-Y177 HydrophobicContact CG-CG 4.5Å; L174-Y177 WeakPolarHBondContact O-CB 3.49Å; L174-Y177 PolarHBondContact O-N 3.29Å
175	L	60.2	Low	69.1	Low	165 Å²	165	89.6 Å²	89.6	86%	0.864	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.5	-163.6	-68.5	170.8	0	0	0	113
176	L	64.7	Low	68.9	Low	82 Å²	82	82.8 Å²	82.8	43%	0.429	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	21.8	-176	-58.5	175.4	0	0	0	113.1	L174 A178	L174-L176 VanDerWaalsContact C-N 3.28Å; L174-L176 PolarHBondContact O-N 2.92Å; L176-A178 VanDerWaalsContact C-N 3.32Å; L176-A178 PolarHBondContact O-N 2.99Å
177	Y	69.6	Low	68.1	Low	15 Å²	15	82.7 Å²	82.7	6%	0.059	43%	0.427	C	S	.	.			trans	-73.6	85.4	-179.1	-169.6	-115.8	0	0	0	111.8	L161 A163 W170 L174 P179 R211 R224 T225 G226 D338	L161-Y177 HydrophobicContact CD2-CD2 3.5Å; L161-Y177 HydrophobicContact CD2-CE2 3.63Å; L161-Y177 HydrophobicContact CD2-CG 4.38Å; L161-Y177 HydrophobicContact CG-CD2 4.13Å; L161-Y177 HydrophobicContact CG-CE2 3.9Å; A163-Y177 HydrophobicContact CB-CE2 4.14Å; W170-Y177 HydrophobicContact CH2-CE1 4.07Å; W170-Y177 HydrophobicContact CZ3-CD1 4.31Å; W170-Y177 HydrophobicContact CZ3-CE1 4.04Å; L174-Y177 HydrophobicContact CD2-CD2 3.57Å; L174-Y177 HydrophobicContact CD2-CE2 4.46Å; L174-Y177 HydrophobicContact CD2-CG 3.91Å; L174-Y177 HydrophobicContact CG-CD2 4.5Å; L174-Y177 HydrophobicContact CG-CG 4.5Å; L174-Y177 WeakPolarHBondContact O-CB 3.49Å; L174-Y177 PolarHBondContact O-N 3.29Å; Y177-P179 HydrophobicContact CD1-CG 4.22Å; Y177-P179 HydrophobicContact CE1-CB 4.48Å; Y177-P179 HydrophobicContact CE1-CG 3.67Å; Y177-P179 HydrophobicContact CE2-CB 4.43Å; Y177-P179 HydrophobicContact CE2-CG 4.4Å; Y177-P179 WeakPolarHBondContact O-CD 3.15Å; Y177-R211 PolarHBondContact O-NH2 2.84Å; Y177-R224 HydrophobicContact CD1-CG 3.95Å; Y177-R224 HydrophobicContact CE1-CB 3.93Å; Y177-R224 VanDerWaalsContact CE1-CD 3.49Å; Y177-R224 HydrophobicContact CE1-CG 3.44Å; Y177-R224 VanDerWaalsContact CE1-CG 3.44Å; Y177-R224 HydrophobicContact CE2-CB 4.13Å; Y177-R224 HydrophobicContact CE2-CG 4.25Å; Y177-R224 WeakPolarHBondContact OH-CB 3.44Å; Y177-T225 PolarHBondContact OH-N 2.95Å; Y177-G226 VanDerWaalsContact OH-CA 3.22Å; Y177-G226 WeakPolarHBondContact OH-CA 3.46Å; Y177-G226 PolarHBondContact OH-N 2.95Å; Y177-D338 WeakPolarHBondContact CE1-OD2 3.38Å; Y177-D338 PolarHBondContact OH-OD1 3.07Å; Y177-D338 PolarHBondContact OH-OD2 3.47Å; Y177-D338 VanDerWaalsContact OH-OD2 3.08Å
178	A	69.5	Low	66.8	Low	72 Å²	72	88.4 Å²	88.4	60%	0.595	45%	0.454	S	S	*	.			trans	-116	69.8	178.2	0	0	0	0	0	111	L176	L176-A178 VanDerWaalsContact C-N 3.32Å; L176-A178 PolarHBondContact O-N 2.99Å
179	P	75.5	Confident	65.3	Low	7 Å²	7	93.4 Å²	93.4	5%	0.045	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-65	145.2	-180	28.5	-36.5	0	0	0	111	L161 Y177 R211 G226 C228 D338	L161-P179 HydrophobicContact CB-CB 4.07Å; L161-P179 HydrophobicContact CD2-CB 4.08Å; Y177-P179 HydrophobicContact CD1-CG 4.22Å; Y177-P179 HydrophobicContact CE1-CB 4.48Å; Y177-P179 HydrophobicContact CE1-CG 3.67Å; Y177-P179 HydrophobicContact CE2-CB 4.43Å; Y177-P179 HydrophobicContact CE2-CG 4.4Å; Y177-P179 WeakPolarHBondContact O-CD 3.15Å; P179-R211 VanDerWaalsContact CD-NH1 3.31Å; P179-R211 VanDerWaalsContact CG-NH1 3.28Å; P179-G226 VanDerWaalsContact CB-O 3.31Å; P179-G226 WeakPolarHBondContact CB-O 3.49Å; P179-C228 HydrophobicContact CG-CB 4.18Å; P179-C228 PolarHBondContact O-SG 3.08Å; P179-D338 VanDerWaalsContact CG-OD2 3.3Å; P179-D338 WeakPolarHBondContact CG-OD2 2.84Å
180	P	71.3	Confident	63.6	Low	45 Å²	45	93.4 Å²	93.4	29%	0.292	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-58.1	143.7	177.3	24	-34	0	0	0	111.4	H159 G226 I227 C228	H159-P180 WeakPolarHBondContact O-CG 3.44Å; P180-G226 WeakPolarHBondContact CD-O 3.41Å; P180-I227 HydrophobicContact CG-CG1 4.48Å; P180-I227 WeakPolarHBondContact O-CG1 3.5Å; P180-C228 PolarHBondContact O-N 2.99Å; P180-C228 PolarHBondContact O-SG 2.91Å
181	L	78.6	Confident	61.5	Low	95 Å²	95	97.1 Å²	97.1	50%	0.497	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.3	170.4	176.5	65.4	0	0	0	109.1	Q183 C228	L181-Q183 HydrophobicContact CD1-CG 4.44Å; L181-C228 WeakPolarHBondContact CA-SG 3.45Å
182	Y	75.6	Confident	59.5	Low	58 Å²	58	92.9 Å²	92.9	23%	0.227	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129	171.9	-175	-81.6	0	0	0	111.2	V156 L158 I227 C228 K230 G231 L232	V156-Y182 HydrophobicContact CG1-CE2 4.42Å; V156-Y182 WeakPolarHBondContact CG1-OH 3.47Å; L158-Y182 HydrophobicContact CD2-CD1 3.51Å; L158-Y182 HydrophobicContact CD2-CD2 3.57Å; L158-Y182 HydrophobicContact CD2-CE1 3.62Å; L158-Y182 HydrophobicContact CD2-CE2 3.69Å; L158-Y182 HydrophobicContact CD2-CG 3.46Å; L158-Y182 VanDerWaalsContact CD2-CG 3.46Å; L158-Y182 HydrophobicContact CG-CE1 4.48Å; L158-Y182 HydrophobicContact CG-CE2 4.26Å; Y182-I227 HydrophobicContact CG-CD1 3.99Å; Y182-C228 PolarHBondContact N-O 3.42Å; Y182-K230 PolarHBondContact O-N 3.28Å; Y182-G231 PolarHBondContact O-N 3.12Å; Y182-L232 HydrophobicContact CE1-CD2 4.16Å
183	Q	73.4	Confident	57.9	Low	92 Å²	92	95.3 Å²	95.3	43%	0.43	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.6	171	-67.1	176.9	-19	0	0	107	L181 N185 Y236	L181-Q183 HydrophobicContact CD1-CG 4.44Å; Q183-N185 PolarHBondContact O-N 3.2Å; Q183-Y236 PolarHBondContact NE2-OH 3.16Å
184	I	68.9	Low	56.1	Low	83 Å²	83	90.3 Å²	90.3	43%	0.426	52%	0.516	S	S	.	.			trans	-64.9	129.2	173.7	-165.5	165.9	0	0	0	109.3	C186 G231 L232	I184-C186 VanDerWaalsContact C-N 3.33Å; I184-C186 PolarHBondContact O-N 3.09Å; I184-G231 PolarHBondContact N-O 3.05Å; I184-L232 HydrophobicContact CD1-CD2 4.16Å
185	N	56.6	Low	54.7	Low	159 Å²	159	97.4 Å²	97.4	85%	0.85	54%	0.54	S	S	*	.			trans	-68.8	94.7	170.2	-88.6	-9	0	0	0	107.9	Q183 S187	Q183-N185 PolarHBondContact O-N 3.2Å; N185-S187 PolarHBondContact O-N 2.87Å; N185-S187 VanDerWaalsContact O-N 3.16Å
186	C	47.5	Very low	53.8	Low	49 Å²	49	92.8 Å²	92.8	33%	0.331	52%	0.519	S	S	.	.			trans	-73.7	104.5	171.2	-67.4	0	0	0	0	110	I184 H188 C190	I184-C186 VanDerWaalsContact C-N 3.33Å; I184-C186 PolarHBondContact O-N 3.09Å; C186-H188 PolarHBondContact O-N 2.99Å; C186-C190 HydrophobicContact CB-CB 3.2Å; C186-C190 WeakPolarHBondContact CB-SG 3.08Å; C186-C190 WeakPolarHBondContact SG-CB 3.34Å; C186-C190 CovalentContact SG-SG 2.02Å; C186-C190 PolarHBondContact SG-SG 3.03Å
187	S	40.4	Very low	52.7	Low	101 Å²	101	96.7 Å²	96.7	71%	0.706	53%	0.529	S	S	*	.			trans	-69.2	109.8	162	57.3	0	0	0	0	109	N185 E189	N185-S187 PolarHBondContact O-N 2.87Å; N185-S187 VanDerWaalsContact O-N 3.16Å; S187-E189 PolarHBondContact O-N 3.04Å; S187-E189 VanDerWaalsContact O-N 3.16Å
188	H	36.7	Very low	51.7	Low	179 Å²	179	97.9 Å²	97.9	83%	0.829	54%	0.536	S	S	*	.	S	Bend	trans	70.2	-2.6	157.4	-74.3	-78.4	0	0	0	122	C186	C186-H188 PolarHBondContact O-N 2.99Å
189	E	38.1	Very low	50.8	Low	182 Å²	182	96.9 Å²	96.9	85%	0.85	52%	0.518	S	S	*	.	S	Bend	trans	-123.5	-15.1	174.5	-82.8	-176.7	163.7	0	0	116.4	S187 D191	S187-E189 PolarHBondContact O-N 3.04Å; S187-E189 VanDerWaalsContact O-N 3.16Å; E189-D191 VanDerWaalsContact C-N 3.28Å; E189-D191 PolarHBondContact O-N 3.28Å
190	C	43.4	Very low	49.5	Very low	60 Å²	60	101.9 Å²	101.9	41%	0.405	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-81.5	-6.6	177.8	-57.6	0	0	0	0	113.8	C186 G192	C186-C190 HydrophobicContact CB-CB 3.2Å; C186-C190 WeakPolarHBondContact CB-SG 3.08Å; C186-C190 WeakPolarHBondContact SG-CB 3.34Å; C186-C190 CovalentContact SG-SG 2.02Å; C186-C190 PolarHBondContact SG-SG 3.03Å; C190-G192 VanDerWaalsContact C-N 3.28Å; C190-G192 PolarHBondContact O-N 2.74Å
191	D	36.4	Very low	48.3	Very low	131 Å²	131	107 Å²	107	70%	0.701	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-83.5	1.9	-178	-68.2	-30.2	0	0	0	113.8	E189	E189-D191 VanDerWaalsContact C-N 3.28Å; E189-D191 PolarHBondContact O-N 3.28Å
192	G	36.8	Very low	46.9	Very low	65 Å²	65	109 Å²	109	67%	0.67	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-77	-14.8	177.4	0	0	0	0	0	115.2	C190	C190-G192 VanDerWaalsContact C-N 3.28Å; C190-G192 PolarHBondContact O-N 2.74Å
193	H	38.7	Very low	45.9	Very low	138 Å²	138	107.6 Å²	107.6	64%	0.639	56%	0.564	S	S	*	*	S	Bend	trans	-117.6	63.1	174.4	-70.4	-50.3	0	0	0	110.1	R195	H193-R195 CarbonylContact O-C 3.47Å; H193-R195 PolarHBondContact O-N 3.33Å
194	G	30.6	Very low	44.9	Very low	74 Å²	74	106.9 Å²	106.9	76%	0.763	57%	0.566	S	S	*	*			trans	-62.9	28	-178.9	0	0	0	0	0	117.4
195	R	35.4	Very low	44.2	Very low	194 Å²	194	113.7 Å²	113.7	73%	0.732	59%	0.586	S	S	*	*	S	Bend	trans	-145.1	115.6	156.1	-71.9	-171	177.1	167	-1.8	106.2	H193 Y197	H193-R195 CarbonylContact O-C 3.47Å; H193-R195 PolarHBondContact O-N 3.33Å; R195-Y197 VanDerWaalsContact C-N 3.26Å; R195-Y197 VanDerWaalsContact O-CD2 3.22Å; R195-Y197 WeakPolarHBondContact O-CD2 3.43Å; R195-Y197 PolarHBondContact O-N 2.97Å
196	T	42	Very low	44.3	Very low	68 Å²	68	114.5 Å²	114.5	42%	0.417	59%	0.585	S	S	.	*			trans	-51.5	99.8	160.1	-46.3	0	0	0	0	106.9	L198 Y236	T196-L198 HydrophobicContact CG2-CG 4.43Å; T196-L198 PolarHBondContact O-N 2.83Å; T196-Y236 HydrophobicContact CG2-CD2 3.52Å; T196-Y236 HydrophobicContact CG2-CE2 4.44Å; T196-Y236 HydrophobicContact CG2-CG 4.23Å
197	Y	41.8	Very low	44.9	Very low	164 Å²	164	115.6 Å²	115.6	64%	0.643	59%	0.585	S	S	*	*			trans	-73.1	82.3	166.6	-63.3	-83.7	0	0	0	104.6	R195 K199	R195-Y197 VanDerWaalsContact C-N 3.26Å; R195-Y197 VanDerWaalsContact O-CD2 3.22Å; R195-Y197 WeakPolarHBondContact O-CD2 3.43Å; R195-Y197 PolarHBondContact O-N 2.97Å; Y197-K199 PolarHBondContact O-N 2.92Å
198	L	48.1	Very low	45.7	Very low	39 Å²	39	112 Å²	112	20%	0.204	56%	0.557	C	S	.	*			trans	-52.2	103.2	144.3	-71.4	170.1	0	0	0	103.3	T196 Q200 L216 P218	T196-L198 HydrophobicContact CG2-CG 4.43Å; T196-L198 PolarHBondContact O-N 2.83Å; L198-Q200 HydrophobicContact CB-CG 3.98Å; L198-Q200 PolarHBondContact O-N 2.78Å; L198-L216 WeakPolarHBondContact CD1-O 3.47Å; L198-P218 HydrophobicContact CD2-CG 4.11Å
199	K	50	Low	46.8	Very low	51 Å²	51	105.4 Å²	105.4	22%	0.222	53%	0.53	C	S	.	.			trans	-66.9	75.3	163.8	-76.8	174.7	153.2	-177.2	0	105.5	Y197 D201 Y202	Y197-K199 PolarHBondContact O-N 2.92Å; K199-D201 PolarHBondContact O-N 2.82Å; K199-D201 VanDerWaalsContact O-N 3.1Å; K199-Y202 HydrophobicContact CB-CD2 3.75Å; K199-Y202 HydrophobicContact CB-CE2 4.32Å; K199-Y202 HydrophobicContact CD-CD2 3.84Å; K199-Y202 HydrophobicContact CD-CE2 3.77Å; K199-Y202 HydrophobicContact CG-CD2 4.3Å; K199-Y202 HydrophobicContact CG-CE2 4.41Å; K199-Y202 PolarHBondContact O-N 3.32Å; K199-Y202 VanDerWaalsContact O-N 3.12Å
200	Q	48.4	Very low	47.4	Very low	113 Å²	113	101.3 Å²	101.3	53%	0.528	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-54.2	-27.3	175.2	-74.6	-177	-37.4	0	0	109.5	L198 Y202 L203 M208	L198-Q200 HydrophobicContact CB-CG 3.98Å; L198-Q200 PolarHBondContact O-N 2.78Å; Q200-Y202 PolarHBondContact O-N 2.84Å; Q200-Y202 VanDerWaalsContact O-N 3.11Å; Q200-L203 PolarHBondContact O-N 3.13Å; Q200-L203 VanDerWaalsContact O-N 3.15Å; Q200-M208 HydrophobicContact CB-CE 4.23Å; Q200-M208 HydrophobicContact CG-CE 3.98Å
201	D	46.2	Very low	47.8	Very low	151 Å²	151	101.7 Å²	101.7	81%	0.807	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-57.9	-21	177.7	-56.6	-17.9	0	0	0	114.8	K199	K199-D201 PolarHBondContact O-N 2.82Å; K199-D201 VanDerWaalsContact O-N 3.1Å
202	Y	49.7	Very low	48.4	Very low	139 Å²	139	102.9 Å²	102.9	55%	0.545	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-108.6	-3.6	178.7	-63.6	-71.9	0	0	0	114.5	K199 Q200	K199-Y202 HydrophobicContact CB-CD2 3.75Å; K199-Y202 HydrophobicContact CB-CE2 4.32Å; K199-Y202 HydrophobicContact CD-CD2 3.84Å; K199-Y202 HydrophobicContact CD-CE2 3.77Å; K199-Y202 HydrophobicContact CG-CD2 4.3Å; K199-Y202 HydrophobicContact CG-CE2 4.41Å; K199-Y202 PolarHBondContact O-N 3.32Å; K199-Y202 VanDerWaalsContact O-N 3.12Å; Q200-Y202 PolarHBondContact O-N 2.84Å; Q200-Y202 VanDerWaalsContact O-N 3.11Å
203	L	54	Low	48.7	Very low	27 Å²	27	103 Å²	103	14%	0.141	52%	0.515	C	S	.	.			trans	-119.7	118.5	-175	-65.2	172.8	0	0	0	109.8	Q200 E207 M208 P218 W341	Q200-L203 PolarHBondContact O-N 3.13Å; Q200-L203 VanDerWaalsContact O-N 3.15Å; L203-E207 WeakPolarHBondContact CA-OE2 3.16Å; L203-E207 HydrophobicContact CB-CB 4.28Å; L203-E207 HydrophobicContact CD2-CB 3.92Å; L203-M208 HydrophobicContact CB-CE 3.55Å; L203-M208 HydrophobicContact CB-CG 4.48Å; L203-M208 HydrophobicContact CD1-CE 4.43Å; L203-M208 WeakPolarHBondContact O-CE 3.48Å; L203-P218 HydrophobicContact CD1-CB 3.35Å; L203-W341 HydrophobicContact CD2-CH2 4.29Å; L203-W341 HydrophobicContact CD2-CZ2 4.47Å
204	T	53.3	Low	49.1	Very low	78 Å²	78	105.2 Å²	105.2	48%	0.479	53%	0.526	S	S	.	.			trans	-64.1	157.5	168.9	62.7	0	0	0	0	110	E206 E207	T204-E206 PolarHBondContact O-N 2.85Å; T204-E207 WeakPolarHBondContact CB-OE2 3.43Å; T204-E207 PolarHBondContact N-OE2 3.05Å; T204-E207 WeakPolarHBondContact O-CA 3.13Å; T204-E207 WeakPolarHBondContact O-CB 3.13Å; T204-E207 PolarHBondContact O-N 3.41Å; T204-E207 WeakPolarHBondContact OG1-CG 3.09Å; T204-E207 PolarHBondContact OG1-OE2 3.5Å
205	R	54.8	Low	50.6	Low	225 Å²	225	105.1 Å²	105.1	85%	0.849	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-57.6	-24.6	177.3	-165.9	175.9	-178.4	172.4	0.9	112.7	E207 M208	R205-E207 VanDerWaalsContact C-N 3.31Å; R205-M208 PolarHBondContact O-N 2.95Å
206	E	58.9	Low	52.2	Low	177 Å²	177	99.1 Å²	99.1	83%	0.827	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-72.2	-23.8	175.2	-60.6	-174.5	175.3	0	0	112.9	T204 M208	T204-E206 PolarHBondContact O-N 2.85Å; E206-M208 VanDerWaalsContact C-N 3.28Å
207	E	60.1	Low	54	Low	72 Å²	72	96.5 Å²	96.5	34%	0.336	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-91.9	12.2	178.2	-64.9	164.5	131.2	0	0	112.1	L203 T204 R205 P218 L219	L203-E207 WeakPolarHBondContact CA-OE2 3.16Å; L203-E207 HydrophobicContact CB-CB 4.28Å; L203-E207 HydrophobicContact CD2-CB 3.92Å; T204-E207 WeakPolarHBondContact CB-OE2 3.43Å; T204-E207 PolarHBondContact N-OE2 3.05Å; T204-E207 WeakPolarHBondContact O-CA 3.13Å; T204-E207 WeakPolarHBondContact O-CB 3.13Å; T204-E207 PolarHBondContact O-N 3.41Å; T204-E207 WeakPolarHBondContact OG1-CG 3.09Å; T204-E207 PolarHBondContact OG1-OE2 3.5Å; R205-E207 VanDerWaalsContact C-N 3.31Å; E207-P218 CarbonylContact O-C 3.57Å; E207-P218 WeakPolarHBondContact O-CA 3.29Å; E207-L219 WeakPolarHBondContact O-CB 3.32Å; E207-L219 PolarHBondContact O-N 3.33Å
208	M	56.2	Low	56.2	Low	24 Å²	24	88.7 Å²	88.7	12%	0.118	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.3	176.1	-61.3	-174.3	-170.2	0	0	111	Q200 L203 R205 E206 L216 L217	Q200-M208 HydrophobicContact CB-CE 4.23Å; Q200-M208 HydrophobicContact CG-CE 3.98Å; L203-M208 HydrophobicContact CB-CE 3.55Å; L203-M208 HydrophobicContact CB-CG 4.48Å; L203-M208 HydrophobicContact CD1-CE 4.43Å; L203-M208 WeakPolarHBondContact O-CE 3.48Å; R205-M208 PolarHBondContact O-N 2.95Å; E206-M208 VanDerWaalsContact C-N 3.28Å; M208-L216 HydrophobicContact CB-CB 4.32Å; M208-L216 HydrophobicContact CB-CD2 4.21Å; M208-L216 HydrophobicContact SD-CB 3.87Å; M208-L216 HydrophobicContact SD-CD1 4.09Å; M208-L216 HydrophobicContact SD-CG 4.46Å; M208-L217 CarbonylContact C-O 3.55Å; M208-L217 VanDerWaalsContact CA-O 3.29Å; M208-L217 WeakPolarHBondContact CA-O 3.15Å
209	T	59.3	Low	58.1	Low	42 Å²	42	87.7 Å²	87.7	26%	0.258	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.9	169.7	-168.4	0	0	0	0	110.8	R211 L217 L219	T209-R211 HydrophobicContact CG2-CG 4.14Å; T209-R211 PolarHBondContact O-N 3.36Å; T209-L217 PolarHBondContact N-O 3.36Å; T209-L217 PolarHBondContact O-N 3.02Å; T209-L219 HydrophobicContact CG2-CD2 3.5Å; T209-L219 VanDerWaalsContact CG2-CD2 3.5Å; T209-L219 HydrophobicContact CG2-CG 4.27Å
210	T	51.5	Low	59.9	Low	95 Å²	95	85.2 Å²	85.2	58%	0.583	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	107.3	169.7	-48.3	0	0	0	0	107.1
211	R	52.4	Low	61.6	Low	68 Å²	68	82.8 Å²	82.8	26%	0.257	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.8	168.8	-83.1	-169.3	174.8	-170.7	-0.9	108.5	Y177 P179 T209 L217	Y177-R211 PolarHBondContact O-NH2 2.84Å; P179-R211 VanDerWaalsContact CD-NH1 3.31Å; P179-R211 VanDerWaalsContact CG-NH1 3.28Å; T209-R211 HydrophobicContact CG2-CG 4.14Å; T209-R211 PolarHBondContact O-N 3.36Å; R211-L217 HydrophobicContact CB-CD1 4.41Å
212	M	47.5	Very low	63	Low	156 Å²	156	77.7 Å²	77.7	77%	0.768	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	38.5	-173.1	-51.1	-90	-79.8	0	0	113.8	Q214	M212-Q214 PolarHBondContact O-N 2.61Å
213	G	43.1	Very low	64.5	Low	68 Å²	68	71.1 Å²	71.1	70%	0.701	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-17.8	164.6	0	0	0	0	0	118.2
214	Q	48.8	Very low	65.6	Low	184 Å²	184	70.9 Å²	70.9	86%	0.86	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.6	-12.8	-173.6	-67.7	-172.8	-26.8	0	0	115.5	M212	M212-Q214 PolarHBondContact O-N 2.61Å
215	V	60.5	Low	66.7	Low	73 Å²	73	68.6 Å²	68.6	44%	0.442	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.3	-174.3	-171.7	0	0	0	0	110.9	L217	V215-L217 HydrophobicContact CG1-CD2 3.77Å; V215-L217 HydrophobicContact CG1-CG 4.33Å; V215-L217 PolarHBondContact O-N 3.31Å
216	L	69.9	Low	67.6	Low	67 Å²	67	57.9 Å²	57.9	35%	0.351	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	109.9	168	-71.3	170.7	0	0	0	108.3	L198 M208	L198-L216 WeakPolarHBondContact CD1-O 3.47Å; M208-L216 HydrophobicContact CB-CB 4.32Å; M208-L216 HydrophobicContact CB-CD2 4.21Å; M208-L216 HydrophobicContact SD-CB 3.87Å; M208-L216 HydrophobicContact SD-CD1 4.09Å; M208-L216 HydrophobicContact SD-CG 4.46Å
217	L	79.8	Confident	68.4	Low	13 Å²	13	49.6 Å²	49.6	7%	0.068	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.8	176.6	-65.5	-179.4	0	0	0	110.2	M208 T209 R211 V215 Y236 N339	M208-L217 CarbonylContact C-O 3.55Å; M208-L217 VanDerWaalsContact CA-O 3.29Å; M208-L217 WeakPolarHBondContact CA-O 3.15Å; T209-L217 PolarHBondContact N-O 3.36Å; T209-L217 PolarHBondContact O-N 3.02Å; R211-L217 HydrophobicContact CB-CD1 4.41Å; V215-L217 HydrophobicContact CG1-CD2 3.77Å; V215-L217 HydrophobicContact CG1-CG 4.33Å; V215-L217 PolarHBondContact O-N 3.31Å; L217-Y236 HydrophobicContact CD1-CE1 4.3Å; L217-Y236 HydrophobicContact CD2-CD1 3.91Å; L217-Y236 HydrophobicContact CD2-CE1 3.56Å; L217-Y236 HydrophobicContact CD2-CE2 4.36Å; L217-Y236 HydrophobicContact CD2-CG 4.41Å; L217-Y236 HydrophobicContact CG-CE1 4.48Å; L217-N339 HydrophobicContact CB-CB 4.49Å
218	P	87.6	Confident	69.5	Low	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	151.5	179	34.2	-37.5	0	0	0	109.4	L198 L203 E207 N339 W341	L198-P218 HydrophobicContact CD2-CG 4.11Å; L203-P218 HydrophobicContact CD1-CB 3.35Å; E207-P218 CarbonylContact O-C 3.57Å; E207-P218 WeakPolarHBondContact O-CA 3.29Å; P218-N339 HydrophobicContact CG-CB 4.36Å; P218-N339 VanDerWaalsContact CG-O 3.24Å; P218-N339 WeakPolarHBondContact CG-O 3.5Å; P218-N339 VanDerWaalsContact O-CA 3.31Å; P218-N339 WeakPolarHBondContact O-CA 3.32Å; P218-N339 PolarHBondContact O-ND2 2.79Å; P218-W341 HydrophobicContact CB-CH2 3.9Å; P218-W341 HydrophobicContact CB-CZ3 3.97Å; P218-W341 HydrophobicContact CG-CZ3 4.28Å
219	L	88.9	Confident	70.7	Confident	18 Å²	18	45.7 Å²	45.7	9%	0.094	26%	0.257	C	S	.	.			trans	-105.1	128.4	176.5	-69.3	-179	0	0	0	109.8	W170 E207 T209 D338 W341	W170-L219 HydrophobicContact CB-CD1 4.42Å; W170-L219 HydrophobicContact CD2-CB 4.3Å; W170-L219 HydrophobicContact CD2-CD1 4.05Å; W170-L219 HydrophobicContact CD2-CD2 3.92Å; W170-L219 HydrophobicContact CD2-CG 4.33Å; W170-L219 HydrophobicContact CE3-CD1 4.38Å; W170-L219 HydrophobicContact CE3-CD2 3.95Å; W170-L219 HydrophobicContact CG-CB 4.38Å; W170-L219 HydrophobicContact CG-CD1 4.04Å; W170-L219 HydrophobicContact CH2-CD2 3.77Å; W170-L219 HydrophobicContact CZ2-CB 4.38Å; W170-L219 HydrophobicContact CZ2-CD2 3.73Å; W170-L219 HydrophobicContact CZ3-CD2 3.87Å; E207-L219 WeakPolarHBondContact O-CB 3.32Å; E207-L219 PolarHBondContact O-N 3.33Å; T209-L219 HydrophobicContact CG2-CD2 3.5Å; T209-L219 VanDerWaalsContact CG2-CD2 3.5Å; T209-L219 HydrophobicContact CG2-CG 4.27Å; L219-D338 CarbonylContact C-O 3.02Å; L219-D338 WeakPolarHBondContact CA-O 3.27Å; L219-W341 WeakPolarHBondContact O-CH2 3.29Å; L219-W341 WeakPolarHBondContact O-CZ3 3.46Å
220	N	86.7	Confident	71.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.			trans	-58.4	122.8	178	-174.3	-32.2	0	0	0	110.6	W170 L222 G223 T225 T337 D338 W341	W170-N220 PolarHBondContact NE1-O 3.38Å; N220-L222 PolarHBondContact O-N 2.91Å; N220-L222 VanDerWaalsContact O-N 3.16Å; N220-L222 WeakPolarHBondContact OD1-CB 3.31Å; N220-L222 PolarHBondContact OD1-N 2.84Å; N220-G223 WeakPolarHBondContact O-CA 3.09Å; N220-G223 PolarHBondContact O-N 3.48Å; N220-T225 HydrophobicContact CB-CG2 4.38Å; N220-T225 WeakPolarHBondContact ND2-CG2 3.21Å; N220-T337 VanDerWaalsContact CB-O 3.29Å; N220-T337 WeakPolarHBondContact CB-O 3.45Å; N220-T337 PolarHBondContact ND2-O 3.07Å; N220-D338 PolarHBondContact N-O 3.4Å; N220-W341 HydrophobicContact CB-CE3 3.95Å; N220-W341 HydrophobicContact CB-CZ3 4.4Å
221	P	85.5	Confident	73.2	Confident	61 Å²	61	41.2 Å²	41.2	40%	0.396	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.8	-176.1	25.6	-33.6	0	0	0	113.1	G223 V330 W341	P221-G223 PolarHBondContact O-N 3.35Å; P221-V330 HydrophobicContact CG-CB 4.04Å; P221-V330 HydrophobicContact CG-CG1 4.11Å; P221-V330 HydrophobicContact CG-CG2 3.54Å; P221-W341 VanDerWaalsContact CD-CE2 3.42Å; P221-W341 HydrophobicContact CG-CD2 4.46Å; P221-W341 HydrophobicContact CG-CZ2 4.21Å
222	L	75.7	Confident	74.3	Confident	45 Å²	45	40 Å²	40	24%	0.236	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.5	171.4	-60.7	-177.1	0	0	0	113.6	K168 N220 V330 P332	K168-L222 WeakPolarHBondContact CE-O 3.09Å; K168-L222 PolarHBondContact NZ-O 3.35Å; N220-L222 PolarHBondContact O-N 2.91Å; N220-L222 VanDerWaalsContact O-N 3.16Å; N220-L222 WeakPolarHBondContact OD1-CB 3.31Å; N220-L222 PolarHBondContact OD1-N 2.84Å; L222-V330 HydrophobicContact CD1-CG1 3.78Å; L222-V330 HydrophobicContact CD2-CG1 4.44Å; L222-V330 HydrophobicContact CG-CB 4.31Å; L222-V330 HydrophobicContact CG-CG1 3.72Å; L222-P332 HydrophobicContact CD1-CG 4.21Å
223	G	79.4	Confident	75.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.			trans	95.7	-168.1	-178.9	0	0	0	0	0	114	K168 N220 P221	K168-G223 CarbonylContact O-C 3.3Å; K168-G223 VanDerWaalsContact O-CA 3.28Å; K168-G223 WeakPolarHBondContact O-CA 3.4Å; N220-G223 WeakPolarHBondContact O-CA 3.09Å; N220-G223 PolarHBondContact O-N 3.48Å; P221-G223 PolarHBondContact O-N 3.35Å
224	R	78.9	Confident	77.4	Confident	22 Å²	22	34.6 Å²	34.6	8%	0.083	18%	0.183	C	C	.	.			trans	-54.3	132.9	176.5	-68.2	-177.6	-178.6	89.6	5.9	111.4	A163 K167 K168 Q169 W170 Q172 Y177	A163-R224 HydrophobicContact CB-CB 3.9Å; K167-R224 PolarHBondContact O-NH1 3.38Å; K168-R224 WeakPolarHBondContact O-CB 3.27Å; K168-R224 WeakPolarHBondContact O-CG 3.43Å; K168-R224 PolarHBondContact O-N 2.76Å; Q169-R224 PolarHBondContact O-NH1 3.5Å; W170-R224 HydrophobicContact CD2-CG 4.31Å; W170-R224 HydrophobicContact CE3-CG 3.89Å; W170-R224 HydrophobicContact CH2-CG 3.76Å; W170-R224 HydrophobicContact CZ2-CG 4.18Å; W170-R224 HydrophobicContact CZ3-CG 3.61Å; W170-R224 PolarHBondContact O-NH2 3.36Å; Q172-R224 PolarHBondContact O-NH1 3.39Å; Q172-R224 VanDerWaalsContact O-NH1 3.11Å; Q172-R224 PolarHBondContact O-NH2 2.78Å; Y177-R224 HydrophobicContact CD1-CG 3.95Å; Y177-R224 HydrophobicContact CE1-CB 3.93Å; Y177-R224 VanDerWaalsContact CE1-CD 3.49Å; Y177-R224 HydrophobicContact CE1-CG 3.44Å; Y177-R224 VanDerWaalsContact CE1-CG 3.44Å; Y177-R224 HydrophobicContact CE2-CB 4.13Å; Y177-R224 HydrophobicContact CE2-CG 4.25Å; Y177-R224 WeakPolarHBondContact OH-CB 3.44Å
225	T	75	Confident	78.9	Confident	31 Å²	31	26.9 Å²	26.9	19%	0.19	15%	0.147	C	C	.	.			trans	-115.6	-13.9	-178.2	71.9	0	0	0	0	113.4	R160 Y177 N220 I227 N336 T337 D338	R160-T225 PolarHBondContact NH1-O 2.79Å; R160-T225 VanDerWaalsContact NH1-O 3.12Å; Y177-T225 PolarHBondContact OH-N 2.95Å; N220-T225 HydrophobicContact CB-CG2 4.38Å; N220-T225 WeakPolarHBondContact ND2-CG2 3.21Å; T225-I227 PolarHBondContact OG1-O 2.75Å; T225-N336 HydrophobicContact CG2-CB 4.46Å; T225-T337 VanDerWaalsContact CG2-C 3.44Å; T225-T337 VanDerWaalsContact CG2-O 3.25Å; T225-T337 WeakPolarHBondContact CG2-O 3.25Å; T225-T337 WeakPolarHBondContact OG1-CA 3.38Å; T225-D338 WeakPolarHBondContact CA-OD1 3.14Å; T225-D338 WeakPolarHBondContact CB-OD1 3.43Å; T225-D338 PolarHBondContact N-OD1 2.86Å; T225-D338 PolarHBondContact OG1-N 3.29Å; T225-D338 PolarHBondContact OG1-OD1 3.37Å
226	G	74.1	Confident	80.2	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	92.6	6.6	178.5	0	0	0	0	0	114.9	R160 L161 Y177 P179 P180 D338	R160-G226 CarbonylContact C-O 3.55Å; R160-G226 VanDerWaalsContact CA-O 3.29Å; R160-G226 WeakPolarHBondContact CA-O 3.45Å; L161-G226 PolarHBondContact N-O 3.32Å; L161-G226 WeakPolarHBondContact O-CA 3.46Å; Y177-G226 VanDerWaalsContact OH-CA 3.22Å; Y177-G226 WeakPolarHBondContact OH-CA 3.46Å; Y177-G226 PolarHBondContact OH-N 2.95Å; P179-G226 VanDerWaalsContact CB-O 3.31Å; P179-G226 WeakPolarHBondContact CB-O 3.49Å; P180-G226 WeakPolarHBondContact CD-O 3.41Å; G226-D338 PolarHBondContact N-OD1 3.24Å
227	I	76.4	Confident	81.1	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.116	C	C	.	.			trans	-147.8	136.2	178.3	-161.6	171	0	0	0	108.1	L158 R160 P180 Y182 T225 T337 D338	L158-I227 HydrophobicContact CD2-CD1 3.37Å; R160-I227 HydrophobicContact CG-CB 4.26Å; R160-I227 HydrophobicContact CG-CG2 4.45Å; R160-I227 VanDerWaalsContact NH1-CG2 3.26Å; P180-I227 HydrophobicContact CG-CG1 4.48Å; P180-I227 WeakPolarHBondContact O-CG1 3.5Å; Y182-I227 HydrophobicContact CG-CD1 3.99Å; T225-I227 PolarHBondContact OG1-O 2.75Å; I227-T337 HydrophobicContact CG2-CG2 3.67Å; I227-T337 WeakPolarHBondContact O-CB 3.43Å; I227-D338 WeakPolarHBondContact O-CB 3.44Å; I227-D338 PolarHBondContact O-N 3.5Å
228	C	82.9	Confident	81.5	Confident	14 Å²	14	22.3 Å²	22.3	10%	0.095	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	166.3	174.9	67.4	0	0	0	0	111.2	P179 P180 L181 Y182 D338 N339	P179-C228 HydrophobicContact CG-CB 4.18Å; P179-C228 PolarHBondContact O-SG 3.08Å; P180-C228 PolarHBondContact O-N 2.99Å; P180-C228 PolarHBondContact O-SG 2.91Å; L181-C228 WeakPolarHBondContact CA-SG 3.45Å; Y182-C228 PolarHBondContact N-O 3.42Å; C228-D338 HydrophobicContact CB-CB 4.44Å; C228-N339 WeakPolarHBondContact CA-OD1 3.49Å; C228-N339 WeakPolarHBondContact CB-OD1 3.27Å
229	G	81.5	Confident	81.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.4	-172.1	-172.7	0	0	0	0	0	113.4	G231 T337 N339	G229-G231 VanDerWaalsContact C-N 3.32Å; G229-T337 WeakPolarHBondContact O-CB 3.29Å; G229-T337 PolarHBondContact O-OG1 3.33Å; G229-N339 PolarHBondContact N-OD1 3.42Å
230	K	82.1	Confident	81.6	Confident	42 Å²	42	22.5 Å²	22.5	18%	0.183	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-20	-178.7	-66.6	-173.4	169.7	-166.5	0	113.2	Y182 L232 L233 D234 E235 Y236	Y182-K230 PolarHBondContact O-N 3.28Å; K230-L232 PolarHBondContact O-N 3.15Å; K230-L233 WeakPolarHBondContact CB-O 3.43Å; K230-L233 PolarHBondContact O-N 3.11Å; K230-D234 WeakPolarHBondContact CD-O 3.5Å; K230-D234 PolarHBondContact NZ-O 3.1Å; K230-E235 IonicContact NZ-OE2 2.7Å; K230-E235 PolarHBondContact NZ-OE2 2.78Å; K230-Y236 HydrophobicContact CD-CD2 3.98Å; K230-Y236 HydrophobicContact CD-CE2 4.02Å; K230-Y236 VanDerWaalsContact CE-CE2 3.47Å; K230-Y236 HydrophobicContact CG-CD1 4.08Å; K230-Y236 HydrophobicContact CG-CD2 3.59Å; K230-Y236 HydrophobicContact CG-CE1 4.04Å; K230-Y236 HydrophobicContact CG-CE2 3.55Å; K230-Y236 HydrophobicContact CG-CG 3.9Å
231	G	80.7	Confident	81.5	Confident	2 Å²	2	22.7 Å²	22.7	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71	-130.2	-176.5	0	0	0	0	0	111.3	Y182 I184 G229 T337	Y182-G231 PolarHBondContact O-N 3.12Å; I184-G231 PolarHBondContact N-O 3.05Å; G229-G231 VanDerWaalsContact C-N 3.32Å; G231-T337 VanDerWaalsContact CA-CG2 3.45Å
232	L	76.2	Confident	81.5	Confident	43 Å²	43	19.9 Å²	19.9	23%	0.225	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	3.8	173.1	-64.2	174.8	0	0	0	112.8	W152 V156 L158 Y182 I184 K230 R335	W152-L232 HydrophobicContact CH2-CD1 4.31Å; W152-L232 HydrophobicContact CZ3-CD1 4.02Å; V156-L232 HydrophobicContact CG1-CD2 4.44Å; L158-L232 HydrophobicContact CD1-CD1 3.98Å; L158-L232 HydrophobicContact CD1-CG 4.25Å; Y182-L232 HydrophobicContact CE1-CD2 4.16Å; I184-L232 HydrophobicContact CD1-CD2 4.16Å; K230-L232 PolarHBondContact O-N 3.15Å; L232-R335 HydrophobicContact CB-CG 4.17Å; L232-R335 HydrophobicContact CD1-CG 4.26Å
233	L	80.2	Confident	81.9	Confident	7 Å²	7	18 Å²	18	4%	0.037	9%	0.093	C	C	.	.	S	Bend	trans	-94.3	150	178.6	-61.7	175.9	0	0	0	109.6	K230 E235 T239 R335 S340 V342	K230-L233 WeakPolarHBondContact CB-O 3.43Å; K230-L233 PolarHBondContact O-N 3.11Å; L233-E235 VanDerWaalsContact C-N 3.31Å; L233-E235 PolarHBondContact O-N 3.37Å; L233-T239 HydrophobicContact CD2-CG2 4.43Å; L233-R335 HydrophobicContact CD1-CB 4.43Å; L233-R335 HydrophobicContact CD2-CB 3.96Å; L233-R335 HydrophobicContact CG-CB 4.05Å; L233-S340 VanDerWaalsContact CB-OG 3.25Å; L233-S340 WeakPolarHBondContact CB-OG 3.34Å; L233-S340 WeakPolarHBondContact CD1-OG 3.35Å; L233-V342 HydrophobicContact CD1-CG2 4.32Å; L233-V342 HydrophobicContact CD2-CG2 4.18Å
234	D	75.6	Confident	82.1	Confident	103 Å²	103	18.2 Å²	18.2	55%	0.551	10%	0.095	S	C	*	.	S	Bend	trans	-75.4	-21.9	-172.8	-59.7	-33.3	0	0	0	112.8	K230	K230-D234 WeakPolarHBondContact CD-O 3.5Å; K230-D234 PolarHBondContact NZ-O 3.1Å
235	E	80.2	Confident	82.2	Confident	22 Å²	22	18.3 Å²	18.3	10%	0.103	10%	0.096	C	C	.	.	S	Bend	trans	-132.4	159	-173	-66.8	-66.6	-169	0	0	114	K230 L233 N280 S340	K230-E235 IonicContact NZ-OE2 2.7Å; K230-E235 PolarHBondContact NZ-OE2 2.78Å; L233-E235 VanDerWaalsContact C-N 3.31Å; L233-E235 PolarHBondContact O-N 3.37Å; E235-N280 HydrophobicContact CG-CB 4.41Å; E235-N280 VanDerWaalsContact CG-ND2 3.27Å; E235-N280 WeakPolarHBondContact CG-ND2 3.27Å; E235-S340 VanDerWaalsContact O-CB 3.28Å; E235-S340 WeakPolarHBondContact O-CB 3.42Å; E235-S340 PolarHBondContact O-OG 2.78Å
236	Y	86.7	Confident	82.6	Confident	31 Å²	31	17.4 Å²	17.4	12%	0.122	9%	0.09	C	C	.	.	S	Bend	trans	-78.5	140.1	167.4	-77.1	-79.6	0	0	0	110	Q183 T196 L217 K230 N339	Q183-Y236 PolarHBondContact NE2-OH 3.16Å; T196-Y236 HydrophobicContact CG2-CD2 3.52Å; T196-Y236 HydrophobicContact CG2-CE2 4.44Å; T196-Y236 HydrophobicContact CG2-CG 4.23Å; L217-Y236 HydrophobicContact CD1-CE1 4.3Å; L217-Y236 HydrophobicContact CD2-CD1 3.91Å; L217-Y236 HydrophobicContact CD2-CE1 3.56Å; L217-Y236 HydrophobicContact CD2-CE2 4.36Å; L217-Y236 HydrophobicContact CD2-CG 4.41Å; L217-Y236 HydrophobicContact CG-CE1 4.48Å; K230-Y236 HydrophobicContact CD-CD2 3.98Å; K230-Y236 HydrophobicContact CD-CE2 4.02Å; K230-Y236 VanDerWaalsContact CE-CE2 3.47Å; K230-Y236 HydrophobicContact CG-CD1 4.08Å; K230-Y236 HydrophobicContact CG-CD2 3.59Å; K230-Y236 HydrophobicContact CG-CE1 4.04Å; K230-Y236 HydrophobicContact CG-CE2 3.55Å; K230-Y236 HydrophobicContact CG-CG 3.9Å; Y236-N339 CarbonylContact C-O 3.23Å; Y236-N339 WeakPolarHBondContact CA-O 3.18Å; Y236-N339 HydrophobicContact CD1-CB 3.6Å; Y236-N339 HydrophobicContact CE1-CB 3.77Å
237	G	88.6	Confident	83.1	Confident	2 Å²	2	19 Å²	19	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.3	-149.2	-177.3	0	0	0	0	0	113	N339 S340 W341	G237-N339 PolarHBondContact N-O 2.76Å; G237-S340 CarbonylContact O-C 3.24Å; G237-S340 VanDerWaalsContact O-CA 3.31Å; G237-S340 WeakPolarHBondContact O-CA 3.44Å; G237-S340 PolarHBondContact O-OG 2.02Å; G237-W341 PolarHBondContact O-N 2.89Å
238	P	89.5	Confident	83.5	Confident	24 Å²	24	19.4 Å²	19.4	16%	0.156	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126	-177.4	28.5	-32.4	0	0	0	112	Y240 W341 Q343	P238-Y240 HydrophobicContact CB-CE1 4.26Å; P238-Y240 HydrophobicContact CB-CE2 4Å; P238-Y240 HydrophobicContact CG-CE2 3.9Å; P238-W341 CarbonylContact C-O 3.58Å; P238-W341 WeakPolarHBondContact CA-O 3.43Å; P238-Q343 HydrophobicContact CB-CB 4.16Å
239	T	88.5	Confident	83.5	Confident	5 Å²	5	19.4 Å²	19.4	3%	0.031	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.4	156.9	-58.4	0	0	0	0	108	L233 F278 W341 V342 Q343	L233-T239 HydrophobicContact CD2-CG2 4.43Å; T239-F278 HydrophobicContact CG2-CB 4.18Å; T239-F278 HydrophobicContact CG2-CD1 3.81Å; T239-F278 HydrophobicContact CG2-CG 4.4Å; T239-W341 PolarHBondContact N-O 2.84Å; T239-V342 WeakPolarHBondContact O-CA 3.42Å; T239-Q343 PolarHBondContact O-N 2.79Å
240	Y	89.2	Confident	83.7	Confident	17 Å²	17	21.1 Å²	21.1	7%	0.067	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.8	-172.5	-60.3	-91.5	0	0	0	111.4	P238 F278 T279 P282 Q343 I345	P238-Y240 HydrophobicContact CB-CE1 4.26Å; P238-Y240 HydrophobicContact CB-CE2 4Å; P238-Y240 HydrophobicContact CG-CE2 3.9Å; Y240-F278 CarbonylContact O-C 3.36Å; Y240-F278 VanDerWaalsContact O-CA 3.25Å; Y240-F278 WeakPolarHBondContact O-CA 3.4Å; Y240-T279 WeakPolarHBondContact CA-O 3.22Å; Y240-T279 WeakPolarHBondContact CB-O 3.17Å; Y240-T279 PolarHBondContact N-O 3.5Å; Y240-T279 PolarHBondContact O-N 2.84Å; Y240-P282 HydrophobicContact CD1-CB 4.42Å; Y240-P282 HydrophobicContact CD1-CG 3.97Å; Y240-P282 HydrophobicContact CD2-CB 4.36Å; Y240-P282 VanDerWaalsContact CD2-CD 3.41Å; Y240-P282 HydrophobicContact CD2-CG 3.57Å; Y240-P282 HydrophobicContact CE1-CG 4.09Å; Y240-P282 HydrophobicContact CE2-CG 3.72Å; Y240-P282 HydrophobicContact CG-CB 4.07Å; Y240-P282 HydrophobicContact CG-CG 3.67Å; Y240-Q343 CarbonylContact C-O 3.41Å; Y240-Q343 VanDerWaalsContact CA-O 3.22Å; Y240-Q343 WeakPolarHBondContact CA-O 3.46Å; Y240-Q343 HydrophobicContact CD1-CB 3.94Å; Y240-Q343 HydrophobicContact CD1-CG 3.97Å; Y240-Q343 HydrophobicContact CE1-CB 4.19Å; Y240-Q343 HydrophobicContact CE1-CG 4Å; Y240-I345 HydrophobicContact CD1-CD1 3.34Å; Y240-I345 HydrophobicContact CD1-CG1 3.89Å; Y240-I345 HydrophobicContact CE1-CD1 3.87Å; Y240-I345 HydrophobicContact CG-CD1 4.11Å
241	L	84.7	Confident	83.9	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	102.1	164.8	179.8	58.5	0	0	0	108.5	I243 Q276 F278 V342 Q343 V344 I345 P391	L241-I243 HydrophobicContact CG-CG1 4.32Å; L241-Q276 HydrophobicContact CD1-CB 3.86Å; L241-Q276 HydrophobicContact CD1-CG 4.29Å; L241-F278 HydrophobicContact CB-CD1 4.21Å; L241-F278 HydrophobicContact CB-CE1 3.76Å; L241-F278 HydrophobicContact CB-CZ 4.19Å; L241-F278 HydrophobicContact CD1-CD1 4.36Å; L241-F278 HydrophobicContact CD1-CD2 4.32Å; L241-F278 HydrophobicContact CD1-CE1 3.98Å; L241-F278 HydrophobicContact CD1-CE2 3.91Å; L241-F278 HydrophobicContact CD1-CG 4.49Å; L241-F278 HydrophobicContact CD1-CZ 3.66Å; L241-F278 HydrophobicContact CD2-CE1 4.46Å; L241-F278 HydrophobicContact CD2-CZ 4.11Å; L241-F278 HydrophobicContact CG-CE1 4.28Å; L241-F278 HydrophobicContact CG-CZ 4.21Å; L241-V342 HydrophobicContact CB-CG1 4.02Å; L241-Q343 PolarHBondContact N-O 3.14Å; L241-V344 HydrophobicContact CB-CG2 4.12Å; L241-V344 HydrophobicContact CD2-CG2 4.1Å; L241-V344 HydrophobicContact CG-CG2 4.49Å; L241-V344 WeakPolarHBondContact O-CA 3.47Å; L241-I345 PolarHBondContact O-N 3.05Å; L241-P391 HydrophobicContact CD2-CG 4.13Å
242	V	86.6	Confident	83.7	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.1	-179	179.7	0	0	0	0	109.6	Q276 S277 T279 P282 F286 I345	V242-Q276 WeakPolarHBondContact O-CA 3.4Å; V242-S277 PolarHBondContact N-O 3.28Å; V242-S277 PolarHBondContact O-N 2.82Å; V242-S277 VanDerWaalsContact O-N 3.12Å; V242-T279 HydrophobicContact CG2-CG2 3.71Å; V242-P282 HydrophobicContact CG2-CB 4.21Å; V242-F286 WeakPolarHBondContact CG1-O 3.47Å; V242-I345 WeakPolarHBondContact CA-O 3.16Å
243	I	82.8	Confident	83.8	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	92.8	177.7	-50.6	177.1	0	0	0	108.3	L241 L274 F275 Q276 V344 I345 L346 T347	L241-I243 HydrophobicContact CG-CG1 4.32Å; I243-L274 HydrophobicContact CG2-CB 3.84Å; I243-L274 HydrophobicContact CG2-CD1 3.92Å; I243-F275 WeakPolarHBondContact CA-O 3.47Å; I243-Q276 HydrophobicContact CG1-CB 3.99Å; I243-V344 HydrophobicContact CD1-CG1 3.85Å; I243-V344 HydrophobicContact CG1-CG1 4.41Å; I243-I345 PolarHBondContact N-O 3.27Å; I243-L346 HydrophobicContact CB-CD1 3.68Å; I243-L346 HydrophobicContact CG2-CD1 3.5Å; I243-L346 VanDerWaalsContact CG2-CD1 3.5Å; I243-L346 WeakPolarHBondContact O-CA 3.37Å; I243-L346 WeakPolarHBondContact O-CD1 3.42Å; I243-T347 PolarHBondContact O-N 2.84Å
244	P	84	Confident	83.7	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.039	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.5	179.1	35.4	-32.1	0	0	0	111	F275 L287 Y349	P244-F275 VanDerWaalsContact CD-O 3.31Å; P244-F275 WeakPolarHBondContact CD-O 3.49Å; P244-F275 HydrophobicContact CG-CB 4.32Å; P244-F275 HydrophobicContact CG-CD1 3.72Å; P244-F275 HydrophobicContact CG-CG 4.39Å; P244-L287 HydrophobicContact CB-CB 4.48Å; P244-L287 HydrophobicContact CB-CD2 3.74Å; P244-L287 HydrophobicContact CG-CB 4.22Å; P244-L287 HydrophobicContact CG-CD2 4.32Å; P244-Y349 HydrophobicContact CB-CD2 4.12Å; P244-Y349 HydrophobicContact CB-CE2 3.67Å
245	I	80.4	Confident	84	Confident	24 Å²	24	36.7 Å²	36.7	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.2	168.5	-60	177.5	0	0	0	107.5	L247 L256 L274 L346 T347 V348 Y349	I245-L247 HydrophobicContact CG2-CG 4.36Å; I245-L256 HydrophobicContact CG2-CD1 3.79Å; I245-L274 HydrophobicContact CD1-CD1 3.76Å; I245-L274 HydrophobicContact CG1-CD1 3.78Å; I245-L274 HydrophobicContact CG1-CD2 4.19Å; I245-L346 HydrophobicContact CD1-CD1 3.94Å; I245-L346 HydrophobicContact CG1-CD1 4.23Å; I245-T347 PolarHBondContact N-O 2.76Å; I245-V348 HydrophobicContact CB-CG2 4Å; I245-V348 HydrophobicContact CD1-CG2 4.04Å; I245-V348 HydrophobicContact CG1-CG2 4.49Å; I245-V348 HydrophobicContact CG2-CG2 4.35Å; I245-V348 CarbonylContact O-C 3.56Å; I245-V348 WeakPolarHBondContact O-CA 3.25Å; I245-Y349 PolarHBondContact O-N 2.82Å
246	M	83.8	Confident	84.2	Confident	11 Å²	11	36.1 Å²	36.1	5%	0.054	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123	-179	-66.5	-179.2	-80.3	0	0	111.6	L256 F257 L287 L291 Y349 L357 W373	M246-L256 WeakPolarHBondContact O-CD1 2.84Å; M246-F257 HydrophobicContact CB-CB 3.86Å; M246-F257 HydrophobicContact CE-CB 4.12Å; M246-F257 HydrophobicContact CE-CD1 3.26Å; M246-F257 HydrophobicContact CE-CE1 3.84Å; M246-F257 HydrophobicContact CE-CG 3.93Å; M246-F257 PolarHBondContact O-N 3Å; M246-L287 HydrophobicContact CE-CD1 4.29Å; M246-L287 HydrophobicContact CE-CD2 4.2Å; M246-L287 HydrophobicContact CG-CD2 4.23Å; M246-L287 HydrophobicContact SD-CD1 3.95Å; M246-L287 HydrophobicContact SD-CD2 3.63Å; M246-L287 HydrophobicContact SD-CG 4.44Å; M246-L291 HydrophobicContact CE-CD2 4.19Å; M246-Y349 HydrophobicContact CG-CD2 3.79Å; M246-Y349 HydrophobicContact CG-CG 4.31Å; M246-L357 HydrophobicContact SD-CD1 4.05Å; M246-W373 HydrophobicContact CB-CH2 4.21Å; M246-W373 HydrophobicContact CB-CZ3 4.43Å
247	L	83.8	Confident	84.1	Confident	35 Å²	35	35.5 Å²	35.5	18%	0.183	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.6	-178.1	-65.3	165.9	0	0	0	110	I245 E255 L256 V348 Y349 M350 D351 I376	I245-L247 HydrophobicContact CG2-CG 4.36Å; L247-E255 WeakPolarHBondContact CA-O 3.19Å; L247-L256 HydrophobicContact CD2-CB 4.19Å; L247-L256 HydrophobicContact CD2-CD1 3.55Å; L247-L256 HydrophobicContact CD2-CG 4.47Å; L247-L256 HydrophobicContact CG-CD1 4.19Å; L247-V348 HydrophobicContact CD1-CG1 3.98Å; L247-Y349 PolarHBondContact N-O 2.9Å; L247-M350 HydrophobicContact CB-SD 3.55Å; L247-M350 VanDerWaalsContact CB-SD 3.55Å; L247-M350 HydrophobicContact CD1-SD 4.4Å; L247-D351 PolarHBondContact O-N 3.4Å; L247-I376 HydrophobicContact CD2-CD1 3.52Å
248	R	85.4	Confident	83.8	Confident	10 Å²	10	35.6 Å²	35.6	4%	0.038	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.5	169.1	72.4	176	-176.2	-175.7	-4.3	111.5	Y254 E255 G358 Y360 D361 W373	R248-Y254 WeakPolarHBondContact O-CA 3.35Å; R248-E255 HydrophobicContact CG-CB 4Å; R248-E255 IonicContact CZ-OE2 3.7Å; R248-E255 PolarHBondContact N-O 3.48Å; R248-E255 IonicContact NE-OE2 2.81Å; R248-E255 PolarHBondContact NE-OE2 2.8Å; R248-E255 IonicContact NH2-OE2 3.05Å; R248-E255 PolarHBondContact NH2-OE2 2.73Å; R248-E255 PolarHBondContact O-N 2.73Å; R248-G358 VanDerWaalsContact CD-O 3.24Å; R248-G358 WeakPolarHBondContact CD-O 3.37Å; R248-G358 PolarHBondContact NH1-O 3.39Å; R248-Y360 PolarHBondContact NH1-O 2.71Å; R248-D361 IonicContact NH2-OD1 3.72Å; R248-W373 HydrophobicContact CB-CE3 4.43Å; R248-W373 HydrophobicContact CB-CH2 4.07Å; R248-W373 HydrophobicContact CB-CZ3 3.96Å; R248-W373 HydrophobicContact CG-CD2 4.04Å; R248-W373 HydrophobicContact CG-CE3 3.68Å; R248-W373 HydrophobicContact CG-CH2 4.13Å; R248-W373 HydrophobicContact CG-CZ2 4.45Å; R248-W373 HydrophobicContact CG-CZ3 3.72Å; R248-W373 VanDerWaalsContact NH1-CD1 3.3Å; R248-W373 VanDerWaalsContact NH2-CD1 3.28Å
249	G	82.9	Confident	83.4	Confident	13 Å²	13	38.6 Å²	38.6	13%	0.134	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.2	164	0	0	0	0	0	109.3	Q354	G249-Q354 VanDerWaalsContact O-CG 3.32Å; G249-Q354 WeakPolarHBondContact O-CG 3.4Å; G249-Q354 PolarHBondContact O-NE2 2.97Å
250	N	86.1	Confident	83.1	Confident	36 Å²	36	39 Å²	39	19%	0.193	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	110.8	179.1	-171.6	24.6	0	0	0	110.8	G252 V253 E255 Q354	N250-G252 VanDerWaalsContact C-N 3.25Å; N250-G252 PolarHBondContact O-N 2.86Å; N250-G252 VanDerWaalsContact O-N 3.16Å; N250-V253 PolarHBondContact N-O 3.49Å; N250-V253 PolarHBondContact O-N 3.16Å; N250-V253 VanDerWaalsContact O-O 3.13Å; N250-E255 HydrophobicContact CB-CG 4.32Å; N250-E255 PolarHBondContact ND2-OE1 3.03Å; N250-E255 PolarHBondContact ND2-OE2 2.89Å; N250-Q354 PolarHBondContact OD1-NE2 2.79Å
251	R	85.3	Confident	82.5	Confident	245 Å²	245	42.8 Å²	42.8	93%	0.925	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	42.7	177.2	-59.2	179	-177.5	176.6	1.1	114	V253	R251-V253 VanDerWaalsContact C-N 3.3Å; R251-V253 PolarHBondContact O-N 2.8Å
252	G	77.2	Confident	81.7	Confident	87 Å²	87	43.4 Å²	43.4	90%	0.897	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	-1.2	179.9	0	0	0	0	0	115.1	N250	N250-G252 VanDerWaalsContact C-N 3.25Å; N250-G252 PolarHBondContact O-N 2.86Å; N250-G252 VanDerWaalsContact O-N 3.16Å
253	V	78	Confident	81	Confident	63 Å²	63	44.7 Å²	44.7	38%	0.382	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.5	176.7	-178.2	0	0	0	0	109.6	N250 R251 S375	N250-V253 PolarHBondContact N-O 3.49Å; N250-V253 PolarHBondContact O-N 3.16Å; N250-V253 VanDerWaalsContact O-O 3.13Å; R251-V253 VanDerWaalsContact C-N 3.3Å; R251-V253 PolarHBondContact O-N 2.8Å; V253-S375 VanDerWaalsContact CG1-OG 3.24Å; V253-S375 WeakPolarHBondContact CG1-OG 3.47Å
254	Y	78	Confident	80.5	Confident	101 Å²	101	49.1 Å²	49.1	40%	0.396	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.5	169.8	-68.4	-62.4	0	0	0	111.1	R248 M350 I376	R248-Y254 WeakPolarHBondContact O-CA 3.35Å; Y254-M350 HydrophobicContact CD1-CE 3.56Å; Y254-M350 HydrophobicContact CE1-CE 3.12Å; Y254-I376 PolarHBondContact O-N 2.77Å
255	E	83.3	Confident	79.8	Confident	28 Å²	28	56.3 Å²	56.3	13%	0.131	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.1	178.6	-65.5	175.4	176.3	0	0	110.4	L247 R248 N250 W373 R374	L247-E255 WeakPolarHBondContact CA-O 3.19Å; R248-E255 HydrophobicContact CG-CB 4Å; R248-E255 IonicContact CZ-OE2 3.7Å; R248-E255 PolarHBondContact N-O 3.48Å; R248-E255 IonicContact NE-OE2 2.81Å; R248-E255 PolarHBondContact NE-OE2 2.8Å; R248-E255 IonicContact NH2-OE2 3.05Å; R248-E255 PolarHBondContact NH2-OE2 2.73Å; R248-E255 PolarHBondContact O-N 2.73Å; N250-E255 HydrophobicContact CB-CG 4.32Å; N250-E255 PolarHBondContact ND2-OE1 3.03Å; N250-E255 PolarHBondContact ND2-OE2 2.89Å; E255-W373 HydrophobicContact CB-CB 4.3Å; E255-W373 HydrophobicContact CB-CE3 4.28Å; E255-W373 WeakPolarHBondContact OE2-CB 3.38Å; E255-R374 CarbonylContact C-O 3.34Å; E255-R374 WeakPolarHBondContact CA-O 3.3Å
256	L	82.7	Confident	78.9	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.2	175.6	-177.1	69.8	0	0	0	109.4	I245 M246 L247 V258 L272 W373 R374 I376	I245-L256 HydrophobicContact CG2-CD1 3.79Å; M246-L256 WeakPolarHBondContact O-CD1 2.84Å; L247-L256 HydrophobicContact CD2-CB 4.19Å; L247-L256 HydrophobicContact CD2-CD1 3.55Å; L247-L256 HydrophobicContact CD2-CG 4.47Å; L247-L256 HydrophobicContact CG-CD1 4.19Å; L256-V258 HydrophobicContact CB-CG1 3.92Å; L256-V258 HydrophobicContact CD2-CG1 3.48Å; L256-V258 VanDerWaalsContact CD2-CG1 3.48Å; L256-V258 HydrophobicContact CG-CG1 3.53Å; L256-L272 HydrophobicContact CD2-CD1 3.59Å; L256-L272 HydrophobicContact CD2-CD2 4.12Å; L256-W373 CarbonylContact O-C 3.58Å; L256-W373 WeakPolarHBondContact O-CA 3.46Å; L256-R374 PolarHBondContact N-O 3.24Å; L256-R374 PolarHBondContact O-N 2.79Å; L256-I376 HydrophobicContact CB-CD1 4.13Å; L256-I376 HydrophobicContact CB-CG1 3.89Å
257	F	86.1	Confident	77.6	Confident	18 Å²	18	65.3 Å²	65.3	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.6	171.3	-162.2	-108.1	0	0	0	110	M246 L291 I295 F362 I369 Y371 G372 W373	M246-F257 HydrophobicContact CB-CB 3.86Å; M246-F257 HydrophobicContact CE-CB 4.12Å; M246-F257 HydrophobicContact CE-CD1 3.26Å; M246-F257 HydrophobicContact CE-CE1 3.84Å; M246-F257 HydrophobicContact CE-CG 3.93Å; M246-F257 PolarHBondContact O-N 3Å; F257-L291 HydrophobicContact CE1-CD1 4.37Å; F257-I295 HydrophobicContact CE1-CD1 4.5Å; F257-F362 HydrophobicContact CD2-CD2 4.44Å; F257-F362 HydrophobicContact CE2-CB 4.29Å; F257-F362 AromaticContact CE2-CD2 3.54Å; F257-F362 HydrophobicContact CE2-CD2 3.54Å; F257-F362 HydrophobicContact CE2-CE2 4.08Å; F257-F362 HydrophobicContact CE2-CG 4.03Å; F257-F362 HydrophobicContact CZ-CD2 4.11Å; F257-F362 HydrophobicContact CZ-CE2 4.41Å; F257-F362 HydrophobicContact CZ-CG 4.37Å; F257-I369 HydrophobicContact CZ-CD1 3.87Å; F257-Y371 HydrophobicContact CD1-CD1 4.47Å; F257-Y371 HydrophobicContact CD1-CG 4.45Å; F257-Y371 HydrophobicContact CE1-CD1 4.32Å; F257-Y371 AromaticContact CE1-CG 3.88Å; F257-Y371 HydrophobicContact CE1-CG 3.88Å; F257-Y371 VanDerWaalsContact CZ-CB 3.41Å; F257-Y371 HydrophobicContact CZ-CG 4.44Å; F257-G372 WeakPolarHBondContact CA-O 3.31Å; F257-W373 HydrophobicContact CB-CD2 4.38Å; F257-W373 HydrophobicContact CB-CE3 3.9Å; F257-W373 HydrophobicContact CB-CH2 4.15Å; F257-W373 HydrophobicContact CB-CZ3 3.78Å; F257-W373 AromaticContact CD2-CD2 3.8Å; F257-W373 HydrophobicContact CD2-CD2 3.8Å; F257-W373 AromaticContact CD2-CE2 3.8Å; F257-W373 HydrophobicContact CD2-CE3 4.19Å; F257-W373 HydrophobicContact CD2-CG 4.15Å; F257-W373 HydrophobicContact CD2-CZ2 4.17Å
258	V	81.2	Confident	76	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.024	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.7	-166.7	-57.9	0	0	0	0	112.2	L256 L260 W263 L272 Y371 G372 R374	L256-V258 HydrophobicContact CB-CG1 3.92Å; L256-V258 HydrophobicContact CD2-CG1 3.48Å; L256-V258 VanDerWaalsContact CD2-CG1 3.48Å; L256-V258 HydrophobicContact CG-CG1 3.53Å; V258-L260 PolarHBondContact O-N 2.83Å; V258-W263 HydrophobicContact CB-CE3 4.16Å; V258-W263 HydrophobicContact CG1-CE3 3.96Å; V258-W263 HydrophobicContact CG1-CZ3 4.12Å; V258-W263 HydrophobicContact CG2-CB 3.86Å; V258-W263 HydrophobicContact CG2-CD2 3.88Å; V258-W263 HydrophobicContact CG2-CE3 3.86Å; V258-W263 HydrophobicContact CG2-CG 3.89Å; V258-L272 HydrophobicContact CB-CD2 3.83Å; V258-L272 HydrophobicContact CG1-CD2 3.44Å; V258-L272 VanDerWaalsContact CG1-CD2 3.44Å; V258-Y371 CarbonylContact O-C 3.44Å; V258-Y371 WeakPolarHBondContact O-CA 3.5Å; V258-G372 PolarHBondContact N-O 2.9Å; V258-G372 PolarHBondContact O-N 3.23Å; V258-R374 HydrophobicContact CG2-CB 3.84Å; V258-R374 HydrophobicContact CG2-CG 3.37Å
259	K	80.9	Confident	74.3	Confident	87 Å²	87	69 Å²	69	38%	0.378	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	123.2	170.6	-166.6	173.9	-177	174.4	0	109.7	N261 A262 W263 S370 Y371	K259-N261 PolarHBondContact O-N 2.9Å; K259-A262 HydrophobicContact CB-CB 4.49Å; K259-A262 PolarHBondContact O-N 3.47Å; K259-W263 WeakPolarHBondContact O-CB 3.47Å; K259-W263 PolarHBondContact O-N 3.27Å; K259-S370 WeakPolarHBondContact CA-O 3.39Å; K259-Y371 HydrophobicContact CB-CD1 3.95Å; K259-Y371 HydrophobicContact CB-CE1 3.5Å; K259-Y371 VanDerWaalsContact CB-CE1 3.5Å; K259-Y371 HydrophobicContact CD-CE1 4.41Å; K259-Y371 HydrophobicContact CG-CD1 4.48Å; K259-Y371 HydrophobicContact CG-CE1 3.88Å
260	L	83.2	Confident	72.4	Confident	13 Å²	13	70 Å²	70	7%	0.068	35%	0.347	C	S	.	.	H	α-helix	trans	-67.3	-40.6	-168.9	-61.9	-179.1	0	0	0	113.4	V258 A262 W263 N264 E366 S370	V258-L260 PolarHBondContact O-N 2.83Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 2.77Å; L260-W263 PolarHBondContact O-N 3.41Å; L260-N264 VanDerWaalsContact O-CB 3.26Å; L260-N264 WeakPolarHBondContact O-CB 3.43Å; L260-N264 PolarHBondContact O-N 3.27Å; L260-N264 PolarHBondContact O-ND2 3.01Å; L260-E366 HydrophobicContact CD1-CB 3.49Å; L260-E366 VanDerWaalsContact CD1-CB 3.49Å; L260-E366 HydrophobicContact CD1-CG 3.68Å; L260-E366 WeakPolarHBondContact CD1-OE2 3.42Å; L260-S370 PolarHBondContact N-O 3.23Å
261	N	77.1	Confident	70.1	Confident	96 Å²	96	73 Å²	73	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-43.1	-179.4	-66.2	-2	0	0	0	111.6	K259 Q265	K259-N261 PolarHBondContact O-N 2.9Å; N261-Q265 WeakPolarHBondContact O-CB 3.46Å; N261-Q265 VanDerWaalsContact O-CG 3.25Å; N261-Q265 WeakPolarHBondContact O-CG 3.24Å; N261-Q265 PolarHBondContact O-N 3.07Å
262	A	67.9	Low	68.3	Low	18 Å²	18	62 Å²	62	15%	0.149	32%	0.318	C	S	.	.	H	α-helix	trans	-68	-44.8	177.1	0	0	0	0	0	111.2	K259 L260 N264 Q265 E266	K259-A262 HydrophobicContact CB-CB 4.49Å; K259-A262 PolarHBondContact O-N 3.47Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 2.77Å; A262-N264 PolarHBondContact O-N 2.92Å; A262-Q265 PolarHBondContact O-N 2.82Å; A262-E266 PolarHBondContact O-N 3.25Å
263	W	70.8	Confident	67.1	Low	28 Å²	28	66.9 Å²	66.9	11%	0.106	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-44	179	-175.6	-92	0	0	0	113	V258 K259 L260 K267 L272 R374 A379	V258-W263 HydrophobicContact CB-CE3 4.16Å; V258-W263 HydrophobicContact CG1-CE3 3.96Å; V258-W263 HydrophobicContact CG1-CZ3 4.12Å; V258-W263 HydrophobicContact CG2-CB 3.86Å; V258-W263 HydrophobicContact CG2-CD2 3.88Å; V258-W263 HydrophobicContact CG2-CE3 3.86Å; V258-W263 HydrophobicContact CG2-CG 3.89Å; K259-W263 WeakPolarHBondContact O-CB 3.47Å; K259-W263 PolarHBondContact O-N 3.27Å; L260-W263 PolarHBondContact O-N 3.41Å; W263-K267 WeakPolarHBondContact O-CA 3.42Å; W263-K267 PolarHBondContact O-N 3.32Å; W263-L272 HydrophobicContact CE3-CD2 4.2Å; W263-L272 HydrophobicContact CZ3-CD1 4.35Å; W263-L272 HydrophobicContact CZ3-CD2 4.47Å; W263-R374 HydrophobicContact CD2-CB 4Å; W263-R374 HydrophobicContact CD2-CG 3.94Å; W263-R374 HydrophobicContact CE3-CB 4.46Å; W263-R374 HydrophobicContact CG-CG 3.98Å; W263-R374 HydrophobicContact CH2-CB 3.92Å; W263-R374 HydrophobicContact CZ2-CB 3.49Å; W263-R374 VanDerWaalsContact CZ2-CB 3.49Å; W263-R374 HydrophobicContact CZ2-CG 4.2Å; W263-R374 HydrophobicContact CZ3-CB 4.41Å; W263-A379 HydrophobicContact CH2-CB 3.66Å; W263-A379 HydrophobicContact CZ2-CB 4.45Å; W263-A379 HydrophobicContact CZ3-CB 4.24Å
264	N	73	Confident	66.3	Low	98 Å²	98	65 Å²	65	52%	0.524	30%	0.297	S	S	.	.	H	α-helix	trans	-73.7	-31.4	-175.1	-69.6	-17.8	0	0	0	112.8	L260 A262	L260-N264 VanDerWaalsContact O-CB 3.26Å; L260-N264 WeakPolarHBondContact O-CB 3.43Å; L260-N264 PolarHBondContact O-N 3.27Å; L260-N264 PolarHBondContact O-ND2 3.01Å; A262-N264 PolarHBondContact O-N 2.92Å
265	Q	68.1	Low	65.9	Low	157 Å²	157	61.5 Å²	61.5	73%	0.734	28%	0.284	S	S	*	.	H	α-helix	trans	-75.1	-39.4	-179.3	-75.4	176.4	-8.9	0	0	112.5	N261 A262	N261-Q265 WeakPolarHBondContact O-CB 3.46Å; N261-Q265 VanDerWaalsContact O-CG 3.25Å; N261-Q265 WeakPolarHBondContact O-CG 3.24Å; N261-Q265 PolarHBondContact O-N 3.07Å; A262-Q265 PolarHBondContact O-N 2.82Å
266	E	61.5	Low	65.6	Low	75 Å²	75	64.6 Å²	64.6	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-117.5	-19.3	-166.3	-72.4	163.1	155.7	0	0	114	A262 K268 F271	A262-E266 PolarHBondContact O-N 3.25Å; E266-K268 HydrophobicContact CB-CB 4.5Å; E266-K268 WeakPolarHBondContact O-CB 3.23Å; E266-K268 VanDerWaalsContact O-CG 3.29Å; E266-K268 WeakPolarHBondContact O-CG 3.35Å; E266-K268 PolarHBondContact O-N 3.5Å; E266-F271 HydrophobicContact CB-CB 4.2Å; E266-F271 HydrophobicContact CB-CD2 4.27Å; E266-F271 HydrophobicContact CB-CG 4.41Å; E266-F271 VanDerWaalsContact CD-CG 3.46Å; E266-F271 HydrophobicContact CG-CB 4.47Å; E266-F271 HydrophobicContact CG-CD2 4.38Å; E266-F271 HydrophobicContact CG-CG 4.36Å; E266-F271 WeakPolarHBondContact OE1-CD1 3.36Å; E266-F271 WeakPolarHBondContact OE2-CB 3.14Å; E266-F271 WeakPolarHBondContact OE2-CD1 3.26Å; E266-F271 WeakPolarHBondContact OE2-CG 3.26Å
267	K	56.8	Low	65.6	Low	148 Å²	148	65.2 Å²	65.2	64%	0.643	30%	0.304	S	S	*	.			trans	42.1	21.6	-174.4	-66.7	-172.1	-178	178.5	0	114.6	W263 S380	W263-K267 WeakPolarHBondContact O-CA 3.42Å; W263-K267 PolarHBondContact O-N 3.32Å; K267-S380 PolarHBondContact O-OG 2.89Å
268	K	50.8	Low	65.5	Low	103 Å²	103	67.7 Å²	67.7	45%	0.448	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-117.7	125.3	-175	-81.4	175	179.7	-169.7	0	107.5	E266 D270 F271 S380	E266-K268 HydrophobicContact CB-CB 4.5Å; E266-K268 WeakPolarHBondContact O-CB 3.23Å; E266-K268 VanDerWaalsContact O-CG 3.29Å; E266-K268 WeakPolarHBondContact O-CG 3.35Å; E266-K268 PolarHBondContact O-N 3.5Å; K268-D270 HydrophobicContact CB-CB 4.22Å; K268-D270 PolarHBondContact O-N 2.65Å; K268-F271 HydrophobicContact CB-CD2 4.14Å; K268-F271 HydrophobicContact CD-CD2 4.45Å; K268-F271 HydrophobicContact CD-CE2 4.46Å; K268-F271 PolarHBondContact O-N 2.77Å; K268-F271 VanDerWaalsContact O-N 3.16Å; K268-S380 VanDerWaalsContact CG-OG 3.26Å; K268-S380 WeakPolarHBondContact CG-OG 3.48Å
269	L	50.3	Low	65.8	Low	19 Å²	19	67.7 Å²	67.7	10%	0.099	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-57.7	-26.9	169.7	-109.2	133.6	0	0	0	110.5	F271 L272 I376 A379 S380 V381	L269-F271 PolarHBondContact O-N 3Å; L269-F271 VanDerWaalsContact O-N 3.08Å; L269-L272 HydrophobicContact CB-CD1 4.07Å; L269-L272 HydrophobicContact CD2-CD1 3.28Å; L269-L272 HydrophobicContact CG-CD1 3.38Å; L269-L272 WeakPolarHBondContact O-CB 3.39Å; L269-L272 PolarHBondContact O-N 3.35Å; L269-I376 HydrophobicContact CD1-CG2 4.36Å; L269-A379 HydrophobicContact CD1-CB 3.15Å; L269-A379 HydrophobicContact CG-CB 4.03Å; L269-S380 WeakPolarHBondContact CB-O 3.37Å; L269-S380 PolarHBondContact N-O 3.3Å; L269-V381 HydrophobicContact CB-CB 4.38Å; L269-V381 HydrophobicContact CB-CG2 3.78Å; L269-V381 HydrophobicContact CD1-CG2 3.36Å; L269-V381 HydrophobicContact CD2-CG2 4.21Å; L269-V381 HydrophobicContact CG-CG2 3.96Å
270	D	41.8	Very low	66	Low	35 Å²	35	65.5 Å²	65.5	19%	0.187	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-53.3	-29.7	176	-64.6	-34.6	0	0	0	114.1	K268 G382 W385 S388	K268-D270 HydrophobicContact CB-CB 4.22Å; K268-D270 PolarHBondContact O-N 2.65Å; D270-G382 WeakPolarHBondContact OD1-CA 2.85Å; D270-G382 PolarHBondContact OD1-N 3.49Å; D270-G382 WeakPolarHBondContact OD2-CA 3.49Å; D270-G382 PolarHBondContact OD2-N 2.86Å; D270-G382 VanDerWaalsContact OD2-N 3.07Å; D270-W385 PolarHBondContact OD1-N 3.08Å; D270-S388 WeakPolarHBondContact O-CB 3.31Å; D270-S388 PolarHBondContact O-OG 2.74Å
271	F	39.3	Very low	66.2	Low	99 Å²	99	68.8 Å²	68.8	43%	0.434	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-112.4	19.1	-179.5	-67.7	-91.6	0	0	0	113.4	E266 K268 L269 R273	E266-F271 HydrophobicContact CB-CB 4.2Å; E266-F271 HydrophobicContact CB-CD2 4.27Å; E266-F271 HydrophobicContact CB-CG 4.41Å; E266-F271 VanDerWaalsContact CD-CG 3.46Å; E266-F271 HydrophobicContact CG-CB 4.47Å; E266-F271 HydrophobicContact CG-CD2 4.38Å; E266-F271 HydrophobicContact CG-CG 4.36Å; E266-F271 WeakPolarHBondContact OE1-CD1 3.36Å; E266-F271 WeakPolarHBondContact OE2-CB 3.14Å; E266-F271 WeakPolarHBondContact OE2-CD1 3.26Å; E266-F271 WeakPolarHBondContact OE2-CG 3.26Å; K268-F271 HydrophobicContact CB-CD2 4.14Å; K268-F271 HydrophobicContact CD-CD2 4.45Å; K268-F271 HydrophobicContact CD-CE2 4.46Å; K268-F271 PolarHBondContact O-N 2.77Å; K268-F271 VanDerWaalsContact O-N 3.16Å; L269-F271 PolarHBondContact O-N 3Å; L269-F271 VanDerWaalsContact O-N 3.08Å; F271-R273 PolarHBondContact O-N 3.5Å
272	L	47.4	Very low	66.6	Low	14 Å²	14	64.9 Å²	64.9	7%	0.073	30%	0.304	C	S	.	.			trans	-63.1	88.3	165.8	-87.1	160.4	0	0	0	108.8	L256 V258 W263 L269 L274	L256-L272 HydrophobicContact CD2-CD1 3.59Å; L256-L272 HydrophobicContact CD2-CD2 4.12Å; V258-L272 HydrophobicContact CB-CD2 3.83Å; V258-L272 HydrophobicContact CG1-CD2 3.44Å; V258-L272 VanDerWaalsContact CG1-CD2 3.44Å; W263-L272 HydrophobicContact CE3-CD2 4.2Å; W263-L272 HydrophobicContact CZ3-CD1 4.35Å; W263-L272 HydrophobicContact CZ3-CD2 4.47Å; L269-L272 HydrophobicContact CB-CD1 4.07Å; L269-L272 HydrophobicContact CD2-CD1 3.28Å; L269-L272 HydrophobicContact CG-CD1 3.38Å; L269-L272 WeakPolarHBondContact O-CB 3.39Å; L269-L272 PolarHBondContact O-N 3.35Å; L272-L274 HydrophobicContact CB-CD2 4.44Å; L272-L274 PolarHBondContact O-N 3.26Å
273	R	52	Low	67.4	Low	189 Å²	189	67.8 Å²	67.8	71%	0.713	32%	0.317	S	S	*	.			trans	-61.8	87.8	155.3	-67.7	-171.5	-179.1	-155	1.2	105.3	F271	F271-R273 PolarHBondContact O-N 3.5Å
274	L	59.8	Low	68.1	Low	25 Å²	25	72.3 Å²	72.3	13%	0.131	34%	0.338	C	S	.	.			trans	-51	146.8	173	-68.2	179.5	0	0	0	107.7	I243 I245 L272 Q276 I389	I243-L274 HydrophobicContact CG2-CB 3.84Å; I243-L274 HydrophobicContact CG2-CD1 3.92Å; I245-L274 HydrophobicContact CD1-CD1 3.76Å; I245-L274 HydrophobicContact CG1-CD1 3.78Å; I245-L274 HydrophobicContact CG1-CD2 4.19Å; L272-L274 HydrophobicContact CB-CD2 4.44Å; L272-L274 PolarHBondContact O-N 3.26Å; L274-Q276 PolarHBondContact O-N 2.88Å; L274-I389 HydrophobicContact CD1-CB 4.21Å; L274-I389 HydrophobicContact CD1-CD1 4.35Å; L274-I389 HydrophobicContact CD1-CG1 3.74Å; L274-I389 HydrophobicContact CD1-CG2 3.82Å
275	F	69.3	Low	68.8	Low	27 Å²	27	68 Å²	68	12%	0.118	31%	0.314	C	S	.	.			trans	-54.5	124.6	171.3	-178.9	-88.9	0	0	0	107.5	I243 P244 L287 L291 Y371	I243-F275 WeakPolarHBondContact CA-O 3.47Å; P244-F275 VanDerWaalsContact CD-O 3.31Å; P244-F275 WeakPolarHBondContact CD-O 3.49Å; P244-F275 HydrophobicContact CG-CB 4.32Å; P244-F275 HydrophobicContact CG-CD1 3.72Å; P244-F275 HydrophobicContact CG-CG 4.39Å; F275-L287 VanDerWaalsContact CD1-O 3.25Å; F275-L287 WeakPolarHBondContact CD1-O 3.48Å; F275-L287 WeakPolarHBondContact CE1-O 3.47Å; F275-L291 HydrophobicContact CB-CD2 4.41Å; F275-L291 HydrophobicContact CD1-CD2 3.97Å; F275-L291 HydrophobicContact CD2-CB 4.27Å; F275-L291 HydrophobicContact CD2-CD2 3.79Å; F275-L291 HydrophobicContact CE1-CB 3.99Å; F275-L291 HydrophobicContact CE1-CD2 4.21Å; F275-L291 HydrophobicContact CE2-CB 3.62Å; F275-L291 HydrophobicContact CE2-CD2 4.03Å; F275-L291 HydrophobicContact CE2-CG 4.38Å; F275-L291 HydrophobicContact CG-CD2 3.76Å; F275-L291 HydrophobicContact CZ-CB 3.45Å; F275-L291 VanDerWaalsContact CZ-CB 3.45Å; F275-L291 HydrophobicContact CZ-CD2 4.22Å; F275-L291 HydrophobicContact CZ-CG 4.47Å; F275-Y371 HydrophobicContact CB-CE1 4.23Å; F275-Y371 AromaticContact CD2-CE1 3.92Å; F275-Y371 HydrophobicContact CD2-CE1 3.92Å; F275-Y371 HydrophobicContact CD2-CE2 4.18Å; F275-Y371 AromaticContact CD2-CZ 3.55Å; F275-Y371 VanDerWaalsContact CD2-OH 3.3Å; F275-Y371 WeakPolarHBondContact CD2-OH 3.4Å; F275-Y371 HydrophobicContact CE2-CE2 4.48Å
276	Q	76.7	Confident	69.7	Low	92 Å²	92	60.9 Å²	60.9	43%	0.43	28%	0.281	S	S	.	.			trans	-135.5	132.3	173.4	71.6	179.5	24.2	0	0	106.9	L241 V242 I243 L274	L241-Q276 HydrophobicContact CD1-CB 3.86Å; L241-Q276 HydrophobicContact CD1-CG 4.29Å; V242-Q276 WeakPolarHBondContact O-CA 3.4Å; I243-Q276 HydrophobicContact CG1-CB 3.99Å; L274-Q276 PolarHBondContact O-N 2.88Å
277	S	83.2	Confident	71	Confident	25 Å²	25	57.3 Å²	57.3	18%	0.175	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.9	174.2	-169.2	0	0	0	0	112.6	V242 E289	V242-S277 PolarHBondContact N-O 3.28Å; V242-S277 PolarHBondContact O-N 2.82Å; V242-S277 VanDerWaalsContact O-N 3.12Å; S277-E289 WeakPolarHBondContact CB-O 3.42Å; S277-E289 PolarHBondContact OG-O 2.5Å
278	F	84.7	Confident	72.4	Confident	69 Å²	69	50.2 Å²	50.2	30%	0.303	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.4	172.9	-66.8	-78.8	0	0	0	110.1	T239 Y240 L241 R335 V342	T239-F278 HydrophobicContact CG2-CB 4.18Å; T239-F278 HydrophobicContact CG2-CD1 3.81Å; T239-F278 HydrophobicContact CG2-CG 4.4Å; Y240-F278 CarbonylContact O-C 3.36Å; Y240-F278 VanDerWaalsContact O-CA 3.25Å; Y240-F278 WeakPolarHBondContact O-CA 3.4Å; L241-F278 HydrophobicContact CB-CD1 4.21Å; L241-F278 HydrophobicContact CB-CE1 3.76Å; L241-F278 HydrophobicContact CB-CZ 4.19Å; L241-F278 HydrophobicContact CD1-CD1 4.36Å; L241-F278 HydrophobicContact CD1-CD2 4.32Å; L241-F278 HydrophobicContact CD1-CE1 3.98Å; L241-F278 HydrophobicContact CD1-CE2 3.91Å; L241-F278 HydrophobicContact CD1-CG 4.49Å; L241-F278 HydrophobicContact CD1-CZ 3.66Å; L241-F278 HydrophobicContact CD2-CE1 4.46Å; L241-F278 HydrophobicContact CD2-CZ 4.11Å; L241-F278 HydrophobicContact CG-CE1 4.28Å; L241-F278 HydrophobicContact CG-CZ 4.21Å; F278-R335 VanDerWaalsContact CZ-CZ 3.47Å; F278-V342 HydrophobicContact CE1-CG1 3.87Å; F278-V342 HydrophobicContact CE1-CG2 4.08Å
279	T	87.3	Confident	74	Confident	4 Å²	4	49.1 Å²	49.1	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	150	168.4	-168.7	0	0	0	0	109.6	Y240 V242 L281 P282 N285 E289	Y240-T279 WeakPolarHBondContact CA-O 3.22Å; Y240-T279 WeakPolarHBondContact CB-O 3.17Å; Y240-T279 PolarHBondContact N-O 3.5Å; Y240-T279 PolarHBondContact O-N 2.84Å; V242-T279 HydrophobicContact CG2-CG2 3.71Å; T279-L281 PolarHBondContact OG1-N 3.3Å; T279-P282 HydrophobicContact CG2-CB 4.42Å; T279-N285 HydrophobicContact CG2-CB 4.07Å; T279-N285 PolarHBondContact OG1-ND2 2.84Å; T279-E289 PolarHBondContact OG1-OE2 3.31Å
280	N	84.6	Confident	75.8	Confident	42 Å²	42	52.3 Å²	52.3	23%	0.225	25%	0.252	C	S	.	.	S	Bend	trans	-92.5	-7.5	173.3	-61.5	-38.5	0	0	0	111.9	E235 P282	E235-N280 HydrophobicContact CG-CB 4.41Å; E235-N280 VanDerWaalsContact CG-ND2 3.27Å; E235-N280 WeakPolarHBondContact CG-ND2 3.27Å; N280-P282 WeakPolarHBondContact O-CD 3.33Å
281	L	86.9	Confident	78.1	Confident	82 Å²	82	50.9 Å²	50.9	43%	0.429	24%	0.244	S	C	.	.			trans	-125.8	66.5	-175.6	-61.1	175.9	0	0	0	111.1	T279 D283 K284 N285	T279-L281 PolarHBondContact OG1-N 3.3Å; L281-D283 PolarHBondContact O-N 3.42Å; L281-K284 HydrophobicContact CB-CB 4.03Å; L281-K284 HydrophobicContact CD1-CD 4.23Å; L281-K284 PolarHBondContact O-N 2.96Å; L281-K284 VanDerWaalsContact O-N 3.09Å; L281-N285 WeakPolarHBondContact O-CB 3.02Å; L281-N285 PolarHBondContact O-N 2.89Å
282	P	86	Confident	80.5	Confident	13 Å²	13	46.3 Å²	46.3	8%	0.084	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30	-174.9	26.9	-37	0	0	0	113.1	Y240 V242 T279 N280 N285 F286 I345	Y240-P282 HydrophobicContact CD1-CB 4.42Å; Y240-P282 HydrophobicContact CD1-CG 3.97Å; Y240-P282 HydrophobicContact CD2-CB 4.36Å; Y240-P282 VanDerWaalsContact CD2-CD 3.41Å; Y240-P282 HydrophobicContact CD2-CG 3.57Å; Y240-P282 HydrophobicContact CE1-CG 4.09Å; Y240-P282 HydrophobicContact CE2-CG 3.72Å; Y240-P282 HydrophobicContact CG-CB 4.07Å; Y240-P282 HydrophobicContact CG-CG 3.67Å; V242-P282 HydrophobicContact CG2-CB 4.21Å; T279-P282 HydrophobicContact CG2-CB 4.42Å; N280-P282 WeakPolarHBondContact O-CD 3.33Å; P282-N285 CarbonylContact O-C 3.54Å; P282-N285 VanDerWaalsContact O-C 3.23Å; P282-F286 WeakPolarHBondContact O-CA 3.47Å; P282-F286 PolarHBondContact O-N 2.93Å; P282-I345 HydrophobicContact CB-CD1 3.68Å; P282-I345 HydrophobicContact CG-CD1 4.08Å
283	D	84.2	Confident	82.7	Confident	80 Å²	80	47.3 Å²	47.3	43%	0.428	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-40.3	177	-49.3	-45.1	0	0	0	111.7	L281 R316	L281-D283 PolarHBondContact O-N 3.42Å; D283-R316 WeakPolarHBondContact O-CD 3.44Å; D283-R316 PolarHBondContact O-NE 2.77Å
284	K	85.6	Confident	84.6	Confident	123 Å²	123	41.4 Å²	41.4	54%	0.535	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-46.7	176.3	-173.8	-177.6	176.1	-171.4	0	110.1	L281 R316	L281-K284 HydrophobicContact CB-CB 4.03Å; L281-K284 HydrophobicContact CD1-CD 4.23Å; L281-K284 PolarHBondContact O-N 2.96Å; L281-K284 VanDerWaalsContact O-N 3.09Å; K284-R316 PolarHBondContact O-NH2 3.29Å
285	N	88.7	Confident	86.2	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	22%	0.215	C	C	.	.			trans	-106.4	57.5	-172.9	-59.7	-44.8	0	0	0	110.9	T279 L281 P282 L287 G288 E289 T292	T279-N285 HydrophobicContact CG2-CB 4.07Å; T279-N285 PolarHBondContact OG1-ND2 2.84Å; L281-N285 WeakPolarHBondContact O-CB 3.02Å; L281-N285 PolarHBondContact O-N 2.89Å; P282-N285 CarbonylContact O-C 3.54Å; P282-N285 VanDerWaalsContact O-C 3.23Å; N285-L287 PolarHBondContact O-N 2.82Å; N285-L287 VanDerWaalsContact O-N 3.16Å; N285-G288 VanDerWaalsContact O-CA 3.29Å; N285-G288 WeakPolarHBondContact O-CA 3.23Å; N285-G288 PolarHBondContact O-N 2.78Å; N285-E289 HydrophobicContact CB-CG 3.93Å; N285-E289 VanDerWaalsContact CG-CD 3.48Å; N285-E289 WeakPolarHBondContact ND2-CG 2.91Å; N285-E289 PolarHBondContact ND2-OE1 2.7Å; N285-E289 PolarHBondContact ND2-OE2 2.82Å; N285-T292 WeakPolarHBondContact CA-OG1 3.47Å
286	F	86.6	Confident	87.4	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.031	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.1	-174	65.9	-87.6	0	0	0	114	V242 P282 T292 L312 T315 R316 A319 Y349	V242-F286 WeakPolarHBondContact CG1-O 3.47Å; P282-F286 WeakPolarHBondContact O-CA 3.47Å; P282-F286 PolarHBondContact O-N 2.93Å; F286-T292 HydrophobicContact CD1-CG2 4.29Å; F286-T292 HydrophobicContact CE1-CG2 4.02Å; F286-L312 HydrophobicContact CE1-CD2 4.46Å; F286-L312 HydrophobicContact CZ-CD2 4.07Å; F286-T315 HydrophobicContact CD2-CG2 4.42Å; F286-T315 HydrophobicContact CE2-CG2 3.48Å; F286-T315 VanDerWaalsContact CE2-CG2 3.48Å; F286-T315 HydrophobicContact CZ-CG2 4Å; F286-R316 HydrophobicContact CD1-CB 4.13Å; F286-R316 HydrophobicContact CD1-CG 4.3Å; F286-R316 HydrophobicContact CE1-CB 4.21Å; F286-A319 HydrophobicContact CB-CB 4.21Å; F286-A319 HydrophobicContact CD2-CB 4.44Å; F286-Y349 PolarHBondContact O-OH 2.78Å
287	L	88.1	Confident	88.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	11.8	168	-52.8	176.9	0	0	0	112.2	P244 M246 F275 N285 L291 T292 I295 Y349 L357	P244-L287 HydrophobicContact CB-CB 4.48Å; P244-L287 HydrophobicContact CB-CD2 3.74Å; P244-L287 HydrophobicContact CG-CB 4.22Å; P244-L287 HydrophobicContact CG-CD2 4.32Å; M246-L287 HydrophobicContact CE-CD1 4.29Å; M246-L287 HydrophobicContact CE-CD2 4.2Å; M246-L287 HydrophobicContact CG-CD2 4.23Å; M246-L287 HydrophobicContact SD-CD1 3.95Å; M246-L287 HydrophobicContact SD-CD2 3.63Å; M246-L287 HydrophobicContact SD-CG 4.44Å; F275-L287 VanDerWaalsContact CD1-O 3.25Å; F275-L287 WeakPolarHBondContact CD1-O 3.48Å; F275-L287 WeakPolarHBondContact CE1-O 3.47Å; N285-L287 PolarHBondContact O-N 2.82Å; N285-L287 VanDerWaalsContact O-N 3.16Å; L287-L291 HydrophobicContact CB-CD2 4.2Å; L287-L291 HydrophobicContact CB-CG 4.33Å; L287-T292 WeakPolarHBondContact CB-OG1 3.22Å; L287-T292 PolarHBondContact N-OG1 3.07Å; L287-T292 VanDerWaalsContact N-OG1 3.14Å; L287-I295 HydrophobicContact CD1-CD1 3.65Å; L287-Y349 HydrophobicContact CD2-CD2 4.12Å; L287-Y349 HydrophobicContact CD2-CE2 3.74Å; L287-L357 HydrophobicContact CD1-CD1 3.76Å
288	G	87.1	Confident	88.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.			trans	69.4	173.7	-168.1	0	0	0	0	0	114.1	N285 L291 T292	N285-G288 VanDerWaalsContact O-CA 3.29Å; N285-G288 WeakPolarHBondContact O-CA 3.23Å; N285-G288 PolarHBondContact O-N 2.78Å; G288-L291 PolarHBondContact O-N 2.84Å; G288-T292 WeakPolarHBondContact O-CB 3.39Å; G288-T292 PolarHBondContact O-N 2.87Å; G288-T292 PolarHBondContact O-OG1 2.81Å
289	E	84.4	Confident	89.2	Confident	80 Å²	80	42.2 Å²	42.2	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	145.9	175.2	-79.1	168	147.1	0	0	111	S277 T279 N285 L291	S277-E289 WeakPolarHBondContact CB-O 3.42Å; S277-E289 PolarHBondContact OG-O 2.5Å; T279-E289 PolarHBondContact OG1-OE2 3.31Å; N285-E289 HydrophobicContact CB-CG 3.93Å; N285-E289 VanDerWaalsContact CG-CD 3.48Å; N285-E289 WeakPolarHBondContact ND2-CG 2.91Å; N285-E289 PolarHBondContact ND2-OE1 2.7Å; N285-E289 PolarHBondContact ND2-OE2 2.82Å; E289-L291 VanDerWaalsContact C-N 3.31Å
290	P	88	Confident	89.6	Confident	86 Å²	86	46.3 Å²	46.3	56%	0.558	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.4	2.5	-3.4	35.1	-35.8	0	0	0	113.3	T292 G293 N294	P290-T292 PolarHBondContact O-N 3.47Å; P290-G293 PolarHBondContact O-N 2.8Å; P290-G293 VanDerWaalsContact O-N 3.08Å; P290-N294 PolarHBondContact O-N 2.85Å
291	L	89.1	Confident	90	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-44.1	-169.1	-178.3	60.9	0	0	0	113.3	M246 F257 F275 L287 G288 E289 G293 N294 I295 Y371	M246-L291 HydrophobicContact CE-CD2 4.19Å; F257-L291 HydrophobicContact CE1-CD1 4.37Å; F275-L291 HydrophobicContact CB-CD2 4.41Å; F275-L291 HydrophobicContact CD1-CD2 3.97Å; F275-L291 HydrophobicContact CD2-CB 4.27Å; F275-L291 HydrophobicContact CD2-CD2 3.79Å; F275-L291 HydrophobicContact CE1-CB 3.99Å; F275-L291 HydrophobicContact CE1-CD2 4.21Å; F275-L291 HydrophobicContact CE2-CB 3.62Å; F275-L291 HydrophobicContact CE2-CD2 4.03Å; F275-L291 HydrophobicContact CE2-CG 4.38Å; F275-L291 HydrophobicContact CG-CD2 3.76Å; F275-L291 HydrophobicContact CZ-CB 3.45Å; F275-L291 VanDerWaalsContact CZ-CB 3.45Å; F275-L291 HydrophobicContact CZ-CD2 4.22Å; F275-L291 HydrophobicContact CZ-CG 4.47Å; L287-L291 HydrophobicContact CB-CD2 4.2Å; L287-L291 HydrophobicContact CB-CG 4.33Å; G288-L291 PolarHBondContact O-N 2.84Å; E289-L291 VanDerWaalsContact C-N 3.31Å; L291-G293 VanDerWaalsContact C-N 3.34Å; L291-G293 PolarHBondContact O-N 2.97Å; L291-N294 PolarHBondContact O-N 2.78Å; L291-I295 HydrophobicContact CD1-CD1 3.77Å; L291-I295 HydrophobicContact CD1-CG1 4.04Å; L291-I295 HydrophobicContact CG-CD1 3.91Å; L291-I295 WeakPolarHBondContact O-CB 3.25Å; L291-I295 WeakPolarHBondContact O-CG1 3.38Å; L291-I295 PolarHBondContact O-N 3.12Å; L291-Y371 HydrophobicContact CD1-CD2 3.98Å; L291-Y371 HydrophobicContact CD1-CE2 4.38Å
292	T	91.3	Very high	90.3	Very high	4 Å²	4	49 Å²	49	3%	0.025	25%	0.25	C	S	.	.	H	α-helix	trans	-56.8	-48.2	177.1	-52.6	0	0	0	0	111.2	N285 F286 L287 G288 P290 E296	N285-T292 WeakPolarHBondContact CA-OG1 3.47Å; F286-T292 HydrophobicContact CD1-CG2 4.29Å; F286-T292 HydrophobicContact CE1-CG2 4.02Å; L287-T292 WeakPolarHBondContact CB-OG1 3.22Å; L287-T292 PolarHBondContact N-OG1 3.07Å; L287-T292 VanDerWaalsContact N-OG1 3.14Å; G288-T292 WeakPolarHBondContact O-CB 3.39Å; G288-T292 PolarHBondContact O-N 2.87Å; G288-T292 PolarHBondContact O-OG1 2.81Å; P290-T292 PolarHBondContact O-N 3.47Å; T292-E296 WeakPolarHBondContact O-CB 3.3Å; T292-E296 PolarHBondContact O-N 3.06Å
293	G	92.1	Very high	90.7	Very high	35 Å²	35	55.2 Å²	55.2	36%	0.361	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-38.3	179.9	0	0	0	0	0	113.4	P290 L291 E296 R297	P290-G293 PolarHBondContact O-N 2.8Å; P290-G293 VanDerWaalsContact O-N 3.08Å; L291-G293 VanDerWaalsContact C-N 3.34Å; L291-G293 PolarHBondContact O-N 2.97Å; G293-E296 PolarHBondContact O-N 2.77Å; G293-R297 WeakPolarHBondContact O-CB 3.47Å; G293-R297 PolarHBondContact O-N 3.46Å
294	N	92.6	Very high	91.2	Very high	65 Å²	65	52.9 Å²	52.9	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-45.5	176.8	-74.5	-10.3	0	0	0	111.7	P290 L291 R297 I298 I369	P290-N294 PolarHBondContact O-N 2.85Å; L291-N294 PolarHBondContact O-N 2.78Å; N294-R297 PolarHBondContact O-N 2.86Å; N294-I298 WeakPolarHBondContact O-CD1 3.36Å; N294-I298 WeakPolarHBondContact O-CG1 3.41Å; N294-I298 PolarHBondContact O-N 3.31Å; N294-I369 HydrophobicContact CB-CG2 4.27Å
295	I	93	Very high	91.6	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-46.1	174.8	-73	173.9	0	0	0	110	F257 L287 L291 R297 I298 L299 L312 L357 F362	F257-I295 HydrophobicContact CE1-CD1 4.5Å; L287-I295 HydrophobicContact CD1-CD1 3.65Å; L291-I295 HydrophobicContact CD1-CD1 3.77Å; L291-I295 HydrophobicContact CD1-CG1 4.04Å; L291-I295 HydrophobicContact CG-CD1 3.91Å; L291-I295 WeakPolarHBondContact O-CB 3.25Å; L291-I295 WeakPolarHBondContact O-CG1 3.38Å; L291-I295 PolarHBondContact O-N 3.12Å; I295-R297 VanDerWaalsContact C-N 3.35Å; I295-R297 PolarHBondContact O-N 3.43Å; I295-I298 PolarHBondContact O-N 2.87Å; I295-L299 HydrophobicContact CG2-CD1 3.66Å; I295-L299 HydrophobicContact CG2-CG 4.12Å; I295-L299 WeakPolarHBondContact O-CB 3.48Å; I295-L299 VanDerWaalsContact O-CG 3.24Å; I295-L299 WeakPolarHBondContact O-CG 3.45Å; I295-L299 PolarHBondContact O-N 2.89Å; I295-L312 HydrophobicContact CG2-CD2 4.49Å; I295-L357 HydrophobicContact CG2-CD2 3.86Å; I295-F362 HydrophobicContact CG1-CE1 4.24Å; I295-F362 HydrophobicContact CG1-CZ 4.25Å; I295-F362 HydrophobicContact CG2-CE1 4.46Å; I295-F362 HydrophobicContact CG2-CZ 4.13Å
296	E	94.3	Very high	91.8	Very high	57 Å²	57	54.9 Å²	54.9	27%	0.266	30%	0.297	S	S	.	.	H	α-helix	trans	-56.2	-49.1	176.6	-179.1	176.9	173.2	0	0	111.8	T292 G293 I298 L299 R300 T308 L312	T292-E296 WeakPolarHBondContact O-CB 3.3Å; T292-E296 PolarHBondContact O-N 3.06Å; G293-E296 PolarHBondContact O-N 2.77Å; E296-I298 PolarHBondContact O-N 3.41Å; E296-L299 PolarHBondContact O-N 3.03Å; E296-R300 HydrophobicContact CG-CG 4.43Å; E296-R300 WeakPolarHBondContact O-CB 3.42Å; E296-R300 WeakPolarHBondContact O-CG 3.47Å; E296-R300 PolarHBondContact O-N 3.42Å; E296-R300 IonicContact OE1-CZ 3.94Å; E296-R300 VanDerWaalsContact OE1-CZ 3.24Å; E296-R300 IonicContact OE1-NE 2.73Å; E296-R300 PolarHBondContact OE1-NE 3.05Å; E296-R300 IonicContact OE1-NH2 3.24Å; E296-R300 PolarHBondContact OE1-NH2 3.35Å; E296-T308 HydrophobicContact CG-CG2 4.13Å; E296-L312 HydrophobicContact CB-CD1 3.71Å; E296-L312 HydrophobicContact CG-CD1 3.63Å
297	R	94.5	Very high	92.1	Very high	178 Å²	178	58 Å²	58	67%	0.672	31%	0.309	S	S	*	.	H	α-helix	trans	-58.7	-46.9	179.1	-177.3	178.6	179.1	130.9	-0.4	111.6	G293 N294 I295 R300 I301	G293-R297 WeakPolarHBondContact O-CB 3.47Å; G293-R297 PolarHBondContact O-N 3.46Å; N294-R297 PolarHBondContact O-N 2.86Å; I295-R297 VanDerWaalsContact C-N 3.35Å; I295-R297 PolarHBondContact O-N 3.43Å; R297-R300 PolarHBondContact O-N 3.31Å; R297-I301 HydrophobicContact CG-CD1 4.09Å; R297-I301 WeakPolarHBondContact O-CG1 3.23Å; R297-I301 PolarHBondContact O-N 3.5Å; R297-I301 VanDerWaalsContact O-N 3.13Å
298	I	94.2	Very high	92.3	Very high	18 Å²	18	58 Å²	58	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-49.2	179.6	-76	162.7	0	0	0	111	N294 I295 E296 R300 I301 A302 Y360 F362 E365 I369	N294-I298 WeakPolarHBondContact O-CD1 3.36Å; N294-I298 WeakPolarHBondContact O-CG1 3.41Å; N294-I298 PolarHBondContact O-N 3.31Å; I295-I298 PolarHBondContact O-N 2.87Å; E296-I298 PolarHBondContact O-N 3.41Å; I298-R300 VanDerWaalsContact C-N 3.32Å; I298-R300 PolarHBondContact O-N 2.68Å; I298-I301 PolarHBondContact O-N 3.38Å; I298-I301 VanDerWaalsContact O-N 3.17Å; I298-A302 WeakPolarHBondContact O-CB 3.29Å; I298-A302 PolarHBondContact O-N 3.36Å; I298-Y360 HydrophobicContact CG2-CE1 4.13Å; I298-F362 HydrophobicContact CG2-CD1 4.42Å; I298-F362 HydrophobicContact CG2-CE1 4.25Å; I298-E365 HydrophobicContact CD1-CB 3.92Å; I298-E365 HydrophobicContact CD1-CG 4.22Å; I298-E365 HydrophobicContact CG1-CG 4.28Å; I298-E365 HydrophobicContact CG2-CB 4.4Å; I298-E365 HydrophobicContact CG2-CG 3.75Å; I298-I369 HydrophobicContact CD1-CG2 3.12Å
299	L	94.6	Very high	92.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-38.6	-178.8	-65	179	0	0	0	111.3	I295 E296 I301 A302 R303 G304 W307 T308 L357 Y360 F362	I295-L299 HydrophobicContact CG2-CD1 3.66Å; I295-L299 HydrophobicContact CG2-CG 4.12Å; I295-L299 WeakPolarHBondContact O-CB 3.48Å; I295-L299 VanDerWaalsContact O-CG 3.24Å; I295-L299 WeakPolarHBondContact O-CG 3.45Å; I295-L299 PolarHBondContact O-N 2.89Å; E296-L299 PolarHBondContact O-N 3.03Å; L299-I301 VanDerWaalsContact C-N 3.32Å; L299-I301 PolarHBondContact O-N 2.79Å; L299-A302 PolarHBondContact O-N 3.49Å; L299-R303 WeakPolarHBondContact O-CA 3.26Å; L299-R303 WeakPolarHBondContact O-CB 3.44Å; L299-R303 PolarHBondContact O-N 2.77Å; L299-G304 PolarHBondContact O-N 2.78Å; L299-W307 HydrophobicContact CB-CZ3 4.23Å; L299-W307 HydrophobicContact CD1-CZ3 3.96Å; L299-W307 HydrophobicContact CD2-CH2 4.34Å; L299-W307 HydrophobicContact CD2-CZ3 3.76Å; L299-W307 HydrophobicContact CG-CZ3 4.16Å; L299-T308 HydrophobicContact CB-CG2 3.66Å; L299-T308 WeakPolarHBondContact CB-OG1 3.16Å; L299-T308 HydrophobicContact CD1-CG2 4.45Å; L299-T308 PolarHBondContact O-OG1 2.89Å; L299-T308 VanDerWaalsContact O-OG1 3.07Å; L299-L357 HydrophobicContact CD1-CD2 3.75Å; L299-Y360 HydrophobicContact CD2-CD1 3.84Å; L299-Y360 HydrophobicContact CD2-CD2 3.61Å; L299-Y360 HydrophobicContact CD2-CE1 4.26Å; L299-Y360 HydrophobicContact CD2-CE2 4.05Å; L299-Y360 HydrophobicContact CD2-CG 3.5Å; L299-F362 HydrophobicContact CD2-CE1 4.46Å; L299-F362 HydrophobicContact CD2-CZ 4.42Å
300	R	95.8	Very high	93	Very high	91 Å²	91	62.2 Å²	62.2	34%	0.343	33%	0.33	S	S	.	.	H	α-helix	trans	-59	-42.3	174.7	-77.3	-179.4	-177.1	-85.8	-0.2	111.8	E296 R297 I298 G304 S305 T308 E309	E296-R300 HydrophobicContact CG-CG 4.43Å; E296-R300 WeakPolarHBondContact O-CB 3.42Å; E296-R300 WeakPolarHBondContact O-CG 3.47Å; E296-R300 PolarHBondContact O-N 3.42Å; E296-R300 IonicContact OE1-CZ 3.94Å; E296-R300 VanDerWaalsContact OE1-CZ 3.24Å; E296-R300 IonicContact OE1-NE 2.73Å; E296-R300 PolarHBondContact OE1-NE 3.05Å; E296-R300 IonicContact OE1-NH2 3.24Å; E296-R300 PolarHBondContact OE1-NH2 3.35Å; R297-R300 PolarHBondContact O-N 3.31Å; I298-R300 VanDerWaalsContact C-N 3.32Å; I298-R300 PolarHBondContact O-N 2.68Å; R300-G304 WeakPolarHBondContact O-CA 3.39Å; R300-G304 PolarHBondContact O-N 3.05Å; R300-G304 VanDerWaalsContact O-N 3.1Å; R300-S305 PolarHBondContact NH1-OG 3.21Å; R300-S305 VanDerWaalsContact NH1-OG 3.14Å; R300-T308 WeakPolarHBondContact CA-OG1 3.26Å; R300-T308 HydrophobicContact CG-CG2 3.91Å; R300-T308 PolarHBondContact N-OG1 3Å; R300-E309 IonicContact NH2-OE2 2.8Å
301	I	93.9	Very high	93.2	Very high	133 Å²	133	58.4 Å²	58.4	68%	0.682	31%	0.305	S	S	*	.	H	α-helix	trans	-70.7	-46.2	178.1	-66	166.9	0	0	0	111	R297 I298 L299	R297-I301 HydrophobicContact CG-CD1 4.09Å; R297-I301 WeakPolarHBondContact O-CG1 3.23Å; R297-I301 PolarHBondContact O-N 3.5Å; R297-I301 VanDerWaalsContact O-N 3.13Å; I298-I301 PolarHBondContact O-N 3.38Å; I298-I301 VanDerWaalsContact O-N 3.17Å; L299-I301 VanDerWaalsContact C-N 3.32Å; L299-I301 PolarHBondContact O-N 2.79Å
302	A	92.8	Very high	93.3	Very high	48 Å²	48	58.5 Å²	58.5	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-82.2	-29.5	-170.9	0	0	0	0	0	114.6	I298 L299 Y360	I298-A302 WeakPolarHBondContact O-CB 3.29Å; I298-A302 PolarHBondContact O-N 3.36Å; L299-A302 PolarHBondContact O-N 3.49Å; A302-Y360 HydrophobicContact CB-CE2 3.84Å; A302-Y360 WeakPolarHBondContact CB-OH 3.47Å
303	R	93.7	Very high	93.2	Very high	142 Å²	142	64.4 Å²	64.4	54%	0.536	33%	0.328	S	S	.	.	H	α-helix	trans	-129.2	-8.2	-172.7	-63.8	-65.4	-164.6	151.1	4.8	114.3	L299 W307 Y360	L299-R303 WeakPolarHBondContact O-CA 3.26Å; L299-R303 WeakPolarHBondContact O-CB 3.44Å; L299-R303 PolarHBondContact O-N 2.77Å; R303-W307 HydrophobicContact CB-CB 4.21Å; R303-W307 HydrophobicContact CB-CD2 3.8Å; R303-W307 HydrophobicContact CB-CE3 3.5Å; R303-W307 HydrophobicContact CB-CG 4.12Å; R303-W307 HydrophobicContact CB-CZ3 4.17Å; R303-W307 HydrophobicContact CG-CD2 4.15Å; R303-W307 HydrophobicContact CG-CE3 3.84Å; R303-W307 HydrophobicContact CG-CH2 4.49Å; R303-W307 HydrophobicContact CG-CZ3 4.04Å; R303-Y360 HydrophobicContact CG-CD2 4.12Å; R303-Y360 HydrophobicContact CG-CE2 4.05Å
304	G	94	Very high	93	Very high	31 Å²	31	69 Å²	69	32%	0.32	33%	0.334	S	S	.	.			trans	84.8	153.9	-179.5	0	0	0	0	0	114.2	L299 R300 S306 W307 T308	L299-G304 PolarHBondContact O-N 2.78Å; R300-G304 WeakPolarHBondContact O-CA 3.39Å; R300-G304 PolarHBondContact O-N 3.05Å; R300-G304 VanDerWaalsContact O-N 3.1Å; G304-S306 PolarHBondContact O-N 2.79Å; G304-W307 PolarHBondContact O-N 3.33Å; G304-T308 PolarHBondContact O-N 3.2Å; G304-T308 VanDerWaalsContact O-N 3.14Å; G304-T308 PolarHBondContact O-OG1 2.83Å; G304-T308 VanDerWaalsContact O-OG1 3.1Å
305	S	94.5	Very high	92.6	Very high	66 Å²	66	66.1 Å²	66.1	46%	0.462	32%	0.319	S	S	.	.	H	α-helix	trans	-56.2	-40.4	-172.5	-65.5	0	0	0	0	114.9	R300 W307 T308 E309	R300-S305 PolarHBondContact NH1-OG 3.21Å; R300-S305 VanDerWaalsContact NH1-OG 3.14Å; S305-W307 PolarHBondContact O-N 3Å; S305-T308 PolarHBondContact O-N 3.08Å; S305-E309 WeakPolarHBondContact O-CB 3.29Å; S305-E309 PolarHBondContact O-N 3.16Å
306	S	93.3	Very high	92.2	Very high	107 Å²	107	69.4 Å²	69.4	75%	0.748	33%	0.331	S	S	*	.	H	α-helix	trans	-65.5	-40.6	-177.6	-177.3	0	0	0	0	112.4	G304 L310	G304-S306 PolarHBondContact O-N 2.79Å; S306-L310 PolarHBondContact O-N 3.47Å
307	W	92.7	Very high	91.6	Very high	73 Å²	73	73.5 Å²	73.5	28%	0.277	34%	0.344	S	S	.	.	H	α-helix	trans	-70.4	-43.7	178.1	-175.3	94.2	0	0	0	110.2	L299 R303 G304 S305 E309 L310 T311 S359	L299-W307 HydrophobicContact CB-CZ3 4.23Å; L299-W307 HydrophobicContact CD1-CZ3 3.96Å; L299-W307 HydrophobicContact CD2-CH2 4.34Å; L299-W307 HydrophobicContact CD2-CZ3 3.76Å; L299-W307 HydrophobicContact CG-CZ3 4.16Å; R303-W307 HydrophobicContact CB-CB 4.21Å; R303-W307 HydrophobicContact CB-CD2 3.8Å; R303-W307 HydrophobicContact CB-CE3 3.5Å; R303-W307 HydrophobicContact CB-CG 4.12Å; R303-W307 HydrophobicContact CB-CZ3 4.17Å; R303-W307 HydrophobicContact CG-CD2 4.15Å; R303-W307 HydrophobicContact CG-CE3 3.84Å; R303-W307 HydrophobicContact CG-CH2 4.49Å; R303-W307 HydrophobicContact CG-CZ3 4.04Å; G304-W307 PolarHBondContact O-N 3.33Å; S305-W307 PolarHBondContact O-N 3Å; W307-E309 PolarHBondContact O-N 3.44Å; W307-L310 PolarHBondContact O-N 3.39Å; W307-T311 HydrophobicContact CH2-CG2 3.84Å; W307-T311 WeakPolarHBondContact CH2-OG1 3.17Å; W307-T311 HydrophobicContact CZ2-CG2 4.41Å; W307-T311 WeakPolarHBondContact CZ2-OG1 3.12Å; W307-T311 HydrophobicContact CZ3-CG2 4.02Å; W307-T311 WeakPolarHBondContact O-CB 3.46Å; W307-T311 PolarHBondContact O-N 3.07Å; W307-T311 PolarHBondContact O-OG1 2.92Å; W307-T311 VanDerWaalsContact O-OG1 3.1Å; W307-S359 WeakPolarHBondContact CZ2-OG 3.28Å
308	T	93.3	Very high	90.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-49	179	-57	0	0	0	0	112.3	E296 L299 R300 G304 S305 L310 T311 L312	E296-T308 HydrophobicContact CG-CG2 4.13Å; L299-T308 HydrophobicContact CB-CG2 3.66Å; L299-T308 WeakPolarHBondContact CB-OG1 3.16Å; L299-T308 HydrophobicContact CD1-CG2 4.45Å; L299-T308 PolarHBondContact O-OG1 2.89Å; L299-T308 VanDerWaalsContact O-OG1 3.07Å; R300-T308 WeakPolarHBondContact CA-OG1 3.26Å; R300-T308 HydrophobicContact CG-CG2 3.91Å; R300-T308 PolarHBondContact N-OG1 3Å; G304-T308 PolarHBondContact O-N 3.2Å; G304-T308 VanDerWaalsContact O-N 3.14Å; G304-T308 PolarHBondContact O-OG1 2.83Å; G304-T308 VanDerWaalsContact O-OG1 3.1Å; S305-T308 PolarHBondContact O-N 3.08Å; T308-L310 VanDerWaalsContact C-N 3.32Å; T308-L310 PolarHBondContact O-N 3.04Å; T308-T311 PolarHBondContact O-N 2.71Å; T308-L312 HydrophobicContact CG2-CD1 3.69Å; T308-L312 HydrophobicContact CG2-CG 4.15Å; T308-L312 WeakPolarHBondContact O-CB 2.9Å; T308-L312 WeakPolarHBondContact O-CG 3.18Å; T308-L312 PolarHBondContact O-N 3.27Å
309	E	92.6	Very high	89.4	Confident	89 Å²	89	65.4 Å²	65.4	42%	0.416	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-43.6	179.7	-173.1	57.6	-139.4	0	0	111.2	R300 S305 W307 R313	R300-E309 IonicContact NH2-OE2 2.8Å; S305-E309 WeakPolarHBondContact O-CB 3.29Å; S305-E309 PolarHBondContact O-N 3.16Å; W307-E309 PolarHBondContact O-N 3.44Å; E309-R313 WeakPolarHBondContact O-CB 3.44Å; E309-R313 PolarHBondContact O-N 3.41Å
310	L	92.7	Very high	88.2	Confident	78 Å²	78	70.2 Å²	70.2	41%	0.408	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-44.3	177.5	-174	68.1	0	0	0	112.1	S306 W307 T308 R314	S306-L310 PolarHBondContact O-N 3.47Å; W307-L310 PolarHBondContact O-N 3.39Å; T308-L310 VanDerWaalsContact C-N 3.32Å; T308-L310 PolarHBondContact O-N 3.04Å; L310-R314 WeakPolarHBondContact O-CB 3.21Å; L310-R314 VanDerWaalsContact O-CG 3.31Å; L310-R314 WeakPolarHBondContact O-CG 3.37Å; L310-R314 PolarHBondContact O-N 2.86Å
311	T	91.9	Very high	86.9	Confident	6 Å²	6	69.3 Å²	69.3	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-47.4	180	-65.4	0	0	0	0	111.4	W307 T308 R314 T315 L357	W307-T311 HydrophobicContact CH2-CG2 3.84Å; W307-T311 WeakPolarHBondContact CH2-OG1 3.17Å; W307-T311 HydrophobicContact CZ2-CG2 4.41Å; W307-T311 WeakPolarHBondContact CZ2-OG1 3.12Å; W307-T311 HydrophobicContact CZ3-CG2 4.02Å; W307-T311 WeakPolarHBondContact O-CB 3.46Å; W307-T311 PolarHBondContact O-N 3.07Å; W307-T311 PolarHBondContact O-OG1 2.92Å; W307-T311 VanDerWaalsContact O-OG1 3.1Å; T308-T311 PolarHBondContact O-N 2.71Å; T311-R314 PolarHBondContact O-N 2.85Å; T311-T315 WeakPolarHBondContact O-CB 3.36Å; T311-T315 PolarHBondContact O-N 3.06Å; T311-T315 PolarHBondContact O-OG1 2.86Å; T311-L357 HydrophobicContact CG2-CD2 4.04Å
312	L	91	Very high	85.3	Confident	6 Å²	6	71 Å²	71	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-42.4	177.8	-69.7	178.1	0	0	0	111.3	F286 I295 E296 T308 R314 T315 R316 L357	F286-L312 HydrophobicContact CE1-CD2 4.46Å; F286-L312 HydrophobicContact CZ-CD2 4.07Å; I295-L312 HydrophobicContact CG2-CD2 4.49Å; E296-L312 HydrophobicContact CB-CD1 3.71Å; E296-L312 HydrophobicContact CG-CD1 3.63Å; T308-L312 HydrophobicContact CG2-CD1 3.69Å; T308-L312 HydrophobicContact CG2-CG 4.15Å; T308-L312 WeakPolarHBondContact O-CB 2.9Å; T308-L312 WeakPolarHBondContact O-CG 3.18Å; T308-L312 PolarHBondContact O-N 3.27Å; L312-R314 PolarHBondContact O-N 3.45Å; L312-T315 PolarHBondContact O-N 3.02Å; L312-T315 VanDerWaalsContact O-N 3.16Å; L312-R316 VanDerWaalsContact O-CB 3.32Å; L312-R316 WeakPolarHBondContact O-CB 3.46Å; L312-R316 PolarHBondContact O-N 3.4Å; L312-L357 HydrophobicContact CD2-CD2 4.3Å
313	R	89.7	Confident	84	Confident	129 Å²	129	75.4 Å²	75.4	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-43.1	174.7	-176	-179.4	-179.1	-175.3	4.5	112.5	E309 T315 R317	E309-R313 WeakPolarHBondContact O-CB 3.44Å; E309-R313 PolarHBondContact O-N 3.41Å; R313-T315 VanDerWaalsContact C-N 3.32Å; R313-R317 WeakPolarHBondContact O-CB 3.29Å; R313-R317 WeakPolarHBondContact O-CG 3.5Å; R313-R317 PolarHBondContact O-N 3.44Å
314	R	88	Confident	82.8	Confident	132 Å²	132	70.7 Å²	70.7	50%	0.498	34%	0.339	S	S	.	.	H	α-helix	trans	-65.9	-36	175.7	-75.8	176.8	178.2	176.9	1.8	112.2	L310 T311 L312 A318 R356	L310-R314 WeakPolarHBondContact O-CB 3.21Å; L310-R314 VanDerWaalsContact O-CG 3.31Å; L310-R314 WeakPolarHBondContact O-CG 3.37Å; L310-R314 PolarHBondContact O-N 2.86Å; T311-R314 PolarHBondContact O-N 2.85Å; L312-R314 PolarHBondContact O-N 3.45Å; R314-A318 PolarHBondContact O-N 2.74Å; R314-R356 HydrophobicContact CB-CG 4Å
315	T	84.6	Confident	81.6	Confident	4 Å²	4	71.2 Å²	71.2	3%	0.025	33%	0.334	C	S	.	.	H	α-helix	trans	-71.2	-46.7	178.6	-49.9	0	0	0	0	110.8	F286 T311 L312 R313 A318 A319 L357	F286-T315 HydrophobicContact CD2-CG2 4.42Å; F286-T315 HydrophobicContact CE2-CG2 3.48Å; F286-T315 VanDerWaalsContact CE2-CG2 3.48Å; F286-T315 HydrophobicContact CZ-CG2 4Å; T311-T315 WeakPolarHBondContact O-CB 3.36Å; T311-T315 PolarHBondContact O-N 3.06Å; T311-T315 PolarHBondContact O-OG1 2.86Å; L312-T315 PolarHBondContact O-N 3.02Å; L312-T315 VanDerWaalsContact O-N 3.16Å; R313-T315 VanDerWaalsContact C-N 3.32Å; T315-A318 CarbonylContact O-C 3.6Å; T315-A318 WeakPolarHBondContact O-CB 3.29Å; T315-A318 PolarHBondContact O-N 3.47Å; T315-A318 VanDerWaalsContact O-N 3.13Å; T315-A319 PolarHBondContact O-N 2.89Å; T315-L357 HydrophobicContact CG2-CD1 3.78Å; T315-L357 HydrophobicContact CG2-CG 4.03Å
316	R	83.8	Confident	80.2	Confident	69 Å²	69	69.4 Å²	69.4	26%	0.26	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-47.2	174.8	-174.9	-174.1	-71.9	144.2	4.9	112	D283 K284 F286 L312 A318 A319 E320	D283-R316 WeakPolarHBondContact O-CD 3.44Å; D283-R316 PolarHBondContact O-NE 2.77Å; K284-R316 PolarHBondContact O-NH2 3.29Å; F286-R316 HydrophobicContact CD1-CB 4.13Å; F286-R316 HydrophobicContact CD1-CG 4.3Å; F286-R316 HydrophobicContact CE1-CB 4.21Å; L312-R316 VanDerWaalsContact O-CB 3.32Å; L312-R316 WeakPolarHBondContact O-CB 3.46Å; L312-R316 PolarHBondContact O-N 3.4Å; R316-A318 PolarHBondContact O-N 2.94Å; R316-A319 CarbonylContact O-C 3.55Å; R316-A319 WeakPolarHBondContact O-CA 3.24Å; R316-A319 WeakPolarHBondContact O-CB 3.46Å; R316-A319 PolarHBondContact O-N 2.82Å; R316-E320 WeakPolarHBondContact CD-OE1 3.47Å; R316-E320 HydrophobicContact CG-CG 4.31Å; R316-E320 VanDerWaalsContact CG-OE1 3.28Å; R316-E320 WeakPolarHBondContact CG-OE1 3.28Å; R316-E320 WeakPolarHBondContact O-CG 3.15Å; R316-E320 PolarHBondContact O-N 2.62Å
317	R	82.1	Confident	78.9	Confident	144 Å²	144	66.5 Å²	66.5	54%	0.543	29%	0.293	S	S	.	.	H	α-helix	trans	-57.9	-35.1	175.4	-80.3	179	172.3	-171.7	-7.2	113.2	R313 D321	R313-R317 WeakPolarHBondContact O-CB 3.29Å; R313-R317 WeakPolarHBondContact O-CG 3.5Å; R313-R317 PolarHBondContact O-N 3.44Å; R317-D321 PolarHBondContact O-N 3.05Å
318	A	74.7	Confident	78.2	Confident	14 Å²	14	66.8 Å²	66.8	12%	0.116	30%	0.3	C	S	.	.	H	α-helix	trans	-74.9	-28.9	173.6	0	0	0	0	0	112.3	R314 T315 R316 H324	R314-A318 PolarHBondContact O-N 2.74Å; T315-A318 CarbonylContact O-C 3.6Å; T315-A318 WeakPolarHBondContact O-CB 3.29Å; T315-A318 PolarHBondContact O-N 3.47Å; T315-A318 VanDerWaalsContact O-N 3.13Å; R316-A318 PolarHBondContact O-N 2.94Å; A318-H324 PolarHBondContact O-CD2 3.23Å
319	A	68.5	Low	77.3	Confident	11 Å²	11	70.4 Å²	70.4	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-43.5	168.2	0	0	0	0	0	112.1	F286 T315 R316 Y349	F286-A319 HydrophobicContact CB-CB 4.21Å; F286-A319 HydrophobicContact CD2-CB 4.44Å; T315-A319 PolarHBondContact O-N 2.89Å; R316-A319 CarbonylContact O-C 3.55Å; R316-A319 WeakPolarHBondContact O-CA 3.24Å; R316-A319 WeakPolarHBondContact O-CB 3.46Å; R316-A319 PolarHBondContact O-N 2.82Å; A319-Y349 HydrophobicContact CB-CE1 3.44Å; A319-Y349 VanDerWaalsContact CB-CE1 3.44Å; A319-Y349 VanDerWaalsContact CB-OH 3.24Å; A319-Y349 WeakPolarHBondContact CB-OH 3.25Å
320	E	68.8	Low	76.3	Confident	102 Å²	102	67 Å²	67	48%	0.477	30%	0.304	S	S	.	.	H	α-helix	trans	-73.6	-30.1	-176.1	-68.9	165.9	175.9	0	0	112.7	R316 K322	R316-E320 WeakPolarHBondContact CD-OE1 3.47Å; R316-E320 HydrophobicContact CG-CG 4.31Å; R316-E320 VanDerWaalsContact CG-OE1 3.28Å; R316-E320 WeakPolarHBondContact CG-OE1 3.28Å; R316-E320 WeakPolarHBondContact O-CG 3.15Å; R316-E320 PolarHBondContact O-N 2.62Å; E320-K322 VanDerWaalsContact C-N 3.32Å; E320-K322 PolarHBondContact O-N 3.38Å
321	D	67.9	Low	75	Confident	71 Å²	71	63.8 Å²	63.8	38%	0.38	29%	0.288	S	S	.	.	S	Bend	trans	-66.7	94.4	169.5	-166.9	4.7	0	0	0	107.3	R317 K323 H324	R317-D321 PolarHBondContact O-N 3.05Å; D321-K323 PolarHBondContact O-N 3.42Å; D321-K323 WeakPolarHBondContact OD1-CE 3.45Å; D321-K323 IonicContact OD1-NZ 3.4Å; D321-K323 PolarHBondContact OD1-NZ 2.96Å; D321-K323 IonicContact OD2-NZ 2.83Å; D321-K323 PolarHBondContact OD2-NZ 3.45Å; D321-H324 PolarHBondContact O-N 2.88Å; D321-H324 VanDerWaalsContact O-N 3.13Å
322	K	61.2	Low	73.7	Confident	170 Å²	170	66.6 Å²	66.6	74%	0.739	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-45.5	-10.6	-171.3	-64.3	-173.7	176.7	-172.9	0	116.2	E320 H324 I325	E320-K322 VanDerWaalsContact C-N 3.32Å; E320-K322 PolarHBondContact O-N 3.38Å; K322-H324 PolarHBondContact O-N 2.84Å; K322-I325 HydrophobicContact CG-CD1 4.4Å; K322-I325 PolarHBondContact O-N 2.84Å
323	K	65	Low	72.5	Confident	139 Å²	139	67.1 Å²	67.1	60%	0.604	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-55.9	-23	169.6	-60.1	176.7	-166.9	143.7	0	114	D321	D321-K323 PolarHBondContact O-N 3.42Å; D321-K323 WeakPolarHBondContact OD1-CE 3.45Å; D321-K323 IonicContact OD1-NZ 3.4Å; D321-K323 PolarHBondContact OD1-NZ 2.96Å; D321-K323 IonicContact OD2-NZ 2.83Å; D321-K323 PolarHBondContact OD2-NZ 3.45Å
324	H	67.9	Low	71.2	Confident	43 Å²	43	65 Å²	65	20%	0.199	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-97.1	-9	-178.7	-69	-75.6	0	0	0	114.1	A318 D321 K322 L326 T347 V348	A318-H324 PolarHBondContact O-CD2 3.23Å; D321-H324 PolarHBondContact O-N 2.88Å; D321-H324 VanDerWaalsContact O-N 3.13Å; K322-H324 PolarHBondContact O-N 2.84Å; H324-L326 PolarHBondContact O-N 2.89Å; H324-T347 CarbonylContact O-C 3.51Å; H324-T347 WeakPolarHBondContact O-CA 3.25Å; H324-V348 PolarHBondContact ND1-O 2.76Å; H324-V348 PolarHBondContact O-N 3.42Å
325	I	68.5	Low	70.4	Confident	42 Å²	42	61.4 Å²	61.4	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.6	178.9	-62.9	175.4	0	0	0	108	K322 D328 T347	K322-I325 HydrophobicContact CG-CD1 4.4Å; K322-I325 PolarHBondContact O-N 2.84Å; I325-D328 HydrophobicContact CG2-CB 3.57Å; I325-T347 HydrophobicContact CG1-CG2 3.98Å
326	L	65.8	Low	70	Confident	29 Å²	29	61.6 Å²	61.6	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-33.3	173.3	-70.8	-170.6	0	0	0	112.3	H324 L346 V348 L454	H324-L326 PolarHBondContact O-N 2.89Å; L326-L346 HydrophobicContact CB-CB 4.38Å; L326-L346 HydrophobicContact CB-CD2 3.83Å; L326-L346 HydrophobicContact CB-CG 3.97Å; L326-L346 HydrophobicContact CD1-CD2 4.02Å; L326-L346 HydrophobicContact CD1-CG 4.32Å; L326-L346 PolarHBondContact N-O 2.96Å; L326-V348 HydrophobicContact CD1-CB 4.47Å; L326-V348 HydrophobicContact CD1-CG2 3.27Å; L326-V348 HydrophobicContact CD2-CG2 4.39Å; L326-V348 HydrophobicContact CG-CB 4.42Å; L326-V348 HydrophobicContact CG-CG2 3.63Å; L326-L454 HydrophobicContact CD2-CD2 3.99Å
327	F	67	Low	69.9	Low	45 Å²	45	58.3 Å²	58.3	20%	0.197	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132.2	179.9	-173	-89.1	0	0	0	109	D329 V331 V344 I345 L346 I461	F327-D329 HydrophobicContact CE1-CB 3.74Å; F327-D329 HydrophobicContact CE2-CB 4.18Å; F327-D329 HydrophobicContact CZ-CB 3.55Å; F327-V331 HydrophobicContact CE1-CG1 3.8Å; F327-V331 HydrophobicContact CZ-CG1 3.96Å; F327-V344 HydrophobicContact CD1-CB 3.82Å; F327-V344 HydrophobicContact CD1-CG1 3.92Å; F327-V344 WeakPolarHBondContact CD1-O 3.38Å; F327-V344 HydrophobicContact CE1-CB 3.77Å; F327-V344 HydrophobicContact CE1-CG1 4.32Å; F327-I345 CarbonylContact O-C 3.46Å; F327-I345 WeakPolarHBondContact O-CA 3.4Å; F327-L346 HydrophobicContact CB-CB 3.73Å; F327-L346 HydrophobicContact CB-CD2 4.35Å; F327-L346 PolarHBondContact N-O 3.44Å; F327-L346 PolarHBondContact O-N 2.81Å; F327-I461 HydrophobicContact CD2-CD1 3.54Å; F327-I461 HydrophobicContact CE2-CD1 3.62Å; F327-I461 HydrophobicContact CE2-CG1 4.24Å
328	D	78.1	Confident	70.2	Confident	79 Å²	79	51.5 Å²	51.5	42%	0.422	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	89.1	173.9	178	15.8	0	0	0	107.4	I325 Q343 V344	I325-D328 HydrophobicContact CG2-CB 3.57Å; D328-Q343 PolarHBondContact OD1-NE2 3.19Å; D328-V344 VanDerWaalsContact CA-O 3.3Å; D328-V344 WeakPolarHBondContact CA-O 3.34Å
329	D	74.2	Confident	70.8	Confident	77 Å²	77	50.9 Å²	50.9	41%	0.412	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	162.2	-178.7	-147.6	-20.2	0	0	0	112	F327 Q343 V344	F327-D329 HydrophobicContact CE1-CB 3.74Å; F327-D329 HydrophobicContact CE2-CB 4.18Å; F327-D329 HydrophobicContact CZ-CB 3.55Å; D329-Q343 WeakPolarHBondContact O-CA 3Å; D329-V344 PolarHBondContact N-O 2.85Å; D329-V344 PolarHBondContact O-N 3.49Å
330	V	71.8	Confident	71.8	Confident	16 Å²	16	50.4 Å²	50.4	10%	0.097	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.2	175.9	-177.3	0	0	0	0	109.7	P221 L222 W341 Q343	P221-V330 HydrophobicContact CG-CB 4.04Å; P221-V330 HydrophobicContact CG-CG1 4.11Å; P221-V330 HydrophobicContact CG-CG2 3.54Å; L222-V330 HydrophobicContact CD1-CG1 3.78Å; L222-V330 HydrophobicContact CD2-CG1 4.44Å; L222-V330 HydrophobicContact CG-CB 4.31Å; L222-V330 HydrophobicContact CG-CG1 3.72Å; V330-W341 HydrophobicContact CG1-CB 4.06Å; V330-W341 VanDerWaalsContact CG1-CD1 3.4Å; V330-W341 HydrophobicContact CG1-CG 3.88Å; V330-W341 VanDerWaalsContact CG2-CD1 3.48Å; V330-Q343 HydrophobicContact CG2-CB 4.29Å; V330-Q343 HydrophobicContact CG2-CG 4.34Å
331	V	64.8	Low	72.6	Confident	12 Å²	12	45.9 Å²	45.9	7%	0.073	22%	0.224	C	C	.	.			trans	-104.3	146.4	-178.5	-61.6	0	0	0	0	111	F327 D333 N336 V342 V344	F327-V331 HydrophobicContact CE1-CG1 3.8Å; F327-V331 HydrophobicContact CZ-CG1 3.96Å; V331-D333 PolarHBondContact O-N 3.16Å; V331-N336 PolarHBondContact O-ND2 3.42Å; V331-V342 HydrophobicContact CG2-CB 4.13Å; V331-V342 HydrophobicContact CG2-CG1 3.87Å; V331-V342 PolarHBondContact N-O 3.42Å; V331-V344 HydrophobicContact CB-CG2 4.19Å; V331-V344 HydrophobicContact CG1-CB 4.02Å; V331-V344 HydrophobicContact CG1-CG2 3.49Å; V331-V344 VanDerWaalsContact CG1-CG2 3.49Å; V331-V344 HydrophobicContact CG2-CG2 3.61Å
332	P	64.9	Low	73.1	Confident	64 Å²	64	42.5 Å²	42.5	42%	0.416	21%	0.206	S	C	.	.			trans	-61.2	108.8	165.9	-19.5	31.8	0	0	0	109.3	L222 Y465	L222-P332 HydrophobicContact CD1-CG 4.21Å; P332-Y465 HydrophobicContact CG-CE1 4.18Å
333	D	65.2	Low	74.2	Confident	18 Å²	18	35.9 Å²	35.9	10%	0.096	18%	0.178	C	C	.	.			trans	-126	142.6	174.6	-168.9	-73	0	0	0	109.8	V331 R335 N336 V342	V331-D333 PolarHBondContact O-N 3.16Å; D333-R335 PolarHBondContact O-N 3.19Å; D333-R335 VanDerWaalsContact O-N 3.15Å; D333-R335 VanDerWaalsContact OD1-CB 3.31Å; D333-R335 WeakPolarHBondContact OD1-CB 3.31Å; D333-R335 WeakPolarHBondContact OD1-CG 3.25Å; D333-R335 IonicContact OD1-CZ 2.68Å; D333-R335 PolarHBondContact OD1-N 3.02Å; D333-R335 IonicContact OD1-NE 3.1Å; D333-R335 PolarHBondContact OD1-NE 3.05Å; D333-R335 IonicContact OD1-NH2 2.7Å; D333-R335 PolarHBondContact OD1-NH2 2.88Å; D333-R335 IonicContact OD2-CZ 2.7Å; D333-R335 IonicContact OD2-NE 3.62Å; D333-R335 IonicContact OD2-NH2 2.71Å; D333-R335 PolarHBondContact OD2-NH2 2.84Å; D333-N336 PolarHBondContact N-ND2 2.81Å; D333-N336 VanDerWaalsContact N-ND2 3.19Å; D333-N336 WeakPolarHBondContact O-CB 3.31Å; D333-N336 VanDerWaalsContact O-CG 3.25Å; D333-N336 PolarHBondContact O-N 3.24Å; D333-V342 HydrophobicContact CB-CB 3.91Å; D333-V342 HydrophobicContact CB-CG2 3.81Å
334	M	63.3	Low	74.9	Confident	83 Å²	83	29.7 Å²	29.7	41%	0.409	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.6	180	-62	-169.2	-50.8	0	0	114.1	W152 R160 Q393	W152-M334 HydrophobicContact CH2-CE 4.39Å; W152-M334 HydrophobicContact CZ2-CB 3.61Å; W152-M334 HydrophobicContact CZ2-CE 3.22Å; W152-M334 HydrophobicContact CZ2-CG 4.37Å; W152-M334 HydrophobicContact CZ2-SD 4.06Å; W152-M334 PolarHBondContact NE1-SD 3.2Å; R160-M334 PolarHBondContact NH2-O 2.77Å; M334-Q393 HydrophobicContact CE-CG 4.16Å
335	R	71.4	Confident	75.5	Confident	57 Å²	57	28.6 Å²	28.6	22%	0.215	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.6	174.9	-65.2	166.8	-72.8	178.8	-2.9	113	L232 L233 F278 D333 T337	L232-R335 HydrophobicContact CB-CG 4.17Å; L232-R335 HydrophobicContact CD1-CG 4.26Å; L233-R335 HydrophobicContact CD1-CB 4.43Å; L233-R335 HydrophobicContact CD2-CB 3.96Å; L233-R335 HydrophobicContact CG-CB 4.05Å; F278-R335 VanDerWaalsContact CZ-CZ 3.47Å; D333-R335 PolarHBondContact O-N 3.19Å; D333-R335 VanDerWaalsContact O-N 3.15Å; D333-R335 VanDerWaalsContact OD1-CB 3.31Å; D333-R335 WeakPolarHBondContact OD1-CB 3.31Å; D333-R335 WeakPolarHBondContact OD1-CG 3.25Å; D333-R335 IonicContact OD1-CZ 2.68Å; D333-R335 PolarHBondContact OD1-N 3.02Å; D333-R335 IonicContact OD1-NE 3.1Å; D333-R335 PolarHBondContact OD1-NE 3.05Å; D333-R335 IonicContact OD1-NH2 2.7Å; D333-R335 PolarHBondContact OD1-NH2 2.88Å; D333-R335 IonicContact OD2-CZ 2.7Å; D333-R335 IonicContact OD2-NE 3.62Å; D333-R335 IonicContact OD2-NH2 2.71Å; D333-R335 PolarHBondContact OD2-NH2 2.84Å; R335-T337 PolarHBondContact O-N 2.95Å
336	N	76.1	Confident	75.9	Confident	8 Å²	8	27.7 Å²	27.7	4%	0.043	14%	0.143	C	C	.	.			trans	-60	135.2	-178.9	-67.6	-4.9	0	0	0	111	R160 T225 V331 D333 S340 W341 V342	R160-N336 VanDerWaalsContact CZ-O 3.28Å; R160-N336 PolarHBondContact NH1-O 3.17Å; R160-N336 PolarHBondContact NH2-O 3.42Å; T225-N336 HydrophobicContact CG2-CB 4.46Å; V331-N336 PolarHBondContact O-ND2 3.42Å; D333-N336 PolarHBondContact N-ND2 2.81Å; D333-N336 VanDerWaalsContact N-ND2 3.19Å; D333-N336 WeakPolarHBondContact O-CB 3.31Å; D333-N336 VanDerWaalsContact O-CG 3.25Å; D333-N336 PolarHBondContact O-N 3.24Å; N336-S340 CarbonylContact C-O 3.51Å; N336-S340 WeakPolarHBondContact CA-O 3.08Å; N336-W341 HydrophobicContact CB-CB 4.4Å; N336-W341 VanDerWaalsContact OD1-CA 3.25Å; N336-W341 WeakPolarHBondContact OD1-CA 3.43Å; N336-V342 PolarHBondContact OD1-N 2.6Å
337	T	81.6	Confident	76.3	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.137	C	C	.	.			trans	-117.8	-178.6	170.9	73.6	0	0	0	0	109.2	N220 T225 I227 G229 G231 R335 N339 S340	N220-T337 VanDerWaalsContact CB-O 3.29Å; N220-T337 WeakPolarHBondContact CB-O 3.45Å; N220-T337 PolarHBondContact ND2-O 3.07Å; T225-T337 VanDerWaalsContact CG2-C 3.44Å; T225-T337 VanDerWaalsContact CG2-O 3.25Å; T225-T337 WeakPolarHBondContact CG2-O 3.25Å; T225-T337 WeakPolarHBondContact OG1-CA 3.38Å; I227-T337 HydrophobicContact CG2-CG2 3.67Å; I227-T337 WeakPolarHBondContact O-CB 3.43Å; G229-T337 WeakPolarHBondContact O-CB 3.29Å; G229-T337 PolarHBondContact O-OG1 3.33Å; G231-T337 VanDerWaalsContact CA-CG2 3.45Å; R335-T337 PolarHBondContact O-N 2.95Å; T337-N339 PolarHBondContact O-N 2.77Å; T337-N339 PolarHBondContact OG1-N 3.39Å; T337-S340 PolarHBondContact N-O 2.76Å; T337-S340 PolarHBondContact OG1-N 3.16Å; T337-S340 PolarHBondContact OG1-O 2.81Å
338	D	87.1	Confident	76.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-64.7	-20.6	172.2	-69.3	1.4	0	0	0	112.4	W170 Y177 P179 L219 N220 T225 G226 I227 C228	W170-D338 HydrophobicContact CH2-CB 3.81Å; W170-D338 HydrophobicContact CZ2-CB 4.01Å; Y177-D338 WeakPolarHBondContact CE1-OD2 3.38Å; Y177-D338 PolarHBondContact OH-OD1 3.07Å; Y177-D338 PolarHBondContact OH-OD2 3.47Å; Y177-D338 VanDerWaalsContact OH-OD2 3.08Å; P179-D338 VanDerWaalsContact CG-OD2 3.3Å; P179-D338 WeakPolarHBondContact CG-OD2 2.84Å; L219-D338 CarbonylContact C-O 3.02Å; L219-D338 WeakPolarHBondContact CA-O 3.27Å; N220-D338 PolarHBondContact N-O 3.4Å; T225-D338 WeakPolarHBondContact CA-OD1 3.14Å; T225-D338 WeakPolarHBondContact CB-OD1 3.43Å; T225-D338 PolarHBondContact N-OD1 2.86Å; T225-D338 PolarHBondContact OG1-N 3.29Å; T225-D338 PolarHBondContact OG1-OD1 3.37Å; G226-D338 PolarHBondContact N-OD1 3.24Å; I227-D338 WeakPolarHBondContact O-CB 3.44Å; I227-D338 PolarHBondContact O-N 3.5Å; C228-D338 HydrophobicContact CB-CB 4.44Å
339	N	88.6	Confident	76.8	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.011	12%	0.118	C	C	.	.	S	Bend	trans	-126.9	3.1	-171.6	-43.6	118.7	0	0	0	114.2	L217 P218 C228 G229 Y236 G237 T337	L217-N339 HydrophobicContact CB-CB 4.49Å; P218-N339 HydrophobicContact CG-CB 4.36Å; P218-N339 VanDerWaalsContact CG-O 3.24Å; P218-N339 WeakPolarHBondContact CG-O 3.5Å; P218-N339 VanDerWaalsContact O-CA 3.31Å; P218-N339 WeakPolarHBondContact O-CA 3.32Å; P218-N339 PolarHBondContact O-ND2 2.79Å; C228-N339 WeakPolarHBondContact CA-OD1 3.49Å; C228-N339 WeakPolarHBondContact CB-OD1 3.27Å; G229-N339 PolarHBondContact N-OD1 3.42Å; Y236-N339 CarbonylContact C-O 3.23Å; Y236-N339 WeakPolarHBondContact CA-O 3.18Å; Y236-N339 HydrophobicContact CD1-CB 3.6Å; Y236-N339 HydrophobicContact CE1-CB 3.77Å; G237-N339 PolarHBondContact N-O 2.76Å; T337-N339 PolarHBondContact O-N 2.77Å; T337-N339 PolarHBondContact OG1-N 3.39Å
340	S	88.2	Confident	77.1	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	139.2	176.3	-170.2	0	0	0	0	109.9	L233 E235 G237 N336 T337	L233-S340 VanDerWaalsContact CB-OG 3.25Å; L233-S340 WeakPolarHBondContact CB-OG 3.34Å; L233-S340 WeakPolarHBondContact CD1-OG 3.35Å; E235-S340 VanDerWaalsContact O-CB 3.28Å; E235-S340 WeakPolarHBondContact O-CB 3.42Å; E235-S340 PolarHBondContact O-OG 2.78Å; G237-S340 CarbonylContact O-C 3.24Å; G237-S340 VanDerWaalsContact O-CA 3.31Å; G237-S340 WeakPolarHBondContact O-CA 3.44Å; G237-S340 PolarHBondContact O-OG 2.02Å; N336-S340 CarbonylContact C-O 3.51Å; N336-S340 WeakPolarHBondContact CA-O 3.08Å; T337-S340 PolarHBondContact N-O 2.76Å; T337-S340 PolarHBondContact OG1-N 3.16Å; T337-S340 PolarHBondContact OG1-O 2.81Å
341	W	86.2	Confident	77.7	Confident	7 Å²	7	21.5 Å²	21.5	3%	0.027	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.6	-175.8	58.7	87.1	0	0	0	113.1	L203 P218 L219 N220 P221 G237 P238 T239 V330 N336	L203-W341 HydrophobicContact CD2-CH2 4.29Å; L203-W341 HydrophobicContact CD2-CZ2 4.47Å; P218-W341 HydrophobicContact CB-CH2 3.9Å; P218-W341 HydrophobicContact CB-CZ3 3.97Å; P218-W341 HydrophobicContact CG-CZ3 4.28Å; L219-W341 WeakPolarHBondContact O-CH2 3.29Å; L219-W341 WeakPolarHBondContact O-CZ3 3.46Å; N220-W341 HydrophobicContact CB-CE3 3.95Å; N220-W341 HydrophobicContact CB-CZ3 4.4Å; P221-W341 VanDerWaalsContact CD-CE2 3.42Å; P221-W341 HydrophobicContact CG-CD2 4.46Å; P221-W341 HydrophobicContact CG-CZ2 4.21Å; G237-W341 PolarHBondContact O-N 2.89Å; P238-W341 CarbonylContact C-O 3.58Å; P238-W341 WeakPolarHBondContact CA-O 3.43Å; T239-W341 PolarHBondContact N-O 2.84Å; V330-W341 HydrophobicContact CG1-CB 4.06Å; V330-W341 VanDerWaalsContact CG1-CD1 3.4Å; V330-W341 HydrophobicContact CG1-CG 3.88Å; V330-W341 VanDerWaalsContact CG2-CD1 3.48Å; N336-W341 HydrophobicContact CB-CB 4.4Å; N336-W341 VanDerWaalsContact OD1-CA 3.25Å; N336-W341 WeakPolarHBondContact OD1-CA 3.43Å
342	V	78.7	Confident	78.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.7	173.4	179.5	0	0	0	0	110.3	L233 T239 L241 F278 V331 D333 N336 V344	L233-V342 HydrophobicContact CD1-CG2 4.32Å; L233-V342 HydrophobicContact CD2-CG2 4.18Å; T239-V342 WeakPolarHBondContact O-CA 3.42Å; L241-V342 HydrophobicContact CB-CG1 4.02Å; F278-V342 HydrophobicContact CE1-CG1 3.87Å; F278-V342 HydrophobicContact CE1-CG2 4.08Å; V331-V342 HydrophobicContact CG2-CB 4.13Å; V331-V342 HydrophobicContact CG2-CG1 3.87Å; V331-V342 PolarHBondContact N-O 3.42Å; D333-V342 HydrophobicContact CB-CB 3.91Å; D333-V342 HydrophobicContact CB-CG2 3.81Å; N336-V342 PolarHBondContact OD1-N 2.6Å; V342-V344 HydrophobicContact CG1-CG2 4.46Å
343	Q	84.6	Confident	79.3	Confident	32 Å²	32	28.7 Å²	28.7	15%	0.15	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.4	169	-177.8	164.6	-12.2	0	0	109.1	P238 T239 Y240 L241 D328 D329 V330	P238-Q343 HydrophobicContact CB-CB 4.16Å; T239-Q343 PolarHBondContact O-N 2.79Å; Y240-Q343 CarbonylContact C-O 3.41Å; Y240-Q343 VanDerWaalsContact CA-O 3.22Å; Y240-Q343 WeakPolarHBondContact CA-O 3.46Å; Y240-Q343 HydrophobicContact CD1-CB 3.94Å; Y240-Q343 HydrophobicContact CD1-CG 3.97Å; Y240-Q343 HydrophobicContact CE1-CB 4.19Å; Y240-Q343 HydrophobicContact CE1-CG 4Å; L241-Q343 PolarHBondContact N-O 3.14Å; D328-Q343 PolarHBondContact OD1-NE2 3.19Å; D329-Q343 WeakPolarHBondContact O-CA 3Å; V330-Q343 HydrophobicContact CG2-CB 4.29Å; V330-Q343 HydrophobicContact CG2-CG 4.34Å
344	V	78.5	Confident	80.3	Confident	8 Å²	8	30.7 Å²	30.7	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.4	179.7	176.7	0	0	0	0	108.9	L241 I243 F327 D328 D329 V331 V342	L241-V344 HydrophobicContact CB-CG2 4.12Å; L241-V344 HydrophobicContact CD2-CG2 4.1Å; L241-V344 HydrophobicContact CG-CG2 4.49Å; L241-V344 WeakPolarHBondContact O-CA 3.47Å; I243-V344 HydrophobicContact CD1-CG1 3.85Å; I243-V344 HydrophobicContact CG1-CG1 4.41Å; F327-V344 HydrophobicContact CD1-CB 3.82Å; F327-V344 HydrophobicContact CD1-CG1 3.92Å; F327-V344 WeakPolarHBondContact CD1-O 3.38Å; F327-V344 HydrophobicContact CE1-CB 3.77Å; F327-V344 HydrophobicContact CE1-CG1 4.32Å; D328-V344 VanDerWaalsContact CA-O 3.3Å; D328-V344 WeakPolarHBondContact CA-O 3.34Å; D329-V344 PolarHBondContact N-O 2.85Å; D329-V344 PolarHBondContact O-N 3.49Å; V331-V344 HydrophobicContact CB-CG2 4.19Å; V331-V344 HydrophobicContact CG1-CB 4.02Å; V331-V344 HydrophobicContact CG1-CG2 3.49Å; V331-V344 VanDerWaalsContact CG1-CG2 3.49Å; V331-V344 HydrophobicContact CG2-CG2 3.61Å; V342-V344 HydrophobicContact CG1-CG2 4.46Å
345	I	79.9	Confident	81.4	Confident	21 Å²	21	33.7 Å²	33.7	11%	0.108	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	105.1	170	-59.3	176.5	0	0	0	108.1	Y240 L241 V242 I243 P282 F327 T347	Y240-I345 HydrophobicContact CD1-CD1 3.34Å; Y240-I345 HydrophobicContact CD1-CG1 3.89Å; Y240-I345 HydrophobicContact CE1-CD1 3.87Å; Y240-I345 HydrophobicContact CG-CD1 4.11Å; L241-I345 PolarHBondContact O-N 3.05Å; V242-I345 WeakPolarHBondContact CA-O 3.16Å; I243-I345 PolarHBondContact N-O 3.27Å; P282-I345 HydrophobicContact CB-CD1 3.68Å; P282-I345 HydrophobicContact CG-CD1 4.08Å; F327-I345 CarbonylContact O-C 3.46Å; F327-I345 WeakPolarHBondContact O-CA 3.4Å; I345-T347 HydrophobicContact CG2-CG2 3.95Å
346	L	78.1	Confident	82.2	Confident	23 Å²	23	33 Å²	33	12%	0.12	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120	173.2	-178.7	65.2	0	0	0	109.2	I243 I245 L326 F327 I389	I243-L346 HydrophobicContact CB-CD1 3.68Å; I243-L346 HydrophobicContact CG2-CD1 3.5Å; I243-L346 VanDerWaalsContact CG2-CD1 3.5Å; I243-L346 WeakPolarHBondContact O-CA 3.37Å; I243-L346 WeakPolarHBondContact O-CD1 3.42Å; I245-L346 HydrophobicContact CD1-CD1 3.94Å; I245-L346 HydrophobicContact CG1-CD1 4.23Å; L326-L346 HydrophobicContact CB-CB 4.38Å; L326-L346 HydrophobicContact CB-CD2 3.83Å; L326-L346 HydrophobicContact CB-CG 3.97Å; L326-L346 HydrophobicContact CD1-CD2 4.02Å; L326-L346 HydrophobicContact CD1-CG 4.32Å; L326-L346 PolarHBondContact N-O 2.96Å; F327-L346 HydrophobicContact CB-CB 3.73Å; F327-L346 HydrophobicContact CB-CD2 4.35Å; F327-L346 PolarHBondContact N-O 3.44Å; F327-L346 PolarHBondContact O-N 2.81Å; L346-I389 HydrophobicContact CD1-CG2 4.48Å
347	T	74.8	Confident	82.9	Confident	3 Å²	3	33 Å²	33	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.9	-178.6	42.9	0	0	0	0	111.2	I243 I245 H324 I325 I345 Y349	I243-T347 PolarHBondContact O-N 2.84Å; I245-T347 PolarHBondContact N-O 2.76Å; H324-T347 CarbonylContact O-C 3.51Å; H324-T347 WeakPolarHBondContact O-CA 3.25Å; I325-T347 HydrophobicContact CG1-CG2 3.98Å; I345-T347 HydrophobicContact CG2-CG2 3.95Å; T347-Y349 WeakPolarHBondContact OG1-CE2 3.29Å; T347-Y349 PolarHBondContact OG1-OH 2.73Å
348	V	76.7	Confident	83.3	Confident	31 Å²	31	33 Å²	33	19%	0.188	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.5	171.4	177.7	0	0	0	0	110.1	I245 L247 H324 L326	I245-V348 HydrophobicContact CB-CG2 4Å; I245-V348 HydrophobicContact CD1-CG2 4.04Å; I245-V348 HydrophobicContact CG1-CG2 4.49Å; I245-V348 HydrophobicContact CG2-CG2 4.35Å; I245-V348 CarbonylContact O-C 3.56Å; I245-V348 WeakPolarHBondContact O-CA 3.25Å; L247-V348 HydrophobicContact CD1-CG1 3.98Å; H324-V348 PolarHBondContact ND1-O 2.76Å; H324-V348 PolarHBondContact O-N 3.42Å; L326-V348 HydrophobicContact CD1-CB 4.47Å; L326-V348 HydrophobicContact CD1-CG2 3.27Å; L326-V348 HydrophobicContact CD2-CG2 4.39Å; L326-V348 HydrophobicContact CG-CB 4.42Å; L326-V348 HydrophobicContact CG-CG2 3.63Å
349	Y	78.8	Confident	83.5	Confident	12 Å²	12	34.9 Å²	34.9	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	99.8	177.3	-59	-71.5	0	0	0	110.5	P244 I245 M246 L247 F286 L287 A319 T347	P244-Y349 HydrophobicContact CB-CD2 4.12Å; P244-Y349 HydrophobicContact CB-CE2 3.67Å; I245-Y349 PolarHBondContact O-N 2.82Å; M246-Y349 HydrophobicContact CG-CD2 3.79Å; M246-Y349 HydrophobicContact CG-CG 4.31Å; L247-Y349 PolarHBondContact N-O 2.9Å; F286-Y349 PolarHBondContact O-OH 2.78Å; L287-Y349 HydrophobicContact CD2-CD2 4.12Å; L287-Y349 HydrophobicContact CD2-CE2 3.74Å; A319-Y349 HydrophobicContact CB-CE1 3.44Å; A319-Y349 VanDerWaalsContact CB-CE1 3.44Å; A319-Y349 VanDerWaalsContact CB-OH 3.24Å; A319-Y349 WeakPolarHBondContact CB-OH 3.25Å; T347-Y349 WeakPolarHBondContact OG1-CE2 3.29Å; T347-Y349 PolarHBondContact OG1-OH 2.73Å
350	M	79.3	Confident	83.7	Confident	58 Å²	58	35.7 Å²	35.7	29%	0.286	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.1	174.2	-178	53	164.4	0	0	111.5	L247 Y254 K352 R356	L247-M350 HydrophobicContact CB-SD 3.55Å; L247-M350 VanDerWaalsContact CB-SD 3.55Å; L247-M350 HydrophobicContact CD1-SD 4.4Å; Y254-M350 HydrophobicContact CD1-CE 3.56Å; Y254-M350 HydrophobicContact CE1-CE 3.12Å; M350-K352 HydrophobicContact CE-CB 4.02Å; M350-K352 HydrophobicContact CE-CG 4.39Å; M350-K352 HydrophobicContact CG-CB 4.4Å; M350-R356 PolarHBondContact O-NH2 2.73Å
351	D	83.9	Confident	83.9	Confident	11 Å²	11	40 Å²	40	6%	0.059	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	59.9	174.4	-161.2	23.5	0	0	0	112.1	L247 Y353 Q354 K355 R356 G358	L247-D351 PolarHBondContact O-N 3.4Å; D351-Y353 PolarHBondContact O-N 3.41Å; D351-Y353 VanDerWaalsContact O-N 3.09Å; D351-Q354 PolarHBondContact O-N 2.72Å; D351-Q354 WeakPolarHBondContact OD2-CA 3.47Å; D351-K355 PolarHBondContact OD1-N 2.85Å; D351-K355 PolarHBondContact OD2-N 2.99Å; D351-R356 IonicContact OD1-CZ 3.93Å; D351-R356 PolarHBondContact OD1-N 3.15Å; D351-R356 IonicContact OD1-NE 3.36Å; D351-R356 PolarHBondContact OD1-NE 2.78Å; D351-R356 IonicContact OD1-NH2 3.6Å; D351-R356 VanDerWaalsContact OD2-C 3.27Å; D351-R356 VanDerWaalsContact OD2-CA 3.31Å; D351-R356 WeakPolarHBondContact OD2-CA 3.46Å; D351-R356 WeakPolarHBondContact OD2-CB 3.31Å; D351-R356 PolarHBondContact OD2-N 2.7Å; D351-G358 VanDerWaalsContact OD2-CA 3.31Å; D351-G358 WeakPolarHBondContact OD2-CA 3.17Å; D351-G358 PolarHBondContact OD2-N 3.16Å
352	K	80.4	Confident	84.2	Confident	73 Å²	73	39.7 Å²	39.7	32%	0.317	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-40.9	-176.2	-175.6	179.8	178.6	-171.9	0	113.6	M350	M350-K352 HydrophobicContact CE-CB 4.02Å; M350-K352 HydrophobicContact CE-CG 4.39Å; M350-K352 HydrophobicContact CG-CB 4.4Å
353	Y	84.1	Confident	84.9	Confident	154 Å²	154	43.6 Å²	43.6	60%	0.604	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	12.8	-175.1	-54.5	-64.1	0	0	0	113.6	D351 K355	D351-Y353 PolarHBondContact O-N 3.41Å; D351-Y353 VanDerWaalsContact O-N 3.09Å; Y353-K355 VanDerWaalsContact C-N 3.33Å; Y353-K355 PolarHBondContact O-N 2.83Å
354	Q	86.9	Confident	85.3	Confident	61 Å²	61	51.2 Å²	51.2	29%	0.285	24%	0.243	S	C	.	.			trans	50.1	49.2	-178.9	-58	-176.3	26.1	0	0	112.6	G249 N250 D351 G358 S359	G249-Q354 VanDerWaalsContact O-CG 3.32Å; G249-Q354 WeakPolarHBondContact O-CG 3.4Å; G249-Q354 PolarHBondContact O-NE2 2.97Å; N250-Q354 PolarHBondContact OD1-NE2 2.79Å; D351-Q354 PolarHBondContact O-N 2.72Å; D351-Q354 WeakPolarHBondContact OD2-CA 3.47Å; Q354-G358 PolarHBondContact OE1-O 2.97Å; Q354-S359 VanDerWaalsContact O-CB 3.31Å; Q354-S359 WeakPolarHBondContact O-CB 3.44Å
355	K	85.3	Confident	86	Confident	145 Å²	145	52.3 Å²	52.3	63%	0.63	25%	0.247	S	C	*	.	S	Bend	trans	-97.3	-4.5	-179.9	-68	-174.9	-179.1	-179.3	0	112.9	D351 Y353	D351-K355 PolarHBondContact OD1-N 2.85Å; D351-K355 PolarHBondContact OD2-N 2.99Å; Y353-K355 VanDerWaalsContact C-N 3.33Å; Y353-K355 PolarHBondContact O-N 2.83Å
356	R	88.3	Confident	86.5	Confident	42 Å²	42	52.8 Å²	52.8	16%	0.158	25%	0.249	C	C	.	.	S	Bend	trans	-131.1	-137.6	-176.6	-68.6	170.9	-74.7	177.9	-7.9	108.9	R314 M350 D351 G358 S359	R314-R356 HydrophobicContact CB-CG 4Å; M350-R356 PolarHBondContact O-NH2 2.73Å; D351-R356 IonicContact OD1-CZ 3.93Å; D351-R356 PolarHBondContact OD1-N 3.15Å; D351-R356 IonicContact OD1-NE 3.36Å; D351-R356 PolarHBondContact OD1-NE 2.78Å; D351-R356 IonicContact OD1-NH2 3.6Å; D351-R356 VanDerWaalsContact OD2-C 3.27Å; D351-R356 VanDerWaalsContact OD2-CA 3.31Å; D351-R356 WeakPolarHBondContact OD2-CA 3.46Å; D351-R356 WeakPolarHBondContact OD2-CB 3.31Å; D351-R356 PolarHBondContact OD2-N 2.7Å; R356-G358 PolarHBondContact O-N 3.48Å; R356-S359 WeakPolarHBondContact O-CB 3.49Å; R356-S359 PolarHBondContact O-N 3.11Å; R356-S359 VanDerWaalsContact O-N 3.15Å; R356-S359 PolarHBondContact O-OG 3.06Å
357	L	90.3	Very high	86.9	Confident	9 Å²	9	60.8 Å²	60.8	5%	0.047	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26.3	179.1	-68.3	178.4	0	0	0	113.7	M246 L287 I295 L299 T311 L312 T315 S359 Y360	M246-L357 HydrophobicContact SD-CD1 4.05Å; L287-L357 HydrophobicContact CD1-CD1 3.76Å; I295-L357 HydrophobicContact CG2-CD2 3.86Å; L299-L357 HydrophobicContact CD1-CD2 3.75Å; T311-L357 HydrophobicContact CG2-CD2 4.04Å; L312-L357 HydrophobicContact CD2-CD2 4.3Å; T315-L357 HydrophobicContact CG2-CD1 3.78Å; T315-L357 HydrophobicContact CG2-CG 4.03Å; L357-S359 PolarHBondContact O-N 3.44Å; L357-S359 VanDerWaalsContact O-N 3.14Å; L357-Y360 PolarHBondContact O-N 3.38Å; L357-Y360 VanDerWaalsContact O-N 3.15Å
358	G	90	Very high	87.4	Confident	1 Å²	1	66 Å²	66	1%	0.01	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-62.9	-19.4	178.2	0	0	0	0	0	113.9	R248 D351 Q354 R356 Y360	R248-G358 VanDerWaalsContact CD-O 3.24Å; R248-G358 WeakPolarHBondContact CD-O 3.37Å; R248-G358 PolarHBondContact NH1-O 3.39Å; D351-G358 VanDerWaalsContact OD2-CA 3.31Å; D351-G358 WeakPolarHBondContact OD2-CA 3.17Å; D351-G358 PolarHBondContact OD2-N 3.16Å; Q354-G358 PolarHBondContact OE1-O 2.97Å; R356-G358 PolarHBondContact O-N 3.48Å; G358-Y360 VanDerWaalsContact C-N 3.33Å
359	S	91	Very high	87.9	Confident	40 Å²	40	65 Å²	65	28%	0.28	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-73.8	-18.2	176.6	67.2	0	0	0	0	114.9	W307 Q354 R356 L357	W307-S359 WeakPolarHBondContact CZ2-OG 3.28Å; Q354-S359 VanDerWaalsContact O-CB 3.31Å; Q354-S359 WeakPolarHBondContact O-CB 3.44Å; R356-S359 WeakPolarHBondContact O-CB 3.49Å; R356-S359 PolarHBondContact O-N 3.11Å; R356-S359 VanDerWaalsContact O-N 3.15Å; R356-S359 PolarHBondContact O-OG 3.06Å; L357-S359 PolarHBondContact O-N 3.44Å; L357-S359 VanDerWaalsContact O-N 3.14Å
360	Y	93.4	Very high	88.3	Confident	19 Å²	19	66.6 Å²	66.6	8%	0.075	32%	0.324	C	S	.	.	S	Bend	trans	-97.9	132.9	179.5	-166.9	-93.8	0	0	0	110.2	R248 I298 L299 A302 R303 L357 G358 F362 E365 W373	R248-Y360 PolarHBondContact NH1-O 2.71Å; I298-Y360 HydrophobicContact CG2-CE1 4.13Å; L299-Y360 HydrophobicContact CD2-CD1 3.84Å; L299-Y360 HydrophobicContact CD2-CD2 3.61Å; L299-Y360 HydrophobicContact CD2-CE1 4.26Å; L299-Y360 HydrophobicContact CD2-CE2 4.05Å; L299-Y360 HydrophobicContact CD2-CG 3.5Å; A302-Y360 HydrophobicContact CB-CE2 3.84Å; A302-Y360 WeakPolarHBondContact CB-OH 3.47Å; R303-Y360 HydrophobicContact CG-CD2 4.12Å; R303-Y360 HydrophobicContact CG-CE2 4.05Å; L357-Y360 PolarHBondContact O-N 3.38Å; L357-Y360 VanDerWaalsContact O-N 3.15Å; G358-Y360 VanDerWaalsContact C-N 3.33Å; Y360-F362 AromaticContact CD1-CD1 3.57Å; Y360-F362 HydrophobicContact CD1-CD1 3.57Å; Y360-F362 AromaticContact CD1-CD2 3.92Å; Y360-F362 HydrophobicContact CD1-CD2 3.92Å; Y360-F362 AromaticContact CD1-CE1 3.55Å; Y360-F362 HydrophobicContact CD1-CE1 3.55Å; Y360-F362 AromaticContact CD1-CE2 3.89Å; Y360-F362 HydrophobicContact CD1-CE2 3.89Å; Y360-F362 AromaticContact CD1-CG 3.77Å; Y360-F362 HydrophobicContact CD1-CG 3.77Å; Y360-F362 AromaticContact CD1-CZ 3.71Å; Y360-F362 HydrophobicContact CD1-CZ 3.71Å; Y360-F362 AromaticContact CE1-CD1 3.67Å; Y360-F362 HydrophobicContact CE1-CD1 3.67Å; Y360-F362 AromaticContact CE1-CE1 3.9Å; Y360-F362 HydrophobicContact CE1-CE1 3.9Å; Y360-F362 HydrophobicContact CE1-CG 4.11Å; Y360-F362 HydrophobicContact CG-CZ 4.42Å; Y360-E365 WeakPolarHBondContact CE1-OE2 3.46Å; Y360-E365 PolarHBondContact OH-OE1 2.7Å; Y360-E365 PolarHBondContact OH-OE2 2.89Å; Y360-W373 PolarHBondContact O-NE1 3.25Å; Y360-W373 VanDerWaalsContact O-NE1 3.11Å
361	D	92.9	Very high	88.7	Confident	89 Å²	89	65.1 Å²	65.1	48%	0.476	32%	0.315	S	S	.	.			trans	-100.5	111	175.9	-164.6	16.1	0	0	0	109.7	R248 T363	R248-D361 IonicContact NH2-OD1 3.72Å; D361-T363 PolarHBondContact O-N 3.3Å; D361-T363 PolarHBondContact OD1-OG1 2.87Å; D361-T363 PolarHBondContact OD2-OG1 3.42Å
362	F	93.2	Very high	89	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.009	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-82.1	6.7	-173.4	-70	-83.1	0	0	0	113.6	F257 I295 I298 L299 Y360 K364 E365 E366 I369 W373	F257-F362 HydrophobicContact CD2-CD2 4.44Å; F257-F362 HydrophobicContact CE2-CB 4.29Å; F257-F362 AromaticContact CE2-CD2 3.54Å; F257-F362 HydrophobicContact CE2-CD2 3.54Å; F257-F362 HydrophobicContact CE2-CE2 4.08Å; F257-F362 HydrophobicContact CE2-CG 4.03Å; F257-F362 HydrophobicContact CZ-CD2 4.11Å; F257-F362 HydrophobicContact CZ-CE2 4.41Å; F257-F362 HydrophobicContact CZ-CG 4.37Å; I295-F362 HydrophobicContact CG1-CE1 4.24Å; I295-F362 HydrophobicContact CG1-CZ 4.25Å; I295-F362 HydrophobicContact CG2-CE1 4.46Å; I295-F362 HydrophobicContact CG2-CZ 4.13Å; I298-F362 HydrophobicContact CG2-CD1 4.42Å; I298-F362 HydrophobicContact CG2-CE1 4.25Å; L299-F362 HydrophobicContact CD2-CE1 4.46Å; L299-F362 HydrophobicContact CD2-CZ 4.42Å; Y360-F362 AromaticContact CD1-CD1 3.57Å; Y360-F362 HydrophobicContact CD1-CD1 3.57Å; Y360-F362 AromaticContact CD1-CD2 3.92Å; Y360-F362 HydrophobicContact CD1-CD2 3.92Å; Y360-F362 AromaticContact CD1-CE1 3.55Å; Y360-F362 HydrophobicContact CD1-CE1 3.55Å; Y360-F362 AromaticContact CD1-CE2 3.89Å; Y360-F362 HydrophobicContact CD1-CE2 3.89Å; Y360-F362 AromaticContact CD1-CG 3.77Å; Y360-F362 HydrophobicContact CD1-CG 3.77Å; Y360-F362 AromaticContact CD1-CZ 3.71Å; Y360-F362 HydrophobicContact CD1-CZ 3.71Å; Y360-F362 AromaticContact CE1-CD1 3.67Å; Y360-F362 HydrophobicContact CE1-CD1 3.67Å; Y360-F362 AromaticContact CE1-CE1 3.9Å; Y360-F362 HydrophobicContact CE1-CE1 3.9Å; Y360-F362 HydrophobicContact CE1-CG 4.11Å; Y360-F362 HydrophobicContact CG-CZ 4.42Å; F362-K364 PolarHBondContact O-N 3.3Å; F362-E365 WeakPolarHBondContact CA-OE2 3.47Å; F362-E365 CarbonylContact O-C 3.57Å; F362-E365 PolarHBondContact O-N 3.04Å; F362-E366 WeakPolarHBondContact O-CG 3.2Å; F362-E366 PolarHBondContact O-N 3.26Å; F362-I369 HydrophobicContact CB-CD1 3.99Å; F362-I369 HydrophobicContact CD1-CD1 3.62Å; F362-I369 HydrophobicContact CE1-CD1 4.33Å; F362-I369 HydrophobicContact CG-CD1 3.94Å; F362-W373 AromaticContact CD2-NE1 3.64Å
363	T	92.7	Very high	89.5	Confident	82 Å²	82	61.9 Å²	61.9	50%	0.503	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-51.6	-33.7	-176	-54.8	0	0	0	0	113.5	D361	D361-T363 PolarHBondContact O-N 3.3Å; D361-T363 PolarHBondContact OD1-OG1 2.87Å; D361-T363 PolarHBondContact OD2-OG1 3.42Å
364	K	92.5	Very high	89.6	Confident	192 Å²	192	57 Å²	57	84%	0.835	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-77.1	-21.9	179.1	-66.8	-175.8	-179.5	-177.8	0	113.6	F362	F362-K364 PolarHBondContact O-N 3.3Å
365	E	93	Very high	89.2	Confident	30 Å²	30	55.5 Å²	55.5	14%	0.14	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	2.3	-175.6	-57.6	82.2	-173.5	0	0	112.7	I298 Y360 F362 E367 V368 I369	I298-E365 HydrophobicContact CD1-CB 3.92Å; I298-E365 HydrophobicContact CD1-CG 4.22Å; I298-E365 HydrophobicContact CG1-CG 4.28Å; I298-E365 HydrophobicContact CG2-CB 4.4Å; I298-E365 HydrophobicContact CG2-CG 3.75Å; Y360-E365 WeakPolarHBondContact CE1-OE2 3.46Å; Y360-E365 PolarHBondContact OH-OE1 2.7Å; Y360-E365 PolarHBondContact OH-OE2 2.89Å; F362-E365 WeakPolarHBondContact CA-OE2 3.47Å; F362-E365 CarbonylContact O-C 3.57Å; F362-E365 PolarHBondContact O-N 3.04Å; E365-E367 PolarHBondContact O-N 2.91Å; E365-E367 VanDerWaalsContact O-N 3.16Å; E365-V368 WeakPolarHBondContact O-CA 3.39Å; E365-V368 WeakPolarHBondContact O-CB 3.38Å; E365-V368 PolarHBondContact O-N 3.41Å; E365-I369 WeakPolarHBondContact O-CG1 3.49Å; E365-I369 PolarHBondContact O-N 3.28Å
366	E	90.9	Very high	88.3	Confident	32 Å²	32	49 Å²	49	15%	0.15	25%	0.25	C	C	.	.	H	α-helix	trans	-50.9	-39	-179.7	-84.3	-167.1	-177.6	0	0	112.6	L260 F362 V368 S370 R374	L260-E366 HydrophobicContact CD1-CB 3.49Å; L260-E366 VanDerWaalsContact CD1-CB 3.49Å; L260-E366 HydrophobicContact CD1-CG 3.68Å; L260-E366 WeakPolarHBondContact CD1-OE2 3.42Å; F362-E366 WeakPolarHBondContact O-CG 3.2Å; F362-E366 PolarHBondContact O-N 3.26Å; E366-V368 VanDerWaalsContact C-N 3.34Å; E366-V368 PolarHBondContact O-N 3.1Å; E366-S370 WeakPolarHBondContact O-CA 3.34Å; E366-S370 PolarHBondContact O-N 2.88Å; E366-R374 IonicContact OE1-CZ 2.76Å; E366-R374 IonicContact OE1-NH1 3.97Å; E366-R374 PolarHBondContact OE1-NH1 2.78Å; E366-R374 IonicContact OE1-NH2 3.58Å; E366-R374 PolarHBondContact OE1-NH2 3.11Å; E366-R374 IonicContact OE2-CZ 3.57Å; E366-R374 IonicContact OE2-NH1 3.59Å; E366-R374 IonicContact OE2-NH2 2.82Å; E366-R374 PolarHBondContact OE2-NH2 3.29Å
367	E	86.1	Confident	86.8	Confident	191 Å²	191	50.1 Å²	50.1	89%	0.893	27%	0.274	S	S	*	.	H	α-helix	trans	-66.8	-33.9	176.4	-65.4	-175.5	173.3	0	0	112.8	E365	E365-E367 PolarHBondContact O-N 2.91Å; E365-E367 VanDerWaalsContact O-N 3.16Å
368	V	86.4	Confident	85.2	Confident	113 Å²	113	56.3 Å²	56.3	69%	0.685	31%	0.307	S	S	*	.	H	α-helix	trans	-80.1	-43.7	-176.8	-178.5	0	0	0	0	111	E365 E366	E365-V368 WeakPolarHBondContact O-CA 3.39Å; E365-V368 WeakPolarHBondContact O-CB 3.38Å; E365-V368 PolarHBondContact O-N 3.41Å; E366-V368 VanDerWaalsContact C-N 3.34Å; E366-V368 PolarHBondContact O-N 3.1Å
369	I	87.1	Confident	83.5	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-92.6	-19.4	-177.4	63.6	-177.7	0	0	0	113.1	F257 N294 I298 F362 E365 Y371	F257-I369 HydrophobicContact CZ-CD1 3.87Å; N294-I369 HydrophobicContact CB-CG2 4.27Å; I298-I369 HydrophobicContact CD1-CG2 3.12Å; F362-I369 HydrophobicContact CB-CD1 3.99Å; F362-I369 HydrophobicContact CD1-CD1 3.62Å; F362-I369 HydrophobicContact CE1-CD1 4.33Å; F362-I369 HydrophobicContact CG-CD1 3.94Å; E365-I369 WeakPolarHBondContact O-CG1 3.49Å; E365-I369 PolarHBondContact O-N 3.28Å; I369-Y371 HydrophobicContact CB-CD2 4.47Å; I369-Y371 WeakPolarHBondContact CG1-O 3.44Å; I369-Y371 WeakPolarHBondContact O-CD2 3.28Å; I369-Y371 VanDerWaalsContact O-CE2 3.23Å; I369-Y371 WeakPolarHBondContact O-CE2 3.49Å; I369-Y371 PolarHBondContact O-N 3.48Å
370	S	86.7	Confident	81.4	Confident	45 Å²	45	57.7 Å²	57.7	32%	0.315	32%	0.317	S	S	.	.	S	Bend	trans	61.7	19.1	-172.4	-55	0	0	0	0	114.6	K259 L260 E366	K259-S370 WeakPolarHBondContact CA-O 3.39Å; L260-S370 PolarHBondContact N-O 3.23Å; E366-S370 WeakPolarHBondContact O-CA 3.34Å; E366-S370 PolarHBondContact O-N 2.88Å
371	Y	88.4	Confident	79.1	Confident	27 Å²	27	58.8 Å²	58.8	11%	0.106	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151	177.3	-62.8	-90.1	0	0	0	111	F257 V258 K259 F275 L291 I369	F257-Y371 HydrophobicContact CD1-CD1 4.47Å; F257-Y371 HydrophobicContact CD1-CG 4.45Å; F257-Y371 HydrophobicContact CE1-CD1 4.32Å; F257-Y371 AromaticContact CE1-CG 3.88Å; F257-Y371 HydrophobicContact CE1-CG 3.88Å; F257-Y371 VanDerWaalsContact CZ-CB 3.41Å; F257-Y371 HydrophobicContact CZ-CG 4.44Å; V258-Y371 CarbonylContact O-C 3.44Å; V258-Y371 WeakPolarHBondContact O-CA 3.5Å; K259-Y371 HydrophobicContact CB-CD1 3.95Å; K259-Y371 HydrophobicContact CB-CE1 3.5Å; K259-Y371 VanDerWaalsContact CB-CE1 3.5Å; K259-Y371 HydrophobicContact CD-CE1 4.41Å; K259-Y371 HydrophobicContact CG-CD1 4.48Å; K259-Y371 HydrophobicContact CG-CE1 3.88Å; F275-Y371 HydrophobicContact CB-CE1 4.23Å; F275-Y371 AromaticContact CD2-CE1 3.92Å; F275-Y371 HydrophobicContact CD2-CE1 3.92Å; F275-Y371 HydrophobicContact CD2-CE2 4.18Å; F275-Y371 AromaticContact CD2-CZ 3.55Å; F275-Y371 VanDerWaalsContact CD2-OH 3.3Å; F275-Y371 WeakPolarHBondContact CD2-OH 3.4Å; F275-Y371 HydrophobicContact CE2-CE2 4.48Å; L291-Y371 HydrophobicContact CD1-CD2 3.98Å; L291-Y371 HydrophobicContact CD1-CE2 4.38Å; I369-Y371 HydrophobicContact CB-CD2 4.47Å; I369-Y371 WeakPolarHBondContact CG1-O 3.44Å; I369-Y371 WeakPolarHBondContact O-CD2 3.28Å; I369-Y371 VanDerWaalsContact O-CE2 3.23Å; I369-Y371 WeakPolarHBondContact O-CE2 3.49Å; I369-Y371 PolarHBondContact O-N 3.48Å
372	G	89.8	Confident	76.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	167.9	176.3	0	0	0	0	0	112.6	F257 V258	F257-G372 WeakPolarHBondContact CA-O 3.31Å; V258-G372 PolarHBondContact N-O 2.9Å; V258-G372 PolarHBondContact O-N 3.23Å
373	W	89.8	Confident	74.2	Confident	16 Å²	16	60.1 Å²	60.1	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.2	176.3	-63.8	108	0	0	0	110.6	M246 R248 E255 L256 F257 Y360 F362	M246-W373 HydrophobicContact CB-CH2 4.21Å; M246-W373 HydrophobicContact CB-CZ3 4.43Å; R248-W373 HydrophobicContact CB-CE3 4.43Å; R248-W373 HydrophobicContact CB-CH2 4.07Å; R248-W373 HydrophobicContact CB-CZ3 3.96Å; R248-W373 HydrophobicContact CG-CD2 4.04Å; R248-W373 HydrophobicContact CG-CE3 3.68Å; R248-W373 HydrophobicContact CG-CH2 4.13Å; R248-W373 HydrophobicContact CG-CZ2 4.45Å; R248-W373 HydrophobicContact CG-CZ3 3.72Å; R248-W373 VanDerWaalsContact NH1-CD1 3.3Å; R248-W373 VanDerWaalsContact NH2-CD1 3.28Å; E255-W373 HydrophobicContact CB-CB 4.3Å; E255-W373 HydrophobicContact CB-CE3 4.28Å; E255-W373 WeakPolarHBondContact OE2-CB 3.38Å; L256-W373 CarbonylContact O-C 3.58Å; L256-W373 WeakPolarHBondContact O-CA 3.46Å; F257-W373 HydrophobicContact CB-CD2 4.38Å; F257-W373 HydrophobicContact CB-CE3 3.9Å; F257-W373 HydrophobicContact CB-CH2 4.15Å; F257-W373 HydrophobicContact CB-CZ3 3.78Å; F257-W373 AromaticContact CD2-CD2 3.8Å; F257-W373 HydrophobicContact CD2-CD2 3.8Å; F257-W373 AromaticContact CD2-CE2 3.8Å; F257-W373 HydrophobicContact CD2-CE3 4.19Å; F257-W373 HydrophobicContact CD2-CG 4.15Å; F257-W373 HydrophobicContact CD2-CZ2 4.17Å; Y360-W373 PolarHBondContact O-NE1 3.25Å; Y360-W373 VanDerWaalsContact O-NE1 3.11Å; F362-W373 AromaticContact CD2-NE1 3.64Å
374	R	86.3	Confident	72	Confident	51 Å²	51	60.9 Å²	60.9	19%	0.192	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.4	177.2	-63.8	-65.8	-180	-91.4	8.7	111.1	E255 L256 V258 W263 E366 I376	E255-R374 CarbonylContact C-O 3.34Å; E255-R374 WeakPolarHBondContact CA-O 3.3Å; L256-R374 PolarHBondContact N-O 3.24Å; L256-R374 PolarHBondContact O-N 2.79Å; V258-R374 HydrophobicContact CG2-CB 3.84Å; V258-R374 HydrophobicContact CG2-CG 3.37Å; W263-R374 HydrophobicContact CD2-CB 4Å; W263-R374 HydrophobicContact CD2-CG 3.94Å; W263-R374 HydrophobicContact CE3-CB 4.46Å; W263-R374 HydrophobicContact CG-CG 3.98Å; W263-R374 HydrophobicContact CH2-CB 3.92Å; W263-R374 HydrophobicContact CZ2-CB 3.49Å; W263-R374 VanDerWaalsContact CZ2-CB 3.49Å; W263-R374 HydrophobicContact CZ2-CG 4.2Å; W263-R374 HydrophobicContact CZ3-CB 4.41Å; E366-R374 IonicContact OE1-CZ 2.76Å; E366-R374 IonicContact OE1-NH1 3.97Å; E366-R374 PolarHBondContact OE1-NH1 2.78Å; E366-R374 IonicContact OE1-NH2 3.58Å; E366-R374 PolarHBondContact OE1-NH2 3.11Å; E366-R374 IonicContact OE2-CZ 3.57Å; E366-R374 IonicContact OE2-NH1 3.59Å; E366-R374 IonicContact OE2-NH2 2.82Å; E366-R374 PolarHBondContact OE2-NH2 3.29Å; R374-I376 PolarHBondContact O-N 2.94Å
375	S	78.2	Confident	69.8	Low	31 Å²	31	54 Å²	54	22%	0.217	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	129.4	177.7	174.4	0	0	0	0	110.8	V253 G377	V253-S375 VanDerWaalsContact CG1-OG 3.24Å; V253-S375 WeakPolarHBondContact CG1-OG 3.47Å; S375-G377 VanDerWaalsContact C-N 3.32Å; S375-G377 PolarHBondContact OG-N 3.16Å
376	I	66.5	Low	67.5	Low	9 Å²	9	54.7 Å²	54.7	5%	0.046	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-73.7	-28.8	177.6	-61.6	167.7	0	0	0	110.8	L247 Y254 L256 L269 R374 N378 A379 V429 L430	L247-I376 HydrophobicContact CD2-CD1 3.52Å; Y254-I376 PolarHBondContact O-N 2.77Å; L256-I376 HydrophobicContact CB-CD1 4.13Å; L256-I376 HydrophobicContact CB-CG1 3.89Å; L269-I376 HydrophobicContact CD1-CG2 4.36Å; R374-I376 PolarHBondContact O-N 2.94Å; I376-N378 PolarHBondContact O-N 3.38Å; I376-A379 VanDerWaalsContact O-CB 3.32Å; I376-A379 WeakPolarHBondContact O-CB 3.33Å; I376-A379 PolarHBondContact O-N 3.32Å; I376-V429 HydrophobicContact CD1-CG1 4.48Å; I376-V429 HydrophobicContact CG2-CG1 3.8Å; I376-L430 HydrophobicContact CG2-CD2 3.82Å
377	G	57.8	Low	65.4	Low	64 Å²	64	53.9 Å²	53.9	66%	0.66	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-62.6	-17.9	-177.8	0	0	0	0	0	114.5	S375	S375-G377 VanDerWaalsContact C-N 3.32Å; S375-G377 PolarHBondContact OG-N 3.16Å
378	N	55.9	Low	63.4	Low	140 Å²	140	46.1 Å²	46.1	75%	0.749	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-96.7	1.4	176.9	-69.1	-10.2	0	0	0	113.3	I376	I376-N378 PolarHBondContact O-N 3.38Å
379	A	54.9	Low	61.4	Low	12 Å²	12	42 Å²	42	10%	0.099	25%	0.252	C	S	.	.			trans	-97.4	132.9	-172.7	0	0	0	0	0	110.4	W263 L269 I376	W263-A379 HydrophobicContact CH2-CB 3.66Å; W263-A379 HydrophobicContact CZ2-CB 4.45Å; W263-A379 HydrophobicContact CZ3-CB 4.24Å; L269-A379 HydrophobicContact CD1-CB 3.15Å; L269-A379 HydrophobicContact CG-CB 4.03Å; I376-A379 VanDerWaalsContact O-CB 3.32Å; I376-A379 WeakPolarHBondContact O-CB 3.33Å; I376-A379 PolarHBondContact O-N 3.32Å
380	S	45.9	Very low	59.5	Low	58 Å²	58	43.9 Å²	43.9	41%	0.406	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-84.9	114.9	172	42.7	0	0	0	0	108.8	K267 K268 L269	K267-S380 PolarHBondContact O-OG 2.89Å; K268-S380 VanDerWaalsContact CG-OG 3.26Å; K268-S380 WeakPolarHBondContact CG-OG 3.48Å; L269-S380 WeakPolarHBondContact CB-O 3.37Å; L269-S380 PolarHBondContact N-O 3.3Å
381	V	46.6	Very low	57.4	Low	41 Å²	41	42.7 Å²	42.7	25%	0.248	25%	0.252	C	S	.	.			trans	-88.9	107.2	168.5	-176.7	0	0	0	0	106.4	L269 W385 L430	L269-V381 HydrophobicContact CB-CB 4.38Å; L269-V381 HydrophobicContact CB-CG2 3.78Å; L269-V381 HydrophobicContact CD1-CG2 3.36Å; L269-V381 HydrophobicContact CD2-CG2 4.21Å; L269-V381 HydrophobicContact CG-CG2 3.96Å; V381-W385 HydrophobicContact CG1-CB 4.25Å; V381-W385 HydrophobicContact CG1-CD2 4.33Å; V381-W385 HydrophobicContact CG1-CG 3.68Å; V381-L430 HydrophobicContact CB-CD1 3.95Å; V381-L430 HydrophobicContact CG2-CD1 3.63Å; V381-L430 HydrophobicContact CG2-CD2 3.92Å; V381-L430 HydrophobicContact CG2-CG 4.25Å
382	G	43.5	Very low	55.5	Low	21 Å²	21	45.5 Å²	45.5	22%	0.216	27%	0.269	C	S	.	.			trans	-81	169.4	165.1	0	0	0	0	0	110.4	D270 E384 W385	D270-G382 WeakPolarHBondContact OD1-CA 2.85Å; D270-G382 PolarHBondContact OD1-N 3.49Å; D270-G382 WeakPolarHBondContact OD2-CA 3.49Å; D270-G382 PolarHBondContact OD2-N 2.86Å; D270-G382 VanDerWaalsContact OD2-N 3.07Å; G382-E384 PolarHBondContact O-N 3.03Å; G382-W385 VanDerWaalsContact O-CD1 3.28Å; G382-W385 PolarHBondContact O-N 2.89Å
383	S	40.1	Very low	53.2	Low	98 Å²	98	48.2 Å²	48.2	69%	0.685	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.7	-173.1	54.7	0	0	0	0	114.4	F386	S383-F386 WeakPolarHBondContact O-CE1 3.21Å
384	E	45.6	Very low	51	Low	99 Å²	99	48.9 Å²	48.9	46%	0.463	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	6.4	-173.4	-61.1	-163.1	144	0	0	113.5	G382 F386 Q387 K402	G382-E384 PolarHBondContact O-N 3.03Å; E384-F386 PolarHBondContact O-N 3.26Å; E384-Q387 HydrophobicContact CB-CG 4.39Å; E384-Q387 WeakPolarHBondContact O-CA 3.3Å; E384-Q387 VanDerWaalsContact O-CB 3.27Å; E384-Q387 WeakPolarHBondContact O-CB 3.17Å; E384-Q387 PolarHBondContact O-N 2.82Å; E384-K402 IonicContact OE1-NZ 3.48Å; E384-K402 PolarHBondContact OE1-NZ 2.7Å
385	W	46	Very low	49.3	Very low	47 Å²	47	49.9 Å²	49.9	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-54.6	-29.9	179.9	77.2	-81.1	0	0	0	114	D270 V381 G382 Q387 S388 I389 V425	D270-W385 PolarHBondContact OD1-N 3.08Å; V381-W385 HydrophobicContact CG1-CB 4.25Å; V381-W385 HydrophobicContact CG1-CD2 4.33Å; V381-W385 HydrophobicContact CG1-CG 3.68Å; G382-W385 VanDerWaalsContact O-CD1 3.28Å; G382-W385 PolarHBondContact O-N 2.89Å; W385-Q387 PolarHBondContact O-N 3.12Å; W385-S388 PolarHBondContact O-N 3.29Å; W385-S388 PolarHBondContact O-OG 3.05Å; W385-I389 HydrophobicContact CE3-CD1 3.58Å; W385-I389 HydrophobicContact CE3-CG1 4.26Å; W385-I389 HydrophobicContact CH2-CD1 3.98Å; W385-I389 HydrophobicContact CZ3-CD1 3.22Å; W385-I389 HydrophobicContact CZ3-CG1 4.28Å; W385-V425 HydrophobicContact CH2-CG1 4.2Å; W385-V425 HydrophobicContact CZ2-CG1 4.01Å
386	F	46	Very low	47.7	Very low	44 Å²	44	52.8 Å²	52.8	19%	0.193	31%	0.307	C	S	.	.	H	α-helix	trans	-68.3	-25.3	175.1	68.2	-90.2	0	0	0	112.7	S383 E384 S388 I389 M418 V422	S383-F386 WeakPolarHBondContact O-CE1 3.21Å; E384-F386 PolarHBondContact O-N 3.26Å; F386-S388 VanDerWaalsContact C-N 3.28Å; F386-S388 PolarHBondContact O-N 3.28Å; F386-I389 PolarHBondContact O-N 3.24Å; F386-M418 HydrophobicContact CD2-CE 4.13Å; F386-M418 HydrophobicContact CD2-SD 4.49Å; F386-M418 HydrophobicContact CE2-CE 4.1Å; F386-M418 HydrophobicContact CE2-SD 3.93Å; F386-V422 HydrophobicContact CB-CG2 4.37Å; F386-V422 HydrophobicContact CD1-CG2 3.6Å; F386-V422 HydrophobicContact CE1-CG2 4.17Å; F386-V422 HydrophobicContact CG-CG2 4.19Å
387	Q	45.8	Very low	46.5	Very low	16 Å²	16	58 Å²	58	8%	0.075	33%	0.327	C	S	.	.	H	α-helix	trans	-72.1	-22.7	175.1	-56.3	-154.7	-19.7	0	0	112.3	E384 W385	E384-Q387 HydrophobicContact CB-CG 4.39Å; E384-Q387 WeakPolarHBondContact O-CA 3.3Å; E384-Q387 VanDerWaalsContact O-CB 3.27Å; E384-Q387 WeakPolarHBondContact O-CB 3.17Å; E384-Q387 PolarHBondContact O-N 2.82Å; W385-Q387 PolarHBondContact O-N 3.12Å
388	S	45	Very low	45.7	Very low	27 Å²	27	57 Å²	57	19%	0.189	31%	0.308	C	S	.	.	H	α-helix	trans	-83.3	-16.2	174.8	63.5	0	0	0	0	113.7	D270 W385 F386 L390	D270-S388 WeakPolarHBondContact O-CB 3.31Å; D270-S388 PolarHBondContact O-OG 2.74Å; W385-S388 PolarHBondContact O-N 3.29Å; W385-S388 PolarHBondContact O-OG 3.05Å; F386-S388 VanDerWaalsContact C-N 3.28Å; F386-S388 PolarHBondContact O-N 3.28Å; S388-L390 VanDerWaalsContact C-N 3.34Å
389	I	42.9	Very low	45.3	Very low	28 Å²	28	54.2 Å²	54.2	14%	0.144	29%	0.29	C	S	.	.	H	α-helix	trans	-75.1	-27.8	169.6	-55.1	172.1	0	0	0	111.2	L274 L346 W385 F386	L274-I389 HydrophobicContact CD1-CB 4.21Å; L274-I389 HydrophobicContact CD1-CD1 4.35Å; L274-I389 HydrophobicContact CD1-CG1 3.74Å; L274-I389 HydrophobicContact CD1-CG2 3.82Å; L346-I389 HydrophobicContact CD1-CG2 4.48Å; W385-I389 HydrophobicContact CE3-CD1 3.58Å; W385-I389 HydrophobicContact CE3-CG1 4.26Å; W385-I389 HydrophobicContact CH2-CD1 3.98Å; W385-I389 HydrophobicContact CZ3-CD1 3.22Å; W385-I389 HydrophobicContact CZ3-CG1 4.28Å; F386-I389 PolarHBondContact O-N 3.24Å
390	L	47.4	Very low	44.8	Very low	47 Å²	47	56 Å²	56	25%	0.246	31%	0.31	C	S	.	.	S	Bend	trans	-75.9	135.2	-178.7	-66.1	174.2	0	0	0	110.3	S388 L394	S388-L390 VanDerWaalsContact C-N 3.34Å; L390-L394 HydrophobicContact CB-CB 4Å; L390-L394 HydrophobicContact CD2-CD1 4.43Å
391	P	44	Very low	44.5	Very low	20 Å²	20	57.8 Å²	57.8	13%	0.13	31%	0.311	C	S	.	.			trans	-47.9	143.5	169.3	-28.3	33.4	0	0	0	111.7	L241 Q393 L394 R395	L241-P391 HydrophobicContact CD2-CG 4.13Å; P391-Q393 PolarHBondContact O-N 2.92Å; P391-L394 HydrophobicContact CB-CD1 4.45Å; P391-L394 HydrophobicContact CG-CD1 4.11Å; P391-L394 WeakPolarHBondContact O-CA 3.37Å; P391-L394 WeakPolarHBondContact O-CB 3.42Å; P391-L394 PolarHBondContact O-N 3.01Å; P391-R395 PolarHBondContact O-N 3.48Å
392	D	47.1	Very low	44.2	Very low	86 Å²	86	61.1 Å²	61.1	46%	0.46	32%	0.321	S	S	.	.	H	α-helix	trans	-49.7	-34.7	-174.3	-69	-23.1	0	0	0	113.4	R395 V396	D392-R395 VanDerWaalsContact CG-NH2 3.32Å; D392-R395 WeakPolarHBondContact O-CB 3.22Å; D392-R395 PolarHBondContact O-N 3.22Å; D392-R395 IonicContact OD1-CZ 3.51Å; D392-R395 IonicContact OD1-NH1 3.33Å; D392-R395 PolarHBondContact OD1-NH1 2.78Å; D392-R395 IonicContact OD1-NH2 2.74Å; D392-R395 PolarHBondContact OD1-NH2 2.73Å; D392-V396 VanDerWaalsContact O-CG2 3.28Å; D392-V396 WeakPolarHBondContact O-CG2 2.83Å; D392-V396 PolarHBondContact O-N 3.06Å
393	Q	41.5	Very low	44	Very low	57 Å²	57	69 Å²	69	27%	0.266	35%	0.35	S	S	.	.	H	α-helix	trans	-65.8	-38.4	177.6	-61.6	-179.8	13.2	0	0	112.8	M334 P391 Y397	M334-Q393 HydrophobicContact CE-CG 4.16Å; P391-Q393 PolarHBondContact O-N 2.92Å; Q393-Y397 WeakPolarHBondContact O-CB 3.15Å; Q393-Y397 PolarHBondContact O-N 2.77Å
394	L	43.7	Very low	43.8	Very low	31 Å²	31	66.6 Å²	66.6	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-70.6	-39.2	173.2	-84.9	154.4	0	0	0	110.8	L390 P391 Y397 T398	L390-L394 HydrophobicContact CB-CB 4Å; L390-L394 HydrophobicContact CD2-CD1 4.43Å; P391-L394 HydrophobicContact CB-CD1 4.45Å; P391-L394 HydrophobicContact CG-CD1 4.11Å; P391-L394 WeakPolarHBondContact O-CA 3.37Å; P391-L394 WeakPolarHBondContact O-CB 3.42Å; P391-L394 PolarHBondContact O-N 3.01Å; L394-Y397 WeakPolarHBondContact O-CB 3.29Å; L394-Y397 PolarHBondContact O-N 3.24Å; L394-T398 WeakPolarHBondContact O-CG2 3.18Å; L394-T398 PolarHBondContact O-N 3.46Å; L394-T398 PolarHBondContact O-OG1 3.36Å
395	R	50.2	Low	43.4	Very low	71 Å²	71	68.6 Å²	68.6	27%	0.268	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-51.9	173.2	-172.8	174.8	65.4	-115.1	-3.5	111	P391 D392 Y397 T398 E399	P391-R395 PolarHBondContact O-N 3.48Å; D392-R395 VanDerWaalsContact CG-NH2 3.32Å; D392-R395 WeakPolarHBondContact O-CB 3.22Å; D392-R395 PolarHBondContact O-N 3.22Å; D392-R395 IonicContact OD1-CZ 3.51Å; D392-R395 IonicContact OD1-NH1 3.33Å; D392-R395 PolarHBondContact OD1-NH1 2.78Å; D392-R395 IonicContact OD1-NH2 2.74Å; D392-R395 PolarHBondContact OD1-NH2 2.73Å; R395-Y397 VanDerWaalsContact C-N 3.29Å; R395-Y397 PolarHBondContact O-N 2.92Å; R395-T398 PolarHBondContact O-N 3.28Å; R395-T398 VanDerWaalsContact O-N 3.11Å; R395-T398 PolarHBondContact O-OG1 3.14Å; R395-E399 HydrophobicContact CG-CG 4.35Å; R395-E399 WeakPolarHBondContact CG-OE1 3.31Å; R395-E399 IonicContact NE-OE1 3.96Å; R395-E399 WeakPolarHBondContact O-CB 3.08Å; R395-E399 WeakPolarHBondContact O-CG 3.48Å; R395-E399 PolarHBondContact O-N 2.85Å
396	V	45	Very low	43.2	Very low	92 Å²	92	74.1 Å²	74.1	56%	0.558	39%	0.385	S	S	*	.	H	α-helix	trans	-58.4	-39.1	176.9	171.7	0	0	0	0	112	D392 G400	D392-V396 VanDerWaalsContact O-CG2 3.28Å; D392-V396 WeakPolarHBondContact O-CG2 2.83Å; D392-V396 PolarHBondContact O-N 3.06Å; V396-G400 PolarHBondContact O-N 3.28Å
397	Y	41.7	Very low	43	Very low	120 Å²	120	79 Å²	79	47%	0.471	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-46.4	174.9	-180	-94.9	0	0	0	112.3	Q393 L394 R395 G400 K401	Q393-Y397 WeakPolarHBondContact O-CB 3.15Å; Q393-Y397 PolarHBondContact O-N 2.77Å; L394-Y397 WeakPolarHBondContact O-CB 3.29Å; L394-Y397 PolarHBondContact O-N 3.24Å; R395-Y397 VanDerWaalsContact C-N 3.29Å; R395-Y397 PolarHBondContact O-N 2.92Å; Y397-G400 PolarHBondContact O-N 3.29Å; Y397-K401 PolarHBondContact O-N 3.39Å
398	T	40.9	Very low	43.2	Very low	42 Å²	42	81.4 Å²	81.4	26%	0.258	42%	0.422	S	S	.	.	H	α-helix	trans	-66.6	-39.1	178	59.5	0	0	0	0	112.8	L394 R395 K401 K402	L394-T398 WeakPolarHBondContact O-CG2 3.18Å; L394-T398 PolarHBondContact O-N 3.46Å; L394-T398 PolarHBondContact O-OG1 3.36Å; R395-T398 PolarHBondContact O-N 3.28Å; R395-T398 VanDerWaalsContact O-N 3.11Å; R395-T398 PolarHBondContact O-OG1 3.14Å; T398-K401 PolarHBondContact O-N 2.9Å; T398-K402 PolarHBondContact O-N 3.34Å; T398-K402 VanDerWaalsContact O-N 3.1Å
399	E	48.3	Very low	43	Very low	82 Å²	82	87.8 Å²	87.8	38%	0.383	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-39.4	176.5	-72.6	175.2	-177.7	0	0	112.5	R395 K401 K402	R395-E399 HydrophobicContact CG-CG 4.35Å; R395-E399 WeakPolarHBondContact CG-OE1 3.31Å; R395-E399 IonicContact NE-OE1 3.96Å; R395-E399 WeakPolarHBondContact O-CB 3.08Å; R395-E399 WeakPolarHBondContact O-CG 3.48Å; R395-E399 PolarHBondContact O-N 2.85Å; E399-K401 PolarHBondContact O-N 3.45Å; E399-K402 PolarHBondContact O-N 3.45Å
400	G	43.3	Very low	42.8	Very low	50 Å²	50	90 Å²	90	52%	0.515	46%	0.464	S	S	.	.	H	α-helix	trans	-62.5	-32.2	176.3	0	0	0	0	0	112.8	V396 Y397	V396-G400 PolarHBondContact O-N 3.28Å; Y397-G400 PolarHBondContact O-N 3.29Å
401	K	39.1	Very low	42.4	Very low	95 Å²	95	90.3 Å²	90.3	41%	0.413	47%	0.465	S	S	.	.	H	α-helix	trans	-81.8	-29.6	176.2	-75.4	-83.3	-171.4	165.5	0	113.3	Y397 T398 E399 K403 A404 M411	Y397-K401 PolarHBondContact O-N 3.39Å; T398-K401 PolarHBondContact O-N 2.9Å; E399-K401 PolarHBondContact O-N 3.45Å; K401-K403 PolarHBondContact O-N 3.18Å; K401-A404 PolarHBondContact O-N 3.49Å; K401-M411 HydrophobicContact CB-CE 3.91Å; K401-M411 HydrophobicContact CD-CE 3.71Å; K401-M411 HydrophobicContact CG-CE 3.97Å
402	K	41.8	Very low	42.4	Very low	110 Å²	110	90.9 Å²	90.9	48%	0.478	47%	0.469	S	S	.	.	H	α-helix	trans	-59	-25.8	170.9	-85.8	-177.9	175.2	174.4	0	112.6	E384 T398 E399	E384-K402 IonicContact OE1-NZ 3.48Å; E384-K402 PolarHBondContact OE1-NZ 2.7Å; T398-K402 PolarHBondContact O-N 3.34Å; T398-K402 VanDerWaalsContact O-N 3.1Å; E399-K402 PolarHBondContact O-N 3.45Å
403	K	39.2	Very low	42.2	Very low	188 Å²	188	89.9 Å²	89.9	82%	0.817	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-2.4	-179.2	-67.8	-179.1	-179.7	174.1	0	114.6	K401	K401-K403 PolarHBondContact O-N 3.18Å
404	A	35.7	Very low	42.2	Very low	46 Å²	46	87.8 Å²	87.8	38%	0.38	46%	0.456	S	S	.	.	S	Bend	trans	-80.9	135.8	177.7	0	0	0	0	0	110.9	K401 E406	K401-A404 PolarHBondContact O-N 3.49Å; A404-E406 PolarHBondContact O-N 3.42Å; A404-E406 VanDerWaalsContact O-N 3.14Å
405	P	37	Very low	42.3	Very low	141 Å²	141	91 Å²	91	92%	0.916	47%	0.471	S	S	*	.	S	Bend	trans	-69.6	-7.2	-174.2	14.9	-16.4	0	0	0	115.3
406	E	42.4	Very low	42.2	Very low	163 Å²	163	95 Å²	95	76%	0.762	49%	0.49	S	S	*	.			trans	-112.8	102.5	172.6	-75	-179	158	0	0	110	A404 T408	A404-E406 PolarHBondContact O-N 3.42Å; A404-E406 VanDerWaalsContact O-N 3.14Å; E406-T408 VanDerWaalsContact C-N 3.28Å; E406-T408 PolarHBondContact O-N 2.88Å
407	K	41.8	Very low	42.3	Very low	146 Å²	146	92.3 Å²	92.3	64%	0.635	47%	0.474	S	S	*	.			trans	-61.7	97.6	158.7	-81.8	-164.8	179.8	-158.2	0	106.8	E409 E415	K407-E409 PolarHBondContact O-N 2.69Å; K407-E415 IonicContact NZ-OE1 2.89Å; K407-E415 IonicContact NZ-OE2 3.1Å; K407-E415 PolarHBondContact NZ-OE2 3.4Å
408	T	48.7	Very low	42.3	Very low	67 Å²	67	89 Å²	89	41%	0.411	46%	0.464	S	S	.	.			trans	-54.3	135.9	166.4	34.4	0	0	0	0	108.2	E406 T410 M411 S412	E406-T408 VanDerWaalsContact C-N 3.28Å; E406-T408 PolarHBondContact O-N 2.88Å; T408-T410 PolarHBondContact O-N 3.49Å; T408-T410 VanDerWaalsContact O-N 3.07Å; T408-M411 WeakPolarHBondContact O-CA 3.33Å; T408-M411 WeakPolarHBondContact O-CB 3.05Å; T408-M411 PolarHBondContact O-N 2.77Å; T408-S412 PolarHBondContact O-N 2.03Å
409	E	40.6	Very low	42.6	Very low	162 Å²	162	93.8 Å²	93.8	76%	0.757	48%	0.48	S	S	*	.	H	α-helix	trans	-52.3	-35.2	-175.6	-164.5	172.5	-165.7	0	0	111.7	K407 M411 S412 T413	K407-E409 PolarHBondContact O-N 2.69Å; E409-M411 PolarHBondContact O-N 2.83Å; E409-S412 PolarHBondContact O-N 2.71Å; E409-S412 PolarHBondContact O-OG 3.34Å; E409-T413 PolarHBondContact O-N 3.31Å; E409-T413 PolarHBondContact O-OG1 3.3Å
410	T	39	Very low	42.5	Very low	74 Å²	74	96.2 Å²	96.2	45%	0.454	49%	0.49	S	S	.	.	H	α-helix	trans	-56.7	-45.2	171.2	-31.3	0	0	0	0	112.6	T408 T413 I414	T408-T410 PolarHBondContact O-N 3.49Å; T408-T410 VanDerWaalsContact O-N 3.07Å; T410-T413 PolarHBondContact O-N 2.99Å; T410-I414 HydrophobicContact CG2-CD1 4Å; T410-I414 WeakPolarHBondContact O-CB 3.42Å; T410-I414 WeakPolarHBondContact O-CD1 3.4Å; T410-I414 WeakPolarHBondContact O-CG1 3.31Å; T410-I414 PolarHBondContact O-N 3.17Å
411	M	38.8	Very low	42.5	Very low	54 Å²	54	94.2 Å²	94.2	27%	0.266	47%	0.468	S	S	.	.	H	α-helix	trans	-70.2	-36.9	-178.2	-146.2	77.6	78.7	0	0	111.9	K401 T408 E409 T413 I414 E415	K401-M411 HydrophobicContact CB-CE 3.91Å; K401-M411 HydrophobicContact CD-CE 3.71Å; K401-M411 HydrophobicContact CG-CE 3.97Å; T408-M411 WeakPolarHBondContact O-CA 3.33Å; T408-M411 WeakPolarHBondContact O-CB 3.05Å; T408-M411 PolarHBondContact O-N 2.77Å; E409-M411 PolarHBondContact O-N 2.83Å; M411-T413 VanDerWaalsContact C-N 3.3Å; M411-T413 PolarHBondContact O-N 2.78Å; M411-I414 PolarHBondContact O-N 3.42Å; M411-E415 VanDerWaalsContact O-CB 3.29Å; M411-E415 WeakPolarHBondContact O-CB 3.16Å; M411-E415 PolarHBondContact O-N 2.89Å
412	S	44.6	Very low	42.7	Very low	31 Å²	31	90.5 Å²	90.5	22%	0.217	45%	0.454	C	S	.	.	H	α-helix	trans	-66.4	-35.4	174.2	82.6	0	0	0	0	112	T408 E409 K416	T408-S412 PolarHBondContact O-N 2.03Å; E409-S412 PolarHBondContact O-N 2.71Å; E409-S412 PolarHBondContact O-OG 3.34Å; S412-K416 WeakPolarHBondContact O-CB 3.46Å; S412-K416 WeakPolarHBondContact O-CG 3.42Å; S412-K416 PolarHBondContact O-N 3.28Å
413	T	43.2	Very low	42.9	Very low	65 Å²	65	88.9 Å²	88.9	40%	0.399	45%	0.45	S	S	.	.	H	α-helix	trans	-71.6	-42.5	177	-54.8	0	0	0	0	110.4	E409 T410 M411 K416 T417	E409-T413 PolarHBondContact O-N 3.31Å; E409-T413 PolarHBondContact O-OG1 3.3Å; T410-T413 PolarHBondContact O-N 2.99Å; M411-T413 VanDerWaalsContact C-N 3.3Å; M411-T413 PolarHBondContact O-N 2.78Å; T413-K416 PolarHBondContact O-N 3.25Å; T413-T417 WeakPolarHBondContact O-CB 3.43Å; T413-T417 PolarHBondContact O-N 3.44Å; T413-T417 PolarHBondContact O-OG1 2.97Å
414	I	42.1	Very low	43.1	Very low	13 Å²	13	82.6 Å²	82.6	7%	0.067	42%	0.424	C	S	.	.	H	α-helix	trans	-61.7	-45.5	173.6	-70.6	159.8	0	0	0	110.8	T410 M411 T417 M418 V460 N463 L464	T410-I414 HydrophobicContact CG2-CD1 4Å; T410-I414 WeakPolarHBondContact O-CB 3.42Å; T410-I414 WeakPolarHBondContact O-CD1 3.4Å; T410-I414 WeakPolarHBondContact O-CG1 3.31Å; T410-I414 PolarHBondContact O-N 3.17Å; M411-I414 PolarHBondContact O-N 3.42Å; I414-T417 PolarHBondContact O-N 3.14Å; I414-M418 HydrophobicContact CG2-CG 4.24Å; I414-M418 HydrophobicContact CG2-SD 3.8Å; I414-M418 VanDerWaalsContact O-CB 3.29Å; I414-M418 WeakPolarHBondContact O-CB 3.04Å; I414-M418 WeakPolarHBondContact O-CG 3.25Å; I414-M418 PolarHBondContact O-N 2.86Å; I414-V460 HydrophobicContact CG2-CG1 3.82Å; I414-N463 HydrophobicContact CD1-CB 4.43Å; I414-N463 HydrophobicContact CG1-CB 4.37Å; I414-L464 HydrophobicContact CD1-CD2 3.64Å; I414-L464 HydrophobicContact CD1-CG 3.89Å
415	E	44.6	Very low	43.4	Very low	98 Å²	98	81.4 Å²	81.4	46%	0.458	41%	0.412	S	S	.	.	H	α-helix	trans	-62.5	-44.8	178.5	-168.5	177.5	-161.6	0	0	111.5	K407 M411 T417 K419	K407-E415 IonicContact NZ-OE1 2.89Å; K407-E415 IonicContact NZ-OE2 3.1Å; K407-E415 PolarHBondContact NZ-OE2 3.4Å; M411-E415 VanDerWaalsContact O-CB 3.29Å; M411-E415 WeakPolarHBondContact O-CB 3.16Å; M411-E415 PolarHBondContact O-N 2.89Å; E415-T417 PolarHBondContact O-N 3.12Å; E415-K419 WeakPolarHBondContact O-CB 3.47Å; E415-K419 PolarHBondContact O-N 3.32Å
416	K	49.4	Very low	43.5	Very low	157 Å²	157	75.9 Å²	75.9	68%	0.683	38%	0.376	S	S	*	.	H	α-helix	trans	-62.9	-41.1	174.2	-77.9	177.6	-179.8	176.1	0	112.6	S412 T413 K420	S412-K416 WeakPolarHBondContact O-CB 3.46Å; S412-K416 WeakPolarHBondContact O-CG 3.42Å; S412-K416 PolarHBondContact O-N 3.28Å; T413-K416 PolarHBondContact O-N 3.25Å; K416-K420 WeakPolarHBondContact O-CB 3.02Å; K416-K420 PolarHBondContact O-N 2.94Å
417	T	45.6	Very low	43.4	Very low	35 Å²	35	72.5 Å²	72.5	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-71.6	-43.9	-177.1	-60.5	0	0	0	0	110.9	T413 I414 E415 K420 A421 V456 V460	T413-T417 WeakPolarHBondContact O-CB 3.43Å; T413-T417 PolarHBondContact O-N 3.44Å; T413-T417 PolarHBondContact O-OG1 2.97Å; I414-T417 PolarHBondContact O-N 3.14Å; E415-T417 PolarHBondContact O-N 3.12Å; T417-K420 PolarHBondContact O-N 3.49Å; T417-A421 PolarHBondContact O-N 3.13Å; T417-V456 HydrophobicContact CG2-CG1 3.51Å; T417-V456 WeakPolarHBondContact O-CG1 3.27Å; T417-V460 HydrophobicContact CG2-CG2 3.79Å
418	M	42.4	Very low	43.3	Very low	51 Å²	51	69.1 Å²	69.1	25%	0.251	35%	0.352	S	S	.	.	H	α-helix	trans	-62.1	-45.1	171.8	-77.4	179.9	131.6	0	0	111.5	F386 I414 K420 A421 V422 V460	F386-M418 HydrophobicContact CD2-CE 4.13Å; F386-M418 HydrophobicContact CD2-SD 4.49Å; F386-M418 HydrophobicContact CE2-CE 4.1Å; F386-M418 HydrophobicContact CE2-SD 3.93Å; I414-M418 HydrophobicContact CG2-CG 4.24Å; I414-M418 HydrophobicContact CG2-SD 3.8Å; I414-M418 VanDerWaalsContact O-CB 3.29Å; I414-M418 WeakPolarHBondContact O-CB 3.04Å; I414-M418 WeakPolarHBondContact O-CG 3.25Å; I414-M418 PolarHBondContact O-N 2.86Å; M418-K420 VanDerWaalsContact C-N 3.33Å; M418-K420 PolarHBondContact O-N 3.12Å; M418-A421 PolarHBondContact O-N 3.21Å; M418-V422 WeakPolarHBondContact O-CB 3.21Å; M418-V422 VanDerWaalsContact O-CG2 3.23Å; M418-V422 WeakPolarHBondContact O-CG2 3.31Å; M418-V422 PolarHBondContact O-N 2.8Å; M418-V460 HydrophobicContact CE-CG1 3.82Å; M418-V460 HydrophobicContact CG-CG1 4.05Å; M418-V460 HydrophobicContact CG-CG2 3.85Å; M418-V460 HydrophobicContact SD-CG1 4.14Å
419	K	46.7	Very low	42.6	Very low	141 Å²	141	69 Å²	69	61%	0.613	35%	0.35	S	S	*	.	H	α-helix	trans	-58.8	-45	176.4	-173	173.9	179.6	179.2	0	111.3	E415 A421 V422 D423	E415-K419 WeakPolarHBondContact O-CB 3.47Å; E415-K419 PolarHBondContact O-N 3.32Å; K419-A421 PolarHBondContact O-N 2.8Å; K419-V422 PolarHBondContact O-N 3.13Å; K419-D423 WeakPolarHBondContact O-CB 3.22Å; K419-D423 PolarHBondContact O-N 3.36Å
420	K	46.7	Very low	42.3	Very low	134 Å²	134	63.6 Å²	63.6	58%	0.583	33%	0.327	S	S	*	.	H	α-helix	trans	-63.2	-42	177.5	-168.6	179.2	178.5	-172.8	0	113	K416 T417 M418 Q424	K416-K420 WeakPolarHBondContact O-CB 3.02Å; K416-K420 PolarHBondContact O-N 2.94Å; T417-K420 PolarHBondContact O-N 3.49Å; M418-K420 VanDerWaalsContact C-N 3.33Å; M418-K420 PolarHBondContact O-N 3.12Å; K420-Q424 WeakPolarHBondContact O-CB 3.33Å; K420-Q424 VanDerWaalsContact O-CG 3.27Å; K420-Q424 WeakPolarHBondContact O-CG 3.34Å; K420-Q424 PolarHBondContact O-N 3.1Å
421	A	43.3	Very low	42.3	Very low	7 Å²	7	67 Å²	67	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-67.8	-38.6	174.5	0	0	0	0	0	112.8	T417 M418 K419 Q424 V425 L453 V456	T417-A421 PolarHBondContact O-N 3.13Å; M418-A421 PolarHBondContact O-N 3.21Å; K419-A421 PolarHBondContact O-N 2.8Å; A421-Q424 PolarHBondContact O-N 3.29Å; A421-V425 WeakPolarHBondContact O-CB 3.39Å; A421-V425 VanDerWaalsContact O-CG2 3.27Å; A421-V425 WeakPolarHBondContact O-CG2 3.36Å; A421-V425 PolarHBondContact O-N 2.77Å; A421-L453 HydrophobicContact CB-CD1 4.07Å; A421-V456 HydrophobicContact CB-CB 3.75Å; A421-V456 HydrophobicContact CB-CG1 3.21Å; A421-V456 HydrophobicContact CB-CG2 4.28Å
422	V	43	Very low	42.1	Very low	18 Å²	18	67.3 Å²	67.3	11%	0.109	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-44.2	175.7	165.4	0	0	0	0	110.4	F386 M418 K419 Q424 V425 S426	F386-V422 HydrophobicContact CB-CG2 4.37Å; F386-V422 HydrophobicContact CD1-CG2 3.6Å; F386-V422 HydrophobicContact CE1-CG2 4.17Å; F386-V422 HydrophobicContact CG-CG2 4.19Å; M418-V422 WeakPolarHBondContact O-CB 3.21Å; M418-V422 VanDerWaalsContact O-CG2 3.23Å; M418-V422 WeakPolarHBondContact O-CG2 3.31Å; M418-V422 PolarHBondContact O-N 2.8Å; K419-V422 PolarHBondContact O-N 3.13Å; V422-Q424 VanDerWaalsContact C-N 3.34Å; V422-Q424 PolarHBondContact O-N 2.76Å; V422-V425 PolarHBondContact O-N 3.28Å; V422-S426 WeakPolarHBondContact O-CB 3.34Å; V422-S426 PolarHBondContact O-N 2.92Å
423	D	45.6	Very low	41.4	Very low	75 Å²	75	71.4 Å²	71.4	40%	0.401	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-43.1	175.5	-66.8	-19.1	0	0	0	110.1	K419 S426 D427	K419-D423 WeakPolarHBondContact O-CB 3.22Å; K419-D423 PolarHBondContact O-N 3.36Å; D423-S426 PolarHBondContact O-N 3.04Å; D423-D427 WeakPolarHBondContact O-CB 3.31Å; D423-D427 PolarHBondContact O-N 2.94Å
424	Q	44.8	Very low	41.1	Very low	56 Å²	56	72.7 Å²	72.7	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-44	175.5	-75.9	174.9	-33.9	0	0	113	K420 A421 V422 D427 I428	K420-Q424 WeakPolarHBondContact O-CB 3.33Å; K420-Q424 VanDerWaalsContact O-CG 3.27Å; K420-Q424 WeakPolarHBondContact O-CG 3.34Å; K420-Q424 PolarHBondContact O-N 3.1Å; A421-Q424 PolarHBondContact O-N 3.29Å; V422-Q424 VanDerWaalsContact C-N 3.34Å; V422-Q424 PolarHBondContact O-N 2.76Å; Q424-D427 PolarHBondContact O-N 3.11Å; Q424-I428 VanDerWaalsContact O-CB 3.32Å; Q424-I428 WeakPolarHBondContact O-CB 2.93Å; Q424-I428 WeakPolarHBondContact O-CD1 3.4Å; Q424-I428 WeakPolarHBondContact O-CG1 3.35Å; Q424-I428 PolarHBondContact O-N 3Å
425	V	41	Very low	40.9	Very low	22 Å²	22	75.7 Å²	75.7	13%	0.133	40%	0.404	C	S	.	.	H	α-helix	trans	-66.2	-42.7	176.1	172.2	0	0	0	0	110.7	W385 A421 V422 D427 I428 V429 L453	W385-V425 HydrophobicContact CH2-CG1 4.2Å; W385-V425 HydrophobicContact CZ2-CG1 4.01Å; A421-V425 WeakPolarHBondContact O-CB 3.39Å; A421-V425 VanDerWaalsContact O-CG2 3.27Å; A421-V425 WeakPolarHBondContact O-CG2 3.36Å; A421-V425 PolarHBondContact O-N 2.77Å; V422-V425 PolarHBondContact O-N 3.28Å; V425-D427 VanDerWaalsContact C-N 3.33Å; V425-D427 PolarHBondContact O-N 2.76Å; V425-I428 PolarHBondContact O-N 3.43Å; V425-V429 HydrophobicContact CG1-CG2 3.81Å; V425-V429 WeakPolarHBondContact O-CA 3.48Å; V425-V429 WeakPolarHBondContact O-CB 3.04Å; V425-V429 WeakPolarHBondContact O-CG2 3.21Å; V425-V429 PolarHBondContact O-N 3.19Å; V425-L453 HydrophobicContact CG2-CD1 3.23Å; V425-L453 HydrophobicContact CG2-CD2 3.52Å; V425-L453 HydrophobicContact CG2-CG 3.89Å
426	S	39.2	Very low	40.6	Very low	24 Å²	24	75.7 Å²	75.7	17%	0.168	41%	0.41	C	S	.	.	H	α-helix	trans	-58.6	-46	174.5	179.7	0	0	0	0	110.4	V422 D423 I428 V429 L430	V422-S426 WeakPolarHBondContact O-CB 3.34Å; V422-S426 PolarHBondContact O-N 2.92Å; D423-S426 PolarHBondContact O-N 3.04Å; S426-I428 PolarHBondContact O-N 2.77Å; S426-V429 PolarHBondContact O-N 3.35Å; S426-L430 WeakPolarHBondContact O-CA 3.42Å; S426-L430 WeakPolarHBondContact O-CB 3.12Å; S426-L430 VanDerWaalsContact O-CG 3.31Å; S426-L430 WeakPolarHBondContact O-CG 3.45Å; S426-L430 PolarHBondContact O-N 3.06Å; S426-L430 WeakPolarHBondContact OG-CD1 3.26Å
427	D	39.8	Very low	40	Very low	92 Å²	92	72.7 Å²	72.7	49%	0.492	40%	0.401	S	S	.	.	I	π-helix	trans	-65.5	-38.4	179.3	-73.2	-15.7	0	0	0	112.9	D423 Q424 V425 Y431	D423-D427 WeakPolarHBondContact O-CB 3.31Å; D423-D427 PolarHBondContact O-N 2.94Å; Q424-D427 PolarHBondContact O-N 3.11Å; V425-D427 VanDerWaalsContact C-N 3.33Å; V425-D427 PolarHBondContact O-N 2.76Å; D427-Y431 PolarHBondContact O-N 2.79Å; D427-Y431 WeakPolarHBondContact OD1-CD2 3.2Å
428	I	39.5	Very low	39.5	Very low	76 Å²	76	78.6 Å²	78.6	39%	0.39	42%	0.419	S	S	.	.	I	π-helix	trans	-75.6	-39.9	179.3	-71.7	157.5	0	0	0	112.1	Q424 V425 S426 I449	Q424-I428 VanDerWaalsContact O-CB 3.32Å; Q424-I428 WeakPolarHBondContact O-CB 2.93Å; Q424-I428 WeakPolarHBondContact O-CD1 3.4Å; Q424-I428 WeakPolarHBondContact O-CG1 3.35Å; Q424-I428 PolarHBondContact O-N 3Å; V425-I428 PolarHBondContact O-N 3.43Å; S426-I428 PolarHBondContact O-N 2.77Å; I428-I449 HydrophobicContact CD1-CB 4.26Å; I428-I449 HydrophobicContact CD1-CD1 4.33Å; I428-I449 HydrophobicContact CD1-CG1 4.13Å; I428-I449 HydrophobicContact CD1-CG2 3.27Å; I428-I449 HydrophobicContact CG1-CD1 4.41Å; I428-I449 HydrophobicContact CG1-CG2 4.12Å; I428-I449 HydrophobicContact CG2-CG2 3.88Å
429	V	35.6	Very low	39.2	Very low	63 Å²	63	79.2 Å²	79.2	38%	0.382	43%	0.432	S	S	.	.	I	π-helix	trans	-84	-37	-175.4	172.8	0	0	0	0	111.6	I376 V425 S426	I376-V429 HydrophobicContact CD1-CG1 4.48Å; I376-V429 HydrophobicContact CG2-CG1 3.8Å; V425-V429 HydrophobicContact CG1-CG2 3.81Å; V425-V429 WeakPolarHBondContact O-CA 3.48Å; V425-V429 WeakPolarHBondContact O-CB 3.04Å; V425-V429 WeakPolarHBondContact O-CG2 3.21Å; V425-V429 PolarHBondContact O-N 3.19Å; S426-V429 PolarHBondContact O-N 3.35Å
430	L	34.6	Very low	38.6	Very low	50 Å²	50	75.6 Å²	75.6	26%	0.262	42%	0.422	S	S	.	.	I	π-helix	trans	-100	-38.5	-171.4	-55.4	177.8	0	0	0	113.5	I376 V381 S426	I376-L430 HydrophobicContact CG2-CD2 3.82Å; V381-L430 HydrophobicContact CB-CD1 3.95Å; V381-L430 HydrophobicContact CG2-CD1 3.63Å; V381-L430 HydrophobicContact CG2-CD2 3.92Å; V381-L430 HydrophobicContact CG2-CG 4.25Å; S426-L430 WeakPolarHBondContact O-CA 3.42Å; S426-L430 WeakPolarHBondContact O-CB 3.12Å; S426-L430 VanDerWaalsContact O-CG 3.31Å; S426-L430 WeakPolarHBondContact O-CG 3.45Å; S426-L430 PolarHBondContact O-N 3.06Å; S426-L430 WeakPolarHBondContact OG-CD1 3.26Å
431	Y	38.6	Very low	38	Very low	146 Å²	146	71.4 Å²	71.4	57%	0.573	41%	0.408	S	S	*	.	I	π-helix	trans	-92.9	-31.2	-168.9	-68.1	-60.5	0	0	0	114.8	D427 T433	D427-Y431 PolarHBondContact O-N 2.79Å; D427-Y431 WeakPolarHBondContact OD1-CD2 3.2Å; Y431-T433 WeakPolarHBondContact O-CA 3.41Å; Y431-T433 VanDerWaalsContact O-CB 3.28Å; Y431-T433 WeakPolarHBondContact O-CB 3.49Å; Y431-T433 WeakPolarHBondContact O-CG2 3.37Å; Y431-T433 PolarHBondContact O-N 3.02Å; Y431-T433 PolarHBondContact O-OG1 3.35Å
432	G	34.4	Very low	37.7	Very low	59 Å²	59	76.4 Å²	76.4	61%	0.608	43%	0.433	S	S	*	.			trans	49.7	12	165.1	0	0	0	0	0	117.6
433	T	30	Very low	37.3	Very low	118 Å²	118	81.4 Å²	81.4	72%	0.724	46%	0.464	S	S	*	.			trans	-129.4	78.1	-165.2	55.1	0	0	0	0	109.6	Y431	Y431-T433 WeakPolarHBondContact O-CA 3.41Å; Y431-T433 VanDerWaalsContact O-CB 3.28Å; Y431-T433 WeakPolarHBondContact O-CB 3.49Å; Y431-T433 WeakPolarHBondContact O-CG2 3.37Å; Y431-T433 PolarHBondContact O-N 3.02Å; Y431-T433 PolarHBondContact O-OG1 3.35Å
434	D	37	Very low	36.8	Very low	92 Å²	92	83 Å²	83	49%	0.492	47%	0.472	S	S	.	.			trans	-144.6	127	137.3	-153.9	-14.3	0	0	0	109.2	V436 L437 R438	D434-V436 PolarHBondContact O-N 3.41Å; D434-V436 PolarHBondContact OD1-N 2.79Å; D434-L437 HydrophobicContact CB-CB 4.16Å; D434-L437 PolarHBondContact O-N 2.77Å; D434-R438 PolarHBondContact O-N 2.96Å
435	A	38	Very low	36	Very low	75 Å²	75	82.1 Å²	82.1	62%	0.62	48%	0.478	S	S	*	.	H	α-helix	trans	-62.5	-22.9	177.1	0	0	0	0	0	111.1
436	V	38.1	Very low	35.8	Very low	98 Å²	98	86.1 Å²	86.1	59%	0.594	51%	0.505	S	S	*	.	H	α-helix	trans	-74.6	-31.7	174	-176.1	0	0	0	0	111.8	D434 T440	D434-V436 PolarHBondContact O-N 3.41Å; D434-V436 PolarHBondContact OD1-N 2.79Å; V436-T440 WeakPolarHBondContact O-CB 3.24Å; V436-T440 PolarHBondContact O-N 3.14Å; V436-T440 PolarHBondContact O-OG1 3.25Å
437	L	36.3	Very low	35.5	Very low	94 Å²	94	91.3 Å²	91.3	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-75.6	-29.7	176.9	-144	89.2	0	0	0	112	D434 T440 V441	D434-L437 HydrophobicContact CB-CB 4.16Å; D434-L437 PolarHBondContact O-N 2.77Å; L437-T440 CarbonylContact O-C 3.6Å; L437-T440 PolarHBondContact O-N 2.91Å; L437-V441 HydrophobicContact CD2-CG2 4.02Å; L437-V441 HydrophobicContact CG-CG2 3.95Å; L437-V441 WeakPolarHBondContact O-CB 3.49Å; L437-V441 WeakPolarHBondContact O-CG2 3.25Å; L437-V441 PolarHBondContact O-N 2.87Å
438	R	34.8	Very low	35.4	Very low	160 Å²	160	90 Å²	90	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-63.6	-43.7	176.5	-103	179.9	-86.5	179.2	-7.5	112.7	D434 T440 D442	D434-R438 PolarHBondContact O-N 2.96Å; R438-T440 VanDerWaalsContact C-N 3.3Å; R438-T440 PolarHBondContact O-N 3.4Å; R438-D442 VanDerWaalsContact O-CB 3.28Å; R438-D442 WeakPolarHBondContact O-CB 3.21Å; R438-D442 PolarHBondContact O-N 3.17Å
439	A	35.6	Very low	35.3	Very low	63 Å²	63	89.2 Å²	89.2	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-34	173.2	0	0	0	0	0	111.9	V443	A439-V443 VanDerWaalsContact O-CB 3.26Å; A439-V443 WeakPolarHBondContact O-CB 3.18Å; A439-V443 WeakPolarHBondContact O-CG2 3.32Å; A439-V443 PolarHBondContact O-N 3.16Å; A439-V443 VanDerWaalsContact O-N 3.16Å
440	T	33.9	Very low	35.6	Very low	65 Å²	65	89.1 Å²	89.1	40%	0.399	52%	0.524	S	S	.	.	H	α-helix	trans	-79.5	-31.2	-178.9	-50	0	0	0	0	112.5	V436 L437 R438 L444	V436-T440 WeakPolarHBondContact O-CB 3.24Å; V436-T440 PolarHBondContact O-N 3.14Å; V436-T440 PolarHBondContact O-OG1 3.25Å; L437-T440 CarbonylContact O-C 3.6Å; L437-T440 PolarHBondContact O-N 2.91Å; R438-T440 VanDerWaalsContact C-N 3.3Å; R438-T440 PolarHBondContact O-N 3.4Å; T440-L444 HydrophobicContact CG2-CD1 3.74Å; T440-L444 WeakPolarHBondContact O-CA 3.33Å; T440-L444 WeakPolarHBondContact O-CB 3.13Å; T440-L444 PolarHBondContact O-N 2.9Å
441	V	35.9	Very low	35.7	Very low	46 Å²	46	89.3 Å²	89.3	28%	0.279	53%	0.529	S	S	.	.	H	α-helix	trans	-84.6	-28.3	177.5	170.5	0	0	0	0	112	L437 L444 G445 I449	L437-V441 HydrophobicContact CD2-CG2 4.02Å; L437-V441 HydrophobicContact CG-CG2 3.95Å; L437-V441 WeakPolarHBondContact O-CB 3.49Å; L437-V441 WeakPolarHBondContact O-CG2 3.25Å; L437-V441 PolarHBondContact O-N 2.87Å; V441-L444 CarbonylContact O-C 3.57Å; V441-G445 VanDerWaalsContact O-CA 3.25Å; V441-G445 WeakPolarHBondContact O-CA 3.49Å; V441-G445 PolarHBondContact O-N 3.21Å; V441-I449 HydrophobicContact CG2-CD1 4.03Å
442	D	36.1	Very low	35.8	Very low	112 Å²	112	86.9 Å²	86.9	60%	0.599	52%	0.523	S	S	*	.	H	α-helix	trans	-78.2	-22.3	170	-73	-27.9	0	0	0	112.1	R438	R438-D442 VanDerWaalsContact O-CB 3.28Å; R438-D442 WeakPolarHBondContact O-CB 3.21Å; R438-D442 PolarHBondContact O-N 3.17Å
443	V	33.9	Very low	36.3	Very low	124 Å²	124	85.9 Å²	85.9	75%	0.752	50%	0.504	S	S	*	.	H	α-helix	trans	-93	-32.1	173	174	0	0	0	0	113	A439	A439-V443 VanDerWaalsContact O-CB 3.26Å; A439-V443 WeakPolarHBondContact O-CB 3.18Å; A439-V443 WeakPolarHBondContact O-CG2 3.32Å; A439-V443 PolarHBondContact O-N 3.16Å; A439-V443 VanDerWaalsContact O-N 3.16Å
444	L	34.8	Very low	36.9	Very low	109 Å²	109	82.6 Å²	82.6	57%	0.571	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	46.6	171.2	-63.4	166.3	0	0	0	111	T440 V441 C446	T440-L444 HydrophobicContact CG2-CD1 3.74Å; T440-L444 WeakPolarHBondContact O-CA 3.33Å; T440-L444 WeakPolarHBondContact O-CB 3.13Å; T440-L444 PolarHBondContact O-N 2.9Å; V441-L444 CarbonylContact O-C 3.57Å; L444-C446 PolarHBondContact O-N 3.02Å; L444-C446 VanDerWaalsContact O-N 3.11Å
445	G	28.7	Very low	37.1	Very low	37 Å²	37	81.8 Å²	81.8	38%	0.381	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-35.9	110.3	-174.8	0	0	0	0	0	114.8	V441 L447	V441-G445 VanDerWaalsContact O-CA 3.25Å; V441-G445 WeakPolarHBondContact O-CA 3.49Å; V441-G445 PolarHBondContact O-N 3.21Å; G445-L447 PolarHBondContact O-N 2.77Å
446	C	36.8	Very low	37.3	Very low	105 Å²	105	79.2 Å²	79.2	71%	0.709	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	0.4	158.1	-65.2	0	0	0	0	119.4	L444	L444-C446 PolarHBondContact O-N 3.02Å; L444-C446 VanDerWaalsContact O-N 3.11Å
447	L	33.7	Very low	37.6	Very low	133 Å²	133	77 Å²	77	70%	0.696	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-36.1	-174.6	-79.3	160.8	0	0	0	114.2	G445 S451	G445-L447 PolarHBondContact O-N 2.77Å; L447-S451 VanDerWaalsContact O-CB 3.28Å; L447-S451 WeakPolarHBondContact O-CB 3.41Å; L447-S451 PolarHBondContact O-N 2.9Å; L447-S451 PolarHBondContact O-OG 2.75Å
448	S	37.9	Very low	38	Very low	65 Å²	65	76.1 Å²	76.1	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-76.5	-35.2	-171.5	165	0	0	0	0	114.4	S451 E452	S448-S451 PolarHBondContact O-OG 2.85Å; S448-S451 VanDerWaalsContact O-OG 3.14Å; S448-E452 WeakPolarHBondContact O-CG 3.26Å; S448-E452 PolarHBondContact O-N 3.12Å
449	I	37	Very low	38.3	Very low	59 Å²	59	71.3 Å²	71.3	30%	0.303	43%	0.428	S	S	.	.	H	α-helix	trans	-78.6	-39.1	-176.4	-71.7	170.5	0	0	0	111.7	I428 V441 L453	I428-I449 HydrophobicContact CD1-CB 4.26Å; I428-I449 HydrophobicContact CD1-CD1 4.33Å; I428-I449 HydrophobicContact CD1-CG1 4.13Å; I428-I449 HydrophobicContact CD1-CG2 3.27Å; I428-I449 HydrophobicContact CG1-CD1 4.41Å; I428-I449 HydrophobicContact CG1-CG2 4.12Å; I428-I449 HydrophobicContact CG2-CG2 3.88Å; V441-I449 HydrophobicContact CG2-CD1 4.03Å; I449-L453 PolarHBondContact O-N 2.94Å
450	V	40.6	Very low	38.5	Very low	61 Å²	61	68.6 Å²	68.6	37%	0.37	41%	0.405	S	S	.	.	H	α-helix	trans	-70.1	-36.6	173.3	179.7	0	0	0	0	109.6	L454	V450-L454 HydrophobicContact CG1-CD1 3.61Å; V450-L454 HydrophobicContact CG1-CG 4.12Å; V450-L454 WeakPolarHBondContact O-CB 3.36Å; V450-L454 WeakPolarHBondContact O-CD1 3.48Å; V450-L454 WeakPolarHBondContact O-CG 3.23Å; V450-L454 PolarHBondContact O-N 3.5Å
451	S	37.8	Very low	38.8	Very low	54 Å²	54	67.6 Å²	67.6	38%	0.378	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-47.5	174.5	84.9	0	0	0	0	111.9	L447 S448 L453 L454 T455	L447-S451 VanDerWaalsContact O-CB 3.28Å; L447-S451 WeakPolarHBondContact O-CB 3.41Å; L447-S451 PolarHBondContact O-N 2.9Å; L447-S451 PolarHBondContact O-OG 2.75Å; S448-S451 PolarHBondContact O-OG 2.85Å; S448-S451 VanDerWaalsContact O-OG 3.14Å; S451-L453 PolarHBondContact O-N 3.35Å; S451-L454 CarbonylContact O-C 3.56Å; S451-L454 PolarHBondContact O-N 2.83Å; S451-T455 PolarHBondContact O-N 3.18Å; S451-T455 PolarHBondContact O-OG1 2.82Å
452	E	40.7	Very low	39.1	Very low	96 Å²	96	68.8 Å²	68.8	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-58.9	-45.5	178.1	-77	-78.2	143.1	0	0	112.5	S448 L454 T455 V456	S448-E452 WeakPolarHBondContact O-CG 3.26Å; S448-E452 PolarHBondContact O-N 3.12Å; E452-L454 PolarHBondContact O-N 2.84Å; E452-T455 PolarHBondContact O-N 3.48Å; E452-V456 VanDerWaalsContact O-CG2 3.32Å; E452-V456 WeakPolarHBondContact O-CG2 3.31Å; E452-V456 PolarHBondContact O-N 3.08Å
453	L	43.7	Very low	39.4	Very low	37 Å²	37	67 Å²	67	19%	0.194	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-43.3	175.4	-178.9	58.4	0	0	0	112	A421 V425 I449 S451 V456 I457	A421-L453 HydrophobicContact CB-CD1 4.07Å; V425-L453 HydrophobicContact CG2-CD1 3.23Å; V425-L453 HydrophobicContact CG2-CD2 3.52Å; V425-L453 HydrophobicContact CG2-CG 3.89Å; I449-L453 PolarHBondContact O-N 2.94Å; S451-L453 PolarHBondContact O-N 3.35Å; L453-V456 PolarHBondContact O-N 2.98Å; L453-I457 HydrophobicContact CD1-CD1 3.84Å; L453-I457 HydrophobicContact CD1-CG1 4.2Å; L453-I457 HydrophobicContact CD2-CD1 4.42Å; L453-I457 HydrophobicContact CG-CD1 3.79Å; L453-I457 HydrophobicContact CG-CG1 4.5Å; L453-I457 WeakPolarHBondContact O-CB 3.38Å; L453-I457 VanDerWaalsContact O-CG1 3.29Å; L453-I457 WeakPolarHBondContact O-CG1 3.35Å; L453-I457 PolarHBondContact O-N 3.28Å
454	L	43.2	Very low	39.4	Very low	49 Å²	49	64.2 Å²	64.2	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-41.6	175.8	-75.3	169.2	0	0	0	111.5	L326 V450 S451 E452 V456 I457 V458	L326-L454 HydrophobicContact CD2-CD2 3.99Å; V450-L454 HydrophobicContact CG1-CD1 3.61Å; V450-L454 HydrophobicContact CG1-CG 4.12Å; V450-L454 WeakPolarHBondContact O-CB 3.36Å; V450-L454 WeakPolarHBondContact O-CD1 3.48Å; V450-L454 WeakPolarHBondContact O-CG 3.23Å; V450-L454 PolarHBondContact O-N 3.5Å; S451-L454 CarbonylContact O-C 3.56Å; S451-L454 PolarHBondContact O-N 2.83Å; E452-L454 PolarHBondContact O-N 2.84Å; L454-V456 PolarHBondContact O-N 3.31Å; L454-I457 PolarHBondContact O-N 3.35Å; L454-V458 WeakPolarHBondContact O-CB 3.42Å; L454-V458 WeakPolarHBondContact O-CG2 3.45Å; L454-V458 PolarHBondContact O-N 3.13Å
455	T	41.4	Very low	39.5	Very low	76 Å²	76	63.9 Å²	63.9	47%	0.466	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-41.3	177.4	-37	0	0	0	0	109.6	S451 E452 T459	S451-T455 PolarHBondContact O-N 3.18Å; S451-T455 PolarHBondContact O-OG1 2.82Å; E452-T455 PolarHBondContact O-N 3.48Å; T455-T459 WeakPolarHBondContact O-CB 3.37Å; T455-T459 PolarHBondContact O-N 3.18Å; T455-T459 PolarHBondContact O-OG1 3.34Å
456	V	42.1	Very low	39.8	Very low	20 Å²	20	67 Å²	67	12%	0.121	38%	0.38	C	S	.	.	H	α-helix	trans	-71.2	-46.3	179.9	176.7	0	0	0	0	111.9	T417 A421 E452 L453 L454 T459 V460	T417-V456 HydrophobicContact CG2-CG1 3.51Å; T417-V456 WeakPolarHBondContact O-CG1 3.27Å; A421-V456 HydrophobicContact CB-CB 3.75Å; A421-V456 HydrophobicContact CB-CG1 3.21Å; A421-V456 HydrophobicContact CB-CG2 4.28Å; E452-V456 VanDerWaalsContact O-CG2 3.32Å; E452-V456 WeakPolarHBondContact O-CG2 3.31Å; E452-V456 PolarHBondContact O-N 3.08Å; L453-V456 PolarHBondContact O-N 2.98Å; L454-V456 PolarHBondContact O-N 3.31Å; V456-T459 PolarHBondContact O-N 2.93Å; V456-V460 VanDerWaalsContact O-CG2 3.26Å; V456-V460 WeakPolarHBondContact O-CG2 3.2Å; V456-V460 PolarHBondContact O-N 3.33Å
457	I	45.3	Very low	39.7	Very low	51 Å²	51	72 Å²	72	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-61.6	-46.1	176.4	-69.4	171.2	0	0	0	110.7	L453 L454 V460 I461	L453-I457 HydrophobicContact CD1-CD1 3.84Å; L453-I457 HydrophobicContact CD1-CG1 4.2Å; L453-I457 HydrophobicContact CD2-CD1 4.42Å; L453-I457 HydrophobicContact CG-CD1 3.79Å; L453-I457 HydrophobicContact CG-CG1 4.5Å; L453-I457 WeakPolarHBondContact O-CB 3.38Å; L453-I457 VanDerWaalsContact O-CG1 3.29Å; L453-I457 WeakPolarHBondContact O-CG1 3.35Å; L453-I457 PolarHBondContact O-N 3.28Å; L454-I457 PolarHBondContact O-N 3.35Å; I457-V460 PolarHBondContact O-N 3.45Å; I457-I461 HydrophobicContact CG2-CD1 3.59Å; I457-I461 HydrophobicContact CG2-CG1 4.44Å; I457-I461 WeakPolarHBondContact O-CD1 3.29Å; I457-I461 VanDerWaalsContact O-CG1 3.23Å; I457-I461 WeakPolarHBondContact O-CG1 3.42Å; I457-I461 PolarHBondContact O-N 3.27Å
458	V	44.1	Very low	39.9	Very low	77 Å²	77	69.7 Å²	69.7	47%	0.467	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-43.3	176	170.7	0	0	0	0	111	L454 V460 I461 V462	L454-V458 WeakPolarHBondContact O-CB 3.42Å; L454-V458 WeakPolarHBondContact O-CG2 3.45Å; L454-V458 PolarHBondContact O-N 3.13Å; V458-V460 VanDerWaalsContact C-N 3.3Å; V458-V460 PolarHBondContact O-N 3.48Å; V458-I461 PolarHBondContact O-N 2.98Å; V458-V462 HydrophobicContact CG1-CG2 4.06Å; V458-V462 WeakPolarHBondContact O-CB 3.47Å; V458-V462 VanDerWaalsContact O-CG2 3.24Å; V458-V462 WeakPolarHBondContact O-CG2 3.4Å; V458-V462 PolarHBondContact O-N 2.76Å
459	T	41.3	Very low	39.9	Very low	58 Å²	58	73.1 Å²	73.1	36%	0.356	40%	0.398	S	S	.	.	H	α-helix	trans	-62.1	-39.6	176.9	-61.3	0	0	0	0	111.1	T455 V456 N463	T455-T459 WeakPolarHBondContact O-CB 3.37Å; T455-T459 PolarHBondContact O-N 3.18Å; T455-T459 PolarHBondContact O-OG1 3.34Å; V456-T459 PolarHBondContact O-N 2.93Å; T459-N463 WeakPolarHBondContact CG2-ND2 3.4Å; T459-N463 VanDerWaalsContact O-CB 3.26Å; T459-N463 WeakPolarHBondContact O-CB 3.33Å; T459-N463 VanDerWaalsContact O-CG 3.23Å; T459-N463 PolarHBondContact O-N 3.29Å; T459-N463 PolarHBondContact O-ND2 3.5Å; T459-N463 VanDerWaalsContact O-ND2 3.07Å
460	V	39.9	Very low	40	Very low	6 Å²	6	73.7 Å²	73.7	4%	0.036	42%	0.418	C	S	.	.	H	α-helix	trans	-66.8	-44.1	175.4	171.8	0	0	0	0	111.1	I414 T417 M418 V456 I457 V458 N463 L464	I414-V460 HydrophobicContact CG2-CG1 3.82Å; T417-V460 HydrophobicContact CG2-CG2 3.79Å; M418-V460 HydrophobicContact CE-CG1 3.82Å; M418-V460 HydrophobicContact CG-CG1 4.05Å; M418-V460 HydrophobicContact CG-CG2 3.85Å; M418-V460 HydrophobicContact SD-CG1 4.14Å; V456-V460 VanDerWaalsContact O-CG2 3.26Å; V456-V460 WeakPolarHBondContact O-CG2 3.2Å; V456-V460 PolarHBondContact O-N 3.33Å; I457-V460 PolarHBondContact O-N 3.45Å; V458-V460 VanDerWaalsContact C-N 3.3Å; V458-V460 PolarHBondContact O-N 3.48Å; V460-N463 PolarHBondContact O-N 3.5Å; V460-L464 HydrophobicContact CG1-CD1 3.56Å; V460-L464 HydrophobicContact CG1-CG 4.23Å; V460-L464 VanDerWaalsContact O-CB 3.29Å; V460-L464 WeakPolarHBondContact O-CB 3.39Å; V460-L464 WeakPolarHBondContact O-CD1 3.47Å; V460-L464 WeakPolarHBondContact O-CG 3.38Å; V460-L464 PolarHBondContact O-N 3.2Å
461	I	39	Very low	39.8	Very low	45 Å²	45	80.7 Å²	80.7	23%	0.231	44%	0.444	C	S	.	.	H	α-helix	trans	-63.7	-46.5	177.8	-67.8	160.6	0	0	0	111.4	F327 I457 V458 N463 L464 Y465	F327-I461 HydrophobicContact CD2-CD1 3.54Å; F327-I461 HydrophobicContact CE2-CD1 3.62Å; F327-I461 HydrophobicContact CE2-CG1 4.24Å; I457-I461 HydrophobicContact CG2-CD1 3.59Å; I457-I461 HydrophobicContact CG2-CG1 4.44Å; I457-I461 WeakPolarHBondContact O-CD1 3.29Å; I457-I461 VanDerWaalsContact O-CG1 3.23Å; I457-I461 WeakPolarHBondContact O-CG1 3.42Å; I457-I461 PolarHBondContact O-N 3.27Å; V458-I461 PolarHBondContact O-N 2.98Å; I461-N463 VanDerWaalsContact C-N 3.33Å; I461-N463 PolarHBondContact O-N 3.41Å; I461-L464 PolarHBondContact O-N 3.45Å; I461-Y465 PolarHBondContact O-N 3.03Å
462	V	42.4	Very low	39.8	Very low	71 Å²	71	82.9 Å²	82.9	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-63.8	-37.2	178.6	170.8	0	0	0	0	111.5	V458 Y465 P466	V458-V462 HydrophobicContact CG1-CG2 4.06Å; V458-V462 WeakPolarHBondContact O-CB 3.47Å; V458-V462 VanDerWaalsContact O-CG2 3.24Å; V458-V462 WeakPolarHBondContact O-CG2 3.4Å; V458-V462 PolarHBondContact O-N 2.76Å; V462-Y465 CarbonylContact O-C 3.32Å; V462-Y465 VanDerWaalsContact O-C 3.24Å; V462-P466 WeakPolarHBondContact O-CA 3.44Å
463	N	42.2	Very low	39.7	Very low	74 Å²	74	81.4 Å²	81.4	40%	0.396	48%	0.475	S	S	.	.	H	α-helix	trans	-76.4	-29.4	176.3	-75.1	-31.9	0	0	0	113.3	I414 T459 V460 I461	I414-N463 HydrophobicContact CD1-CB 4.43Å; I414-N463 HydrophobicContact CG1-CB 4.37Å; T459-N463 WeakPolarHBondContact CG2-ND2 3.4Å; T459-N463 VanDerWaalsContact O-CB 3.26Å; T459-N463 WeakPolarHBondContact O-CB 3.33Å; T459-N463 VanDerWaalsContact O-CG 3.23Å; T459-N463 PolarHBondContact O-N 3.29Å; T459-N463 PolarHBondContact O-ND2 3.5Å; T459-N463 VanDerWaalsContact O-ND2 3.07Å; V460-N463 PolarHBondContact O-N 3.5Å; I461-N463 VanDerWaalsContact C-N 3.33Å; I461-N463 PolarHBondContact O-N 3.41Å
464	L	35	Very low	39.4	Very low	65 Å²	65	85.3 Å²	85.3	34%	0.34	50%	0.503	S	S	.	.	H	α-helix	trans	-74.6	-31.8	174.4	-76.8	168.6	0	0	0	112.2	I414 V460 I461	I414-L464 HydrophobicContact CD1-CD2 3.64Å; I414-L464 HydrophobicContact CD1-CG 3.89Å; V460-L464 HydrophobicContact CG1-CD1 3.56Å; V460-L464 HydrophobicContact CG1-CG 4.23Å; V460-L464 VanDerWaalsContact O-CB 3.29Å; V460-L464 WeakPolarHBondContact O-CB 3.39Å; V460-L464 WeakPolarHBondContact O-CD1 3.47Å; V460-L464 WeakPolarHBondContact O-CG 3.38Å; V460-L464 PolarHBondContact O-N 3.2Å; I461-L464 PolarHBondContact O-N 3.45Å
465	Y	36.9	Very low	39.3	Very low	103 Å²	103	89.1 Å²	89.1	40%	0.404	53%	0.531	S	S	.	.	S	Bend	trans	-135.1	78	-178.6	-57.7	-79	0	0	0	109.4	P332 I461 V462 R467	P332-Y465 HydrophobicContact CG-CE1 4.18Å; I461-Y465 PolarHBondContact O-N 3.03Å; V462-Y465 CarbonylContact O-C 3.32Å; V462-Y465 VanDerWaalsContact O-C 3.24Å; Y465-R467 PolarHBondContact O-N 2.89Å
466	P	34.7	Very low	39.2	Very low	101 Å²	101	88.6 Å²	88.6	66%	0.656	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-56.4	118.5	175.1	21.6	-30.6	0	0	0	108.1	V462	V462-P466 WeakPolarHBondContact O-CA 3.44Å
467	R	34.9	Very low	39.3	Very low	211 Å²	211	93.4 Å²	93.4	80%	0.796	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-53.7	135.3	172.2	-74.1	-174.4	-178.2	-177.7	0.2	107.3	Y465	Y465-R467 PolarHBondContact O-N 2.89Å
468	P	37.4	Very low	39.4	Very low	85 Å²	85	97.2 Å²	97.2	55%	0.552	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-52.2	143.1	161.5	-14.1	26	0	0	0	107.5	G470	P468-G470 PolarHBondContact O-N 3.24Å
469	P	37.2	Very low	39.5	Very low	137 Å²	137	96.5 Å²	96.5	89%	0.89	61%	0.608	S	S	*	*			trans	-53.2	104.4	177.9	19.5	-30.2	0	0	0	109.5
470	G	39.1	Very low	39.9	Very low	71 Å²	71	100 Å²	100	73%	0.732	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-75.1	128.3	-177.7	0	0	0	0	0	109.3	P468 A472	P468-G470 PolarHBondContact O-N 3.24Å; G470-A472 PolarHBondContact O-N 3.15Å
471	K	37.5	Very low	40.4	Very low	208 Å²	208	104.8 Å²	104.8	90%	0.904	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-56	125	160.1	-68.7	-178.6	177.6	-178.8	0	107.3	G473	K471-G473 PolarHBondContact O-N 2.91Å; K471-G473 VanDerWaalsContact O-N 3.13Å
472	A	37.2	Very low	41	Very low	99 Å²	99	105.5 Å²	105.5	82%	0.818	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-52.1	119.4	168.6	0	0	0	0	0	108.5	G470	G470-A472 PolarHBondContact O-N 3.15Å
473	G	38.2	Very low	41.6	Very low	65 Å²	65	108 Å²	108	67%	0.67	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-59.7	144.5	168.3	0	0	0	0	0	109.4	K471	K471-G473 PolarHBondContact O-N 2.91Å; K471-G473 VanDerWaalsContact O-N 3.13Å
474	P	37.5	Very low	42.4	Very low	120 Å²	120	110.7 Å²	110.7	78%	0.779	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-65.7	153.8	-178	26.6	-29.9	0	0	0	110.9	G476	P474-G476 PolarHBondContact O-N 2.95Å
475	P	42.6	Very low	43.2	Very low	129 Å²	129	110.8 Å²	110.8	84%	0.838	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-61.5	136	177	-8.7	22.5	0	0	0	109.5
476	G	39.2	Very low	44.1	Very low	64 Å²	64	111.7 Å²	111.7	66%	0.66	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-55.7	149.8	173.1	0	0	0	0	0	111.7	P474	P474-G476 PolarHBondContact O-N 2.95Å
477	P	43	Very low	44.6	Very low	121 Å²	121	113.5 Å²	113.5	79%	0.786	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-61.8	148.5	-175.8	25.4	-32.7	0	0	0	111.3	G479	P477-G479 PolarHBondContact O-N 3.28Å
478	P	49	Very low	44.9	Very low	131 Å²	131	106.6 Å²	106.6	85%	0.851	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.2	126.7	176.8	-8	21.9	0	0	0	109.5
479	G	46.1	Very low	45.1	Very low	62 Å²	62	108.3 Å²	108.3	64%	0.639	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-60.3	149.5	168.8	0	0	0	0	0	111	P477 A481	P477-G479 PolarHBondContact O-N 3.28Å; G479-A481 PolarHBondContact O-N 2.85Å
480	P	49.1	Very low	45.2	Very low	133 Å²	133	107.1 Å²	107.1	86%	0.864	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.1	133.2	-175.1	25.7	-32.6	0	0	0	110.7	G482	P480-G482 PolarHBondContact O-N 2.65Å; P480-G482 VanDerWaalsContact O-N 3.11Å
481	A	50.5	Low	45.2	Very low	105 Å²	105	113.5 Å²	113.5	87%	0.868	79%	0.785	S	S	*	*			trans	-61.2	112.5	175.4	0	0	0	0	0	110	G479	G479-A481 PolarHBondContact O-N 2.85Å
482	G	50.4	Low	45.4	Very low	61 Å²	61	113.9 Å²	113.9	63%	0.629	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-66.2	148.9	167.4	0	0	0	0	0	110.8	P480	P480-G482 PolarHBondContact O-N 2.65Å; P480-G482 VanDerWaalsContact O-N 3.11Å
483	P	55.7	Low	45.5	Very low	122 Å²	122	115.3 Å²	115.3	79%	0.792	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.5	149.1	-177.4	27.1	-32.9	0	0	0	111.4	G485	P483-G485 PolarHBondContact O-N 3.48Å
484	P	59.7	Low	45.6	Very low	132 Å²	132	121.5 Å²	121.5	86%	0.857	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.7	118.3	-179.2	26.3	-31	0	0	0	110.5
485	G	52.5	Low	45.2	Very low	66 Å²	66	126.7 Å²	126.7	68%	0.68	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72	146	166.8	0	0	0	0	0	111.1	P483	P483-G485 PolarHBondContact O-N 3.48Å
486	P	54.1	Low	45.1	Very low	123 Å²	123	129 Å²	129	80%	0.799	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.5	152	-172.6	28.5	-33.9	0	0	0	112.8
487	P	46.5	Very low	45.4	Very low	139 Å²	139	132.3 Å²	132.3	90%	0.903	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78	127.7	-178.1	31.2	-31.1	0	0	0	111
488	G	41.4	Very low	45.6	Very low	66 Å²	66	132.8 Å²	132.8	68%	0.68	81%	0.81	S	S	*	*			trans	-127.3	153.6	172.9	0	0	0	0	0	111.1
489	P	40.3	Very low	45.4	Very low	121 Å²	121	132.9 Å²	132.9	79%	0.786	81%	0.808	S	S	*	*			trans	-90.1	154.8	-131.3	-4.1	21.5	0	0	0	114.9
490	S	39	Very low	45.3	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	82%	0.818	S	S	*	*			trans	-52.7	129	165.5	55.8	0	0	0	0	112.6
491	F	40.8	Very low	45.1	Very low	206 Å²	206	137.4 Å²	137.4	90%	0.904	82%	0.815	S	S	*	*			trans	-123.9	109.9	151.5	-98.7	-87.1	0	0	0	109.2
492	R	40.5	Very low	44.7	Very low	216 Å²	216	139.5 Å²	139.5	82%	0.815	81%	0.812	S	S	*	*			trans	-79	156.6	162.4	-105.7	-172.5	-171.7	-169.9	2.2	108.8
493	D	40.1	Very low	44.3	Very low	129 Å²	129	145.1 Å²	145.1	69%	0.69	83%	0.825	S	S	*	*			trans	96.4	114.9	147.9	-63.2	-15.5	0	0	0	119.8
494	K	40.1	Very low	43.5	Very low	194 Å²	194	146.9 Å²	146.9	84%	0.843	83%	0.827	S	S	*	*			trans	103.6	103.2	137.3	-71.7	168.5	-174.5	-174.1	0	118.7
495	W	28	Very low	42.1	Very low	230 Å²	230	148.2 Å²	148.2	87%	0.871	83%	0.825	S	S	*	*			trans	-55.4	168.1	153.8	-84.6	56.2	0	0	0	112.9
496	P	42	Very low	41.2	Very low	177 Å²	177	155.6 Å²	155.6	100%	1.149	84%	0.838	S	S	*	*				-108.3	0	89.1	33.3	-36.4	0	0	0	115

Retrieved 496 of 496 residues in 849 ms (Link to these results)

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