A0A087XM56_POEFO Loading...

FAD-dependent oxidoreductase domain containing 2

AlphaFold DB , UniProt , Accession A0A087XM56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 630 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	52.9	Low	57.2	Low	223 Å²	223	140.9 Å²	140.9	100%	1.099	69%	0.694	S	S	*	*				0	-19.1	0	-87.2	178.6	-73	0	0	113.5
2	E	53.6	Low	57.1	Low	171 Å²	171	134.7 Å²	134.7	80%	0.799	67%	0.67	S	S	*	*	H	α-helix	trans	-79.1	-28.7	-176	-65	-174.2	154.1	0	0	115.4	N4 L5 L6	E2-N4 VanDerWaalsContact C-N 3.35Å; E2-N4 PolarHBondContact O-N 3.02Å; E2-L5 PolarHBondContact O-N 3.46Å; E2-L6 PolarHBondContact O-N 3.23Å
3	A	52.9	Low	56.7	Low	73 Å²	73	132.3 Å²	132.3	60%	0.603	66%	0.661	S	S	*	*	H	α-helix	trans	-71	-25.9	-178	0	0	0	0	0	114.3
4	N	56.7	Low	56.5	Low	123 Å²	123	128.5 Å²	128.5	66%	0.658	65%	0.648	S	S	*	*	H	α-helix	trans	-82.7	-29	179.5	-76.9	-16.8	0	0	0	112.4	E2 F8	E2-N4 VanDerWaalsContact C-N 3.35Å; E2-N4 PolarHBondContact O-N 3.02Å; N4-F8 PolarHBondContact O-N 3.12Å; N4-F8 VanDerWaalsContact O-N 3.09Å
5	L	60.9	Low	55.9	Low	119 Å²	119	122.3 Å²	122.3	62%	0.623	63%	0.629	S	S	*	*	H	α-helix	trans	-70.2	-40.1	177.3	-161	74	0	0	0	111	E2 R7 F8 I9	E2-L5 PolarHBondContact O-N 3.46Å; L5-R7 PolarHBondContact O-N 2.82Å; L5-F8 PolarHBondContact O-N 3.48Å; L5-I9 HydrophobicContact CG-CD1 4.17Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.22Å; L5-I9 PolarHBondContact O-N 3.49Å
6	L	57.6	Low	55.1	Low	134 Å²	134	122.1 Å²	122.1	70%	0.702	63%	0.628	S	S	*	*	H	α-helix	trans	-66	-37.7	177.1	-121.8	116.1	0	0	0	112.6	E2 L10	E2-L6 PolarHBondContact O-N 3.23Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 2.92Å
7	R	56.8	Low	54.5	Low	180 Å²	180	118.9 Å²	118.9	68%	0.679	62%	0.616	S	S	*	*	H	α-helix	trans	-68.4	-37.1	174.6	-78.6	-177.1	174.7	-176.6	-1	112.4	L5 F11	L5-R7 PolarHBondContact O-N 2.82Å; R7-F11 WeakPolarHBondContact O-CD2 3.47Å; R7-F11 PolarHBondContact O-N 2.93Å
8	F	61.9	Low	53.8	Low	155 Å²	155	119.1 Å²	119.1	68%	0.68	62%	0.617	S	S	*	*	H	α-helix	trans	-68.6	-43.3	177.9	-143.5	-93.9	0	0	0	111.6	N4 L5 L10 F11 T12	N4-F8 PolarHBondContact O-N 3.12Å; N4-F8 VanDerWaalsContact O-N 3.09Å; L5-F8 PolarHBondContact O-N 3.48Å; F8-L10 PolarHBondContact O-N 3.06Å; F8-F11 PolarHBondContact O-N 3.39Å; F8-T12 HydrophobicContact CD1-CG2 4.47Å; F8-T12 PolarHBondContact O-N 2.92Å; F8-T12 PolarHBondContact O-OG1 3.46Å
9	I	62.2	Low	52.9	Low	89 Å²	89	117.3 Å²	117.3	46%	0.456	61%	0.612	S	S	.	*	H	α-helix	trans	-62.9	-42.4	176.6	-67.6	168.3	0	0	0	110.9	L5 T12 L13	L5-I9 HydrophobicContact CG-CD1 4.17Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.22Å; L5-I9 PolarHBondContact O-N 3.49Å; I9-T12 WeakPolarHBondContact CA-OG1 3.39Å; I9-T12 PolarHBondContact O-N 3.46Å; I9-T12 PolarHBondContact O-OG1 2.95Å; I9-L13 HydrophobicContact CG2-CD1 3.8Å; I9-L13 WeakPolarHBondContact O-CB 3.38Å; I9-L13 PolarHBondContact O-N 3.5Å
10	L	58.3	Low	52.1	Low	117 Å²	117	114.5 Å²	114.5	61%	0.613	60%	0.602	S	S	*	*	H	α-helix	trans	-65.2	-39.9	177.5	-160.7	76.9	0	0	0	111.9	L6 F8 L13 V14	L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 2.92Å; F8-L10 PolarHBondContact O-N 3.06Å; L10-L13 PolarHBondContact O-N 3.47Å; L10-V14 WeakPolarHBondContact O-CB 3.39Å; L10-V14 VanDerWaalsContact O-CG2 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.13Å; L10-V14 PolarHBondContact O-N 2.93Å
11	F	55.8	Low	51.2	Low	166 Å²	166	115.5 Å²	115.5	73%	0.728	60%	0.602	S	S	*	*	H	α-helix	trans	-68.8	-37	176	-98.8	-85.4	0	0	0	112.8	R7 F8 G15	R7-F11 WeakPolarHBondContact O-CD2 3.47Å; R7-F11 PolarHBondContact O-N 2.93Å; F8-F11 PolarHBondContact O-N 3.39Å; F11-G15 PolarHBondContact O-N 3.48Å
12	T	55.8	Low	50.3	Low	66 Å²	66	110.5 Å²	110.5	41%	0.405	58%	0.58	S	S	.	*	H	α-helix	trans	-70.8	-35.8	174.3	42.3	0	0	0	0	112.7	F8 I9 L16	F8-T12 HydrophobicContact CD1-CG2 4.47Å; F8-T12 PolarHBondContact O-N 2.92Å; F8-T12 PolarHBondContact O-OG1 3.46Å; I9-T12 WeakPolarHBondContact CA-OG1 3.39Å; I9-T12 PolarHBondContact O-N 3.46Å; I9-T12 PolarHBondContact O-OG1 2.95Å; T12-L16 WeakPolarHBondContact O-CB 3.3Å; T12-L16 WeakPolarHBondContact O-CD1 3.36Å; T12-L16 PolarHBondContact O-N 2.97Å
13	L	52.1	Low	49.4	Very low	104 Å²	104	108.9 Å²	108.9	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-71.6	-40.5	176	-101.7	140.3	0	0	0	112.1	I9 L10 G15 L16 V17	I9-L13 HydrophobicContact CG2-CD1 3.8Å; I9-L13 WeakPolarHBondContact O-CB 3.38Å; I9-L13 PolarHBondContact O-N 3.5Å; L10-L13 PolarHBondContact O-N 3.47Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-V17 VanDerWaalsContact O-CB 3.3Å; L13-V17 WeakPolarHBondContact O-CB 3.49Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 3.1Å
14	V	53.9	Low	48.5	Very low	79 Å²	79	113.5 Å²	113.5	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-68.6	-35.7	174.5	174.7	0	0	0	0	111.1	L10 L18	L10-V14 WeakPolarHBondContact O-CB 3.39Å; L10-V14 VanDerWaalsContact O-CG2 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.13Å; L10-V14 PolarHBondContact O-N 2.93Å; V14-L18 HydrophobicContact CG1-CD1 3.88Å; V14-L18 WeakPolarHBondContact O-CB 3.31Å; V14-L18 WeakPolarHBondContact O-CD1 3.32Å; V14-L18 WeakPolarHBondContact O-CG 3.41Å; V14-L18 PolarHBondContact O-N 3.16Å
15	G	46.6	Very low	47.4	Very low	35 Å²	35	113.8 Å²	113.8	36%	0.361	59%	0.586	S	S	.	*	H	α-helix	trans	-65.4	-44.2	172.6	0	0	0	0	0	113.4	F11 L13 L18 T19	F11-G15 PolarHBondContact O-N 3.48Å; L13-G15 VanDerWaalsContact C-N 3.34Å; G15-L18 PolarHBondContact O-N 3.43Å; G15-T19 WeakPolarHBondContact O-CG2 3.42Å; G15-T19 PolarHBondContact O-N 3.42Å; G15-T19 PolarHBondContact O-OG1 3.36Å; G15-T19 VanDerWaalsContact O-OG1 3.12Å
16	L	44.2	Very low	46.4	Very low	119 Å²	119	115.3 Å²	115.3	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-70.9	-33.3	177.2	-100.6	125.9	0	0	0	113.1	T12 L13 T19 S20	T12-L16 WeakPolarHBondContact O-CB 3.3Å; T12-L16 WeakPolarHBondContact O-CD1 3.36Å; T12-L16 PolarHBondContact O-N 2.97Å; L13-L16 PolarHBondContact O-N 3.49Å; L16-T19 WeakPolarHBondContact CA-OG1 3.38Å; L16-T19 PolarHBondContact O-OG1 3.26Å; L16-T19 VanDerWaalsContact O-OG1 3.08Å; L16-S20 VanDerWaalsContact O-CB 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.33Å; L16-S20 PolarHBondContact O-N 3.35Å
17	V	44.1	Very low	45.4	Very low	68 Å²	68	116.2 Å²	116.2	41%	0.412	60%	0.596	S	S	.	*	H	α-helix	trans	-73.7	-34.7	175.4	172.9	0	0	0	0	110.7	L13 S20 F21	L13-V17 VanDerWaalsContact O-CB 3.3Å; L13-V17 WeakPolarHBondContact O-CB 3.49Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 3.1Å; V17-S20 PolarHBondContact O-N 3.43Å; V17-F21 HydrophobicContact CG1-CD2 3.64Å; V17-F21 HydrophobicContact CG1-CE2 3.83Å; V17-F21 VanDerWaalsContact O-CB 3.31Å; V17-F21 WeakPolarHBondContact O-CB 3.1Å; V17-F21 VanDerWaalsContact O-CD2 3.29Å; V17-F21 WeakPolarHBondContact O-CD2 3.32Å; V17-F21 PolarHBondContact O-N 2.78Å
18	L	41.1	Very low	44.8	Very low	123 Å²	123	110.5 Å²	110.5	64%	0.644	59%	0.587	S	S	*	*	H	α-helix	trans	-72.7	-29	173.3	-78.6	162.8	0	0	0	113.1	V14 G15	V14-L18 HydrophobicContact CG1-CD1 3.88Å; V14-L18 WeakPolarHBondContact O-CB 3.31Å; V14-L18 WeakPolarHBondContact O-CD1 3.32Å; V14-L18 WeakPolarHBondContact O-CG 3.41Å; V14-L18 PolarHBondContact O-N 3.16Å; G15-L18 PolarHBondContact O-N 3.43Å
19	T	38.1	Very low	44.7	Very low	84 Å²	84	107 Å²	107	52%	0.515	58%	0.581	S	S	.	*	H	α-helix	trans	-78.9	-33.7	171.1	53.6	0	0	0	0	112.6	G15 L16	G15-T19 WeakPolarHBondContact O-CG2 3.42Å; G15-T19 PolarHBondContact O-N 3.42Å; G15-T19 PolarHBondContact O-OG1 3.36Å; G15-T19 VanDerWaalsContact O-OG1 3.12Å; L16-T19 WeakPolarHBondContact CA-OG1 3.38Å; L16-T19 PolarHBondContact O-OG1 3.26Å; L16-T19 VanDerWaalsContact O-OG1 3.08Å
20	S	35.6	Very low	45.7	Very low	61 Å²	61	105.2 Å²	105.2	43%	0.427	58%	0.577	S	S	.	*	H	α-helix	trans	-80.8	-21.2	178.5	92.1	0	0	0	0	114	L16 V17	L16-S20 VanDerWaalsContact O-CB 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.33Å; L16-S20 PolarHBondContact O-N 3.35Å; V17-S20 PolarHBondContact O-N 3.43Å
21	F	34.8	Very low	47.3	Very low	137 Å²	137	104.6 Å²	104.6	60%	0.601	57%	0.571	S	S	*	*	H	α-helix	trans	-83.2	-15.7	173	-92	-95.7	0	0	0	113.5	V17	V17-F21 HydrophobicContact CG1-CD2 3.64Å; V17-F21 HydrophobicContact CG1-CE2 3.83Å; V17-F21 VanDerWaalsContact O-CB 3.31Å; V17-F21 WeakPolarHBondContact O-CB 3.1Å; V17-F21 VanDerWaalsContact O-CD2 3.29Å; V17-F21 WeakPolarHBondContact O-CD2 3.32Å; V17-F21 PolarHBondContact O-N 2.78Å
22	N	34.1	Very low	49.2	Very low	118 Å²	118	99.2 Å²	99.2	63%	0.631	55%	0.546	S	S	*	.	H	α-helix	trans	-88.1	-22.2	174.5	-137	31.2	0	0	0	112.9
23	D	34.3	Very low	51.2	Low	137 Å²	137	98.6 Å²	98.6	73%	0.733	54%	0.539	S	S	*	.	S	Bend	trans	-91.5	-6.1	179.4	-79.6	-21.6	0	0	0	114.5
24	H	33.8	Very low	53.4	Low	169 Å²	169	93.7 Å²	93.7	78%	0.782	51%	0.513	S	S	*	.	S	Bend	trans	-121.8	14.8	179.9	-85.5	-55.4	0	0	0	115.7
25	L	34.1	Very low	55.5	Low	129 Å²	129	89.9 Å²	89.9	68%	0.675	49%	0.49	S	S	*	.	S	Bend	trans	-135.9	44.4	177.6	-106.7	140.4	0	0	0	113.1
26	H	38.3	Very low	58	Low	152 Å²	152	88.2 Å²	88.2	70%	0.704	47%	0.473	S	S	*	.			trans	-136.6	56	162.8	-85.5	-46.7	0	0	0	111.9	A28	H26-A28 PolarHBondContact O-N 3.45Å; H26-A28 VanDerWaalsContact O-N 3.1Å
27	N	37.8	Very low	60.6	Low	153 Å²	153	83 Å²	83	82%	0.818	45%	0.445	S	S	*	.			trans	-80.2	51.4	147	-147.4	9.2	0	0	0	108.5	S29	N27-S29 PolarHBondContact O-N 2.84Å; N27-S29 VanDerWaalsContact O-N 3.16Å
28	A	43.7	Very low	63.2	Low	59 Å²	59	80.1 Å²	80.1	49%	0.488	43%	0.429	S	S	.	.			trans	-81.2	94.9	178.2	0	0	0	0	0	106.6	H26 S30	H26-A28 PolarHBondContact O-N 3.45Å; H26-A28 VanDerWaalsContact O-N 3.1Å; A28-S30 PolarHBondContact O-N 3.16Å; A28-S30 PolarHBondContact O-OG 3.44Å
29	S	59.4	Low	65.9	Low	81 Å²	81	74.2 Å²	74.2	57%	0.566	40%	0.398	S	S	*	.			trans	-49.2	106.9	169.1	61.2	0	0	0	0	108.3	N27 H31	N27-S29 PolarHBondContact O-N 2.84Å; N27-S29 VanDerWaalsContact O-N 3.16Å; S29-H31 PolarHBondContact O-N 3.41Å
30	S	82.9	Confident	68.8	Low	52 Å²	52	71 Å²	71	36%	0.364	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.1	-177.6	-66.3	0	0	0	0	107.3	A28 S172	A28-S30 PolarHBondContact O-N 3.16Å; A28-S30 PolarHBondContact O-OG 3.44Å; S30-S172 PolarHBondContact O-N 3.48Å; S30-S172 PolarHBondContact O-OG 3.36Å
31	H	92.2	Very high	71.8	Confident	104 Å²	104	68.8 Å²	68.8	48%	0.481	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.6	-179.3	-179.9	-84.4	0	0	0	110.3	S29 S172	S29-H31 PolarHBondContact O-N 3.41Å; H31-S172 WeakPolarHBondContact CA-O 3.34Å; H31-S172 VanDerWaalsContact CA-OG 3.32Å; H31-S172 WeakPolarHBondContact CA-OG 3.17Å; H31-S172 WeakPolarHBondContact CB-OG 3.28Å; H31-S172 PolarHBondContact CD2-OG 3.36Å
32	Y	96.3	Very high	74.8	Confident	53 Å²	53	62.5 Å²	62.5	21%	0.208	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.6	178.6	-62.6	-82.2	0	0	0	111.2	D56 I58 S172 C173 S174	Y32-D56 WeakPolarHBondContact CA-OD2 3.33Å; Y32-I58 HydrophobicContact CD1-CB 4.12Å; Y32-I58 HydrophobicContact CD1-CG2 4.2Å; Y32-I58 HydrophobicContact CD2-CB 4.16Å; Y32-I58 HydrophobicContact CD2-CG2 3.47Å; Y32-I58 VanDerWaalsContact CD2-CG2 3.47Å; Y32-I58 HydrophobicContact CE1-CB 3.98Å; Y32-I58 HydrophobicContact CE1-CG2 4.35Å; Y32-I58 HydrophobicContact CE2-CB 4.01Å; Y32-I58 HydrophobicContact CE2-CG1 4.49Å; Y32-I58 HydrophobicContact CE2-CG2 3.63Å; Y32-I58 HydrophobicContact CG-CB 4.2Å; Y32-I58 HydrophobicContact CG-CG2 3.76Å; Y32-S172 PolarHBondContact N-O 3.37Å; Y32-C173 WeakPolarHBondContact O-CA 3.44Å; Y32-C173 WeakPolarHBondContact O-CB 3.47Å; Y32-S174 PolarHBondContact O-N 2.86Å
33	Q	96.8	Very high	77.9	Confident	54 Å²	54	56.9 Å²	56.9	25%	0.252	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-43.3	168.3	-169.2	178.7	16.6	0	0	111.6	D56 S174 I175 H431	Q33-D56 HydrophobicContact CB-CB 4.12Å; Q33-D56 WeakPolarHBondContact CB-O 3.32Å; Q33-D56 PolarHBondContact N-O 3.04Å; Q33-D56 PolarHBondContact N-OD2 3.21Å; Q33-S174 PolarHBondContact O-N 2.88Å; Q33-I175 PolarHBondContact O-N 2.81Å; Q33-H431 PolarHBondContact NE2-CE1 3.06Å; Q33-H431 PolarHBondContact NE2-NE2 3.03Å; Q33-H431 PolarHBondContact OE1-CE1 3.41Å
34	Y	98.7	Very high	81	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.3	-178.7	-59.7	-87.9	0	0	0	112.3	L50 R55 D56 Y57 I58 I175 L177 L426 H431	Y34-L50 HydrophobicContact CD1-CD2 4.21Å; Y34-L50 HydrophobicContact CD2-CD2 3.95Å; Y34-L50 HydrophobicContact CE1-CD2 4.4Å; Y34-L50 HydrophobicContact CE2-CD2 4.14Å; Y34-L50 HydrophobicContact CG-CD1 4.32Å; Y34-L50 HydrophobicContact CG-CD2 4Å; Y34-R55 HydrophobicContact CD2-CB 4.05Å; Y34-R55 HydrophobicContact CE2-CB 3.98Å; Y34-R55 HydrophobicContact CE2-CG 4.21Å; Y34-D56 PolarHBondContact N-O 3.19Å; Y34-Y57 WeakPolarHBondContact O-CA 3.46Å; Y34-I58 PolarHBondContact O-N 3.31Å; Y34-I58 VanDerWaalsContact O-N 3.09Å; Y34-I175 WeakPolarHBondContact CA-O 3.37Å; Y34-I175 HydrophobicContact CD1-CB 3.61Å; Y34-I175 HydrophobicContact CD1-CG1 4.24Å; Y34-I175 HydrophobicContact CD1-CG2 3.73Å; Y34-I175 HydrophobicContact CE1-CB 3.8Å; Y34-I175 HydrophobicContact CE1-CG1 3.94Å; Y34-I175 HydrophobicContact CE1-CG2 3.87Å; Y34-L177 HydrophobicContact CD1-CD1 4.04Å; Y34-L426 HydrophobicContact CE1-CD1 4.09Å; Y34-L426 HydrophobicContact CE1-CD2 4.4Å; Y34-H431 AromaticContact CE2-NE2 3.86Å; Y34-H431 AromaticContact CZ-NE2 3.79Å; Y34-H431 PolarHBondContact OH-NE2 3.17Å
35	C	98.8	Very high	84.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128	161.9	-73.8	0	0	0	0	109.7	I58 L163 C173 I175 L176 L177	C35-I58 HydrophobicContact CB-CG2 4.49Å; C35-L163 HydrophobicContact CB-CD1 4.4Å; C35-L163 HydrophobicContact CB-CD2 4.49Å; C35-C173 HydrophobicContact CB-CB 3.94Å; C35-C173 WeakPolarHBondContact CB-SG 3.41Å; C35-C173 WeakPolarHBondContact SG-CB 3.36Å; C35-C173 VanDerWaalsContact SG-SG 3.64Å; C35-I175 PolarHBondContact N-O 2.87Å; C35-L176 HydrophobicContact CB-CD1 4.24Å; C35-L177 PolarHBondContact O-N 2.91Å
36	V	98.9	Very high	87.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.8	169.6	-178.4	0	0	0	0	108.2	M46 L50 I58 I59 L60 L177 A179	V36-M46 HydrophobicContact CG2-CG 4.27Å; V36-L50 HydrophobicContact CG2-CD1 3.89Å; V36-I58 PolarHBondContact N-O 3.14Å; V36-I59 HydrophobicContact CB-CB 4.3Å; V36-I59 HydrophobicContact CB-CG1 3.81Å; V36-I59 HydrophobicContact CB-CG2 4.39Å; V36-I59 HydrophobicContact CG1-CG1 4.18Å; V36-I59 HydrophobicContact CG1-CG2 4.3Å; V36-I59 HydrophobicContact CG2-CG1 4.23Å; V36-I59 CarbonylContact O-C 3.43Å; V36-I59 VanDerWaalsContact O-CA 3.31Å; V36-I59 WeakPolarHBondContact O-CA 3.45Å; V36-L60 PolarHBondContact O-N 3.34Å; V36-L177 CarbonylContact C-O 3.55Å; V36-L177 VanDerWaalsContact CA-O 3.31Å; V36-L177 WeakPolarHBondContact CA-O 3.25Å; V36-L177 HydrophobicContact CG2-CB 4.13Å; V36-L177 HydrophobicContact CG2-CD1 4.03Å; V36-A179 HydrophobicContact CG1-CB 4.36Å
37	L	98.6	Very high	90	Very high	10 Å²	10	29 Å²	29	5%	0.052	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	106.6	-179.2	-175.8	61	0	0	0	110.8	L60 V147 I150 L163 L176 L177 A179 T180 I360	L37-L60 HydrophobicContact CD1-CB 4.3Å; L37-V147 HydrophobicContact CD1-CB 3.86Å; L37-V147 HydrophobicContact CD1-CG2 3.66Å; L37-I150 HydrophobicContact CD2-CD1 3.71Å; L37-L163 HydrophobicContact CD1-CD2 4.35Å; L37-L176 HydrophobicContact CB-CD1 4.44Å; L37-L177 PolarHBondContact N-O 3.18Å; L37-A179 CarbonylContact O-C 3.57Å; L37-A179 VanDerWaalsContact O-CA 3.27Å; L37-A179 WeakPolarHBondContact O-CA 3.18Å; L37-A179 PolarHBondContact O-N 3.18Å; L37-T180 HydrophobicContact CB-CG2 4.36Å; L37-T180 HydrophobicContact CD2-CG2 3.75Å; L37-T180 HydrophobicContact CG-CG2 3.61Å; L37-T180 PolarHBondContact O-N 3.16Å; L37-I360 HydrophobicContact CD2-CD1 4.02Å
38	G	98.5	Very high	92.9	Very high	6 Å²	6	22.2 Å²	22.2	6%	0.062	14%	0.135	C	C	.	.			trans	107.7	129.6	179.4	0	0	0	0	0	113.3	G40 G43 L60	G38-G40 VanDerWaalsContact C-N 3.3Å; G38-G40 PolarHBondContact O-N 3.1Å; G38-G43 WeakPolarHBondContact O-CA 3.49Å; G38-L60 WeakPolarHBondContact CA-O 3.36Å; G38-L60 PolarHBondContact N-O 2.68Å
39	A	98.4	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.			trans	-96.3	38.3	174.4	0	0	0	0	0	112.1	L44 I59 E61 P66 G67 V141 Y143	A39-L44 HydrophobicContact CB-CD2 4.16Å; A39-I59 HydrophobicContact CB-CG2 3.97Å; A39-E61 HydrophobicContact CB-CB 3.58Å; A39-E61 HydrophobicContact CB-CG 3.84Å; A39-E61 PolarHBondContact N-OE2 3Å; A39-P66 HydrophobicContact CB-CB 4.4Å; A39-P66 WeakPolarHBondContact O-CA 3.35Å; A39-P66 WeakPolarHBondContact O-CB 3.31Å; A39-G67 PolarHBondContact O-N 3.26Å; A39-V141 HydrophobicContact CB-CG1 3.83Å; A39-Y143 HydrophobicContact CB-CE1 4.3Å
40	G	98.3	Very high	97.4	Very high	16 Å²	16	16.4 Å²	16.4	17%	0.165	9%	0.088	C	C	.	.	S	Bend	trans	-76.5	-179.7	165.7	0	0	0	0	0	112	G38 A42 G43 L44	G38-G40 VanDerWaalsContact C-N 3.3Å; G38-G40 PolarHBondContact O-N 3.1Å; G40-A42 VanDerWaalsContact C-N 3.27Å; G40-A42 PolarHBondContact O-N 3.15Å; G40-A42 VanDerWaalsContact O-N 3.17Å; G40-G43 PolarHBondContact O-N 2.78Å; G40-G43 VanDerWaalsContact O-N 3.07Å; G40-L44 PolarHBondContact O-N 3.19Å
41	P	98.6	Very high	98.2	Very high	14 Å²	14	15.8 Å²	15.8	9%	0.091	8%	0.084	C	C	.	.	H	α-helix	trans	-54.6	-40.2	-177.6	-22	28.2	0	0	0	113.7	Q45 F70 L103 F126 L130 V412 F415	P41-Q45 WeakPolarHBondContact O-CB 3.3Å; P41-Q45 PolarHBondContact O-N 3.29Å; P41-F70 HydrophobicContact CG-CE2 4.03Å; P41-L103 HydrophobicContact CB-CD2 4.02Å; P41-L103 WeakPolarHBondContact O-CD1 3.34Å; P41-F126 HydrophobicContact CB-CE1 4.45Å; P41-F126 HydrophobicContact CB-CZ 4.21Å; P41-F126 HydrophobicContact CG-CE1 3.56Å; P41-F126 HydrophobicContact CG-CZ 3.78Å; P41-L130 HydrophobicContact CB-CD2 4.19Å; P41-L130 HydrophobicContact CG-CD1 3.96Å; P41-L130 HydrophobicContact CG-CD2 4.25Å; P41-V412 HydrophobicContact CB-CG2 4.2Å; P41-V412 HydrophobicContact CG-CG2 4.3Å; P41-F415 HydrophobicContact CB-CE2 4.03Å; P41-F415 HydrophobicContact CB-CZ 3.97Å
42	A	98.6	Very high	98.4	Very high	6 Å²	6	16.7 Å²	16.7	5%	0.05	9%	0.087	C	C	.	.	H	α-helix	trans	-69.8	-38.5	179.3	0	0	0	0	0	113.1	G40 M46 A179 L395 G396 F415	G40-A42 VanDerWaalsContact C-N 3.27Å; G40-A42 PolarHBondContact O-N 3.15Å; G40-A42 VanDerWaalsContact O-N 3.17Å; A42-M46 PolarHBondContact O-N 2.75Å; A42-A179 HydrophobicContact CB-CB 4.31Å; A42-L395 HydrophobicContact CB-CB 4.22Å; A42-G396 VanDerWaalsContact CB-CA 3.42Å; A42-F415 HydrophobicContact CB-CD2 4.04Å; A42-F415 HydrophobicContact CB-CE2 3.84Å; A42-F415 HydrophobicContact CB-CZ 4.4Å
43	G	98.7	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68	-44.9	177.6	0	0	0	0	0	111.8	G38 G40 M46 G47	G38-G43 WeakPolarHBondContact O-CA 3.49Å; G40-G43 PolarHBondContact O-N 2.78Å; G40-G43 VanDerWaalsContact O-N 3.07Å; G43-M46 PolarHBondContact O-N 2.78Å; G43-G47 PolarHBondContact O-N 3.43Å
44	L	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-39.5	174.4	-64.2	-174.1	0	0	0	112.3	A39 G40 M46 G47 F48 I59 P66 L103 L130 F133 E134 L139 V141	A39-L44 HydrophobicContact CB-CD2 4.16Å; G40-L44 PolarHBondContact O-N 3.19Å; L44-M46 VanDerWaalsContact C-N 3.34Å; L44-M46 PolarHBondContact O-N 3.23Å; L44-G47 PolarHBondContact O-N 3.5Å; L44-F48 PolarHBondContact O-N 3.37Å; L44-I59 HydrophobicContact CD2-CD1 4.26Å; L44-P66 HydrophobicContact CD1-CB 3.81Å; L44-L103 HydrophobicContact CB-CD1 4.17Å; L44-L130 HydrophobicContact CD1-CB 3.82Å; L44-L130 HydrophobicContact CD1-CD2 4.11Å; L44-L130 HydrophobicContact CD1-CG 4.44Å; L44-F133 HydrophobicContact CB-CD1 4.24Å; L44-F133 HydrophobicContact CB-CE1 4.42Å; L44-E134 HydrophobicContact CD1-CB 4.42Å; L44-E134 HydrophobicContact CD2-CB 4.29Å; L44-E134 HydrophobicContact CD2-CG 4.45Å; L44-L139 HydrophobicContact CB-CD1 4.28Å; L44-L139 HydrophobicContact CD2-CD1 4.11Å; L44-V141 HydrophobicContact CD2-CG2 3.99Å
45	Q	98.8	Very high	98.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-44.2	175.1	-178.4	65.7	81.8	0	0	112	P41 F49 L103 L104 R416 A419	P41-Q45 WeakPolarHBondContact O-CB 3.3Å; P41-Q45 PolarHBondContact O-N 3.29Å; Q45-F49 HydrophobicContact CG-CD2 4.39Å; Q45-F49 HydrophobicContact CG-CE2 3.77Å; Q45-F49 WeakPolarHBondContact O-CD2 3.23Å; Q45-F49 PolarHBondContact O-N 3Å; Q45-L103 HydrophobicContact CB-CD1 4.36Å; Q45-L103 HydrophobicContact CB-CD2 4.19Å; Q45-L104 PolarHBondContact NE2-O 3.32Å; Q45-R416 HydrophobicContact CG-CB 4.36Å; Q45-A419 HydrophobicContact CG-CB 3.9Å
46	M	98.9	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.7	-40.6	175.4	-179.3	57.9	73.2	0	0	111.6	V36 A42 G43 L44 F48 F49 L50 L177 L395 A419 V422 H423	V36-M46 HydrophobicContact CG2-CG 4.27Å; A42-M46 PolarHBondContact O-N 2.75Å; G43-M46 PolarHBondContact O-N 2.78Å; L44-M46 VanDerWaalsContact C-N 3.34Å; L44-M46 PolarHBondContact O-N 3.23Å; M46-F48 VanDerWaalsContact C-N 3.29Å; M46-F48 PolarHBondContact O-N 3.03Å; M46-F49 PolarHBondContact O-N 2.97Å; M46-F49 VanDerWaalsContact O-N 3.09Å; M46-L50 HydrophobicContact CG-CD1 3.97Å; M46-L50 HydrophobicContact CG-CG 4.28Å; M46-L50 WeakPolarHBondContact O-CG 3.21Å; M46-L50 PolarHBondContact O-N 3.04Å; M46-L50 HydrophobicContact SD-CD1 4.42Å; M46-L50 HydrophobicContact SD-CG 4.17Å; M46-L177 HydrophobicContact CG-CD1 3.59Å; M46-L177 HydrophobicContact SD-CD1 4.01Å; M46-L395 HydrophobicContact CB-CD1 3.71Å; M46-L395 HydrophobicContact CE-CD1 3.8Å; M46-L395 HydrophobicContact CE-CD2 3.73Å; M46-L395 HydrophobicContact CE-CG 4.46Å; M46-L395 HydrophobicContact CG-CD1 3.78Å; M46-A419 WeakPolarHBondContact CE-O 3.35Å; M46-V422 HydrophobicContact CE-CB 4.05Å; M46-V422 HydrophobicContact CE-CG1 3.91Å; M46-H423 HydrophobicContact CE-CB 4.23Å; M46-H423 HydrophobicContact SD-CB 4.09Å
47	G	98.8	Very high	98.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-53.2	-44.4	172.7	0	0	0	0	0	112.9	G43 L44 L50 S51 Y57	G43-G47 PolarHBondContact O-N 3.43Å; L44-G47 PolarHBondContact O-N 3.5Å; G47-L50 PolarHBondContact O-N 2.97Å; G47-S51 VanDerWaalsContact O-CB 3.23Å; G47-S51 WeakPolarHBondContact O-CB 3.38Å; G47-S51 PolarHBondContact O-N 3.09Å; G47-Y57 PolarHBondContact O-OH 2.93Å
48	F	98.8	Very high	98.5	Very high	11 Å²	11	27.6 Å²	27.6	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-58.6	-47.9	173.9	163.5	-109.8	0	0	0	112.1	L44 M46 S51 K52 L104 F133 L137 L139	L44-F48 PolarHBondContact O-N 3.37Å; M46-F48 VanDerWaalsContact C-N 3.29Å; M46-F48 PolarHBondContact O-N 3.03Å; F48-S51 PolarHBondContact O-N 2.79Å; F48-K52 HydrophobicContact CE1-CD 4.48Å; F48-K52 HydrophobicContact CE2-CB 4.44Å; F48-K52 HydrophobicContact CE2-CD 4.21Å; F48-K52 HydrophobicContact CZ-CD 3.81Å; F48-K52 VanDerWaalsContact O-CB 3.28Å; F48-K52 WeakPolarHBondContact O-CB 3.46Å; F48-K52 PolarHBondContact O-N 2.85Å; F48-L104 VanDerWaalsContact CD1-O 3.22Å; F48-L104 WeakPolarHBondContact CD1-O 3.43Å; F48-L104 WeakPolarHBondContact CE1-O 3.37Å; F48-F133 HydrophobicContact CB-CE1 3.96Å; F48-F133 HydrophobicContact CB-CZ 4.02Å; F48-F133 HydrophobicContact CG-CZ 4.31Å; F48-L137 HydrophobicContact CB-CD1 4.3Å; F48-L137 HydrophobicContact CD2-CD1 3.74Å; F48-L137 HydrophobicContact CD2-CD2 4.37Å; F48-L137 HydrophobicContact CE2-CD1 4.45Å; F48-L137 HydrophobicContact CE2-CD2 4.47Å; F48-L137 HydrophobicContact CG-CD1 4.23Å; F48-L139 HydrophobicContact CB-CD2 4.4Å
49	F	98.8	Very high	98.5	Very high	17 Å²	17	27.3 Å²	27.3	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-43.8	-179.8	-66.4	-51.7	0	0	0	112.4	Q45 M46 K52 A53 L104 R420 H423	Q45-F49 HydrophobicContact CG-CD2 4.39Å; Q45-F49 HydrophobicContact CG-CE2 3.77Å; Q45-F49 WeakPolarHBondContact O-CD2 3.23Å; Q45-F49 PolarHBondContact O-N 3Å; M46-F49 PolarHBondContact O-N 2.97Å; M46-F49 VanDerWaalsContact O-N 3.09Å; F49-K52 PolarHBondContact O-N 3.38Å; F49-A53 WeakPolarHBondContact O-CB 3.41Å; F49-A53 PolarHBondContact O-N 2.65Å; F49-L104 HydrophobicContact CZ-CB 4.33Å; F49-L104 HydrophobicContact CZ-CD1 4.13Å; F49-R420 HydrophobicContact CE1-CB 4.42Å; F49-R420 HydrophobicContact CE1-CG 4.36Å; F49-R420 VanDerWaalsContact CE2-CA 3.49Å; F49-R420 HydrophobicContact CE2-CB 3.68Å; F49-R420 HydrophobicContact CE2-CG 4.43Å; F49-R420 HydrophobicContact CZ-CB 3.58Å; F49-R420 HydrophobicContact CZ-CG 3.98Å; F49-H423 HydrophobicContact CB-CB 4.04Å; F49-H423 VanDerWaalsContact CB-CD2 3.49Å; F49-H423 WeakPolarHBondContact CB-CD2 3.22Å; F49-H423 HydrophobicContact CD2-CB 4.24Å; F49-H423 HydrophobicContact CG-CB 4.29Å; F49-H423 PolarHBondContact O-NE2 2.92Å
50	L	98.8	Very high	98.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-43.4	176.2	-67.2	173	0	0	0	112	Y34 V36 M46 G47 A53 K54 R55 Y57 L177	Y34-L50 HydrophobicContact CD1-CD2 4.21Å; Y34-L50 HydrophobicContact CD2-CD2 3.95Å; Y34-L50 HydrophobicContact CE1-CD2 4.4Å; Y34-L50 HydrophobicContact CE2-CD2 4.14Å; Y34-L50 HydrophobicContact CG-CD1 4.32Å; Y34-L50 HydrophobicContact CG-CD2 4Å; V36-L50 HydrophobicContact CG2-CD1 3.89Å; M46-L50 HydrophobicContact CG-CD1 3.97Å; M46-L50 HydrophobicContact CG-CG 4.28Å; M46-L50 WeakPolarHBondContact O-CG 3.21Å; M46-L50 PolarHBondContact O-N 3.04Å; M46-L50 HydrophobicContact SD-CD1 4.42Å; M46-L50 HydrophobicContact SD-CG 4.17Å; G47-L50 PolarHBondContact O-N 2.97Å; L50-A53 CarbonylContact O-C 3.17Å; L50-A53 PolarHBondContact O-N 3.25Å; L50-K54 PolarHBondContact O-N 3.08Å; L50-K54 VanDerWaalsContact O-N 3.14Å; L50-R55 HydrophobicContact CB-CB 4.24Å; L50-R55 HydrophobicContact CD2-CB 4.02Å; L50-R55 HydrophobicContact CD2-CG 4.02Å; L50-R55 PolarHBondContact O-N 3.35Å; L50-Y57 HydrophobicContact CB-CD1 3.76Å; L50-Y57 HydrophobicContact CB-CD2 4.41Å; L50-Y57 HydrophobicContact CB-CE1 4.17Å; L50-Y57 HydrophobicContact CB-CG 3.91Å; L50-Y57 HydrophobicContact CD1-CD2 4.18Å; L50-Y57 HydrophobicContact CD1-CG 3.99Å; L50-L177 HydrophobicContact CD1-CD1 3.92Å
51	S	98.5	Very high	98.6	Very high	40 Å²	40	27.2 Å²	27.2	28%	0.28	13%	0.134	S	C	.	.	H	α-helix	trans	-60.6	-48.7	175.7	-173.6	0	0	0	0	111.5	G47 F48 A53 K54 Y57	G47-S51 VanDerWaalsContact O-CB 3.23Å; G47-S51 WeakPolarHBondContact O-CB 3.38Å; G47-S51 PolarHBondContact O-N 3.09Å; F48-S51 PolarHBondContact O-N 2.79Å; S51-A53 VanDerWaalsContact C-N 3.29Å; S51-A53 PolarHBondContact O-N 3.19Å; S51-K54 WeakPolarHBondContact O-CA 3.28Å; S51-K54 PolarHBondContact O-N 2.76Å; S51-Y57 WeakPolarHBondContact CB-OH 3.28Å
52	K	98	Very high	98.5	Very high	123 Å²	123	30.6 Å²	30.6	54%	0.535	15%	0.145	S	C	.	.	H	α-helix	trans	-60	-39	178.5	-178.4	168.4	-176.7	154.6	0	112.5	F48 F49 K54 D106	F48-K52 HydrophobicContact CE1-CD 4.48Å; F48-K52 HydrophobicContact CE2-CB 4.44Å; F48-K52 HydrophobicContact CE2-CD 4.21Å; F48-K52 HydrophobicContact CZ-CD 3.81Å; F48-K52 VanDerWaalsContact O-CB 3.28Å; F48-K52 WeakPolarHBondContact O-CB 3.46Å; F48-K52 PolarHBondContact O-N 2.85Å; F49-K52 PolarHBondContact O-N 3.38Å; K52-K54 PolarHBondContact O-N 3.33Å; K52-D106 IonicContact NZ-OD2 3.69Å; K52-D106 PolarHBondContact NZ-OD2 3.3Å; K52-D106 VanDerWaalsContact NZ-OD2 3.15Å
53	A	98.1	Very high	98.5	Very high	27 Å²	27	33.2 Å²	33.2	22%	0.223	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	6.7	175.2	0	0	0	0	0	113.6	F49 L50 S51 R55	F49-A53 WeakPolarHBondContact O-CB 3.41Å; F49-A53 PolarHBondContact O-N 2.65Å; L50-A53 CarbonylContact O-C 3.17Å; L50-A53 PolarHBondContact O-N 3.25Å; S51-A53 VanDerWaalsContact C-N 3.29Å; S51-A53 PolarHBondContact O-N 3.19Å; A53-R55 HydrophobicContact CB-CG 3.9Å; A53-R55 WeakPolarHBondContact O-CD 3.48Å; A53-R55 PolarHBondContact O-N 2.61Å; A53-R55 PolarHBondContact O-NE 3.43Å
54	K	98.1	Very high	98.4	Very high	191 Å²	191	38.8 Å²	38.8	83%	0.83	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.8	-179.7	-57.6	-179.5	-179.9	179.7	0	112.9	L50 S51 K52	L50-K54 PolarHBondContact O-N 3.08Å; L50-K54 VanDerWaalsContact O-N 3.14Å; S51-K54 WeakPolarHBondContact O-CA 3.28Å; S51-K54 PolarHBondContact O-N 2.76Å; K52-K54 PolarHBondContact O-N 3.33Å
55	R	98.2	Very high	98.3	Very high	44 Å²	44	39.8 Å²	39.8	17%	0.166	21%	0.207	C	C	.	.			trans	-79.3	154.9	178	-54.8	-49.9	-178.5	-166.4	-1.8	111	Y34 L50 A53 Y57 E427 H431 N433	Y34-R55 HydrophobicContact CD2-CB 4.05Å; Y34-R55 HydrophobicContact CE2-CB 3.98Å; Y34-R55 HydrophobicContact CE2-CG 4.21Å; L50-R55 HydrophobicContact CB-CB 4.24Å; L50-R55 HydrophobicContact CD2-CB 4.02Å; L50-R55 HydrophobicContact CD2-CG 4.02Å; L50-R55 PolarHBondContact O-N 3.35Å; A53-R55 HydrophobicContact CB-CG 3.9Å; A53-R55 WeakPolarHBondContact O-CD 3.48Å; A53-R55 PolarHBondContact O-N 2.61Å; A53-R55 PolarHBondContact O-NE 3.43Å; R55-Y57 WeakPolarHBondContact O-CD1 3.29Å; R55-Y57 PolarHBondContact O-N 3.19Å; R55-E427 IonicContact CZ-OE1 3.96Å; R55-E427 VanDerWaalsContact CZ-OE1 3.3Å; R55-E427 IonicContact CZ-OE2 2.85Å; R55-E427 IonicContact NE-OE1 2.93Å; R55-E427 PolarHBondContact NE-OE1 3.35Å; R55-E427 IonicContact NE-OE2 3.58Å; R55-E427 IonicContact NH2-OE1 3.55Å; R55-E427 PolarHBondContact NH2-OE1 3.13Å; R55-E427 IonicContact NH2-OE2 3.06Å; R55-E427 PolarHBondContact NH2-OE2 3.1Å; R55-H431 VanDerWaalsContact CZ-CD2 3.5Å; R55-H431 VanDerWaalsContact CZ-ND1 3.33Å; R55-H431 PolarHBondContact NE-NE2 3.08Å; R55-H431 PolarHBondContact NH1-CE1 2.97Å; R55-H431 PolarHBondContact NH1-ND1 3.21Å; R55-N433 PolarHBondContact NH2-ND2 3.28Å
56	D	97.9	Very high	98.3	Very high	67 Å²	67	40.1 Å²	40.1	36%	0.358	21%	0.21	S	C	.	.			trans	-83.3	109.8	172.1	176.3	39.2	0	0	0	109.9	Y32 Q33 Y34	Y32-D56 WeakPolarHBondContact CA-OD2 3.33Å; Q33-D56 HydrophobicContact CB-CB 4.12Å; Q33-D56 WeakPolarHBondContact CB-O 3.32Å; Q33-D56 PolarHBondContact N-O 3.04Å; Q33-D56 PolarHBondContact N-OD2 3.21Å; Y34-D56 PolarHBondContact N-O 3.19Å
57	Y	98.6	Very high	98.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.6	-174.3	80.9	-79.9	0	0	0	113.3	Y34 G47 L50 S51 R55 I59 L139 K140	Y34-Y57 WeakPolarHBondContact O-CA 3.46Å; G47-Y57 PolarHBondContact O-OH 2.93Å; L50-Y57 HydrophobicContact CB-CD1 3.76Å; L50-Y57 HydrophobicContact CB-CD2 4.41Å; L50-Y57 HydrophobicContact CB-CE1 4.17Å; L50-Y57 HydrophobicContact CB-CG 3.91Å; L50-Y57 HydrophobicContact CD1-CD2 4.18Å; L50-Y57 HydrophobicContact CD1-CG 3.99Å; S51-Y57 WeakPolarHBondContact CB-OH 3.28Å; R55-Y57 WeakPolarHBondContact O-CD1 3.29Å; R55-Y57 PolarHBondContact O-N 3.19Å; Y57-I59 HydrophobicContact CD2-CG1 4.17Å; Y57-I59 HydrophobicContact CE2-CD1 3.92Å; Y57-I59 HydrophobicContact CE2-CG1 3.96Å; Y57-L139 WeakPolarHBondContact OH-CA 3.19Å; Y57-K140 HydrophobicContact CE1-CD 4.38Å; Y57-K140 HydrophobicContact CE2-CB 4.17Å; Y57-K140 WeakPolarHBondContact O-CD 3.45Å; Y57-K140 PolarHBondContact OH-N 3.22Å
58	I	98.7	Very high	98.1	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.072	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.9	168.3	-169.4	63	0	0	0	110.3	Y32 Y34 C35 V36 L60 K140 K142	Y32-I58 HydrophobicContact CD1-CB 4.12Å; Y32-I58 HydrophobicContact CD1-CG2 4.2Å; Y32-I58 HydrophobicContact CD2-CB 4.16Å; Y32-I58 HydrophobicContact CD2-CG2 3.47Å; Y32-I58 VanDerWaalsContact CD2-CG2 3.47Å; Y32-I58 HydrophobicContact CE1-CB 3.98Å; Y32-I58 HydrophobicContact CE1-CG2 4.35Å; Y32-I58 HydrophobicContact CE2-CB 4.01Å; Y32-I58 HydrophobicContact CE2-CG1 4.49Å; Y32-I58 HydrophobicContact CE2-CG2 3.63Å; Y32-I58 HydrophobicContact CG-CB 4.2Å; Y32-I58 HydrophobicContact CG-CG2 3.76Å; Y34-I58 PolarHBondContact O-N 3.31Å; Y34-I58 VanDerWaalsContact O-N 3.09Å; C35-I58 HydrophobicContact CB-CG2 4.49Å; V36-I58 PolarHBondContact N-O 3.14Å; I58-L60 HydrophobicContact CG1-CD2 3.8Å; I58-L60 HydrophobicContact CG2-CD2 4.25Å; I58-L60 HydrophobicContact CG2-CG 4.45Å; I58-K140 HydrophobicContact CD1-CB 4.27Å; I58-K142 HydrophobicContact CD1-CB 4.19Å; I58-K142 HydrophobicContact CG1-CB 4.45Å
59	I	98.9	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.9	168	-57	158.5	0	0	0	108.1	V36 A39 L44 Y57 L139 K140 V141 K142	V36-I59 HydrophobicContact CB-CB 4.3Å; V36-I59 HydrophobicContact CB-CG1 3.81Å; V36-I59 HydrophobicContact CB-CG2 4.39Å; V36-I59 HydrophobicContact CG1-CG1 4.18Å; V36-I59 HydrophobicContact CG1-CG2 4.3Å; V36-I59 HydrophobicContact CG2-CG1 4.23Å; V36-I59 CarbonylContact O-C 3.43Å; V36-I59 VanDerWaalsContact O-CA 3.31Å; V36-I59 WeakPolarHBondContact O-CA 3.45Å; A39-I59 HydrophobicContact CB-CG2 3.97Å; L44-I59 HydrophobicContact CD2-CD1 4.26Å; Y57-I59 HydrophobicContact CD2-CG1 4.17Å; Y57-I59 HydrophobicContact CE2-CD1 3.92Å; Y57-I59 HydrophobicContact CE2-CG1 3.96Å; I59-L139 HydrophobicContact CD1-CB 4.41Å; I59-K140 WeakPolarHBondContact CB-O 3.41Å; I59-K140 PolarHBondContact N-O 3.09Å; I59-V141 HydrophobicContact CB-CB 4.39Å; I59-V141 HydrophobicContact CB-CG1 4.32Å; I59-V141 HydrophobicContact CB-CG2 4.06Å; I59-V141 HydrophobicContact CD1-CG2 3.78Å; I59-V141 HydrophobicContact CG2-CG1 4.18Å; I59-V141 HydrophobicContact CG2-CG2 4.33Å; I59-V141 CarbonylContact O-C 3.46Å; I59-V141 WeakPolarHBondContact O-CA 3.42Å; I59-K142 PolarHBondContact O-N 3.11Å
60	L	98.8	Very high	97.9	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.9	178.3	-55.3	178.2	0	0	0	109.6	V36 L37 G38 I58 K142 V145 V147 L163 Y171	V36-L60 PolarHBondContact O-N 3.34Å; L37-L60 HydrophobicContact CD1-CB 4.3Å; G38-L60 WeakPolarHBondContact CA-O 3.36Å; G38-L60 PolarHBondContact N-O 2.68Å; I58-L60 HydrophobicContact CG1-CD2 3.8Å; I58-L60 HydrophobicContact CG2-CD2 4.25Å; I58-L60 HydrophobicContact CG2-CG 4.45Å; L60-K142 HydrophobicContact CD2-CB 4.14Å; L60-V145 HydrophobicContact CB-CB 4.41Å; L60-V145 HydrophobicContact CB-CG1 4.23Å; L60-V145 HydrophobicContact CD1-CG1 4.37Å; L60-V145 HydrophobicContact CD2-CG1 4.24Å; L60-V147 HydrophobicContact CD1-CG2 4.05Å; L60-L163 HydrophobicContact CD1-CD2 4.08Å; L60-Y171 HydrophobicContact CD1-CD1 4.32Å; L60-Y171 HydrophobicContact CD1-CD2 4.07Å; L60-Y171 HydrophobicContact CD1-CG 3.9Å; L60-Y171 HydrophobicContact CD2-CD1 3.99Å; L60-Y171 HydrophobicContact CD2-CE1 4Å; L60-Y171 HydrophobicContact CD2-CG 4.39Å
61	E	98.6	Very high	97.7	Very high	13 Å²	13	49.9 Å²	49.9	6%	0.061	26%	0.261	C	S	.	.			trans	-130.6	131.4	179	173	54.8	-127.8	0	0	110.8	A39 N63 V141 K142 Y143 G144 V145	A39-E61 HydrophobicContact CB-CB 3.58Å; A39-E61 HydrophobicContact CB-CG 3.84Å; A39-E61 PolarHBondContact N-OE2 3Å; E61-N63 HydrophobicContact CG-CB 4.45Å; E61-N63 WeakPolarHBondContact OE1-CB 3.42Å; E61-N63 PolarHBondContact OE1-N 3.31Å; E61-N63 PolarHBondContact OE1-ND2 3.09Å; E61-V141 HydrophobicContact CB-CG1 4.26Å; E61-K142 PolarHBondContact N-O 3.31Å; E61-Y143 HydrophobicContact CB-CD1 3.75Å; E61-Y143 HydrophobicContact CB-CE1 3.91Å; E61-Y143 HydrophobicContact CG-CD1 3.64Å; E61-Y143 HydrophobicContact CG-CE1 3.69Å; E61-Y143 CarbonylContact O-C 3.51Å; E61-Y143 VanDerWaalsContact O-C 3.3Å; E61-Y143 WeakPolarHBondContact O-CA 3.49Å; E61-G144 PolarHBondContact O-N 2.81Å; E61-V145 CarbonylContact C-O 3.59Å; E61-V145 PolarHBondContact O-N 2.97Å
62	R	97.5	Very high	97.6	Very high	85 Å²	85	52.6 Å²	52.6	32%	0.321	27%	0.267	S	S	.	.	S	Bend	trans	-73	-29	-177.4	68.2	-174.7	158.6	177	-4	113.8	G144 V145 D146 W183	R62-G144 WeakPolarHBondContact O-CA 3.39Å; R62-V145 VanDerWaalsContact CA-O 3.27Å; R62-V145 WeakPolarHBondContact CA-O 3.47Å; R62-V145 PolarHBondContact N-O 3.13Å; R62-D146 HydrophobicContact CB-CB 3.72Å; R62-D146 WeakPolarHBondContact CD-OD1 3.44Å; R62-W183 VanDerWaalsContact NH2-CD2 3.26Å; R62-W183 VanDerWaalsContact NH2-CE2 3.31Å
63	N	97.7	Very high	97.5	Very high	61 Å²	61	47.7 Å²	47.7	33%	0.326	25%	0.246	S	C	.	.	S	Bend	trans	-89.3	179.6	-178.1	-60.8	-79.5	0	0	0	111.5	E61 S68 Y143 G144	E61-N63 HydrophobicContact CG-CB 4.45Å; E61-N63 WeakPolarHBondContact OE1-CB 3.42Å; E61-N63 PolarHBondContact OE1-N 3.31Å; E61-N63 PolarHBondContact OE1-ND2 3.09Å; N63-S68 VanDerWaalsContact CG-CB 3.47Å; N63-S68 WeakPolarHBondContact ND2-CB 3.45Å; N63-S68 PolarHBondContact ND2-OG 3.05Å; N63-Y143 WeakPolarHBondContact O-CB 3.44Å; N63-Y143 WeakPolarHBondContact O-CD1 3.36Å; N63-G144 PolarHBondContact O-N 2.82Å
64	S	96.8	Very high	97.4	Very high	118 Å²	118	47.3 Å²	47.3	83%	0.825	24%	0.241	S	C	*	.	S	Bend	trans	-85.4	-4.3	-179.6	56	0	0	0	0	114.7
65	G	97.3	Very high	97.3	Very high	21 Å²	21	39.9 Å²	39.9	22%	0.216	21%	0.207	C	C	.	.	S	Bend	trans	-159.7	167.9	-177	0	0	0	0	0	112.6	Y143	G65-Y143 VanDerWaalsContact CA-CE1 3.44Å
66	P	98.1	Very high	97.1	Very high	7 Å²	7	39.8 Å²	39.8	5%	0.045	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	153.8	-172.8	31.2	-31.2	0	0	0	111.5	A39 L44 S68 L130 S131 Y143	A39-P66 HydrophobicContact CB-CB 4.4Å; A39-P66 WeakPolarHBondContact O-CA 3.35Å; A39-P66 WeakPolarHBondContact O-CB 3.31Å; L44-P66 HydrophobicContact CD1-CB 3.81Å; P66-S68 PolarHBondContact O-N 2.94Å; P66-L130 HydrophobicContact CB-CB 4.05Å; P66-L130 HydrophobicContact CG-CB 4.04Å; P66-S131 WeakPolarHBondContact CD-OG 3.36Å; P66-S131 WeakPolarHBondContact CG-OG 3.43Å; P66-Y143 WeakPolarHBondContact CB-OH 3.25Å; P66-Y143 WeakPolarHBondContact CD-OH 3.2Å
67	G	96.9	Very high	97	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	30.7	176.5	0	0	0	0	0	114.5	A39 F69 F70	A39-G67 PolarHBondContact O-N 3.26Å; G67-F69 PolarHBondContact O-N 2.94Å; G67-F70 WeakPolarHBondContact O-CB 3.41Å; G67-F70 WeakPolarHBondContact O-CD2 3.38Å; G67-F70 PolarHBondContact O-N 2.97Å
68	S	96.3	Very high	96.9	Very high	22 Å²	22	43.8 Å²	43.8	15%	0.154	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-53.5	-25.3	-176.7	63.5	0	0	0	0	115.1	N63 P66 F70 N71	N63-S68 VanDerWaalsContact CG-CB 3.47Å; N63-S68 WeakPolarHBondContact ND2-CB 3.45Å; N63-S68 PolarHBondContact ND2-OG 3.05Å; P66-S68 PolarHBondContact O-N 2.94Å; S68-F70 PolarHBondContact O-N 2.92Å; S68-N71 VanDerWaalsContact O-CB 3.29Å; S68-N71 WeakPolarHBondContact O-CB 3.41Å; S68-N71 PolarHBondContact O-N 2.92Å
69	F	96.3	Very high	96.8	Very high	73 Å²	73	43.6 Å²	43.6	32%	0.32	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-50.2	-39.3	170.4	-178.9	-93.3	0	0	0	111.8	G67 N71 K72 Y73 W183	G67-F69 PolarHBondContact O-N 2.94Å; F69-N71 VanDerWaalsContact C-N 3.27Å; F69-N71 PolarHBondContact O-N 2.88Å; F69-K72 PolarHBondContact O-N 2.87Å; F69-Y73 HydrophobicContact CD1-CD2 4.4Å; F69-Y73 AromaticContact CD2-CD2 3.76Å; F69-Y73 HydrophobicContact CD2-CD2 3.76Å; F69-Y73 HydrophobicContact CD2-CE2 4.39Å; F69-Y73 VanDerWaalsContact CE1-CB 3.45Å; F69-Y73 HydrophobicContact CE1-CD2 4.13Å; F69-Y73 HydrophobicContact CE1-CG 4.13Å; F69-Y73 AromaticContact CE2-CD2 3.44Å; F69-Y73 HydrophobicContact CE2-CD2 3.44Å; F69-Y73 VanDerWaalsContact CE2-CD2 3.44Å; F69-Y73 HydrophobicContact CE2-CE2 4.03Å; F69-Y73 HydrophobicContact CE2-CG 4.09Å; F69-Y73 HydrophobicContact CG-CD2 4.23Å; F69-Y73 AromaticContact CZ-CD2 3.64Å; F69-Y73 HydrophobicContact CZ-CD2 3.64Å; F69-Y73 AromaticContact CZ-CG 3.8Å; F69-Y73 HydrophobicContact CZ-CG 3.8Å; F69-Y73 PolarHBondContact O-N 3.39Å; F69-W183 HydrophobicContact CD2-CB 4.43Å
70	F	97.1	Very high	96.6	Very high	32 Å²	32	45.3 Å²	45.3	14%	0.14	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-75	-12.7	-178	-62.9	-77.7	0	0	0	113.6	P41 G67 S68 K72 Y73 R77 L79 F126 P127	P41-F70 HydrophobicContact CG-CE2 4.03Å; G67-F70 WeakPolarHBondContact O-CB 3.41Å; G67-F70 WeakPolarHBondContact O-CD2 3.38Å; G67-F70 PolarHBondContact O-N 2.97Å; S68-F70 PolarHBondContact O-N 2.92Å; F70-K72 PolarHBondContact O-N 3.08Å; F70-Y73 VanDerWaalsContact CA-O 3.27Å; F70-Y73 WeakPolarHBondContact CA-O 3.46Å; F70-R77 PolarHBondContact O-NH1 3.31Å; F70-R77 PolarHBondContact O-NH2 3.27Å; F70-L79 HydrophobicContact CD1-CD2 4.2Å; F70-L79 HydrophobicContact CE1-CD2 4.24Å; F70-F126 AromaticContact CD1-CD1 3.95Å; F70-F126 HydrophobicContact CD1-CD1 3.95Å; F70-F126 AromaticContact CD2-CD1 3.57Å; F70-F126 HydrophobicContact CD2-CD1 3.57Å; F70-F126 HydrophobicContact CD2-CE1 4.18Å; F70-F126 AromaticContact CE1-CD1 3.74Å; F70-F126 HydrophobicContact CE1-CD1 3.74Å; F70-F126 HydrophobicContact CE1-CE1 4.17Å; F70-F126 AromaticContact CE2-CD1 3.36Å; F70-F126 HydrophobicContact CE2-CD1 3.36Å; F70-F126 AromaticContact CE2-CE1 3.51Å; F70-F126 HydrophobicContact CE2-CE1 3.51Å; F70-F126 HydrophobicContact CG-CB 4.43Å; F70-F126 AromaticContact CG-CD1 3.87Å; F70-F126 HydrophobicContact CG-CD1 3.87Å; F70-F126 AromaticContact CZ-CD1 3.45Å; F70-F126 HydrophobicContact CZ-CD1 3.45Å; F70-F126 VanDerWaalsContact CZ-CD1 3.45Å; F70-F126 AromaticContact CZ-CE1 3.5Å; F70-F126 HydrophobicContact CZ-CE1 3.5Å; F70-P127 HydrophobicContact CB-CG 3.83Å
71	N	96.3	Very high	96.4	Very high	104 Å²	104	46.2 Å²	46.2	56%	0.556	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-67.6	-23.9	172.1	-62.5	-15.1	0	0	0	111.9	S68 F69 P127	S68-N71 VanDerWaalsContact O-CB 3.29Å; S68-N71 WeakPolarHBondContact O-CB 3.41Å; S68-N71 PolarHBondContact O-N 2.92Å; F69-N71 VanDerWaalsContact C-N 3.27Å; F69-N71 PolarHBondContact O-N 2.88Å; N71-P127 WeakPolarHBondContact OD1-CG 3.35Å
72	K	95.9	Very high	96.3	Very high	97 Å²	97	47 Å²	47	42%	0.422	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-36.5	179.6	-173.8	171.6	-179.2	177.3	0	113	F69 F70 E200	F69-K72 PolarHBondContact O-N 2.87Å; F70-K72 PolarHBondContact O-N 3.08Å; K72-E200 WeakPolarHBondContact CE-O 3.49Å; K72-E200 PolarHBondContact NZ-O 3.12Å
73	Y	96.6	Very high	96.1	Very high	20 Å²	20	43.1 Å²	43.1	8%	0.078	23%	0.226	C	C	.	.			trans	-116.6	153.1	-172.3	-59.9	-69.6	0	0	0	113	F69 F70 R75 R77 Y199 E200 F354	F69-Y73 HydrophobicContact CD1-CD2 4.4Å; F69-Y73 AromaticContact CD2-CD2 3.76Å; F69-Y73 HydrophobicContact CD2-CD2 3.76Å; F69-Y73 HydrophobicContact CD2-CE2 4.39Å; F69-Y73 VanDerWaalsContact CE1-CB 3.45Å; F69-Y73 HydrophobicContact CE1-CD2 4.13Å; F69-Y73 HydrophobicContact CE1-CG 4.13Å; F69-Y73 AromaticContact CE2-CD2 3.44Å; F69-Y73 HydrophobicContact CE2-CD2 3.44Å; F69-Y73 VanDerWaalsContact CE2-CD2 3.44Å; F69-Y73 HydrophobicContact CE2-CE2 4.03Å; F69-Y73 HydrophobicContact CE2-CG 4.09Å; F69-Y73 HydrophobicContact CG-CD2 4.23Å; F69-Y73 AromaticContact CZ-CD2 3.64Å; F69-Y73 HydrophobicContact CZ-CD2 3.64Å; F69-Y73 AromaticContact CZ-CG 3.8Å; F69-Y73 HydrophobicContact CZ-CG 3.8Å; F69-Y73 PolarHBondContact O-N 3.39Å; F70-Y73 VanDerWaalsContact CA-O 3.27Å; F70-Y73 WeakPolarHBondContact CA-O 3.46Å; Y73-R75 HydrophobicContact CD1-CG 4.03Å; Y73-R75 HydrophobicContact CE1-CG 4.09Å; Y73-R77 PolarHBondContact O-NH1 3.03Å; Y73-Y199 HydrophobicContact CD1-CD1 4.43Å; Y73-Y199 AromaticContact CD1-CE1 3.56Å; Y73-Y199 HydrophobicContact CD1-CE1 3.56Å; Y73-Y199 AromaticContact CE1-CD1 3.98Å; Y73-Y199 HydrophobicContact CE1-CD1 3.98Å; Y73-Y199 AromaticContact CE1-CE1 3.56Å; Y73-Y199 HydrophobicContact CE1-CE1 3.56Å; Y73-E200 WeakPolarHBondContact OH-CB 3.27Å; Y73-F354 HydrophobicContact CD1-CZ 4.19Å; Y73-F354 HydrophobicContact CE1-CE1 4.4Å; Y73-F354 AromaticContact CE1-CZ 3.68Å; Y73-F354 HydrophobicContact CE1-CZ 3.68Å; Y73-F354 HydrophobicContact CE2-CE1 4.32Å; Y73-F354 HydrophobicContact CE2-CZ 4.18Å; Y73-F354 AromaticContact CZ-CE1 3.94Å; Y73-F354 AromaticContact CZ-CZ 3.66Å
74	P	96.1	Very high	96	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.123	23%	0.23	C	C	.	.	S	Bend	cis	-54.4	150.8	-18.6	23.4	-32.4	0	0	0	111.4	H76 R77 K78 L79 A123 E225	P74-H76 PolarHBondContact O-N 3.04Å; P74-R77 PolarHBondContact O-N 3.38Å; P74-R77 PolarHBondContact O-NH1 2.89Å; P74-K78 WeakPolarHBondContact CG-O 3.32Å; P74-L79 HydrophobicContact CG-CD2 4.24Å; P74-A123 HydrophobicContact CG-CB 4.28Å; P74-E225 WeakPolarHBondContact CB-OE2 3.41Å
75	R	95.8	Very high	95.9	Very high	34 Å²	34	41.6 Å²	41.6	13%	0.128	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.4	-173.9	-70.6	-61	-52.7	-81.7	3.5	111.4	Y73 R77 Y199 E200 I202 T204 E225	Y73-R75 HydrophobicContact CD1-CG 4.03Å; Y73-R75 HydrophobicContact CE1-CG 4.09Å; R75-R77 VanDerWaalsContact C-N 3.26Å; R75-R77 PolarHBondContact O-N 3.39Å; R75-Y199 HydrophobicContact CB-CE2 3.86Å; R75-Y199 HydrophobicContact CG-CD1 4.44Å; R75-Y199 HydrophobicContact CG-CD2 4.07Å; R75-Y199 HydrophobicContact CG-CE1 3.9Å; R75-Y199 HydrophobicContact CG-CE2 3.49Å; R75-Y199 VanDerWaalsContact CG-CE2 3.49Å; R75-Y199 WeakPolarHBondContact CG-O 3.41Å; R75-Y199 PolarHBondContact N-OH 2.87Å; R75-Y199 VanDerWaalsContact N-OH 3.09Å; R75-Y199 PolarHBondContact NH1-O 2.61Å; R75-E200 VanDerWaalsContact NH1-C 3.33Å; R75-E200 PolarHBondContact NH1-O 3.2Å; R75-I202 VanDerWaalsContact CZ-O 3.23Å; R75-I202 PolarHBondContact NH1-O 2.88Å; R75-I202 PolarHBondContact NH2-O 2.86Å; R75-T204 HydrophobicContact CB-CG2 3.84Å; R75-T204 WeakPolarHBondContact O-CG2 3.37Å; R75-E225 PolarHBondContact N-OE1 3.37Å
76	H	93.6	Very high	95.8	Very high	43 Å²	43	48 Å²	48	20%	0.199	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	15.1	-179.9	-53.4	85.3	0	0	0	113.2	P74 K78 E225 S229	P74-H76 PolarHBondContact O-N 3.04Å; H76-K78 PolarHBondContact O-N 2.86Å; H76-E225 IonicContact CE1-OE1 3.29Å; H76-E225 IonicContact CG-OE1 2.6Å; H76-E225 IonicContact ND1-OE1 2.73Å; H76-E225 PolarHBondContact ND1-OE1 2.93Å; H76-S229 WeakPolarHBondContact CD2-CB 3.39Å; H76-S229 PolarHBondContact CD2-OG 3.03Å; H76-S229 VanDerWaalsContact CD2-OG 3.23Å; H76-S229 WeakPolarHBondContact NE2-CB 3.39Å; H76-S229 PolarHBondContact NE2-OG 3.03Å
77	R	95.8	Very high	95.6	Very high	62 Å²	62	49.2 Å²	49.2	23%	0.234	24%	0.235	C	C	.	.	S	Bend	trans	59.5	13.4	167.4	-46	-52.2	-58.6	150.6	-6.5	116.7	F70 Y73 P74 R75 P122 A123 D124	F70-R77 PolarHBondContact O-NH1 3.31Å; F70-R77 PolarHBondContact O-NH2 3.27Å; Y73-R77 PolarHBondContact O-NH1 3.03Å; P74-R77 PolarHBondContact O-N 3.38Å; P74-R77 PolarHBondContact O-NH1 2.89Å; R75-R77 VanDerWaalsContact C-N 3.26Å; R75-R77 PolarHBondContact O-N 3.39Å; R77-P122 CarbonylContact O-C 3.56Å; R77-P122 VanDerWaalsContact O-CA 3.31Å; R77-P122 WeakPolarHBondContact O-CA 3.42Å; R77-A123 PolarHBondContact O-N 3.46Å; R77-D124 IonicContact CZ-OD1 2.67Å; R77-D124 IonicContact CZ-OD2 3.25Å; R77-D124 IonicContact NE-OD1 2.86Å; R77-D124 IonicContact NE-OD2 3.07Å; R77-D124 PolarHBondContact NE-OD2 3.46Å; R77-D124 IonicContact NH2-OD1 3.15Å; R77-D124 PolarHBondContact NH2-OD1 2.9Å; R77-D124 IonicContact NH2-OD2 3.02Å; R77-D124 PolarHBondContact NH2-OD2 3.14Å
78	K	95.5	Very high	95.5	Very high	90 Å²	90	52.8 Å²	52.8	39%	0.391	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-115	123.8	176.1	-171.9	178.3	-174.4	179	0	111.8	P74 H76 V260	P74-K78 WeakPolarHBondContact CG-O 3.32Å; H76-K78 PolarHBondContact O-N 2.86Å; K78-V260 HydrophobicContact CD-CG2 4.15Å
79	L	96.4	Very high	95.3	Very high	10 Å²	10	57 Å²	57	5%	0.052	28%	0.284	C	S	.	.			trans	-74	145.5	176.9	-59.7	-178.1	0	0	0	111.5	F70 P74 P121 A123	F70-L79 HydrophobicContact CD1-CD2 4.2Å; F70-L79 HydrophobicContact CE1-CD2 4.24Å; P74-L79 HydrophobicContact CG-CD2 4.24Å; L79-P121 WeakPolarHBondContact CB-O 3.48Å; L79-P121 HydrophobicContact CD1-CB 4.33Å; L79-P121 PolarHBondContact N-O 3.39Å; L79-A123 HydrophobicContact CD2-CB 4.02Å; L79-A123 HydrophobicContact CG-CB 4.46Å
80	I	95.4	Very high	95.1	Very high	37 Å²	37	62.8 Å²	62.8	19%	0.19	31%	0.312	C	S	.	.			trans	-90.8	-2.8	176.1	67.6	176.6	0	0	0	113.4	N221 R258 V260	I80-N221 HydrophobicContact CD1-CB 3.98Å; I80-R258 HydrophobicContact CB-CB 4.36Å; I80-R258 HydrophobicContact CB-CG 4.07Å; I80-R258 HydrophobicContact CD1-CG 4.01Å; I80-R258 HydrophobicContact CG1-CG 4.35Å; I80-R258 PolarHBondContact O-NE 3.07Å; I80-V260 HydrophobicContact CB-CG1 4.18Å; I80-V260 HydrophobicContact CG2-CG1 3.91Å
81	S	95.3	Very high	95	Very high	19 Å²	19	63.7 Å²	63.7	13%	0.133	32%	0.318	C	S	.	.	S	Bend	trans	-83.3	138.3	-179.9	43	0	0	0	0	111.6	N101	S81-N101 WeakPolarHBondContact CB-OD1 3.29Å; S81-N101 PolarHBondContact OG-OD1 3.02Å
82	I	95	Very high	95	Very high	31 Å²	31	62.1 Å²	62.1	16%	0.159	32%	0.319	C	S	.	.			trans	-77	133.7	179.7	-67.4	170.7	0	0	0	110.4	K84 W100 F119 Y120 R258	I82-K84 HydrophobicContact CG2-CB 3.7Å; I82-W100 HydrophobicContact CB-CD2 3.91Å; I82-W100 HydrophobicContact CB-CE3 4.12Å; I82-W100 HydrophobicContact CB-CG 4.23Å; I82-W100 HydrophobicContact CD1-CH2 4Å; I82-W100 HydrophobicContact CD1-CZ2 4.05Å; I82-W100 HydrophobicContact CD1-CZ3 4.29Å; I82-W100 HydrophobicContact CG1-CD2 4.49Å; I82-W100 HydrophobicContact CG1-CE3 4.31Å; I82-W100 HydrophobicContact CG1-CZ3 4.32Å; I82-W100 WeakPolarHBondContact O-CB 3.37Å; I82-W100 PolarHBondContact O-N 2.76Å; I82-F119 HydrophobicContact CB-CZ 4.27Å; I82-F119 HydrophobicContact CD1-CE1 4.41Å; I82-F119 HydrophobicContact CD1-CZ 4.04Å; I82-F119 HydrophobicContact CG1-CE1 3.9Å; I82-F119 HydrophobicContact CG1-CZ 3.84Å; I82-F119 HydrophobicContact CG2-CD2 4.16Å; I82-F119 HydrophobicContact CG2-CE1 4.18Å; I82-F119 HydrophobicContact CG2-CE2 3.52Å; I82-F119 HydrophobicContact CG2-CZ 3.52Å; I82-Y120 HydrophobicContact CG1-CE1 4.13Å; I82-R258 VanDerWaalsContact CD1-NH2 3.3Å; I82-R258 VanDerWaalsContact CG1-NH2 3.3Å
83	N	94.8	Very high	95	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.011	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-119.4	66.7	171.6	-175.1	42.7	0	0	0	109.7	I85 S116 E118 F119 P121	N83-I85 PolarHBondContact O-N 2.97Å; N83-I85 VanDerWaalsContact O-N 3.14Å; N83-S116 PolarHBondContact ND2-O 2.93Å; N83-E118 VanDerWaalsContact CB-O 3.31Å; N83-E118 WeakPolarHBondContact CB-O 3.41Å; N83-E118 PolarHBondContact ND2-O 2.82Å; N83-E118 VanDerWaalsContact ND2-O 3.1Å; N83-F119 PolarHBondContact N-O 3.48Å; N83-P121 HydrophobicContact CB-CG 3.62Å
84	K	95.2	Very high	94.9	Very high	96 Å²	96	60 Å²	60	42%	0.417	31%	0.312	S	S	.	.			trans	-84.8	92	-178.2	177.5	174.5	-175.2	173.3	0	109.7	I82 H98 F119	I82-K84 HydrophobicContact CG2-CB 3.7Å; K84-H98 HydrophobicContact CB-CB 3.98Å; K84-H98 HydrophobicContact CD-CB 4.45Å; K84-H98 HydrophobicContact CG-CB 4.27Å; K84-H98 PolarHBondContact N-O 3.41Å; K84-F119 HydrophobicContact CB-CD2 4.17Å; K84-F119 HydrophobicContact CB-CE2 3.83Å; K84-F119 HydrophobicContact CD-CE2 4.44Å; K84-F119 HydrophobicContact CG-CE2 4.36Å
85	I	94.5	Very high	95	Very high	51 Å²	51	61.1 Å²	61.1	26%	0.262	32%	0.316	S	S	.	.			trans	-86.6	-19.7	-176.9	65.2	173.1	0	0	0	113.7	N83 K113	N83-I85 PolarHBondContact O-N 2.97Å; N83-I85 VanDerWaalsContact O-N 3.14Å; I85-K113 HydrophobicContact CB-CB 4.42Å; I85-K113 HydrophobicContact CG2-CB 3.64Å
86	H	94.7	Very high	95	Very high	156 Å²	156	60.8 Å²	60.8	72%	0.722	32%	0.317	S	S	*	.			trans	-102.1	82.7	-179.7	-57.5	-62.6	0	0	0	110.4
87	T	94	Very high	95.1	Very high	33 Å²	33	58.9 Å²	58.9	20%	0.202	31%	0.308	C	S	.	.			trans	-96.7	-14.2	-179.4	58.7	0	0	0	0	113.4	R89 N95 H98	T87-R89 PolarHBondContact O-N 2.88Å; T87-R89 PolarHBondContact OG1-N 3.39Å; T87-N95 WeakPolarHBondContact CB-OD1 3.44Å; T87-N95 PolarHBondContact OG1-OD1 3.09Å; T87-H98 HydrophobicContact CG2-CB 3.95Å
88	G	94.6	Very high	95.1	Very high	78 Å²	78	57.8 Å²	57.8	80%	0.804	31%	0.305	S	S	*	.	S	Bend	trans	71.6	11.9	-170	0	0	0	0	0	114
89	R	92.6	Very high	95.1	Very high	109 Å²	109	54 Å²	54	41%	0.411	29%	0.289	S	S	.	.			trans	-118	141.6	-178.1	-63.7	-63.6	-141.2	-147	0.3	112.3	T87 F94 N95 E578	T87-R89 PolarHBondContact O-N 2.88Å; T87-R89 PolarHBondContact OG1-N 3.39Å; R89-F94 HydrophobicContact CB-CD1 3.75Å; R89-F94 HydrophobicContact CB-CE1 4.08Å; R89-F94 HydrophobicContact CG-CD1 3.66Å; R89-F94 HydrophobicContact CG-CE1 3.53Å; R89-F94 HydrophobicContact CG-CZ 4.27Å; R89-N95 PolarHBondContact O-ND2 3.48Å; R89-N95 PolarHBondContact O-OD1 3.36Å; R89-E578 IonicContact CZ-OE1 2.82Å; R89-E578 IonicContact NH1-OE1 2.64Å; R89-E578 VanDerWaalsContact NH2-CD 3.27Å; R89-E578 IonicContact NH2-OE1 2.71Å; R89-E578 PolarHBondContact NH2-OE1 2.88Å
90	H	92.9	Very high	95.2	Very high	196 Å²	196	55 Å²	55	91%	0.907	29%	0.292	S	S	*	.			trans	-86.7	-21.4	175.2	-63.2	-69.3	0	0	0	113.5	A92	H90-A92 PolarHBondContact O-N 3.01Å
91	N	95.1	Very high	95.3	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.273	28%	0.284	S	S	.	.			trans	-67.1	117.3	-179.1	-176.1	-60.2	0	0	0	110.8	E93 F94 N95 E455	N91-E93 PolarHBondContact O-N 2.69Å; N91-E93 WeakPolarHBondContact OD1-CA 3.46Å; N91-E93 PolarHBondContact OD1-N 2.73Å; N91-F94 HydrophobicContact CB-CB 4Å; N91-F94 PolarHBondContact O-N 3.03Å; N91-F94 PolarHBondContact OD1-N 2.89Å; N91-N95 PolarHBondContact O-N 3.05Å; N91-N95 VanDerWaalsContact O-N 3.12Å; N91-N95 PolarHBondContact O-ND2 3.4Å; N91-E455 PolarHBondContact ND2-OE1 2.79Å; N91-E455 PolarHBondContact ND2-OE2 3.44Å; N91-E455 VanDerWaalsContact ND2-OE2 3.11Å
92	A	94.8	Very high	95.4	Very high	71 Å²	71	52.4 Å²	52.4	59%	0.587	28%	0.278	S	S	*	.	H	α-helix	trans	-66	-37.7	-176.5	0	0	0	0	0	113.1	H90 N95 L96	H90-A92 PolarHBondContact O-N 3.01Å; A92-N95 PolarHBondContact O-N 2.8Å; A92-L96 WeakPolarHBondContact O-CG 3.35Å; A92-L96 PolarHBondContact O-N 3.03Å
93	E	95.5	Very high	95.6	Very high	57 Å²	57	51 Å²	51	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-41	179.4	-169.3	175.2	171.6	0	0	111.5	N91 N95 L96 R452 E455 A456 S457	N91-E93 PolarHBondContact O-N 2.69Å; N91-E93 WeakPolarHBondContact OD1-CA 3.46Å; N91-E93 PolarHBondContact OD1-N 2.73Å; E93-N95 VanDerWaalsContact C-N 3.32Å; E93-N95 PolarHBondContact O-N 2.85Å; E93-L96 WeakPolarHBondContact O-CB 3.41Å; E93-L96 PolarHBondContact O-N 2.94Å; E93-R452 IonicContact OE1-CZ 2.67Å; E93-R452 IonicContact OE1-NH1 3.4Å; E93-R452 PolarHBondContact OE1-NH1 2.9Å; E93-R452 IonicContact OE2-NH1 2.73Å; E93-E455 CarbonylContact C-O 3.54Å; E93-A456 WeakPolarHBondContact OE1-CA 3.47Å; E93-S457 WeakPolarHBondContact CG-OG 3.41Å; E93-S457 WeakPolarHBondContact O-CB 3.37Å; E93-S457 PolarHBondContact O-OG 3.11Å
94	F	96.1	Very high	95.8	Very high	16 Å²	16	51.7 Å²	51.7	7%	0.07	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-45.9	173	176.8	-89.1	0	0	0	111.1	R89 N91 L96 R97 H98 G454 E455	R89-F94 HydrophobicContact CB-CD1 3.75Å; R89-F94 HydrophobicContact CB-CE1 4.08Å; R89-F94 HydrophobicContact CG-CD1 3.66Å; R89-F94 HydrophobicContact CG-CE1 3.53Å; R89-F94 HydrophobicContact CG-CZ 4.27Å; N91-F94 HydrophobicContact CB-CB 4Å; N91-F94 PolarHBondContact O-N 3.03Å; N91-F94 PolarHBondContact OD1-N 2.89Å; F94-L96 PolarHBondContact O-N 3.07Å; F94-R97 WeakPolarHBondContact O-CB 3.39Å; F94-R97 VanDerWaalsContact O-CG 3.31Å; F94-R97 WeakPolarHBondContact O-CG 3.43Å; F94-R97 PolarHBondContact O-N 3.04Å; F94-H98 AromaticContact CE1-CD2 3.73Å; F94-H98 AromaticContact CE1-NE2 3.62Å; F94-H98 AromaticContact CZ-NE2 3.56Å; F94-G454 WeakPolarHBondContact CD2-O 3.35Å; F94-E455 WeakPolarHBondContact CA-O 3.46Å; F94-E455 PolarHBondContact N-O 2.88Å
95	N	96.4	Very high	95.9	Very high	41 Å²	41	48.7 Å²	48.7	22%	0.219	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-30.6	-179.4	-70.9	-20.8	0	0	0	112.5	T87 R89 N91 A92 E93 R97 H98 D99	T87-N95 WeakPolarHBondContact CB-OD1 3.44Å; T87-N95 PolarHBondContact OG1-OD1 3.09Å; R89-N95 PolarHBondContact O-ND2 3.48Å; R89-N95 PolarHBondContact O-OD1 3.36Å; N91-N95 PolarHBondContact O-N 3.05Å; N91-N95 VanDerWaalsContact O-N 3.12Å; N91-N95 PolarHBondContact O-ND2 3.4Å; A92-N95 PolarHBondContact O-N 2.8Å; E93-N95 VanDerWaalsContact C-N 3.32Å; E93-N95 PolarHBondContact O-N 2.85Å; N95-R97 PolarHBondContact O-N 3.06Å; N95-H98 PolarHBondContact O-N 2.96Å; N95-D99 PolarHBondContact O-N 3.17Å; N95-D99 VanDerWaalsContact O-N 3.09Å
96	L	96.8	Very high	95.9	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.141	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.1	173.5	-72.6	173	0	0	0	113.5	A92 E93 F94 H98 D99 L104 L111 R416	A92-L96 WeakPolarHBondContact O-CG 3.35Å; A92-L96 PolarHBondContact O-N 3.03Å; E93-L96 WeakPolarHBondContact O-CB 3.41Å; E93-L96 PolarHBondContact O-N 2.94Å; F94-L96 PolarHBondContact O-N 3.07Å; L96-H98 PolarHBondContact O-N 3.18Å; L96-D99 HydrophobicContact CD2-CB 4.4Å; L96-L104 HydrophobicContact CD1-CD2 3.83Å; L96-L111 HydrophobicContact CD2-CD2 4.18Å; L96-R416 PolarHBondContact O-NH2 3.46Å
97	R	96	Very high	96	Very high	3 Å²	3	47 Å²	47	1%	0.011	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.4	169	-63.1	176.1	174.9	-176.2	-3.2	112.6	F94 N95 W100 V453 G454 E455 A456 Y460 Q461	F94-R97 WeakPolarHBondContact O-CB 3.39Å; F94-R97 VanDerWaalsContact O-CG 3.31Å; F94-R97 WeakPolarHBondContact O-CG 3.43Å; F94-R97 PolarHBondContact O-N 3.04Å; N95-R97 PolarHBondContact O-N 3.06Å; R97-W100 PolarHBondContact O-NE1 3.01Å; R97-V453 PolarHBondContact NH2-O 2.83Å; R97-G454 PolarHBondContact NH1-O 3.09Å; R97-G454 VanDerWaalsContact NH2-C 3.31Å; R97-G454 PolarHBondContact NH2-O 3.41Å; R97-E455 VanDerWaalsContact NH2-C 3.3Å; R97-A456 PolarHBondContact NE-O 3.15Å; R97-A456 VanDerWaalsContact NH2-N 3.17Å; R97-A456 PolarHBondContact NH2-O 2.97Å; R97-Y460 HydrophobicContact CB-CD1 4.07Å; R97-Y460 HydrophobicContact CB-CE1 4.19Å; R97-Y460 HydrophobicContact CG-CD1 3.93Å; R97-Y460 HydrophobicContact CG-CD2 4.32Å; R97-Y460 HydrophobicContact CG-CE1 4.41Å; R97-Y460 HydrophobicContact CG-CG 3.88Å; R97-Q461 PolarHBondContact O-NE2 3.21Å
98	H	95.3	Very high	95.8	Very high	39 Å²	39	50.3 Å²	50.3	18%	0.181	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-13.6	-171.4	-60.3	-54.3	0	0	0	112.3	K84 T87 F94 N95 L96	K84-H98 HydrophobicContact CB-CB 3.98Å; K84-H98 HydrophobicContact CD-CB 4.45Å; K84-H98 HydrophobicContact CG-CB 4.27Å; K84-H98 PolarHBondContact N-O 3.41Å; T87-H98 HydrophobicContact CG2-CB 3.95Å; F94-H98 AromaticContact CE1-CD2 3.73Å; F94-H98 AromaticContact CE1-NE2 3.62Å; F94-H98 AromaticContact CZ-NE2 3.56Å; N95-H98 PolarHBondContact O-N 2.96Å; L96-H98 PolarHBondContact O-N 3.18Å
99	D	96.6	Very high	95.7	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.059	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-92.5	105.9	169.3	-179.6	-19.6	0	0	0	110.8	N95 L96 N101 S102 R416	N95-D99 PolarHBondContact O-N 3.17Å; N95-D99 VanDerWaalsContact O-N 3.09Å; L96-D99 HydrophobicContact CD2-CB 4.4Å; D99-N101 PolarHBondContact OD1-N 3.16Å; D99-S102 VanDerWaalsContact CG-OG 3.23Å; D99-S102 PolarHBondContact OD1-N 2.75Å; D99-S102 PolarHBondContact OD1-OG 2.86Å; D99-S102 WeakPolarHBondContact OD2-CB 3.49Å; D99-S102 PolarHBondContact OD2-OG 3.4Å; D99-R416 PolarHBondContact O-NH1 2.96Å; D99-R416 PolarHBondContact O-NH2 2.84Å
100	W	97.3	Very high	96	Very high	30 Å²	30	46 Å²	46	11%	0.114	25%	0.247	C	C	.	.	S	Bend	trans	-91.9	1.3	-176.6	-65.9	6.7	0	0	0	115.7	I82 R97 V254 H413	I82-W100 HydrophobicContact CB-CD2 3.91Å; I82-W100 HydrophobicContact CB-CE3 4.12Å; I82-W100 HydrophobicContact CB-CG 4.23Å; I82-W100 HydrophobicContact CD1-CH2 4Å; I82-W100 HydrophobicContact CD1-CZ2 4.05Å; I82-W100 HydrophobicContact CD1-CZ3 4.29Å; I82-W100 HydrophobicContact CG1-CD2 4.49Å; I82-W100 HydrophobicContact CG1-CE3 4.31Å; I82-W100 HydrophobicContact CG1-CZ3 4.32Å; I82-W100 WeakPolarHBondContact O-CB 3.37Å; I82-W100 PolarHBondContact O-N 2.76Å; R97-W100 PolarHBondContact O-NE1 3.01Å; W100-V254 HydrophobicContact CE3-CG1 4.4Å; W100-V254 HydrophobicContact CH2-CG2 3.65Å; W100-V254 HydrophobicContact CZ3-CB 4.39Å; W100-V254 HydrophobicContact CZ3-CG1 3.73Å; W100-V254 HydrophobicContact CZ3-CG2 3.65Å; W100-H413 HydrophobicContact CB-CB 4.02Å; W100-H413 WeakPolarHBondContact CB-ND1 3.29Å; W100-H413 AromaticContact CD2-CE1 3.69Å; W100-H413 AromaticContact CD2-ND1 3.73Å; W100-H413 AromaticContact CE3-CE1 3.5Å; W100-H413 AromaticContact CE3-ND1 3.88Å; W100-H413 HydrophobicContact CG-CB 4.13Å; W100-H413 AromaticContact CG-CG 3.8Å; W100-H413 AromaticContact CG-ND1 3.55Å
101	N	97.8	Very high	96.2	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	21%	0.213	C	C	.	.	S	Bend	trans	-120.8	-29.4	-167.6	-60	-66.8	0	0	0	112.8	S81 D99 F112 F126 V412	S81-N101 WeakPolarHBondContact CB-OD1 3.29Å; S81-N101 PolarHBondContact OG-OD1 3.02Å; D99-N101 PolarHBondContact OD1-N 3.16Å; N101-F112 HydrophobicContact CB-CB 3.83Å; N101-F112 HydrophobicContact CB-CD1 3.67Å; N101-F112 HydrophobicContact CB-CD2 3.9Å; N101-F112 HydrophobicContact CB-CE1 4.23Å; N101-F112 HydrophobicContact CB-CE2 4.41Å; N101-F112 HydrophobicContact CB-CG 3.48Å; N101-F112 VanDerWaalsContact CB-CG 3.48Å; N101-F126 HydrophobicContact CB-CE2 4.35Å; N101-F126 VanDerWaalsContact O-CE2 3.27Å; N101-F126 WeakPolarHBondContact O-CE2 3.45Å; N101-V412 WeakPolarHBondContact O-CG1 3.2Å
102	S	98.1	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-67.5	141.9	179.9	-64.7	0	0	0	0	113	D99 L111 F112 R416	D99-S102 VanDerWaalsContact CG-OG 3.23Å; D99-S102 PolarHBondContact OD1-N 2.75Å; D99-S102 PolarHBondContact OD1-OG 2.86Å; D99-S102 WeakPolarHBondContact OD2-CB 3.49Å; D99-S102 PolarHBondContact OD2-OG 3.4Å; S102-L111 WeakPolarHBondContact OG-CA 3.37Å; S102-F112 WeakPolarHBondContact OG-CB 3.38Å; S102-F112 PolarHBondContact OG-N 3.26Å; S102-R416 WeakPolarHBondContact O-CD 3.37Å; S102-R416 PolarHBondContact O-NH1 3.25Å
103	L	98.6	Very high	96.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-83.6	157.6	163.2	-62.3	-173.8	0	0	0	110.4	P41 L44 Q45 Y129 L130 F133 V412	P41-L103 HydrophobicContact CB-CD2 4.02Å; P41-L103 WeakPolarHBondContact O-CD1 3.34Å; L44-L103 HydrophobicContact CB-CD1 4.17Å; Q45-L103 HydrophobicContact CB-CD1 4.36Å; Q45-L103 HydrophobicContact CB-CD2 4.19Å; L103-Y129 HydrophobicContact CB-CE1 4.45Å; L103-Y129 HydrophobicContact CG-CE1 4.16Å; L103-Y129 PolarHBondContact N-OH 2.97Å; L103-L130 HydrophobicContact CD1-CD2 3.84Å; L103-L130 HydrophobicContact CG-CD2 4.44Å; L103-F133 HydrophobicContact CB-CD2 4.03Å; L103-F133 HydrophobicContact CB-CE1 4.38Å; L103-F133 HydrophobicContact CB-CE2 3.5Å; L103-F133 VanDerWaalsContact CB-CE2 3.5Å; L103-F133 HydrophobicContact CB-CZ 3.71Å; L103-F133 HydrophobicContact CD1-CD1 4.01Å; L103-F133 HydrophobicContact CD1-CD2 4.42Å; L103-F133 HydrophobicContact CD1-CE1 3.91Å; L103-F133 HydrophobicContact CD1-CE2 4.34Å; L103-F133 HydrophobicContact CD1-CG 4.28Å; L103-F133 HydrophobicContact CD1-CZ 4.09Å; L103-V412 HydrophobicContact CD2-CG1 3.83Å
104	L	98.3	Very high	96.4	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.079	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-77.7	129.3	176.3	-54.5	175.3	0	0	0	109.6	Q45 F48 F49 L96 R416 Y417	Q45-L104 PolarHBondContact NE2-O 3.32Å; F48-L104 VanDerWaalsContact CD1-O 3.22Å; F48-L104 WeakPolarHBondContact CD1-O 3.43Å; F48-L104 WeakPolarHBondContact CE1-O 3.37Å; F49-L104 HydrophobicContact CZ-CB 4.33Å; F49-L104 HydrophobicContact CZ-CD1 4.13Å; L96-L104 HydrophobicContact CD1-CD2 3.83Å; L104-R416 HydrophobicContact CD1-CB 4.44Å; L104-R416 HydrophobicContact CD1-CG 4.27Å; L104-R416 HydrophobicContact CD2-CG 4.41Å; L104-R416 HydrophobicContact CG-CB 4.24Å; L104-R416 HydrophobicContact CG-CG 4.07Å; L104-Y417 HydrophobicContact CD1-CD1 3.98Å; L104-Y417 HydrophobicContact CD1-CE1 4.04Å; L104-Y417 HydrophobicContact CD2-CE1 4.05Å
105	S	97.1	Very high	96.4	Very high	34 Å²	34	41.9 Å²	41.9	24%	0.238	21%	0.213	C	C	.	.			trans	-145.4	173.2	168.7	74.8	0	0	0	0	111.1	K107	S105-K107 PolarHBondContact OG-N 3.22Å; S105-K107 PolarHBondContact OG-O 3.28Å
106	D	95.3	Very high	96.5	Very high	91 Å²	91	40.5 Å²	40.5	49%	0.487	21%	0.206	S	C	.	.	S	Bend	trans	-88.3	-2.3	169.9	45.6	15.5	0	0	0	113.5	K52 P108	K52-D106 IonicContact NZ-OD2 3.69Å; K52-D106 PolarHBondContact NZ-OD2 3.3Å; K52-D106 VanDerWaalsContact NZ-OD2 3.15Å; D106-P108 WeakPolarHBondContact O-CD 3.08Å
107	K	96.1	Very high	96.4	Very high	80 Å²	80	41.7 Å²	41.7	35%	0.348	23%	0.225	S	C	.	.			trans	-89.9	106.2	172.3	-67	-169.8	177.3	-172.9	0	109.2	S105 D109 L110 E136 L137	S105-K107 PolarHBondContact OG-N 3.22Å; S105-K107 PolarHBondContact OG-O 3.28Å; K107-D109 PolarHBondContact O-N 3.33Å; K107-D109 VanDerWaalsContact O-N 3.11Å; K107-L110 HydrophobicContact CB-CB 3.72Å; K107-L110 HydrophobicContact CB-CD2 4.34Å; K107-L110 HydrophobicContact CD-CD2 4.28Å; K107-L110 PolarHBondContact O-N 2.76Å; K107-E136 PolarHBondContact NZ-O 3.35Å; K107-L137 HydrophobicContact CD-CD2 3.99Å; K107-L137 HydrophobicContact CG-CD2 4.23Å
108	P	91.6	Very high	96.5	Very high	102 Å²	102	46.9 Å²	46.9	66%	0.662	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.4	-171.4	25.1	-34.9	0	0	0	113.1	D106 L111	D106-P108 WeakPolarHBondContact O-CD 3.08Å; P108-L111 WeakPolarHBondContact O-CD1 3.4Å
109	D	92.4	Very high	96.5	Very high	97 Å²	97	49.5 Å²	49.5	52%	0.519	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-15.2	-179	-68.3	-39.1	0	0	0	113	K107 L111 R114	K107-D109 PolarHBondContact O-N 3.33Å; K107-D109 VanDerWaalsContact O-N 3.11Å; D109-L111 PolarHBondContact O-N 3.11Å; D109-R114 VanDerWaalsContact C-CZ 3.44Å; D109-R114 VanDerWaalsContact C-NH2 3.29Å; D109-R114 VanDerWaalsContact O-CD 3.23Å; D109-R114 WeakPolarHBondContact O-CD 3.44Å; D109-R114 VanDerWaalsContact O-CG 3.3Å; D109-R114 WeakPolarHBondContact O-CG 3.47Å; D109-R114 VanDerWaalsContact O-CZ 3.29Å; D109-R114 PolarHBondContact O-NE 2.93Å
110	L	97.2	Very high	96.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.267	C	S	.	.			trans	-77.4	58.9	-175.7	-171.7	60.4	0	0	0	111.9	K107 Y129 F133 E136 L137	K107-L110 HydrophobicContact CB-CB 3.72Å; K107-L110 HydrophobicContact CB-CD2 4.34Å; K107-L110 HydrophobicContact CD-CD2 4.28Å; K107-L110 PolarHBondContact O-N 2.76Å; L110-Y129 PolarHBondContact O-OH 2.91Å; L110-F133 HydrophobicContact CD2-CD2 3.72Å; L110-F133 HydrophobicContact CD2-CE2 4.22Å; L110-F133 HydrophobicContact CD2-CG 4.31Å; L110-F133 HydrophobicContact CG-CD2 3.92Å; L110-E136 HydrophobicContact CD2-CB 4.49Å; L110-L137 HydrophobicContact CD2-CD1 3.84Å; L110-L137 HydrophobicContact CD2-CD2 4.04Å; L110-L137 HydrophobicContact CD2-CG 3.8Å
111	L	97.6	Very high	96.5	Very high	37 Å²	37	49.9 Å²	49.9	19%	0.194	26%	0.261	C	S	.	.	S	Bend	trans	-112.4	154	-179.1	-63	174.6	0	0	0	109.6	L96 S102 P108 D109 K113 R114 Y129	L96-L111 HydrophobicContact CD2-CD2 4.18Å; S102-L111 WeakPolarHBondContact OG-CA 3.37Å; P108-L111 WeakPolarHBondContact O-CD1 3.4Å; D109-L111 PolarHBondContact O-N 3.11Å; L111-K113 HydrophobicContact CB-CD 4.41Å; L111-K113 HydrophobicContact CB-CG 3.98Å; L111-K113 HydrophobicContact CD1-CD 4.25Å; L111-K113 PolarHBondContact O-N 3.34Å; L111-K113 VanDerWaalsContact O-N 3.11Å; L111-R114 WeakPolarHBondContact O-CB 3.46Å; L111-R114 PolarHBondContact O-N 3.34Å; L111-Y129 VanDerWaalsContact C-CE2 3.5Å
112	F	98	Very high	96.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26.2	177.9	-175.9	-94.8	0	0	0	112.7	N101 S102 R114 V115 S116 P121 A125 F126 Y129	N101-F112 HydrophobicContact CB-CB 3.83Å; N101-F112 HydrophobicContact CB-CD1 3.67Å; N101-F112 HydrophobicContact CB-CD2 3.9Å; N101-F112 HydrophobicContact CB-CE1 4.23Å; N101-F112 HydrophobicContact CB-CE2 4.41Å; N101-F112 HydrophobicContact CB-CG 3.48Å; N101-F112 VanDerWaalsContact CB-CG 3.48Å; S102-F112 WeakPolarHBondContact OG-CB 3.38Å; S102-F112 PolarHBondContact OG-N 3.26Å; F112-R114 PolarHBondContact O-N 3.22Å; F112-V115 HydrophobicContact CD2-CG2 3.66Å; F112-V115 HydrophobicContact CE1-CG2 4.46Å; F112-V115 HydrophobicContact CE2-CG2 3.61Å; F112-V115 HydrophobicContact CG-CG2 4.15Å; F112-V115 HydrophobicContact CZ-CG2 4.05Å; F112-V115 WeakPolarHBondContact O-CG2 3.46Å; F112-V115 PolarHBondContact O-N 2.78Å; F112-S116 PolarHBondContact O-N 2.96Å; F112-P121 HydrophobicContact CD1-CG 4.36Å; F112-P121 HydrophobicContact CE1-CB 3.54Å; F112-P121 HydrophobicContact CE1-CG 3.37Å; F112-P121 HydrophobicContact CZ-CB 3.67Å; F112-P121 HydrophobicContact CZ-CG 3.97Å; F112-A125 HydrophobicContact CE2-CB 4.12Å; F112-A125 HydrophobicContact CZ-CB 3.78Å; F112-F126 AromaticContact CD2-CD2 3.65Å; F112-F126 HydrophobicContact CD2-CD2 3.65Å; F112-F126 HydrophobicContact CD2-CE2 4.14Å; F112-F126 HydrophobicContact CE2-CB 4.1Å; F112-F126 AromaticContact CE2-CD2 3.55Å; F112-F126 HydrophobicContact CE2-CD2 3.55Å; F112-F126 HydrophobicContact CE2-CE2 4.42Å; F112-F126 HydrophobicContact CE2-CG 4.22Å; F112-Y129 HydrophobicContact CB-CD2 4.41Å; F112-Y129 HydrophobicContact CB-CG 4.4Å; F112-Y129 AromaticContact CD2-CD1 3.96Å; F112-Y129 HydrophobicContact CD2-CD1 3.96Å; F112-Y129 AromaticContact CD2-CG 3.83Å; F112-Y129 HydrophobicContact CD2-CG 3.83Å
113	K	96.2	Very high	96.4	Very high	101 Å²	101	51.8 Å²	51.8	44%	0.439	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-54.8	-22.2	172.9	77.7	-177.9	-176.2	178.7	0	114.3	I85 L111 V115 S116	I85-K113 HydrophobicContact CB-CB 4.42Å; I85-K113 HydrophobicContact CG2-CB 3.64Å; L111-K113 HydrophobicContact CB-CD 4.41Å; L111-K113 HydrophobicContact CB-CG 3.98Å; L111-K113 HydrophobicContact CD1-CD 4.25Å; L111-K113 PolarHBondContact O-N 3.34Å; L111-K113 VanDerWaalsContact O-N 3.11Å; K113-V115 PolarHBondContact O-N 2.83Å; K113-S116 WeakPolarHBondContact CA-O 3.28Å
114	R	95.6	Very high	96.4	Very high	115 Å²	115	55.7 Å²	55.7	43%	0.434	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-64	-30.1	174.8	-74.9	-173.3	174.6	173.5	6	112.8	D109 L111 F112 E136	D109-R114 VanDerWaalsContact C-CZ 3.44Å; D109-R114 VanDerWaalsContact C-NH2 3.29Å; D109-R114 VanDerWaalsContact O-CD 3.23Å; D109-R114 WeakPolarHBondContact O-CD 3.44Å; D109-R114 VanDerWaalsContact O-CG 3.3Å; D109-R114 WeakPolarHBondContact O-CG 3.47Å; D109-R114 VanDerWaalsContact O-CZ 3.29Å; D109-R114 PolarHBondContact O-NE 2.93Å; L111-R114 WeakPolarHBondContact O-CB 3.46Å; L111-R114 PolarHBondContact O-N 3.34Å; F112-R114 PolarHBondContact O-N 3.22Å; R114-E136 IonicContact CZ-OE2 3.67Å; R114-E136 IonicContact NH1-OE1 3.51Å; R114-E136 PolarHBondContact NH1-OE1 3.2Å; R114-E136 IonicContact NH1-OE2 2.89Å; R114-E136 PolarHBondContact NH1-OE2 2.9Å
115	V	96.9	Very high	96.3	Very high	52 Å²	52	55.3 Å²	55.3	32%	0.315	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-23.8	-175.1	-61.7	0	0	0	0	113.1	F112 K113 A125 L128	F112-V115 HydrophobicContact CD2-CG2 3.66Å; F112-V115 HydrophobicContact CE1-CG2 4.46Å; F112-V115 HydrophobicContact CE2-CG2 3.61Å; F112-V115 HydrophobicContact CG-CG2 4.15Å; F112-V115 HydrophobicContact CZ-CG2 4.05Å; F112-V115 WeakPolarHBondContact O-CG2 3.46Å; F112-V115 PolarHBondContact O-N 2.78Å; K113-V115 PolarHBondContact O-N 2.83Å; V115-A125 HydrophobicContact CB-CB 4.44Å; V115-A125 HydrophobicContact CG2-CB 4.06Å; V115-A125 WeakPolarHBondContact CG2-O 3.41Å; V115-L128 HydrophobicContact CG1-CB 4.29Å
116	S	96.9	Very high	96.4	Very high	11 Å²	11	53.8 Å²	53.8	8%	0.077	28%	0.283	C	S	.	.			trans	-151.6	132.3	175.4	-178.1	0	0	0	0	112	N83 F112 K113 E118	N83-S116 PolarHBondContact ND2-O 2.93Å; F112-S116 PolarHBondContact O-N 2.96Å; K113-S116 WeakPolarHBondContact CA-O 3.28Å; S116-E118 PolarHBondContact OG-N 2.88Å
117	G	96.3	Very high	96.5	Very high	53 Å²	53	50.1 Å²	50.1	55%	0.546	26%	0.264	S	S	.	.			trans	-95	-1.7	171.4	0	0	0	0	0	114.3
118	E	96.9	Very high	96.6	Very high	111 Å²	111	51.8 Å²	51.8	52%	0.519	28%	0.276	S	S	.	.			trans	-73.3	146.8	-177.6	-69.1	-179.9	-138	0	0	111.5	N83 S116	N83-E118 VanDerWaalsContact CB-O 3.31Å; N83-E118 WeakPolarHBondContact CB-O 3.41Å; N83-E118 PolarHBondContact ND2-O 2.82Å; N83-E118 VanDerWaalsContact ND2-O 3.1Å; S116-E118 PolarHBondContact OG-N 2.88Å
119	F	96.4	Very high	97	Very high	95 Å²	95	47 Å²	47	42%	0.417	25%	0.245	S	C	.	.	S	Bend	trans	-68.7	-35.9	178.5	-174.4	-95.8	0	0	0	113	I82 N83 K84	I82-F119 HydrophobicContact CB-CZ 4.27Å; I82-F119 HydrophobicContact CD1-CE1 4.41Å; I82-F119 HydrophobicContact CD1-CZ 4.04Å; I82-F119 HydrophobicContact CG1-CE1 3.9Å; I82-F119 HydrophobicContact CG1-CZ 3.84Å; I82-F119 HydrophobicContact CG2-CD2 4.16Å; I82-F119 HydrophobicContact CG2-CE1 4.18Å; I82-F119 HydrophobicContact CG2-CE2 3.52Å; I82-F119 HydrophobicContact CG2-CZ 3.52Å; N83-F119 PolarHBondContact N-O 3.48Å; K84-F119 HydrophobicContact CB-CD2 4.17Å; K84-F119 HydrophobicContact CB-CE2 3.83Å; K84-F119 HydrophobicContact CD-CE2 4.44Å; K84-F119 HydrophobicContact CG-CE2 4.36Å
120	Y	96.1	Very high	97.3	Very high	49 Å²	49	42.4 Å²	42.4	19%	0.192	22%	0.22	C	C	.	.	S	Bend	trans	-119.3	90.7	169.8	-72.3	-63.2	0	0	0	108.7	I82 V260	I82-Y120 HydrophobicContact CG1-CE1 4.13Å; Y120-V260 HydrophobicContact CD1-CB 4.45Å; Y120-V260 HydrophobicContact CD1-CG2 4.34Å; Y120-V260 HydrophobicContact CD2-CB 4.24Å; Y120-V260 HydrophobicContact CD2-CG2 3.79Å; Y120-V260 HydrophobicContact CE1-CB 4.21Å; Y120-V260 HydrophobicContact CE1-CG1 4.35Å; Y120-V260 HydrophobicContact CE2-CB 3.97Å; Y120-V260 HydrophobicContact CE2-CG2 4.03Å; Y120-V260 HydrophobicContact CG-CB 4.47Å; Y120-V260 HydrophobicContact CG-CG2 3.97Å
121	P	96.8	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.			trans	-66.7	156.5	-168.3	-20.4	31.5	0	0	0	114.2	L79 N83 F112	L79-P121 WeakPolarHBondContact CB-O 3.48Å; L79-P121 HydrophobicContact CD1-CB 4.33Å; L79-P121 PolarHBondContact N-O 3.39Å; N83-P121 HydrophobicContact CB-CG 3.62Å; F112-P121 HydrophobicContact CD1-CG 4.36Å; F112-P121 HydrophobicContact CE1-CB 3.54Å; F112-P121 HydrophobicContact CE1-CG 3.37Å; F112-P121 HydrophobicContact CZ-CB 3.67Å; F112-P121 HydrophobicContact CZ-CG 3.97Å
122	P	97.3	Very high	97.4	Very high	42 Å²	42	43.6 Å²	43.6	27%	0.273	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-66	146.2	165.6	28.8	-34	0	0	0	110.8	R77 D124 A125	R77-P122 CarbonylContact O-C 3.56Å; R77-P122 VanDerWaalsContact O-CA 3.31Å; R77-P122 WeakPolarHBondContact O-CA 3.42Å; P122-D124 VanDerWaalsContact C-N 3.26Å; P122-D124 PolarHBondContact O-N 3.49Å; P122-A125 HydrophobicContact CG-CB 4.24Å; P122-A125 WeakPolarHBondContact O-CB 3.28Å; P122-A125 PolarHBondContact O-N 3.1Å
123	A	97.3	Very high	97.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.1	-179	0	0	0	0	0	112.4	P74 R77 L79 A125 F126 P127	P74-A123 HydrophobicContact CG-CB 4.28Å; R77-A123 PolarHBondContact O-N 3.46Å; L79-A123 HydrophobicContact CD2-CB 4.02Å; L79-A123 HydrophobicContact CG-CB 4.46Å; A123-A125 PolarHBondContact O-N 2.93Å; A123-F126 PolarHBondContact O-N 3.13Å; A123-F126 VanDerWaalsContact O-N 3.11Å; A123-P127 VanDerWaalsContact O-CD 3.25Å; A123-P127 WeakPolarHBondContact O-CD 3.45Å
124	D	97.3	Very high	97.5	Very high	85 Å²	85	40.1 Å²	40.1	46%	0.455	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.8	-179.8	-61	-68.5	0	0	0	113.4	R77 P122 F126	R77-D124 IonicContact CZ-OD1 2.67Å; R77-D124 IonicContact CZ-OD2 3.25Å; R77-D124 IonicContact NE-OD1 2.86Å; R77-D124 IonicContact NE-OD2 3.07Å; R77-D124 PolarHBondContact NE-OD2 3.46Å; R77-D124 IonicContact NH2-OD1 3.15Å; R77-D124 PolarHBondContact NH2-OD1 2.9Å; R77-D124 IonicContact NH2-OD2 3.02Å; R77-D124 PolarHBondContact NH2-OD2 3.14Å; P122-D124 VanDerWaalsContact C-N 3.26Å; P122-D124 PolarHBondContact O-N 3.49Å; D124-F126 PolarHBondContact O-N 2.96Å
125	A	97.9	Very high	97.6	Very high	7 Å²	7	43.5 Å²	43.5	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-25.9	175.7	0	0	0	0	0	112.2	F112 V115 P122 A123 L128 Y129	F112-A125 HydrophobicContact CE2-CB 4.12Å; F112-A125 HydrophobicContact CZ-CB 3.78Å; V115-A125 HydrophobicContact CB-CB 4.44Å; V115-A125 HydrophobicContact CG2-CB 4.06Å; V115-A125 WeakPolarHBondContact CG2-O 3.41Å; P122-A125 HydrophobicContact CG-CB 4.24Å; P122-A125 WeakPolarHBondContact O-CB 3.28Å; P122-A125 PolarHBondContact O-N 3.1Å; A123-A125 PolarHBondContact O-N 2.93Å; A125-L128 WeakPolarHBondContact O-CB 3.49Å; A125-L128 PolarHBondContact O-N 2.86Å; A125-Y129 PolarHBondContact O-N 3.49Å; A125-Y129 VanDerWaalsContact O-N 3.08Å
126	F	97.8	Very high	97.7	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-75.1	-45.4	-170.5	-155.7	-147	0	0	0	114.5	P41 F70 N101 F112 A123 D124 L128 Y129 L130 V412	P41-F126 HydrophobicContact CB-CE1 4.45Å; P41-F126 HydrophobicContact CB-CZ 4.21Å; P41-F126 HydrophobicContact CG-CE1 3.56Å; P41-F126 HydrophobicContact CG-CZ 3.78Å; F70-F126 AromaticContact CD1-CD1 3.95Å; F70-F126 HydrophobicContact CD1-CD1 3.95Å; F70-F126 AromaticContact CD2-CD1 3.57Å; F70-F126 HydrophobicContact CD2-CD1 3.57Å; F70-F126 HydrophobicContact CD2-CE1 4.18Å; F70-F126 AromaticContact CE1-CD1 3.74Å; F70-F126 HydrophobicContact CE1-CD1 3.74Å; F70-F126 HydrophobicContact CE1-CE1 4.17Å; F70-F126 AromaticContact CE2-CD1 3.36Å; F70-F126 HydrophobicContact CE2-CD1 3.36Å; F70-F126 AromaticContact CE2-CE1 3.51Å; F70-F126 HydrophobicContact CE2-CE1 3.51Å; F70-F126 HydrophobicContact CG-CB 4.43Å; F70-F126 AromaticContact CG-CD1 3.87Å; F70-F126 HydrophobicContact CG-CD1 3.87Å; F70-F126 AromaticContact CZ-CD1 3.45Å; F70-F126 HydrophobicContact CZ-CD1 3.45Å; F70-F126 VanDerWaalsContact CZ-CD1 3.45Å; F70-F126 AromaticContact CZ-CE1 3.5Å; F70-F126 HydrophobicContact CZ-CE1 3.5Å; N101-F126 HydrophobicContact CB-CE2 4.35Å; N101-F126 VanDerWaalsContact O-CE2 3.27Å; N101-F126 WeakPolarHBondContact O-CE2 3.45Å; F112-F126 AromaticContact CD2-CD2 3.65Å; F112-F126 HydrophobicContact CD2-CD2 3.65Å; F112-F126 HydrophobicContact CD2-CE2 4.14Å; F112-F126 HydrophobicContact CE2-CB 4.1Å; F112-F126 AromaticContact CE2-CD2 3.55Å; F112-F126 HydrophobicContact CE2-CD2 3.55Å; F112-F126 HydrophobicContact CE2-CE2 4.42Å; F112-F126 HydrophobicContact CE2-CG 4.22Å; A123-F126 PolarHBondContact O-N 3.13Å; A123-F126 VanDerWaalsContact O-N 3.11Å; D124-F126 PolarHBondContact O-N 2.96Å; F126-L128 PolarHBondContact O-N 3.04Å; F126-Y129 AromaticContact CD2-CD1 3.87Å; F126-Y129 HydrophobicContact CD2-CD1 3.87Å; F126-Y129 AromaticContact CE2-CD1 3.69Å; F126-Y129 HydrophobicContact CE2-CD1 3.69Å; F126-Y129 HydrophobicContact CE2-CE1 4.17Å; F126-Y129 WeakPolarHBondContact O-CB 3.49Å; F126-Y129 PolarHBondContact O-N 3.14Å; F126-L130 HydrophobicContact CD1-CD1 4.43Å; F126-L130 HydrophobicContact CD2-CG 4.46Å; F126-L130 HydrophobicContact CE1-CD1 4.48Å; F126-L130 HydrophobicContact CE2-CD2 4.29Å; F126-L130 HydrophobicContact CE2-CG 4.46Å; F126-L130 HydrophobicContact CZ-CD2 4.4Å; F126-L130 WeakPolarHBondContact O-CG 3.3Å; F126-L130 PolarHBondContact O-N 2.95Å; F126-V412 HydrophobicContact CE1-CG2 3.99Å; F126-V412 HydrophobicContact CZ-CG1 4.34Å; F126-V412 HydrophobicContact CZ-CG2 3.75Å
127	P	98.2	Very high	97.7	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-55.5	-36.9	168.9	-27.3	35.9	0	0	0	113.6	F70 N71 A123 L130 S131	F70-P127 HydrophobicContact CB-CG 3.83Å; N71-P127 WeakPolarHBondContact OD1-CG 3.35Å; A123-P127 VanDerWaalsContact O-CD 3.25Å; A123-P127 WeakPolarHBondContact O-CD 3.45Å; P127-L130 PolarHBondContact O-N 3.49Å; P127-S131 WeakPolarHBondContact O-CB 3.25Å; P127-S131 PolarHBondContact O-N 3.46Å; P127-S131 PolarHBondContact O-OG 3.08Å
128	L	98.3	Very high	97.8	Very high	115 Å²	115	44.8 Å²	44.8	60%	0.602	23%	0.233	S	C	*	.	H	α-helix	trans	-63	-45.7	176.3	-61.1	176.8	0	0	0	111.5	V115 A125 F126 S131 A132	V115-L128 HydrophobicContact CG1-CB 4.29Å; A125-L128 WeakPolarHBondContact O-CB 3.49Å; A125-L128 PolarHBondContact O-N 2.86Å; F126-L128 PolarHBondContact O-N 3.04Å; L128-S131 PolarHBondContact O-N 3.19Å; L128-A132 PolarHBondContact O-N 2.91Å
129	Y	98.6	Very high	97.9	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-47.5	174.9	169.1	-112.6	0	0	0	112.2	L103 L110 L111 F112 A125 F126 S131 A132 F133	L103-Y129 HydrophobicContact CB-CE1 4.45Å; L103-Y129 HydrophobicContact CG-CE1 4.16Å; L103-Y129 PolarHBondContact N-OH 2.97Å; L110-Y129 PolarHBondContact O-OH 2.91Å; L111-Y129 VanDerWaalsContact C-CE2 3.5Å; F112-Y129 HydrophobicContact CB-CD2 4.41Å; F112-Y129 HydrophobicContact CB-CG 4.4Å; F112-Y129 AromaticContact CD2-CD1 3.96Å; F112-Y129 HydrophobicContact CD2-CD1 3.96Å; F112-Y129 AromaticContact CD2-CG 3.83Å; F112-Y129 HydrophobicContact CD2-CG 3.83Å; A125-Y129 PolarHBondContact O-N 3.49Å; A125-Y129 VanDerWaalsContact O-N 3.08Å; F126-Y129 AromaticContact CD2-CD1 3.87Å; F126-Y129 HydrophobicContact CD2-CD1 3.87Å; F126-Y129 AromaticContact CE2-CD1 3.69Å; F126-Y129 HydrophobicContact CE2-CD1 3.69Å; F126-Y129 HydrophobicContact CE2-CE1 4.17Å; F126-Y129 WeakPolarHBondContact O-CB 3.49Å; F126-Y129 PolarHBondContact O-N 3.14Å; Y129-S131 VanDerWaalsContact C-N 3.31Å; Y129-S131 PolarHBondContact O-N 3.21Å; Y129-A132 PolarHBondContact O-N 2.67Å; Y129-F133 WeakPolarHBondContact O-CB 3.32Å; Y129-F133 PolarHBondContact O-N 3.36Å
130	L	98.7	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-36.6	-178.8	-64.8	174	0	0	0	111.9	P41 L44 P66 L103 F126 P127 F133 E134	P41-L130 HydrophobicContact CB-CD2 4.19Å; P41-L130 HydrophobicContact CG-CD1 3.96Å; P41-L130 HydrophobicContact CG-CD2 4.25Å; L44-L130 HydrophobicContact CD1-CB 3.82Å; L44-L130 HydrophobicContact CD1-CD2 4.11Å; L44-L130 HydrophobicContact CD1-CG 4.44Å; P66-L130 HydrophobicContact CB-CB 4.05Å; P66-L130 HydrophobicContact CG-CB 4.04Å; L103-L130 HydrophobicContact CD1-CD2 3.84Å; L103-L130 HydrophobicContact CG-CD2 4.44Å; F126-L130 HydrophobicContact CD1-CD1 4.43Å; F126-L130 HydrophobicContact CD2-CG 4.46Å; F126-L130 HydrophobicContact CE1-CD1 4.48Å; F126-L130 HydrophobicContact CE2-CD2 4.29Å; F126-L130 HydrophobicContact CE2-CG 4.46Å; F126-L130 HydrophobicContact CZ-CD2 4.4Å; F126-L130 WeakPolarHBondContact O-CG 3.3Å; F126-L130 PolarHBondContact O-N 2.95Å; P127-L130 PolarHBondContact O-N 3.49Å; L130-F133 WeakPolarHBondContact O-CB 3.48Å; L130-F133 PolarHBondContact O-N 3.2Å; L130-E134 WeakPolarHBondContact O-CB 3.43Å; L130-E134 PolarHBondContact O-N 3.29Å
131	S	98.5	Very high	98.1	Very high	45 Å²	45	39.8 Å²	39.8	32%	0.315	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-42.6	174.1	-57.4	0	0	0	0	111.7	P66 P127 L128 Y129 R135	P66-S131 WeakPolarHBondContact CD-OG 3.36Å; P66-S131 WeakPolarHBondContact CG-OG 3.43Å; P127-S131 WeakPolarHBondContact O-CB 3.25Å; P127-S131 PolarHBondContact O-N 3.46Å; P127-S131 PolarHBondContact O-OG 3.08Å; L128-S131 PolarHBondContact O-N 3.19Å; Y129-S131 VanDerWaalsContact C-N 3.31Å; Y129-S131 PolarHBondContact O-N 3.21Å; S131-R135 VanDerWaalsContact O-CB 3.29Å; S131-R135 WeakPolarHBondContact O-CB 3.42Å; S131-R135 PolarHBondContact O-N 3.19Å; S131-R135 VanDerWaalsContact O-N 3.07Å
132	A	98.4	Very high	98.2	Very high	16 Å²	16	44.3 Å²	44.3	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-41.6	173.4	0	0	0	0	0	111.4	L128 Y129 R135 E136	L128-A132 PolarHBondContact O-N 2.91Å; Y129-A132 PolarHBondContact O-N 2.67Å; A132-R135 PolarHBondContact O-N 3.15Å; A132-E136 VanDerWaalsContact O-CB 3.24Å; A132-E136 WeakPolarHBondContact O-CB 3.4Å; A132-E136 WeakPolarHBondContact O-CG 3.17Å; A132-E136 PolarHBondContact O-N 3.31Å
133	F	98.7	Very high	98.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-48.7	179.2	-171	-87.8	0	0	0	112.2	L44 F48 L103 L110 Y129 L130 L137 L139	L44-F133 HydrophobicContact CB-CD1 4.24Å; L44-F133 HydrophobicContact CB-CE1 4.42Å; F48-F133 HydrophobicContact CB-CE1 3.96Å; F48-F133 HydrophobicContact CB-CZ 4.02Å; F48-F133 HydrophobicContact CG-CZ 4.31Å; L103-F133 HydrophobicContact CB-CD2 4.03Å; L103-F133 HydrophobicContact CB-CE1 4.38Å; L103-F133 HydrophobicContact CB-CE2 3.5Å; L103-F133 VanDerWaalsContact CB-CE2 3.5Å; L103-F133 HydrophobicContact CB-CZ 3.71Å; L103-F133 HydrophobicContact CD1-CD1 4.01Å; L103-F133 HydrophobicContact CD1-CD2 4.42Å; L103-F133 HydrophobicContact CD1-CE1 3.91Å; L103-F133 HydrophobicContact CD1-CE2 4.34Å; L103-F133 HydrophobicContact CD1-CG 4.28Å; L103-F133 HydrophobicContact CD1-CZ 4.09Å; L110-F133 HydrophobicContact CD2-CD2 3.72Å; L110-F133 HydrophobicContact CD2-CE2 4.22Å; L110-F133 HydrophobicContact CD2-CG 4.31Å; L110-F133 HydrophobicContact CG-CD2 3.92Å; Y129-F133 WeakPolarHBondContact O-CB 3.32Å; Y129-F133 PolarHBondContact O-N 3.36Å; L130-F133 WeakPolarHBondContact O-CB 3.48Å; L130-F133 PolarHBondContact O-N 3.2Å; F133-L137 HydrophobicContact CD1-CD1 3.77Å; F133-L137 HydrophobicContact CD2-CD1 3.96Å; F133-L137 HydrophobicContact CE1-CD1 3.46Å; F133-L137 VanDerWaalsContact CE1-CD1 3.46Å; F133-L137 HydrophobicContact CE2-CD1 3.66Å; F133-L137 HydrophobicContact CG-CD1 4Å; F133-L137 HydrophobicContact CZ-CD1 3.4Å; F133-L137 VanDerWaalsContact O-CB 3.3Å; F133-L137 WeakPolarHBondContact O-CB 3.45Å; F133-L137 WeakPolarHBondContact O-CD1 3.26Å; F133-L137 VanDerWaalsContact O-CG 3.25Å; F133-L137 WeakPolarHBondContact O-CG 3.23Å; F133-L137 PolarHBondContact O-N 2.88Å; F133-L139 HydrophobicContact CD1-CD1 4.15Å; F133-L139 HydrophobicContact CE1-CD1 4.15Å
134	E	98.5	Very high	98.3	Very high	28 Å²	28	47.2 Å²	47.2	13%	0.131	25%	0.25	C	S	.	.	H	α-helix	trans	-61	-53	176.1	176.2	-166.2	173.1	0	0	112.2	L44 L130 L137 G138 L139 V141 Y143	L44-E134 HydrophobicContact CD1-CB 4.42Å; L44-E134 HydrophobicContact CD2-CB 4.29Å; L44-E134 HydrophobicContact CD2-CG 4.45Å; L130-E134 WeakPolarHBondContact O-CB 3.43Å; L130-E134 PolarHBondContact O-N 3.29Å; E134-L137 PolarHBondContact O-N 3.07Å; E134-G138 PolarHBondContact O-N 3.43Å; E134-L139 HydrophobicContact CG-CB 4.15Å; E134-L139 PolarHBondContact O-N 2.69Å; E134-L139 VanDerWaalsContact O-N 3.12Å; E134-V141 HydrophobicContact CG-CG2 3.84Å; E134-V141 VanDerWaalsContact OE1-CB 3.32Å; E134-V141 WeakPolarHBondContact OE1-CB 3.44Å; E134-V141 VanDerWaalsContact OE1-CG2 3.29Å; E134-V141 WeakPolarHBondContact OE1-CG2 3.42Å; E134-Y143 VanDerWaalsContact OE1-CE2 3.28Å; E134-Y143 WeakPolarHBondContact OE1-CE2 3.33Å; E134-Y143 PolarHBondContact OE1-OH 2.94Å; E134-Y143 PolarHBondContact OE2-OH 3.26Å
135	R	98.1	Very high	98.3	Very high	187 Å²	187	43.4 Å²	43.4	71%	0.706	23%	0.23	S	C	*	.	H	α-helix	trans	-63.1	-48.1	-175.2	-178.4	-176.3	64.5	-156.2	-2.8	111.9	S131 A132 L137 G138	S131-R135 VanDerWaalsContact O-CB 3.29Å; S131-R135 WeakPolarHBondContact O-CB 3.42Å; S131-R135 PolarHBondContact O-N 3.19Å; S131-R135 VanDerWaalsContact O-N 3.07Å; A132-R135 PolarHBondContact O-N 3.15Å; R135-L137 VanDerWaalsContact C-N 3.27Å; R135-L137 PolarHBondContact O-N 3.07Å; R135-G138 PolarHBondContact O-N 3.09Å
136	E	98.2	Very high	98.3	Very high	64 Å²	64	46.5 Å²	46.5	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-70.6	-23.9	-176.4	-73.6	-174.8	-141.2	0	0	112.9	K107 L110 R114 A132	K107-E136 PolarHBondContact NZ-O 3.35Å; L110-E136 HydrophobicContact CD2-CB 4.49Å; R114-E136 IonicContact CZ-OE2 3.67Å; R114-E136 IonicContact NH1-OE1 3.51Å; R114-E136 PolarHBondContact NH1-OE1 3.2Å; R114-E136 IonicContact NH1-OE2 2.89Å; R114-E136 PolarHBondContact NH1-OE2 2.9Å; A132-E136 VanDerWaalsContact O-CB 3.24Å; A132-E136 WeakPolarHBondContact O-CB 3.4Å; A132-E136 WeakPolarHBondContact O-CG 3.17Å; A132-E136 PolarHBondContact O-N 3.31Å
137	L	98.3	Very high	98.3	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-98.6	0.3	177.5	-59.2	174.1	0	0	0	112.9	F48 K107 L110 F133 E134 R135 L139	F48-L137 HydrophobicContact CB-CD1 4.3Å; F48-L137 HydrophobicContact CD2-CD1 3.74Å; F48-L137 HydrophobicContact CD2-CD2 4.37Å; F48-L137 HydrophobicContact CE2-CD1 4.45Å; F48-L137 HydrophobicContact CE2-CD2 4.47Å; F48-L137 HydrophobicContact CG-CD1 4.23Å; K107-L137 HydrophobicContact CD-CD2 3.99Å; K107-L137 HydrophobicContact CG-CD2 4.23Å; L110-L137 HydrophobicContact CD2-CD1 3.84Å; L110-L137 HydrophobicContact CD2-CD2 4.04Å; L110-L137 HydrophobicContact CD2-CG 3.8Å; F133-L137 HydrophobicContact CD1-CD1 3.77Å; F133-L137 HydrophobicContact CD2-CD1 3.96Å; F133-L137 HydrophobicContact CE1-CD1 3.46Å; F133-L137 VanDerWaalsContact CE1-CD1 3.46Å; F133-L137 HydrophobicContact CE2-CD1 3.66Å; F133-L137 HydrophobicContact CG-CD1 4Å; F133-L137 HydrophobicContact CZ-CD1 3.4Å; F133-L137 VanDerWaalsContact O-CB 3.3Å; F133-L137 WeakPolarHBondContact O-CB 3.45Å; F133-L137 WeakPolarHBondContact O-CD1 3.26Å; F133-L137 VanDerWaalsContact O-CG 3.25Å; F133-L137 WeakPolarHBondContact O-CG 3.23Å; F133-L137 PolarHBondContact O-N 2.88Å; E134-L137 PolarHBondContact O-N 3.07Å; R135-L137 VanDerWaalsContact C-N 3.27Å; R135-L137 PolarHBondContact O-N 3.07Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-L139 HydrophobicContact CB-CD2 3.87Å; L137-L139 HydrophobicContact CB-CG 4.07Å; L137-L139 PolarHBondContact O-N 2.87Å
138	G	97.7	Very high	98.2	Very high	54 Å²	54	48.4 Å²	48.4	56%	0.557	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	40	176.8	0	0	0	0	0	113.2	E134 R135	E134-G138 PolarHBondContact O-N 3.43Å; R135-G138 PolarHBondContact O-N 3.09Å
139	L	98.6	Very high	98.1	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.068	26%	0.262	C	S	.	.			trans	-72.9	139.8	-176.2	-51.4	-175.6	0	0	0	111.2	L44 F48 Y57 I59 F133 E134 L137 V141	L44-L139 HydrophobicContact CB-CD1 4.28Å; L44-L139 HydrophobicContact CD2-CD1 4.11Å; F48-L139 HydrophobicContact CB-CD2 4.4Å; Y57-L139 WeakPolarHBondContact OH-CA 3.19Å; I59-L139 HydrophobicContact CD1-CB 4.41Å; F133-L139 HydrophobicContact CD1-CD1 4.15Å; F133-L139 HydrophobicContact CE1-CD1 4.15Å; E134-L139 HydrophobicContact CG-CB 4.15Å; E134-L139 PolarHBondContact O-N 2.69Å; E134-L139 VanDerWaalsContact O-N 3.12Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-L139 HydrophobicContact CB-CD2 3.87Å; L137-L139 HydrophobicContact CB-CG 4.07Å; L137-L139 PolarHBondContact O-N 2.87Å; L139-V141 HydrophobicContact CB-CG2 4.45Å; L139-V141 PolarHBondContact O-N 3.41Å; L139-V141 VanDerWaalsContact O-N 3.12Å
140	K	98.4	Very high	98.1	Very high	110 Å²	110	49 Å²	49	48%	0.478	26%	0.262	S	S	.	.			trans	-80	90.2	178.6	-62.1	176.7	-179.7	177.8	0	111.2	Y57 I58 I59	Y57-K140 HydrophobicContact CE1-CD 4.38Å; Y57-K140 HydrophobicContact CE2-CB 4.17Å; Y57-K140 WeakPolarHBondContact O-CD 3.45Å; Y57-K140 PolarHBondContact OH-N 3.22Å; I58-K140 HydrophobicContact CD1-CB 4.27Å; I59-K140 WeakPolarHBondContact CB-O 3.41Å; I59-K140 PolarHBondContact N-O 3.09Å
141	V	98.6	Very high	98	Very high	27 Å²	27	53.3 Å²	53.3	16%	0.164	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.7	174.8	-170.4	0	0	0	0	110.2	A39 L44 I59 E61 E134 L139 Y143	A39-V141 HydrophobicContact CB-CG1 3.83Å; L44-V141 HydrophobicContact CD2-CG2 3.99Å; I59-V141 HydrophobicContact CB-CB 4.39Å; I59-V141 HydrophobicContact CB-CG1 4.32Å; I59-V141 HydrophobicContact CB-CG2 4.06Å; I59-V141 HydrophobicContact CD1-CG2 3.78Å; I59-V141 HydrophobicContact CG2-CG1 4.18Å; I59-V141 HydrophobicContact CG2-CG2 4.33Å; I59-V141 CarbonylContact O-C 3.46Å; I59-V141 WeakPolarHBondContact O-CA 3.42Å; E61-V141 HydrophobicContact CB-CG1 4.26Å; E134-V141 HydrophobicContact CG-CG2 3.84Å; E134-V141 VanDerWaalsContact OE1-CB 3.32Å; E134-V141 WeakPolarHBondContact OE1-CB 3.44Å; E134-V141 VanDerWaalsContact OE1-CG2 3.29Å; E134-V141 WeakPolarHBondContact OE1-CG2 3.42Å; L139-V141 HydrophobicContact CB-CG2 4.45Å; L139-V141 PolarHBondContact O-N 3.41Å; L139-V141 VanDerWaalsContact O-N 3.12Å; V141-Y143 HydrophobicContact CB-CE2 4.03Å; V141-Y143 HydrophobicContact CG1-CD1 4.11Å; V141-Y143 HydrophobicContact CG1-CD2 4.18Å; V141-Y143 HydrophobicContact CG1-CE1 3.7Å; V141-Y143 HydrophobicContact CG1-CE2 3.77Å; V141-Y143 HydrophobicContact CG1-CG 4.34Å
142	K	98.4	Very high	97.8	Very high	95 Å²	95	52.7 Å²	52.7	41%	0.413	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	111.6	168.9	-167.4	177	179.3	-179	0	108.8	I58 I59 L60 E61 V145 Y171	I58-K142 HydrophobicContact CD1-CB 4.19Å; I58-K142 HydrophobicContact CG1-CB 4.45Å; I59-K142 PolarHBondContact O-N 3.11Å; L60-K142 HydrophobicContact CD2-CB 4.14Å; E61-K142 PolarHBondContact N-O 3.31Å; K142-V145 HydrophobicContact CB-CG2 4.29Å; K142-V145 HydrophobicContact CD-CG2 3.79Å; K142-V145 HydrophobicContact CG-CG2 3.69Å; K142-Y171 HydrophobicContact CD-CE1 3.97Å; K142-Y171 WeakPolarHBondContact CE-OH 3.32Å; K142-Y171 PolarHBondContact NZ-OH 2.99Å
143	Y	98.5	Very high	97.6	Very high	65 Å²	65	54 Å²	54	26%	0.255	28%	0.277	S	S	.	.			trans	-85	162.3	178.4	-71.2	-64.7	0	0	0	112.3	A39 E61 N63 G65 P66 E134 V141 V145	A39-Y143 HydrophobicContact CB-CE1 4.3Å; E61-Y143 HydrophobicContact CB-CD1 3.75Å; E61-Y143 HydrophobicContact CB-CE1 3.91Å; E61-Y143 HydrophobicContact CG-CD1 3.64Å; E61-Y143 HydrophobicContact CG-CE1 3.69Å; E61-Y143 CarbonylContact O-C 3.51Å; E61-Y143 VanDerWaalsContact O-C 3.3Å; E61-Y143 WeakPolarHBondContact O-CA 3.49Å; N63-Y143 WeakPolarHBondContact O-CB 3.44Å; N63-Y143 WeakPolarHBondContact O-CD1 3.36Å; G65-Y143 VanDerWaalsContact CA-CE1 3.44Å; P66-Y143 WeakPolarHBondContact CB-OH 3.25Å; P66-Y143 WeakPolarHBondContact CD-OH 3.2Å; E134-Y143 VanDerWaalsContact OE1-CE2 3.28Å; E134-Y143 WeakPolarHBondContact OE1-CE2 3.33Å; E134-Y143 PolarHBondContact OE1-OH 2.94Å; E134-Y143 PolarHBondContact OE2-OH 3.26Å; V141-Y143 HydrophobicContact CB-CE2 4.03Å; V141-Y143 HydrophobicContact CG1-CD1 4.11Å; V141-Y143 HydrophobicContact CG1-CD2 4.18Å; V141-Y143 HydrophobicContact CG1-CE1 3.7Å; V141-Y143 HydrophobicContact CG1-CE2 3.77Å; V141-Y143 HydrophobicContact CG1-CG 4.34Å; Y143-V145 VanDerWaalsContact C-N 3.29Å; Y143-V145 PolarHBondContact O-N 3.25Å
144	G	97.9	Very high	97.2	Very high	38 Å²	38	64.2 Å²	64.2	39%	0.392	32%	0.315	S	S	.	.	S	Bend	trans	69.4	22.1	-178.7	0	0	0	0	0	114.4	E61 R62 N63 Q166	E61-G144 PolarHBondContact O-N 2.81Å; R62-G144 WeakPolarHBondContact O-CA 3.39Å; N63-G144 PolarHBondContact O-N 2.82Å; G144-Q166 PolarHBondContact O-NE2 2.79Å
145	V	97.9	Very high	96.4	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.03	33%	0.328	C	S	.	.			trans	-110.9	98.5	179.8	-176.1	0	0	0	0	109.7	L60 E61 R62 K142 Y143 V147 D165 Y171	L60-V145 HydrophobicContact CB-CB 4.41Å; L60-V145 HydrophobicContact CB-CG1 4.23Å; L60-V145 HydrophobicContact CD1-CG1 4.37Å; L60-V145 HydrophobicContact CD2-CG1 4.24Å; E61-V145 CarbonylContact C-O 3.59Å; E61-V145 PolarHBondContact O-N 2.97Å; R62-V145 VanDerWaalsContact CA-O 3.27Å; R62-V145 WeakPolarHBondContact CA-O 3.47Å; R62-V145 PolarHBondContact N-O 3.13Å; K142-V145 HydrophobicContact CB-CG2 4.29Å; K142-V145 HydrophobicContact CD-CG2 3.79Å; K142-V145 HydrophobicContact CG-CG2 3.69Å; Y143-V145 VanDerWaalsContact C-N 3.29Å; Y143-V145 PolarHBondContact O-N 3.25Å; V145-V147 HydrophobicContact CG1-CG2 4.19Å; V145-D165 HydrophobicContact CG1-CB 3.7Å; V145-Y171 HydrophobicContact CG1-CD2 4.47Å; V145-Y171 HydrophobicContact CG1-CE2 3.72Å
146	D	97.6	Very high	95.3	Very high	72 Å²	72	62.2 Å²	62.2	39%	0.385	34%	0.34	S	S	.	.			trans	-94.6	95.9	176.6	-164.5	21.4	0	0	0	110.7	R62 G148 D165 Q166	R62-D146 HydrophobicContact CB-CB 3.72Å; R62-D146 WeakPolarHBondContact CD-OD1 3.44Å; D146-G148 PolarHBondContact O-N 3Å; D146-G148 VanDerWaalsContact O-N 3.11Å; D146-D165 CarbonylContact O-C 3.59Å; D146-D165 WeakPolarHBondContact O-CA 3.43Å; D146-Q166 HydrophobicContact CB-CB 4.46Å; D146-Q166 PolarHBondContact O-N 3.07Å; D146-Q166 VanDerWaalsContact O-N 3.08Å; D146-Q166 PolarHBondContact O-OE1 2.87Å
147	V	97.9	Very high	94	Very high	8 Å²	8	65.8 Å²	65.8	5%	0.048	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	106.3	178.9	178.3	0	0	0	0	109.8	L37 L60 V145 I150 L163	L37-V147 HydrophobicContact CD1-CB 3.86Å; L37-V147 HydrophobicContact CD1-CG2 3.66Å; L60-V147 HydrophobicContact CD1-CG2 4.05Å; V145-V147 HydrophobicContact CG1-CG2 4.19Å; V147-I150 HydrophobicContact CG1-CD1 4.31Å; V147-I150 HydrophobicContact CG1-CG1 3.79Å; V147-L163 HydrophobicContact CG1-CB 3.79Å; V147-L163 HydrophobicContact CG1-CD2 4.19Å; V147-L163 HydrophobicContact CG1-CG 4.22Å; V147-L163 HydrophobicContact CG2-CB 4.18Å; V147-L163 HydrophobicContact CG2-CD2 4.23Å
148	G	96.4	Very high	93.3	Very high	49 Å²	49	66.4 Å²	66.4	51%	0.505	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-21.2	177.9	0	0	0	0	0	113.8	D146 T164	D146-G148 PolarHBondContact O-N 3Å; D146-G148 VanDerWaalsContact O-N 3.11Å; G148-T164 PolarHBondContact N-O 3.4Å; G148-T164 VanDerWaalsContact N-O 3.07Å
149	R	97.3	Very high	92.9	Very high	130 Å²	130	68.8 Å²	68.8	49%	0.491	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	137.4	-174.4	-168.3	178.3	-178.7	-172.7	-2.7	112.8	L163 T164 I360 D362	R149-L163 WeakPolarHBondContact O-CA 3.42Å; R149-T164 PolarHBondContact N-O 3.38Å; R149-T164 PolarHBondContact O-N 2.71Å; R149-I360 CarbonylContact C-O 3.52Å; R149-I360 WeakPolarHBondContact CA-O 3.42Å; R149-D362 WeakPolarHBondContact CG-OD1 3.29Å; R149-D362 IonicContact CZ-OD1 3.37Å; R149-D362 IonicContact CZ-OD2 3.38Å; R149-D362 VanDerWaalsContact NE-CG 3.27Å; R149-D362 IonicContact NE-OD1 3.01Å; R149-D362 PolarHBondContact NE-OD1 3.29Å; R149-D362 IonicContact NE-OD2 3.77Å; R149-D362 PolarHBondContact NE-OD2 2.81Å; R149-D362 IonicContact NH2-OD1 2.79Å; R149-D362 IonicContact NH2-OD2 3.3Å; R149-D362 PolarHBondContact NH2-OD2 3.19Å
150	I	97.9	Very high	92.7	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.5	-180	-55.8	177	0	0	0	108.5	L37 V147 Y161 V162 L163 L176 I360 F361 D362 A365	L37-I150 HydrophobicContact CD2-CD1 3.71Å; V147-I150 HydrophobicContact CG1-CD1 4.31Å; V147-I150 HydrophobicContact CG1-CG1 3.79Å; I150-Y161 HydrophobicContact CG2-CD1 4.42Å; I150-V162 WeakPolarHBondContact CA-O 3.21Å; I150-L163 HydrophobicContact CG1-CG 4.25Å; I150-L176 HydrophobicContact CD1-CD2 4.31Å; I150-L176 HydrophobicContact CG2-CD2 3.68Å; I150-I360 WeakPolarHBondContact CB-O 3.41Å; I150-I360 HydrophobicContact CD1-CD1 3.74Å; I150-I360 HydrophobicContact CD1-CG1 3.96Å; I150-I360 PolarHBondContact N-O 3.37Å; I150-F361 HydrophobicContact CB-CD1 4.04Å; I150-F361 HydrophobicContact CB-CE1 4.37Å; I150-F361 HydrophobicContact CD1-CD1 4.04Å; I150-F361 HydrophobicContact CD1-CE1 3.58Å; I150-F361 HydrophobicContact CD1-CZ 3.89Å; I150-F361 HydrophobicContact CG2-CD1 4.07Å; I150-F361 HydrophobicContact CG2-CE1 4.23Å; I150-D362 WeakPolarHBondContact O-CB 3.44Å; I150-D362 PolarHBondContact O-N 3.05Å; I150-A365 HydrophobicContact CG2-CB 4.32Å
151	R	96.4	Very high	92.6	Very high	90 Å²	90	63.9 Å²	63.9	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.2	178.2	61.8	-177.7	176.8	134.3	-1.9	111.5	V153 Y161 V162 D170 D362	R151-V153 HydrophobicContact CG-CG2 4.13Å; R151-Y161 WeakPolarHBondContact O-CA 3.44Å; R151-V162 HydrophobicContact CG-CB 3.93Å; R151-V162 PolarHBondContact N-O 2.85Å; R151-V162 PolarHBondContact O-N 3.34Å; R151-D170 IonicContact NH2-OD2 2.69Å; R151-D170 PolarHBondContact NH2-OD2 2.81Å; R151-D362 HydrophobicContact CB-CB 4.21Å
152	L	94.8	Very high	92.6	Very high	32 Å²	32	63.1 Å²	63.1	17%	0.168	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.8	168.4	-178.6	70	0	0	0	108.6	R159 Y161 S364 A365	L152-R159 HydrophobicContact CD1-CB 4.12Å; L152-Y161 HydrophobicContact CB-CE1 4.31Å; L152-Y161 HydrophobicContact CD1-CD1 4.16Å; L152-Y161 HydrophobicContact CD1-CD2 4.41Å; L152-Y161 HydrophobicContact CD1-CE1 3.83Å; L152-Y161 HydrophobicContact CD1-CE2 4.09Å; L152-Y161 HydrophobicContact CD1-CG 4.43Å; L152-S364 WeakPolarHBondContact CB-O 3.41Å; L152-S364 PolarHBondContact N-OG 2.93Å; L152-A365 HydrophobicContact CB-CB 4.33Å
153	V	93.6	Very high	92.6	Very high	44 Å²	44	58.6 Å²	58.6	27%	0.267	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.2	174.8	-177.7	0	0	0	0	108.8	R151 R159 S160 V162	R151-V153 HydrophobicContact CG-CG2 4.13Å; V153-R159 WeakPolarHBondContact O-CA 3.42Å; V153-S160 PolarHBondContact N-O 3.25Å; V153-S160 PolarHBondContact O-N 3.06Å; V153-V162 HydrophobicContact CB-CG2 4.36Å; V153-V162 HydrophobicContact CG2-CB 4.35Å; V153-V162 HydrophobicContact CG2-CG2 3.66Å
154	R	89.6	Confident	92.5	Very high	213 Å²	213	56.9 Å²	56.9	80%	0.804	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	133	172.5	-65.1	-174.9	-179.5	-171.3	1.2	108.6
155	S	81.8	Confident	92.5	Very high	57 Å²	57	55.8 Å²	55.8	40%	0.399	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	170.6	179.9	70.5	0	0	0	0	110.1	T157 G158	S155-T157 PolarHBondContact O-N 2.84Å; S155-T157 PolarHBondContact OG-N 3.09Å; S155-T157 PolarHBondContact OG-OG1 2.89Å; S155-G158 PolarHBondContact N-O 2.88Å; S155-G158 PolarHBondContact O-N 3.4Å; S155-G158 VanDerWaalsContact O-N 3.12Å; S155-G158 VanDerWaalsContact O-O 3.1Å; S155-G158 PolarHBondContact OG-O 3.17Å
156	A	75.3	Confident	92.4	Very high	116 Å²	116	59.7 Å²	59.7	96%	0.959	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.3	176.2	0	0	0	0	0	113
157	T	71.4	Confident	92.3	Very high	140 Å²	140	63.2 Å²	63.2	86%	0.859	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-2	179.9	56.5	0	0	0	0	113.3	S155	S155-T157 PolarHBondContact O-N 2.84Å; S155-T157 PolarHBondContact OG-N 3.09Å; S155-T157 PolarHBondContact OG-OG1 2.89Å
158	G	82.4	Confident	92.1	Very high	36 Å²	36	66.4 Å²	66.4	37%	0.371	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	127.8	-156.6	179	0	0	0	0	0	112.9	S155	S155-G158 PolarHBondContact N-O 2.88Å; S155-G158 PolarHBondContact O-N 3.4Å; S155-G158 VanDerWaalsContact O-N 3.12Å; S155-G158 VanDerWaalsContact O-O 3.1Å; S155-G158 PolarHBondContact OG-O 3.17Å
159	R	89.6	Confident	92	Very high	104 Å²	104	65.7 Å²	65.7	39%	0.392	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.2	-179.6	73.1	-177.3	-174.6	-154.7	-2.3	110.8	L152 V153 P390 G391	L152-R159 HydrophobicContact CD1-CB 4.12Å; V153-R159 WeakPolarHBondContact O-CA 3.42Å; R159-P390 PolarHBondContact NE-O 3.02Å; R159-P390 VanDerWaalsContact NH1-CG 3.28Å; R159-P390 PolarHBondContact NH2-O 3.04Å; R159-G391 VanDerWaalsContact NH2-N 3.16Å
160	S	94.9	Very high	91.9	Very high	21 Å²	21	62 Å²	62	15%	0.147	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.6	170.5	60.4	0	0	0	0	110.6	V153 C173	V153-S160 PolarHBondContact N-O 3.25Å; V153-S160 PolarHBondContact O-N 3.06Å; S160-C173 CarbonylContact C-O 3.55Å; S160-C173 WeakPolarHBondContact CA-O 3.31Å
161	Y	97.1	Very high	91.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136.1	167.9	-68.6	-85.5	0	0	0	108.5	I150 R151 L152 S172 C173 L176 A365 P390 L392	I150-Y161 HydrophobicContact CG2-CD1 4.42Å; R151-Y161 WeakPolarHBondContact O-CA 3.44Å; L152-Y161 HydrophobicContact CB-CE1 4.31Å; L152-Y161 HydrophobicContact CD1-CD1 4.16Å; L152-Y161 HydrophobicContact CD1-CD2 4.41Å; L152-Y161 HydrophobicContact CD1-CE1 3.83Å; L152-Y161 HydrophobicContact CD1-CE2 4.09Å; L152-Y161 HydrophobicContact CD1-CG 4.43Å; Y161-S172 CarbonylContact O-C 3.48Å; Y161-S172 VanDerWaalsContact O-CA 3.27Å; Y161-S172 WeakPolarHBondContact O-CA 3.42Å; Y161-C173 PolarHBondContact N-O 2.99Å; Y161-C173 PolarHBondContact O-N 3.33Å; Y161-L176 HydrophobicContact CD1-CB 4.45Å; Y161-L176 HydrophobicContact CD1-CD2 4.09Å; Y161-L176 HydrophobicContact CD2-CB 3.91Å; Y161-L176 HydrophobicContact CE2-CB 4.46Å; Y161-L176 HydrophobicContact CG-CB 3.91Å; Y161-L176 HydrophobicContact CG-CD2 4.22Å; Y161-A365 HydrophobicContact CD1-CB 4.34Å; Y161-A365 HydrophobicContact CE1-CB 4.1Å; Y161-P390 PolarHBondContact OH-O 3.04Å; Y161-L392 HydrophobicContact CE1-CB 4.15Å; Y161-L392 HydrophobicContact CE1-CD1 4.04Å; Y161-L392 HydrophobicContact CE2-CB 4.31Å
162	V	97.4	Very high	91.9	Very high	11 Å²	11	58.8 Å²	58.8	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.1	173.1	-179.8	0	0	0	0	108.2	I150 R151 V153 D170 Y171	I150-V162 WeakPolarHBondContact CA-O 3.21Å; R151-V162 HydrophobicContact CG-CB 3.93Å; R151-V162 PolarHBondContact N-O 2.85Å; R151-V162 PolarHBondContact O-N 3.34Å; V153-V162 HydrophobicContact CB-CG2 4.36Å; V153-V162 HydrophobicContact CG2-CB 4.35Å; V153-V162 HydrophobicContact CG2-CG2 3.66Å; V162-D170 HydrophobicContact CG1-CB 3.91Å; V162-D170 VanDerWaalsContact CG1-CG 3.48Å; V162-D170 WeakPolarHBondContact CG1-OD2 3.42Å; V162-Y171 CarbonylContact C-O 3.36Å; V162-Y171 WeakPolarHBondContact CA-O 3.45Å
163	L	97.9	Very high	92	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.9	179.5	-66.3	78.8	0	0	0	107.4	C35 L37 L60 V147 R149 I150 Y171 L176	C35-L163 HydrophobicContact CB-CD1 4.4Å; C35-L163 HydrophobicContact CB-CD2 4.49Å; L37-L163 HydrophobicContact CD1-CD2 4.35Å; L60-L163 HydrophobicContact CD1-CD2 4.08Å; V147-L163 HydrophobicContact CG1-CB 3.79Å; V147-L163 HydrophobicContact CG1-CD2 4.19Å; V147-L163 HydrophobicContact CG1-CG 4.22Å; V147-L163 HydrophobicContact CG2-CB 4.18Å; V147-L163 HydrophobicContact CG2-CD2 4.23Å; R149-L163 WeakPolarHBondContact O-CA 3.42Å; I150-L163 HydrophobicContact CG1-CG 4.25Å; L163-Y171 PolarHBondContact N-O 3.23Å; L163-Y171 PolarHBondContact O-N 3.4Å; L163-L176 HydrophobicContact CD1-CD1 4.2Å; L163-L176 HydrophobicContact CD2-CD1 3.87Å; L163-L176 HydrophobicContact CG-CD1 4.49Å
164	T	97.7	Very high	92.1	Very high	29 Å²	29	57.3 Å²	57.3	18%	0.178	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.6	-179.9	-50.7	0	0	0	0	109.2	G148 R149 A169 D170	G148-T164 PolarHBondContact N-O 3.4Å; G148-T164 VanDerWaalsContact N-O 3.07Å; R149-T164 PolarHBondContact N-O 3.38Å; R149-T164 PolarHBondContact O-N 2.71Å; T164-A169 WeakPolarHBondContact CA-O 3.06Å; T164-D170 WeakPolarHBondContact CB-OD1 3.48Å; T164-D170 WeakPolarHBondContact CG2-OD1 3.39Å; T164-D170 PolarHBondContact OG1-OD1 3.45Å
165	D	96.7	Very high	92.5	Very high	14 Å²	14	47.4 Å²	47.4	8%	0.075	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	179	179	77.6	11.5	0	0	0	113.4	V145 D146 H167 A168 A169 Y171	V145-D165 HydrophobicContact CG1-CB 3.7Å; D146-D165 CarbonylContact O-C 3.59Å; D146-D165 WeakPolarHBondContact O-CA 3.43Å; D165-H167 PolarHBondContact O-N 2.99Å; D165-H167 VanDerWaalsContact O-N 3.17Å; D165-H167 WeakPolarHBondContact OD1-CA 3.34Å; D165-H167 PolarHBondContact OD1-N 3.36Å; D165-A168 PolarHBondContact O-N 3.39Å; D165-A168 PolarHBondContact OD1-N 2.93Å; D165-A169 PolarHBondContact N-O 2.79Å; D165-A169 WeakPolarHBondContact OD1-CB 3.45Å; D165-A169 PolarHBondContact OD1-N 2.72Å; D165-Y171 HydrophobicContact CB-CE2 4.12Å; D165-Y171 WeakPolarHBondContact OD2-CE2 3.45Å; D165-Y171 PolarHBondContact OD2-OH 2.93Å
166	Q	95.9	Very high	93.3	Very high	88 Å²	88	44.7 Å²	44.7	41%	0.411	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.1	-179.2	76.7	-78.4	10.8	0	0	114.3	G144 D146	G144-Q166 PolarHBondContact O-NE2 2.79Å; D146-Q166 HydrophobicContact CB-CB 4.46Å; D146-Q166 PolarHBondContact O-N 3.07Å; D146-Q166 VanDerWaalsContact O-N 3.08Å; D146-Q166 PolarHBondContact O-OE1 2.87Å
167	H	95.3	Very high	94.4	Very high	146 Å²	146	39.2 Å²	39.2	68%	0.676	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	13	177.3	-59.7	-61.1	0	0	0	112.2	D165 A169	D165-H167 PolarHBondContact O-N 2.99Å; D165-H167 VanDerWaalsContact O-N 3.17Å; D165-H167 WeakPolarHBondContact OD1-CA 3.34Å; D165-H167 PolarHBondContact OD1-N 3.36Å; H167-A169 PolarHBondContact O-N 2.8Å
168	A	94	Very high	95.7	Very high	75 Å²	75	32.5 Å²	32.5	62%	0.62	19%	0.189	S	C	*	.			trans	60.5	23.5	-175.4	0	0	0	0	0	114.1	D165	D165-A168 PolarHBondContact O-N 3.39Å; D165-A168 PolarHBondContact OD1-N 2.93Å
169	A	94.8	Very high	96.5	Very high	33 Å²	33	31.2 Å²	31.2	27%	0.273	17%	0.174	S	C	.	.			trans	-81.6	133.1	170.6	0	0	0	0	0	110.2	T164 D165 H167 Y171	T164-A169 WeakPolarHBondContact CA-O 3.06Å; D165-A169 PolarHBondContact N-O 2.79Å; D165-A169 WeakPolarHBondContact OD1-CB 3.45Å; D165-A169 PolarHBondContact OD1-N 2.72Å; H167-A169 PolarHBondContact O-N 2.8Å; A169-Y171 HydrophobicContact CB-CE2 4.27Å
170	D	96	Very high	96.8	Very high	53 Å²	53	27.8 Å²	27.8	28%	0.283	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.1	-178.7	-87	-1.3	0	0	0	111.3	R151 V162 T164	R151-D170 IonicContact NH2-OD2 2.69Å; R151-D170 PolarHBondContact NH2-OD2 2.81Å; V162-D170 HydrophobicContact CG1-CB 3.91Å; V162-D170 VanDerWaalsContact CG1-CG 3.48Å; V162-D170 WeakPolarHBondContact CG1-OD2 3.42Å; T164-D170 WeakPolarHBondContact CB-OD1 3.48Å; T164-D170 WeakPolarHBondContact CG2-OD1 3.39Å; T164-D170 PolarHBondContact OG1-OD1 3.45Å
171	Y	97.1	Very high	96.9	Very high	10 Å²	10	27.6 Å²	27.6	4%	0.039	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.7	169.8	-53.8	-97.5	0	0	0	108.5	L60 K142 V145 V162 L163 D165 A169	L60-Y171 HydrophobicContact CD1-CD1 4.32Å; L60-Y171 HydrophobicContact CD1-CD2 4.07Å; L60-Y171 HydrophobicContact CD1-CG 3.9Å; L60-Y171 HydrophobicContact CD2-CD1 3.99Å; L60-Y171 HydrophobicContact CD2-CE1 4Å; L60-Y171 HydrophobicContact CD2-CG 4.39Å; K142-Y171 HydrophobicContact CD-CE1 3.97Å; K142-Y171 WeakPolarHBondContact CE-OH 3.32Å; K142-Y171 PolarHBondContact NZ-OH 2.99Å; V145-Y171 HydrophobicContact CG1-CD2 4.47Å; V145-Y171 HydrophobicContact CG1-CE2 3.72Å; V162-Y171 CarbonylContact C-O 3.36Å; V162-Y171 WeakPolarHBondContact CA-O 3.45Å; L163-Y171 PolarHBondContact N-O 3.23Å; L163-Y171 PolarHBondContact O-N 3.4Å; D165-Y171 HydrophobicContact CB-CE2 4.12Å; D165-Y171 WeakPolarHBondContact OD2-CE2 3.45Å; D165-Y171 PolarHBondContact OD2-OH 2.93Å; A169-Y171 HydrophobicContact CB-CE2 4.27Å
172	S	96.6	Very high	96.7	Very high	13 Å²	13	29.3 Å²	29.3	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.3	-177.3	63.4	0	0	0	0	112.1	S30 H31 Y32 Y161	S30-S172 PolarHBondContact O-N 3.48Å; S30-S172 PolarHBondContact O-OG 3.36Å; H31-S172 WeakPolarHBondContact CA-O 3.34Å; H31-S172 VanDerWaalsContact CA-OG 3.32Å; H31-S172 WeakPolarHBondContact CA-OG 3.17Å; H31-S172 WeakPolarHBondContact CB-OG 3.28Å; H31-S172 PolarHBondContact CD2-OG 3.36Å; Y32-S172 PolarHBondContact N-O 3.37Å; Y161-S172 CarbonylContact O-C 3.48Å; Y161-S172 VanDerWaalsContact O-CA 3.27Å; Y161-S172 WeakPolarHBondContact O-CA 3.42Å
173	C	97	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156.2	174.6	63.5	0	0	0	0	115.3	Y32 C35 S160 Y161 I175	Y32-C173 WeakPolarHBondContact O-CA 3.44Å; Y32-C173 WeakPolarHBondContact O-CB 3.47Å; C35-C173 HydrophobicContact CB-CB 3.94Å; C35-C173 WeakPolarHBondContact CB-SG 3.41Å; C35-C173 WeakPolarHBondContact SG-CB 3.36Å; C35-C173 VanDerWaalsContact SG-SG 3.64Å; S160-C173 CarbonylContact C-O 3.55Å; S160-C173 WeakPolarHBondContact CA-O 3.31Å; Y161-C173 PolarHBondContact N-O 2.99Å; Y161-C173 PolarHBondContact O-N 3.33Å; C173-I175 PolarHBondContact SG-O 2.87Å; C173-I175 VanDerWaalsContact SG-O 3.39Å
174	S	95.4	Very high	96.4	Very high	45 Å²	45	33.9 Å²	33.9	32%	0.315	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-39	172.5	-60	0	0	0	0	112.7	Y32 Q33	Y32-S174 PolarHBondContact O-N 2.86Å; Q33-S174 PolarHBondContact O-N 2.88Å
175	I	98	Very high	96.3	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.9	-177.8	-55.9	-64.3	0	0	0	110	Q33 Y34 C35 C173 L177 G391 F393 L426	Q33-I175 PolarHBondContact O-N 2.81Å; Y34-I175 WeakPolarHBondContact CA-O 3.37Å; Y34-I175 HydrophobicContact CD1-CB 3.61Å; Y34-I175 HydrophobicContact CD1-CG1 4.24Å; Y34-I175 HydrophobicContact CD1-CG2 3.73Å; Y34-I175 HydrophobicContact CE1-CB 3.8Å; Y34-I175 HydrophobicContact CE1-CG1 3.94Å; Y34-I175 HydrophobicContact CE1-CG2 3.87Å; C35-I175 PolarHBondContact N-O 2.87Å; C173-I175 PolarHBondContact SG-O 2.87Å; C173-I175 VanDerWaalsContact SG-O 3.39Å; I175-L177 HydrophobicContact CG2-CD2 3.75Å; I175-L177 HydrophobicContact CG2-CG 4.24Å; I175-G391 CarbonylContact C-O 3.49Å; I175-G391 WeakPolarHBondContact CA-O 3.37Å; I175-F393 HydrophobicContact CG2-CD2 4.11Å; I175-F393 HydrophobicContact CG2-CE2 4.28Å; I175-L426 HydrophobicContact CG2-CD2 4.09Å
176	L	98.6	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.8	177.8	175.2	56.8	0	0	0	110.2	C35 L37 I150 Y161 L163 V178 G391 L392 F393	C35-L176 HydrophobicContact CB-CD1 4.24Å; L37-L176 HydrophobicContact CB-CD1 4.44Å; I150-L176 HydrophobicContact CD1-CD2 4.31Å; I150-L176 HydrophobicContact CG2-CD2 3.68Å; Y161-L176 HydrophobicContact CD1-CB 4.45Å; Y161-L176 HydrophobicContact CD1-CD2 4.09Å; Y161-L176 HydrophobicContact CD2-CB 3.91Å; Y161-L176 HydrophobicContact CE2-CB 4.46Å; Y161-L176 HydrophobicContact CG-CB 3.91Å; Y161-L176 HydrophobicContact CG-CD2 4.22Å; L163-L176 HydrophobicContact CD1-CD1 4.2Å; L163-L176 HydrophobicContact CD2-CD1 3.87Å; L163-L176 HydrophobicContact CG-CD1 4.49Å; L176-V178 HydrophobicContact CD1-CG2 4.21Å; L176-V178 HydrophobicContact CD2-CG2 4Å; L176-V178 HydrophobicContact CG-CG2 3.76Å; L176-G391 PolarHBondContact N-O 3.31Å; L176-L392 HydrophobicContact CB-CG 4.37Å; L176-L392 HydrophobicContact CD2-CD1 4.18Å; L176-L392 HydrophobicContact CD2-CG 4.08Å; L176-L392 HydrophobicContact CG-CG 4.26Å; L176-L392 CarbonylContact O-C 3.55Å; L176-L392 VanDerWaalsContact O-CA 3.32Å; L176-L392 WeakPolarHBondContact O-CA 3.45Å; L176-F393 PolarHBondContact O-N 2.76Å
177	L	98.8	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	97.2	-179.8	-55.1	179.5	0	0	0	108.9	Y34 C35 V36 L37 M46 L50 I175 A179 F393 L395 L426	Y34-L177 HydrophobicContact CD1-CD1 4.04Å; C35-L177 PolarHBondContact O-N 2.91Å; V36-L177 CarbonylContact C-O 3.55Å; V36-L177 VanDerWaalsContact CA-O 3.31Å; V36-L177 WeakPolarHBondContact CA-O 3.25Å; V36-L177 HydrophobicContact CG2-CB 4.13Å; V36-L177 HydrophobicContact CG2-CD1 4.03Å; L37-L177 PolarHBondContact N-O 3.18Å; M46-L177 HydrophobicContact CG-CD1 3.59Å; M46-L177 HydrophobicContact SD-CD1 4.01Å; L50-L177 HydrophobicContact CD1-CD1 3.92Å; I175-L177 HydrophobicContact CG2-CD2 3.75Å; I175-L177 HydrophobicContact CG2-CG 4.24Å; L177-A179 PolarHBondContact O-N 3.11Å; L177-F393 HydrophobicContact CD2-CB 3.74Å; L177-F393 HydrophobicContact CD2-CD2 4.05Å; L177-F393 HydrophobicContact CD2-CG 4.14Å; L177-L395 HydrophobicContact CB-CD1 3.92Å; L177-L426 HydrophobicContact CD1-CD1 4.33Å; L177-L426 HydrophobicContact CD2-CD1 3.89Å
178	V	98.6	Very high	95.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.6	-173.7	-178.7	0	0	0	0	110.2	L176 T180 F356 F361 L392 F393 L394 L395	L176-V178 HydrophobicContact CD1-CG2 4.21Å; L176-V178 HydrophobicContact CD2-CG2 4Å; L176-V178 HydrophobicContact CG-CG2 3.76Å; V178-T180 HydrophobicContact CG1-CG2 4.08Å; V178-F356 HydrophobicContact CG1-CE2 4.06Å; V178-F356 HydrophobicContact CG1-CZ 4Å; V178-F361 HydrophobicContact CG1-CZ 4.29Å; V178-F361 HydrophobicContact CG2-CE1 4.33Å; V178-F361 HydrophobicContact CG2-CZ 4.09Å; V178-L392 HydrophobicContact CG2-CD2 3.83Å; V178-L392 HydrophobicContact CG2-CG 4.26Å; V178-F393 PolarHBondContact N-O 3.12Å; V178-L394 HydrophobicContact CB-CD1 3.99Å; V178-L394 HydrophobicContact CG1-CD1 4.07Å; V178-L395 PolarHBondContact O-N 2.72Å
179	A	98.3	Very high	95.4	Very high	8 Å²	8	35.5 Å²	35.5	7%	0.066	19%	0.193	C	C	.	.			trans	-122.4	30.2	-177.3	0	0	0	0	0	112.6	V36 L37 A42 L177 G181 L395	V36-A179 HydrophobicContact CG1-CB 4.36Å; L37-A179 CarbonylContact O-C 3.57Å; L37-A179 VanDerWaalsContact O-CA 3.27Å; L37-A179 WeakPolarHBondContact O-CA 3.18Å; L37-A179 PolarHBondContact O-N 3.18Å; A42-A179 HydrophobicContact CB-CB 4.31Å; L177-A179 PolarHBondContact O-N 3.11Å; A179-G181 PolarHBondContact O-N 2.75Å; A179-L395 HydrophobicContact CB-CB 4.19Å
180	T	97.1	Very high	95.3	Very high	33 Å²	33	35.1 Å²	35.1	20%	0.202	19%	0.185	C	C	.	.			trans	-73.4	-7.6	-174.1	56.4	0	0	0	0	114.8	L37 V178 F356	L37-T180 HydrophobicContact CB-CG2 4.36Å; L37-T180 HydrophobicContact CD2-CG2 3.75Å; L37-T180 HydrophobicContact CG-CG2 3.61Å; L37-T180 PolarHBondContact O-N 3.16Å; V178-T180 HydrophobicContact CG1-CG2 4.08Å; T180-F356 WeakPolarHBondContact OG1-CE2 3.32Å
181	G	95.7	Very high	95.1	Very high	17 Å²	17	34.1 Å²	34.1	18%	0.175	18%	0.184	C	C	.	.			trans	61.1	-154.6	-175.7	0	0	0	0	0	113.6	A179	A179-G181 PolarHBondContact O-N 2.75Å
182	L	94.6	Very high	94.8	Very high	36 Å²	36	34.1 Å²	34.1	19%	0.188	19%	0.187	C	C	.	.	S	Bend	trans	-119.6	120.1	173.8	-49.3	176.4	0	0	0	108.3	F354 F356 L377 T397	L182-F354 HydrophobicContact CB-CB 3.92Å; L182-F356 HydrophobicContact CD2-CB 3.79Å; L182-F356 HydrophobicContact CD2-CD2 4.44Å; L182-L377 HydrophobicContact CD1-CD2 3.73Å; L182-L377 HydrophobicContact CD2-CD2 3.65Å; L182-L377 HydrophobicContact CG-CD2 4.23Å; L182-T397 HydrophobicContact CD1-CG2 3.85Å; L182-T397 HydrophobicContact CG-CG2 3.98Å
183	W	92.3	Very high	94.6	Very high	83 Å²	83	34.3 Å²	34.3	31%	0.314	19%	0.188	S	C	.	.			trans	-142.4	-11	-175.5	65.7	-92.8	0	0	0	113.4	R62 F69 P185 F354 N357	R62-W183 VanDerWaalsContact NH2-CD2 3.26Å; R62-W183 VanDerWaalsContact NH2-CE2 3.31Å; F69-W183 HydrophobicContact CD2-CB 4.43Å; W183-P185 WeakPolarHBondContact O-CD 3.36Å; W183-F354 WeakPolarHBondContact O-CD1 3.2Å; W183-N357 HydrophobicContact CZ2-CB 4.21Å
184	V	95.6	Very high	94.4	Very high	24 Å²	24	41.6 Å²	41.6	15%	0.145	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.4	175.1	-179.5	0	0	0	0	107.8	F354 R355 N357	V184-F354 CarbonylContact O-C 3.38Å; V184-F354 WeakPolarHBondContact O-CA 3.36Å; V184-F354 WeakPolarHBondContact O-CB 3.46Å; V184-R355 HydrophobicContact CB-CG 3.93Å; V184-R355 HydrophobicContact CG1-CG 3.96Å; V184-R355 PolarHBondContact N-O 3.33Å; V184-R355 PolarHBondContact O-N 3.43Å; V184-N357 HydrophobicContact CG2-CB 3.7Å
185	P	95.1	Very high	94.4	Very high	28 Å²	28	41.6 Å²	41.6	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	142.7	176.3	-26.6	36.1	0	0	0	112	W183 E187 E200 F354	W183-P185 WeakPolarHBondContact O-CD 3.36Å; P185-E187 PolarHBondContact O-N 2.79Å; P185-E200 HydrophobicContact CG-CB 4.37Å; P185-E200 HydrophobicContact CG-CG 4.06Å; P185-F354 HydrophobicContact CG-CD1 4.47Å; P185-F354 HydrophobicContact CG-CE1 4.32Å
186	Q	92.8	Very high	94.3	Very high	47 Å²	47	42 Å²	42	22%	0.22	22%	0.222	C	C	.	.			trans	-81.3	115.1	170.7	-179.8	62.2	40.3	0	0	108.9	V188 L352 G353	Q186-V188 HydrophobicContact CG-CG2 4.42Å; Q186-L352 HydrophobicContact CB-CB 4.24Å; Q186-L352 HydrophobicContact CG-CB 4.31Å; Q186-G353 VanDerWaalsContact CB-O 3.32Å; Q186-G353 WeakPolarHBondContact CB-O 3.39Å; Q186-G353 PolarHBondContact N-O 2.8Å
187	E	89.3	Confident	94.1	Very high	98 Å²	98	45.1 Å²	45.1	46%	0.458	24%	0.237	S	C	.	.			trans	-101.8	144	172.9	-67.9	171.1	169.5	0	0	109.3	P185 R350	P185-E187 PolarHBondContact O-N 2.79Å; E187-R350 IonicContact OE1-NH2 3.77Å
188	V	90.4	Very high	94	Very high	56 Å²	56	45.2 Å²	45.2	34%	0.339	24%	0.238	S	C	.	.			trans	-135	116.7	176.7	179	0	0	0	0	106	Q186 F190 L281 L352	Q186-V188 HydrophobicContact CG-CG2 4.42Å; V188-F190 HydrophobicContact CG1-CD1 4.46Å; V188-F190 VanDerWaalsContact O-CD1 3.25Å; V188-F190 WeakPolarHBondContact O-CD1 3.46Å; V188-L281 HydrophobicContact CB-CD1 4.09Å; V188-L281 HydrophobicContact CG1-CB 4.3Å; V188-L281 HydrophobicContact CG1-CD1 4.1Å; V188-L281 HydrophobicContact CG2-CD1 4.37Å; V188-L352 HydrophobicContact CB-CD1 4.06Å; V188-L352 HydrophobicContact CG2-CD1 3.8Å
189	E	91.8	Very high	93.9	Very high	156 Å²	156	45.7 Å²	45.7	73%	0.729	24%	0.24	S	C	*	.			trans	-76.1	125.5	176.9	-68.4	-59.1	141.6	0	0	110	S193	E189-S193 PolarHBondContact OE2-OG 2.81Å
190	F	91.8	Very high	93.8	Very high	26 Å²	26	46.8 Å²	46.8	11%	0.114	24%	0.243	C	C	.	.			trans	-153.4	168.2	170.1	63.3	-86.6	0	0	0	108.7	V188 G192 S193 L217 L281 V284 I286	V188-F190 HydrophobicContact CG1-CD1 4.46Å; V188-F190 VanDerWaalsContact O-CD1 3.25Å; V188-F190 WeakPolarHBondContact O-CD1 3.46Å; F190-G192 PolarHBondContact O-N 2.85Å; F190-S193 WeakPolarHBondContact O-CB 3.25Å; F190-S193 PolarHBondContact O-N 3.33Å; F190-S193 PolarHBondContact O-OG 3.5Å; F190-L217 HydrophobicContact CE1-CD1 4.26Å; F190-L217 HydrophobicContact CZ-CD1 3.73Å; F190-L281 WeakPolarHBondContact CB-O 3.33Å; F190-L281 HydrophobicContact CD1-CB 3.98Å; F190-L281 HydrophobicContact CD1-CD1 4.48Å; F190-L281 HydrophobicContact CE1-CB 4.35Å; F190-L281 HydrophobicContact CE1-CD1 4.26Å; F190-L281 HydrophobicContact CE1-CD2 4.41Å; F190-L281 HydrophobicContact CG-CB 4.37Å; F190-V284 WeakPolarHBondContact CD2-O 3.48Å; F190-I286 HydrophobicContact CE2-CD1 3.65Å; F190-I286 HydrophobicContact CE2-CG1 4.04Å; F190-I286 HydrophobicContact CZ-CD1 3.91Å
191	A	91.9	Very high	93.7	Very high	31 Å²	31	49 Å²	49	26%	0.256	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	120.8	-176	0	0	0	0	0	111.2	V285 I286 W329	A191-V285 HydrophobicContact CB-CB 4.28Å; A191-V285 HydrophobicContact CB-CG1 3.81Å; A191-V285 HydrophobicContact CB-CG2 3.68Å; A191-V285 WeakPolarHBondContact O-CA 3.31Å; A191-I286 PolarHBondContact O-N 3.07Å; A191-I286 VanDerWaalsContact O-N 3.13Å; A191-W329 HydrophobicContact CB-CH2 4Å
192	G	90.7	Very high	93.7	Very high	11 Å²	11	48.3 Å²	48.3	11%	0.113	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	6.9	-174	0	0	0	0	0	115.2	F190 H194 L195 I286	F190-G192 PolarHBondContact O-N 2.85Å; G192-H194 VanDerWaalsContact C-N 3.25Å; G192-H194 PolarHBondContact O-N 3.11Å; G192-L195 VanDerWaalsContact O-CB 3.3Å; G192-L195 WeakPolarHBondContact O-CB 3.4Å; G192-L195 PolarHBondContact O-N 2.87Å; G192-I286 WeakPolarHBondContact CA-O 3.38Å
193	S	93	Very high	93.7	Very high	16 Å²	16	48.1 Å²	48.1	11%	0.112	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-56.9	-33.6	178.1	56.8	0	0	0	0	114.2	E189 F190 L195 A196	E189-S193 PolarHBondContact OE2-OG 2.81Å; F190-S193 WeakPolarHBondContact O-CB 3.25Å; F190-S193 PolarHBondContact O-N 3.33Å; F190-S193 PolarHBondContact O-OG 3.5Å; S193-L195 PolarHBondContact O-N 2.84Å; S193-A196 WeakPolarHBondContact O-CB 3.42Å; S193-A196 PolarHBondContact O-N 2.77Å
194	H	93.8	Very high	93.9	Very high	154 Å²	154	47.1 Å²	47.1	71%	0.713	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-64.7	-15.7	175.4	65.5	-89	0	0	0	114.2	G192 A196	G192-H194 VanDerWaalsContact C-N 3.25Å; G192-H194 PolarHBondContact O-N 3.11Å; H194-A196 VanDerWaalsContact C-N 3.3Å
195	L	94.6	Very high	94	Very high	44 Å²	44	49.2 Å²	49.2	23%	0.23	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-82.1	-11	174.7	-58.4	171.5	0	0	0	112.2	G192 S193 I286 K288 L308	G192-L195 VanDerWaalsContact O-CB 3.3Å; G192-L195 WeakPolarHBondContact O-CB 3.4Å; G192-L195 PolarHBondContact O-N 2.87Å; S193-L195 PolarHBondContact O-N 2.84Å; L195-I286 HydrophobicContact CB-CG2 4.17Å; L195-I286 HydrophobicContact CD1-CB 4.46Å; L195-I286 HydrophobicContact CD1-CG2 3.88Å; L195-K288 HydrophobicContact CD1-CB 4.32Å; L195-L308 HydrophobicContact CB-CD2 4.31Å; L195-L308 HydrophobicContact CD1-CD2 4.15Å
196	A	95.1	Very high	94	Very high	13 Å²	13	49.9 Å²	49.9	11%	0.107	27%	0.272	C	S	.	.	S	Bend	trans	-91.2	136.3	179.5	0	0	0	0	0	111.8	S193 H194 L217 V348	S193-A196 WeakPolarHBondContact O-CB 3.42Å; S193-A196 PolarHBondContact O-N 2.77Å; H194-A196 VanDerWaalsContact C-N 3.3Å; A196-L217 HydrophobicContact CB-CD1 4.43Å; A196-V348 CarbonylContact C-O 3.23Å; A196-V348 WeakPolarHBondContact CA-O 3.29Å; A196-V348 HydrophobicContact CB-CB 4.22Å; A196-V348 HydrophobicContact CB-CG1 3.89Å
197	E	95.8	Very high	94.2	Very high	66 Å²	66	51.3 Å²	51.3	31%	0.308	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	140	178.8	-60.1	178.8	-100.7	0	0	111.6	I202 R347 V348 I349 R350	E197-I202 HydrophobicContact CB-CG2 4.03Å; E197-R347 IonicContact OE1-CZ 2.62Å; E197-R347 VanDerWaalsContact OE1-CZ 3.27Å; E197-R347 IonicContact OE1-NE 3Å; E197-R347 PolarHBondContact OE1-NE 2.86Å; E197-R347 IonicContact OE1-NH2 3.78Å; E197-R347 PolarHBondContact OE1-NH2 3.06Å; E197-R347 IonicContact OE2-CZ 2.84Å; E197-R347 IonicContact OE2-NE 2.87Å; E197-R347 IonicContact OE2-NH2 3.73Å; E197-R347 PolarHBondContact OE2-NH2 2.82Å; E197-V348 PolarHBondContact N-O 3.2Å; E197-I349 CarbonylContact O-C 3.5Å; E197-I349 WeakPolarHBondContact O-CA 3.28Å; E197-R350 WeakPolarHBondContact O-CG 3.36Å; E197-R350 PolarHBondContact O-N 3.29Å
198	G	96.2	Very high	94.6	Very high	2 Å²	2	50 Å²	50	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138	179.8	0	0	0	0	0	113.7	E200 S201 I202 R350	G198-E200 VanDerWaalsContact CA-OE2 3.31Å; G198-E200 WeakPolarHBondContact CA-OE2 3.35Å; G198-E200 PolarHBondContact O-N 3.22Å; G198-S201 PolarHBondContact O-N 2.04Å; G198-S201 PolarHBondContact O-OG 3.38Å; G198-S201 VanDerWaalsContact O-OG 3.09Å; G198-I202 VanDerWaalsContact O-CG2 3.3Å; G198-I202 WeakPolarHBondContact O-CG2 3.4Å; G198-I202 PolarHBondContact O-N 3.3Å; G198-R350 VanDerWaalsContact CA-CZ 3.49Å
199	Y	97.2	Very high	94.9	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.039	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-30.9	167.5	170.3	-108.7	0	0	0	112.9	Y73 R75 S201 I202 E225 R350 F354	Y73-Y199 HydrophobicContact CD1-CD1 4.43Å; Y73-Y199 AromaticContact CD1-CE1 3.56Å; Y73-Y199 HydrophobicContact CD1-CE1 3.56Å; Y73-Y199 AromaticContact CE1-CD1 3.98Å; Y73-Y199 HydrophobicContact CE1-CD1 3.98Å; Y73-Y199 AromaticContact CE1-CE1 3.56Å; Y73-Y199 HydrophobicContact CE1-CE1 3.56Å; R75-Y199 HydrophobicContact CB-CE2 3.86Å; R75-Y199 HydrophobicContact CG-CD1 4.44Å; R75-Y199 HydrophobicContact CG-CD2 4.07Å; R75-Y199 HydrophobicContact CG-CE1 3.9Å; R75-Y199 HydrophobicContact CG-CE2 3.49Å; R75-Y199 VanDerWaalsContact CG-CE2 3.49Å; R75-Y199 WeakPolarHBondContact CG-O 3.41Å; R75-Y199 PolarHBondContact N-OH 2.87Å; R75-Y199 VanDerWaalsContact N-OH 3.09Å; R75-Y199 PolarHBondContact NH1-O 2.61Å; Y199-S201 VanDerWaalsContact C-N 3.27Å; Y199-S201 PolarHBondContact O-N 2.89Å; Y199-I202 HydrophobicContact CD2-CD1 4.4Å; Y199-E225 HydrophobicContact CE2-CG 4.47Å; Y199-E225 WeakPolarHBondContact CE2-OE1 3.49Å; Y199-E225 VanDerWaalsContact OH-CD 3.31Å; Y199-E225 PolarHBondContact OH-OE1 2.95Å; Y199-R350 WeakPolarHBondContact CB-O 3.43Å; Y199-R350 PolarHBondContact N-O 3.16Å; Y199-F354 HydrophobicContact CD1-CE2 4.25Å; Y199-F354 AromaticContact CD1-CZ 3.98Å; Y199-F354 HydrophobicContact CD1-CZ 3.98Å; Y199-F354 HydrophobicContact CE1-CE2 4.15Å; Y199-F354 HydrophobicContact CE1-CZ 4.06Å
200	E	95.6	Very high	95.2	Very high	31 Å²	31	45.8 Å²	45.8	15%	0.145	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.2	175.4	67.6	-86.6	-155	0	0	115.1	K72 Y73 R75 P185 G198 R350	K72-E200 WeakPolarHBondContact CE-O 3.49Å; K72-E200 PolarHBondContact NZ-O 3.12Å; Y73-E200 WeakPolarHBondContact OH-CB 3.27Å; R75-E200 VanDerWaalsContact NH1-C 3.33Å; R75-E200 PolarHBondContact NH1-O 3.2Å; P185-E200 HydrophobicContact CG-CB 4.37Å; P185-E200 HydrophobicContact CG-CG 4.06Å; G198-E200 VanDerWaalsContact CA-OE2 3.31Å; G198-E200 WeakPolarHBondContact CA-OE2 3.35Å; G198-E200 PolarHBondContact O-N 3.22Å; E200-R350 VanDerWaalsContact CD-NH1 3.3Å; E200-R350 IonicContact OE1-CZ 3.36Å; E200-R350 IonicContact OE1-NH1 2.68Å; E200-R350 PolarHBondContact OE1-NH1 2.99Å; E200-R350 IonicContact OE1-NH2 3.69Å; E200-R350 PolarHBondContact OE1-NH2 2.77Å; E200-R350 IonicContact OE2-CZ 3.42Å; E200-R350 IonicContact OE2-NH1 3.6Å; E200-R350 PolarHBondContact OE2-NH1 3.21Å
201	S	94.1	Very high	95.4	Very high	80 Å²	80	50.3 Å²	50.3	56%	0.559	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-15.6	-172.6	61.3	0	0	0	0	114.6	G198 Y199	G198-S201 PolarHBondContact O-N 2.04Å; G198-S201 PolarHBondContact O-OG 3.38Å; G198-S201 VanDerWaalsContact O-OG 3.09Å; Y199-S201 VanDerWaalsContact C-N 3.27Å; Y199-S201 PolarHBondContact O-N 2.89Å
202	I	95.7	Very high	95.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	27%	0.27	C	S	.	.	S	Bend	trans	-56.6	155.7	-179.5	63.1	173	0	0	0	113.4	R75 E197 G198 Y199 T226 I349	R75-I202 VanDerWaalsContact CZ-O 3.23Å; R75-I202 PolarHBondContact NH1-O 2.88Å; R75-I202 PolarHBondContact NH2-O 2.86Å; E197-I202 HydrophobicContact CB-CG2 4.03Å; G198-I202 VanDerWaalsContact O-CG2 3.3Å; G198-I202 WeakPolarHBondContact O-CG2 3.4Å; G198-I202 PolarHBondContact O-N 3.3Å; Y199-I202 HydrophobicContact CD2-CD1 4.4Å; I202-T226 HydrophobicContact CD1-CG2 3.57Å; I202-I349 HydrophobicContact CD1-CD1 4.31Å; I202-I349 HydrophobicContact CD1-CG2 4.08Å; I202-I349 HydrophobicContact CG2-CB 4.44Å; I202-I349 HydrophobicContact CG2-CD1 4.18Å; I202-I349 HydrophobicContact CG2-CG1 4.04Å; I202-I349 HydrophobicContact CG2-CG2 3.7Å
203	S	95.8	Very high	96	Very high	33 Å²	33	49.5 Å²	49.5	23%	0.231	27%	0.267	C	S	.	.			trans	-68.6	143.6	169	-177.8	0	0	0	0	111	N205 D208 Y209	S203-N205 PolarHBondContact OG-N 3.42Å; S203-N205 VanDerWaalsContact OG-N 3.13Å; S203-D208 WeakPolarHBondContact CB-OD2 3.01Å; S203-D208 PolarHBondContact OG-OD2 2.93Å; S203-Y209 WeakPolarHBondContact O-CE2 3.32Å; S203-Y209 PolarHBondContact O-OH 3.34Å
204	T	95.9	Very high	96.2	Very high	61 Å²	61	48.8 Å²	48.8	37%	0.374	26%	0.261	S	S	.	.			trans	-101.4	1.6	173.1	52	0	0	0	0	112.4	R75 P206	R75-T204 HydrophobicContact CB-CG2 3.84Å; R75-T204 WeakPolarHBondContact O-CG2 3.37Å; T204-P206 WeakPolarHBondContact O-CD 3.24Å
205	N	96.9	Very high	96.4	Very high	68 Å²	68	41.4 Å²	41.4	36%	0.364	23%	0.227	S	C	.	.			trans	-82	116.4	173.3	179.4	17.6	0	0	0	109.6	S203 D207 D208 Y209	S203-N205 PolarHBondContact OG-N 3.42Å; S203-N205 VanDerWaalsContact OG-N 3.13Å; N205-D207 PolarHBondContact O-N 3.29Å; N205-D207 PolarHBondContact OD1-N 2.89Å; N205-D208 PolarHBondContact ND2-OD1 2.68Å; N205-D208 PolarHBondContact O-N 2.97Å; N205-Y209 WeakPolarHBondContact O-CD2 3.01Å
206	P	95.9	Very high	96.6	Very high	42 Å²	42	39.3 Å²	39.3	27%	0.273	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-59.7	-28.9	179.7	-26.3	37.4	0	0	0	114	T204 D208 Y209 S229 R233	T204-P206 WeakPolarHBondContact O-CD 3.24Å; P206-D208 PolarHBondContact O-N 2.95Å; P206-Y209 PolarHBondContact O-N 3.33Å; P206-Y209 VanDerWaalsContact O-N 3.12Å; P206-S229 WeakPolarHBondContact CB-O 3.49Å; P206-S229 WeakPolarHBondContact CG-O 3.31Å; P206-R233 HydrophobicContact CB-CB 4.31Å; P206-R233 HydrophobicContact CB-CG 3.65Å; P206-R233 VanDerWaalsContact O-CB 3.32Å; P206-R233 WeakPolarHBondContact O-CB 3.23Å
207	D	97.3	Very high	96.7	Very high	78 Å²	78	38.7 Å²	38.7	42%	0.417	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-65.6	-24.3	-179.7	-74.7	-40.7	0	0	0	113.3	N205 Y209 K210 R233	N205-D207 PolarHBondContact O-N 3.29Å; N205-D207 PolarHBondContact OD1-N 2.89Å; D207-Y209 PolarHBondContact O-N 2.72Å; D207-Y209 VanDerWaalsContact O-N 3.16Å; D207-K210 VanDerWaalsContact O-CB 3.27Å; D207-K210 WeakPolarHBondContact O-CB 3.29Å; D207-K210 PolarHBondContact O-N 3.34Å; D207-K210 VanDerWaalsContact O-N 3.13Å; D207-R233 IonicContact OD1-CZ 3.26Å; D207-R233 VanDerWaalsContact OD1-CZ 3.26Å; D207-R233 IonicContact OD1-NE 4Å; D207-R233 IonicContact OD1-NH1 2.61Å; D207-R233 PolarHBondContact OD1-NH1 2.81Å; D207-R233 IonicContact OD1-NH2 3.99Å
208	D	96.8	Very high	96.7	Very high	71 Å²	71	35.9 Å²	35.9	38%	0.38	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-68.9	-13.6	176.9	-62.3	-1	0	0	0	112.3	S203 N205 P206 Q212	S203-D208 WeakPolarHBondContact CB-OD2 3.01Å; S203-D208 PolarHBondContact OG-OD2 2.93Å; N205-D208 PolarHBondContact ND2-OD1 2.68Å; N205-D208 PolarHBondContact O-N 2.97Å; P206-D208 PolarHBondContact O-N 2.95Å; D208-Q212 PolarHBondContact O-NE2 2.92Å; D208-Q212 PolarHBondContact O-OE1 3.45Å
209	Y	97.4	Very high	96.6	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-105.8	5.5	178.7	-57.3	-88	0	0	0	112.6	S203 N205 P206 D207 D211 Q212 V214 I230 A234 R347 I349	S203-Y209 WeakPolarHBondContact O-CE2 3.32Å; S203-Y209 PolarHBondContact O-OH 3.34Å; N205-Y209 WeakPolarHBondContact O-CD2 3.01Å; P206-Y209 PolarHBondContact O-N 3.33Å; P206-Y209 VanDerWaalsContact O-N 3.12Å; D207-Y209 PolarHBondContact O-N 2.72Å; D207-Y209 VanDerWaalsContact O-N 3.16Å; Y209-D211 PolarHBondContact O-N 2.99Å; Y209-Q212 WeakPolarHBondContact O-CB 3.43Å; Y209-Q212 PolarHBondContact O-N 2.63Å; Y209-Q212 VanDerWaalsContact O-N 3.12Å; Y209-V214 HydrophobicContact CD1-CG2 3.97Å; Y209-I230 HydrophobicContact CD1-CD1 4.3Å; Y209-I230 HydrophobicContact CD1-CG2 4.17Å; Y209-I230 HydrophobicContact CD2-CB 4.3Å; Y209-I230 HydrophobicContact CD2-CG2 3.38Å; Y209-I230 HydrophobicContact CE1-CG2 4.42Å; Y209-I230 HydrophobicContact CE2-CG2 3.69Å; Y209-I230 HydrophobicContact CG-CB 4.15Å; Y209-I230 HydrophobicContact CG-CG2 3.63Å; Y209-A234 WeakPolarHBondContact O-CA 3.35Å; Y209-R347 VanDerWaalsContact CZ-NH1 3.32Å; Y209-I349 HydrophobicContact CE1-CD1 3.94Å
210	K	97.7	Very high	96.5	Very high	122 Å²	122	37.9 Å²	37.9	53%	0.53	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	126.6	-176.7	-174.2	-179.5	175.5	-177.1	0	111.5	D207 Q212 R233	D207-K210 VanDerWaalsContact O-CB 3.27Å; D207-K210 WeakPolarHBondContact O-CB 3.29Å; D207-K210 PolarHBondContact O-N 3.34Å; D207-K210 VanDerWaalsContact O-N 3.13Å; K210-Q212 PolarHBondContact O-N 3.5Å; K210-Q212 VanDerWaalsContact O-N 3.09Å; K210-R233 WeakPolarHBondContact CA-O 3.4Å
211	D	96.9	Very high	96.5	Very high	121 Å²	121	37.3 Å²	37.3	65%	0.647	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	15.3	178	-55.2	-44.2	0	0	0	114.9	Y209 R233	Y209-D211 PolarHBondContact O-N 2.99Å; D211-R233 PolarHBondContact N-O 2.88Å
212	Q	96.9	Very high	96.6	Very high	20 Å²	20	35 Å²	35	9%	0.093	20%	0.2	C	C	.	.			trans	-95.3	143.5	179.7	-70.7	172.5	24.4	0	0	112.1	D208 Y209 K210 V214 A234 S235 D346	D208-Q212 PolarHBondContact O-NE2 2.92Å; D208-Q212 PolarHBondContact O-OE1 3.45Å; Y209-Q212 WeakPolarHBondContact O-CB 3.43Å; Y209-Q212 PolarHBondContact O-N 2.63Å; Y209-Q212 VanDerWaalsContact O-N 3.12Å; K210-Q212 PolarHBondContact O-N 3.5Å; K210-Q212 VanDerWaalsContact O-N 3.09Å; Q212-V214 HydrophobicContact CB-CG2 4.42Å; Q212-A234 WeakPolarHBondContact O-CB 3.24Å; Q212-S235 VanDerWaalsContact C-OG 3.28Å; Q212-S235 PolarHBondContact O-N 2.84Å; Q212-S235 PolarHBondContact O-OG 2.89Å; Q212-D346 HydrophobicContact CB-CB 3.81Å; Q212-D346 HydrophobicContact CG-CB 3.93Å
213	A	97.1	Very high	96.7	Very high	5 Å²	5	34.9 Å²	34.9	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.8	169.1	0	0	0	0	0	110	S235 R236 Y345 D346 R347	A213-S235 PolarHBondContact N-OG 3.18Å; A213-R236 HydrophobicContact CB-CG 3.94Å; A213-Y345 HydrophobicContact CB-CD1 4.23Å; A213-Y345 CarbonylContact O-C 3.48Å; A213-Y345 WeakPolarHBondContact O-CA 3.48Å; A213-D346 PolarHBondContact N-OD2 2.67Å; A213-D346 PolarHBondContact O-N 2.91Å; A213-R347 PolarHBondContact O-N 3.42Å
214	V	97.9	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.7	-173.9	-175.6	0	0	0	0	111.1	Y209 Q212 I216 I230 A234 R236 V237 H238 I349	Y209-V214 HydrophobicContact CD1-CG2 3.97Å; Q212-V214 HydrophobicContact CB-CG2 4.42Å; V214-I216 HydrophobicContact CG1-CG1 4.19Å; V214-I230 HydrophobicContact CB-CD1 3.99Å; V214-I230 HydrophobicContact CG1-CD1 3.85Å; V214-I230 HydrophobicContact CG2-CD1 4.05Å; V214-A234 HydrophobicContact CG2-CB 4.3Å; V214-R236 PolarHBondContact N-O 3.03Å; V214-V237 WeakPolarHBondContact O-CA 3.47Å; V214-H238 PolarHBondContact O-N 3.03Å; V214-I349 HydrophobicContact CG1-CD1 3.74Å; V214-I349 HydrophobicContact CG1-CG1 4.21Å
215	L	97.8	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.5	170.1	178	67.7	0	0	0	110.1	L217 H238 L240 L310 Y345 R347 V348 I349	L215-L217 HydrophobicContact CD2-CD2 3.99Å; L215-L217 HydrophobicContact CG-CD2 4.14Å; L215-H238 CarbonylContact C-O 3.54Å; L215-H238 WeakPolarHBondContact CA-O 3.25Å; L215-H238 HydrophobicContact CD1-CB 4.02Å; L215-L240 HydrophobicContact CD1-CB 4.19Å; L215-L310 HydrophobicContact CD2-CD1 3.33Å; L215-Y345 HydrophobicContact CB-CD1 3.67Å; L215-Y345 HydrophobicContact CB-CD2 4.03Å; L215-Y345 HydrophobicContact CB-CE1 3.89Å; L215-Y345 HydrophobicContact CB-CE2 4.23Å; L215-Y345 HydrophobicContact CB-CG 3.75Å; L215-Y345 HydrophobicContact CD1-CE1 4.42Å; L215-Y345 HydrophobicContact CD2-CD2 4.29Å; L215-Y345 HydrophobicContact CD2-CE2 4.19Å; L215-R347 PolarHBondContact N-O 2.93Å; L215-V348 HydrophobicContact CB-CG1 4.45Å; L215-V348 HydrophobicContact CB-CG2 4.19Å; L215-V348 HydrophobicContact CD2-CG1 4.11Å; L215-V348 HydrophobicContact CD2-CG2 4.15Å; L215-V348 HydrophobicContact CG-CG1 4.36Å; L215-V348 CarbonylContact O-C 3.59Å; L215-V348 VanDerWaalsContact O-CA 3.28Å; L215-V348 WeakPolarHBondContact O-CA 3.25Å; L215-I349 PolarHBondContact O-N 3.28Å
216	I	98	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.5	175.8	-58.2	174.2	0	0	0	109.4	V214 A223 T226 A227 V237 H238 M239 L240 I349 C351	V214-I216 HydrophobicContact CG1-CG1 4.19Å; I216-A223 HydrophobicContact CG2-CB 3.77Å; I216-T226 HydrophobicContact CD1-CG2 4.05Å; I216-A227 HydrophobicContact CD1-CB 3.81Å; I216-V237 HydrophobicContact CD1-CG1 3.75Å; I216-V237 HydrophobicContact CG1-CG1 4.35Å; I216-H238 PolarHBondContact N-O 2.94Å; I216-M239 HydrophobicContact CB-CG 4.32Å; I216-M239 CarbonylContact O-C 3.55Å; I216-M239 VanDerWaalsContact O-CA 3.28Å; I216-M239 WeakPolarHBondContact O-CA 3.27Å; I216-L240 PolarHBondContact O-N 3.24Å; I216-I349 CarbonylContact C-O 3.53Å; I216-I349 WeakPolarHBondContact CA-O 3.3Å; I216-I349 HydrophobicContact CG1-CB 4.42Å; I216-C351 HydrophobicContact CG2-CB 3.99Å
217	L	97.3	Very high	96.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.5	174	-50.2	179.4	0	0	0	109.1	F190 A196 L215 L240 L281 I286 V348 I349 C351 L352	F190-L217 HydrophobicContact CE1-CD1 4.26Å; F190-L217 HydrophobicContact CZ-CD1 3.73Å; A196-L217 HydrophobicContact CB-CD1 4.43Å; L215-L217 HydrophobicContact CD2-CD2 3.99Å; L215-L217 HydrophobicContact CG-CD2 4.14Å; L217-L240 CarbonylContact C-O 3.54Å; L217-L240 HydrophobicContact CD2-CB 4.17Å; L217-L240 HydrophobicContact CD2-CD2 4.09Å; L217-L281 HydrophobicContact CB-CD2 4.36Å; L217-L281 HydrophobicContact CD1-CD2 4.12Å; L217-L281 HydrophobicContact CD2-CD2 4.13Å; L217-L281 HydrophobicContact CG-CD2 4.44Å; L217-I286 HydrophobicContact CD1-CD1 4.48Å; L217-V348 HydrophobicContact CD1-CG1 3.87Å; L217-V348 HydrophobicContact CD2-CG1 4.21Å; L217-V348 HydrophobicContact CG-CG1 3.83Å; L217-I349 PolarHBondContact N-O 3.49Å; L217-C351 CarbonylContact O-C 3.55Å; L217-C351 WeakPolarHBondContact O-CA 3.44Å; L217-C351 PolarHBondContact O-N 2.85Å; L217-L352 HydrophobicContact CB-CD2 4.15Å; L217-L352 WeakPolarHBondContact O-CD2 3.42Å
218	G	95.8	Very high	96.8	Very high	7 Å²	7	23.9 Å²	23.9	7%	0.072	13%	0.131	C	C	.	.			trans	127.1	152.9	-177.3	0	0	0	0	0	112.6	A223 M239 L240	G218-A223 VanDerWaalsContact O-CB 3.24Å; G218-A223 WeakPolarHBondContact O-CB 3.35Å; G218-M239 WeakPolarHBondContact O-CE 3.43Å; G218-L240 PolarHBondContact N-O 3.28Å
219	K	95.7	Very high	96.8	Very high	20 Å²	20	22 Å²	22	9%	0.087	12%	0.124	C	C	.	.			trans	-132.1	32.6	175.4	-66.6	-176.7	-156.3	151	0	112.2	F224 M239 S241 S243 V245 A277 E278	K219-F224 HydrophobicContact CB-CE2 4Å; K219-F224 WeakPolarHBondContact O-CE2 3.38Å; K219-M239 HydrophobicContact CG-CB 4.33Å; K219-S241 VanDerWaalsContact CD-OG 3.28Å; K219-S241 WeakPolarHBondContact CD-OG 3.44Å; K219-S241 WeakPolarHBondContact CE-OG 3.4Å; K219-S241 VanDerWaalsContact CG-OG 3.3Å; K219-S241 WeakPolarHBondContact CG-OG 3.43Å; K219-S243 PolarHBondContact NZ-O 3.31Å; K219-V245 HydrophobicContact CB-CG2 4.38Å; K219-V245 HydrophobicContact CD-CG2 3.73Å; K219-V245 HydrophobicContact CG-CG2 4.47Å; K219-A277 WeakPolarHBondContact CE-O 3.48Å; K219-A277 PolarHBondContact NZ-O 3.06Å; K219-E278 IonicContact NZ-OE1 3.81Å; K219-E278 PolarHBondContact NZ-OE1 3.28Å
220	G	94.8	Very high	96.7	Very high	34 Å²	34	22 Å²	22	35%	0.351	12%	0.124	S	C	.	.	S	Bend	trans	-95.8	176.2	172.9	0	0	0	0	0	112.1	S222 A223 F224	G220-S222 VanDerWaalsContact C-N 3.28Å; G220-S222 PolarHBondContact O-N 2.79Å; G220-S222 VanDerWaalsContact O-N 3.17Å; G220-A223 WeakPolarHBondContact O-CA 3.47Å; G220-A223 WeakPolarHBondContact O-CB 3.37Å; G220-A223 PolarHBondContact O-N 3.12Å; G220-F224 WeakPolarHBondContact O-CD2 3.15Å; G220-F224 PolarHBondContact O-N 3.27Å; G220-F224 VanDerWaalsContact O-N 3.09Å
221	N	95.7	Very high	96.6	Very high	18 Å²	18	17.6 Å²	17.6	10%	0.096	11%	0.106	C	C	.	.	H	α-helix	trans	-53.7	-39.1	-176.7	-75	-68	0	0	0	113.9	I80 A223 F224 E225 G255 D256 R258	I80-N221 HydrophobicContact CD1-CB 3.98Å; N221-A223 VanDerWaalsContact C-N 3.32Å; N221-A223 PolarHBondContact O-N 3.41Å; N221-F224 PolarHBondContact O-N 2.85Å; N221-E225 PolarHBondContact O-N 2.67Å; N221-G255 PolarHBondContact ND2-O 3.02Å; N221-D256 PolarHBondContact ND2-O 2.82Å; N221-R258 PolarHBondContact OD1-N 3.46Å
222	S	95.6	Very high	96.5	Very high	32 Å²	32	15.3 Å²	15.3	22%	0.224	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-34.2	175.7	-57.2	0	0	0	0	113.6	G220 E225 T226	G220-S222 VanDerWaalsContact C-N 3.28Å; G220-S222 PolarHBondContact O-N 2.79Å; G220-S222 VanDerWaalsContact O-N 3.17Å; S222-E225 VanDerWaalsContact O-CG 3.25Å; S222-E225 WeakPolarHBondContact O-CG 3.28Å; S222-T226 WeakPolarHBondContact O-CB 3.37Å; S222-T226 PolarHBondContact O-N 3.12Å; S222-T226 PolarHBondContact O-OG1 3.2Å
223	A	97.2	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-71.1	-42.8	176.3	0	0	0	0	0	110.7	I216 G218 G220 N221 T226 A227 M239 C351	I216-A223 HydrophobicContact CG2-CB 3.77Å; G218-A223 VanDerWaalsContact O-CB 3.24Å; G218-A223 WeakPolarHBondContact O-CB 3.35Å; G220-A223 WeakPolarHBondContact O-CA 3.47Å; G220-A223 WeakPolarHBondContact O-CB 3.37Å; G220-A223 PolarHBondContact O-N 3.12Å; N221-A223 VanDerWaalsContact C-N 3.32Å; N221-A223 PolarHBondContact O-N 3.41Å; A223-T226 PolarHBondContact O-N 2.88Å; A223-A227 WeakPolarHBondContact O-CB 3.37Å; A223-A227 PolarHBondContact O-N 3.15Å; A223-M239 HydrophobicContact CB-CE 3.46Å; A223-M239 VanDerWaalsContact CB-CE 3.46Å; A223-C351 HydrophobicContact CB-CB 3.55Å
224	F	97.6	Very high	96.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-71.1	-38.5	-179.6	-86.9	-86.8	0	0	0	113.4	K219 G220 N221 T226 A227 Q228 M239 V245 L257 N261 V264 L265 L276	K219-F224 HydrophobicContact CB-CE2 4Å; K219-F224 WeakPolarHBondContact O-CE2 3.38Å; G220-F224 WeakPolarHBondContact O-CD2 3.15Å; G220-F224 PolarHBondContact O-N 3.27Å; G220-F224 VanDerWaalsContact O-N 3.09Å; N221-F224 PolarHBondContact O-N 2.85Å; F224-T226 VanDerWaalsContact C-N 3.25Å; F224-T226 PolarHBondContact O-N 2.91Å; F224-A227 PolarHBondContact O-N 3.11Å; F224-Q228 WeakPolarHBondContact O-CB 3.38Å; F224-Q228 PolarHBondContact O-N 3.08Å; F224-M239 HydrophobicContact CD1-CE 4.36Å; F224-M239 HydrophobicContact CD1-SD 4.26Å; F224-M239 HydrophobicContact CD2-CE 3.72Å; F224-M239 HydrophobicContact CE1-CE 4.44Å; F224-M239 HydrophobicContact CE1-SD 4.04Å; F224-M239 HydrophobicContact CE2-CE 3.82Å; F224-M239 HydrophobicContact CE2-SD 4.31Å; F224-M239 HydrophobicContact CG-CE 3.99Å; F224-M239 HydrophobicContact CG-SD 4.48Å; F224-M239 HydrophobicContact CZ-CE 4.17Å; F224-M239 HydrophobicContact CZ-SD 4.04Å; F224-V245 HydrophobicContact CE2-CG1 4.31Å; F224-V245 HydrophobicContact CE2-CG2 4.26Å; F224-V245 HydrophobicContact CZ-CG1 4.09Å; F224-V245 HydrophobicContact CZ-CG2 3.85Å; F224-L257 HydrophobicContact CB-CD1 3.49Å; F224-L257 VanDerWaalsContact CB-CD1 3.49Å; F224-L257 HydrophobicContact CD1-CD1 3.73Å; F224-L257 HydrophobicContact CD1-CD2 3.69Å; F224-L257 HydrophobicContact CD1-CG 4.36Å; F224-L257 HydrophobicContact CD2-CD1 3.54Å; F224-L257 HydrophobicContact CD2-CD2 3.96Å; F224-L257 HydrophobicContact CD2-CG 4.24Å; F224-L257 HydrophobicContact CE1-CD1 4.34Å; F224-L257 HydrophobicContact CE1-CD2 3.43Å; F224-L257 VanDerWaalsContact CE1-CD2 3.43Å; F224-L257 HydrophobicContact CE2-CD1 4.18Å; F224-L257 HydrophobicContact CE2-CD2 3.72Å; F224-L257 HydrophobicContact CE2-CG 4.41Å; F224-L257 HydrophobicContact CG-CD1 3.29Å; F224-L257 HydrophobicContact CG-CD2 3.96Å; F224-L257 HydrophobicContact CG-CG 4.24Å; F224-L257 HydrophobicContact CZ-CD2 3.48Å; F224-L257 VanDerWaalsContact CZ-CD2 3.48Å; F224-N261 HydrophobicContact CB-CB 3.97Å; F224-N261 WeakPolarHBondContact CB-O 3.31Å; F224-N261 WeakPolarHBondContact CD1-O 3.36Å; F224-V264 HydrophobicContact CD1-CG1 3.4Å; F224-V264 VanDerWaalsContact CD1-CG1 3.4Å; F224-V264 HydrophobicContact CE1-CG1 3.26Å; F224-V264 HydrophobicContact CZ-CG1 4.4Å; F224-L265 HydrophobicContact CE1-CD2 3.79Å; F224-L265 HydrophobicContact CE1-CG 4.04Å; F224-L265 HydrophobicContact CZ-CD2 3.99Å; F224-L276 HydrophobicContact CZ-CD2 4.49Å
225	E	96.6	Very high	96.4	Very high	12 Å²	12	22.9 Å²	22.9	6%	0.056	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-36.1	171.8	67.1	173.2	-128	0	0	111.7	P74 R75 H76 Y199 N221 S222 S229	P74-E225 WeakPolarHBondContact CB-OE2 3.41Å; R75-E225 PolarHBondContact N-OE1 3.37Å; H76-E225 IonicContact CE1-OE1 3.29Å; H76-E225 IonicContact CG-OE1 2.6Å; H76-E225 IonicContact ND1-OE1 2.73Å; H76-E225 PolarHBondContact ND1-OE1 2.93Å; Y199-E225 HydrophobicContact CE2-CG 4.47Å; Y199-E225 WeakPolarHBondContact CE2-OE1 3.49Å; Y199-E225 VanDerWaalsContact OH-CD 3.31Å; Y199-E225 PolarHBondContact OH-OE1 2.95Å; N221-E225 PolarHBondContact O-N 2.67Å; S222-E225 VanDerWaalsContact O-CG 3.25Å; S222-E225 WeakPolarHBondContact O-CG 3.28Å; E225-S229 WeakPolarHBondContact O-CB 3.46Å; E225-S229 PolarHBondContact O-N 3.23Å
226	T	97.3	Very high	96.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-49.5	178.5	-57.4	0	0	0	0	109.3	I202 I216 S222 A223 F224 Q228 S229 I230 I349	I202-T226 HydrophobicContact CD1-CG2 3.57Å; I216-T226 HydrophobicContact CD1-CG2 4.05Å; S222-T226 WeakPolarHBondContact O-CB 3.37Å; S222-T226 PolarHBondContact O-N 3.12Å; S222-T226 PolarHBondContact O-OG1 3.2Å; A223-T226 PolarHBondContact O-N 2.88Å; F224-T226 VanDerWaalsContact C-N 3.25Å; F224-T226 PolarHBondContact O-N 2.91Å; T226-Q228 PolarHBondContact O-N 3.45Å; T226-S229 PolarHBondContact O-N 3.46Å; T226-S229 PolarHBondContact O-OG 3.23Å; T226-I230 WeakPolarHBondContact O-CG1 3.46Å; T226-I230 PolarHBondContact O-N 3.09Å; T226-I349 HydrophobicContact CG2-CD1 4.1Å
227	A	97.4	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-54.7	-50.2	175.4	0	0	0	0	0	111.6	I216 A223 F224 S229 I230 L231 V237 M239 V264	I216-A227 HydrophobicContact CD1-CB 3.81Å; A223-A227 WeakPolarHBondContact O-CB 3.37Å; A223-A227 PolarHBondContact O-N 3.15Å; F224-A227 PolarHBondContact O-N 3.11Å; A227-S229 VanDerWaalsContact C-N 3.33Å; A227-S229 PolarHBondContact O-N 2.82Å; A227-I230 WeakPolarHBondContact O-CG1 3.45Å; A227-I230 PolarHBondContact O-N 3.36Å; A227-L231 WeakPolarHBondContact O-CB 3.34Å; A227-L231 PolarHBondContact O-N 2.79Å; A227-V237 HydrophobicContact CB-CG1 3.9Å; A227-M239 HydrophobicContact CB-SD 4.06Å; A227-V264 HydrophobicContact CB-CB 4.32Å; A227-V264 HydrophobicContact CB-CG1 4.34Å; A227-V264 HydrophobicContact CB-CG2 4.32Å
228	Q	95.6	Very high	96.3	Very high	37 Å²	37	25.8 Å²	25.8	17%	0.173	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-39.9	-178.9	-173.8	161.1	-52.9	0	0	112.5	F224 T226 I230 L231 V260 N261 E263	F224-Q228 WeakPolarHBondContact O-CB 3.38Å; F224-Q228 PolarHBondContact O-N 3.08Å; T226-Q228 PolarHBondContact O-N 3.45Å; Q228-I230 VanDerWaalsContact C-N 3.26Å; Q228-I230 PolarHBondContact O-N 3.35Å; Q228-L231 WeakPolarHBondContact O-CB 3.46Å; Q228-L231 PolarHBondContact O-N 2.88Å; Q228-V260 PolarHBondContact NE2-O 3.4Å; Q228-V260 PolarHBondContact OE1-O 3.1Å; Q228-N261 PolarHBondContact OE1-O 3.43Å; Q228-E263 VanDerWaalsContact CD-CD 3.45Å; Q228-E263 HydrophobicContact CG-CB 4.31Å; Q228-E263 HydrophobicContact CG-CG 4.43Å; Q228-E263 WeakPolarHBondContact CG-OE2 3.27Å
229	S	95.8	Very high	96.4	Very high	32 Å²	32	25.5 Å²	25.5	22%	0.224	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-29.8	-179.5	74.3	0	0	0	0	114.2	H76 P206 E225 T226 A227	H76-S229 WeakPolarHBondContact CD2-CB 3.39Å; H76-S229 PolarHBondContact CD2-OG 3.03Å; H76-S229 VanDerWaalsContact CD2-OG 3.23Å; H76-S229 WeakPolarHBondContact NE2-CB 3.39Å; H76-S229 PolarHBondContact NE2-OG 3.03Å; P206-S229 WeakPolarHBondContact CB-O 3.49Å; P206-S229 WeakPolarHBondContact CG-O 3.31Å; E225-S229 WeakPolarHBondContact O-CB 3.46Å; E225-S229 PolarHBondContact O-N 3.23Å; T226-S229 PolarHBondContact O-N 3.46Å; T226-S229 PolarHBondContact O-OG 3.23Å; A227-S229 VanDerWaalsContact C-N 3.33Å; A227-S229 PolarHBondContact O-N 2.82Å
230	I	96.7	Very high	96.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-104	-7.5	-177.2	70.3	179.8	0	0	0	112.5	Y209 V214 T226 A227 Q228 G232 R233 A234 V237	Y209-I230 HydrophobicContact CD1-CD1 4.3Å; Y209-I230 HydrophobicContact CD1-CG2 4.17Å; Y209-I230 HydrophobicContact CD2-CB 4.3Å; Y209-I230 HydrophobicContact CD2-CG2 3.38Å; Y209-I230 HydrophobicContact CE1-CG2 4.42Å; Y209-I230 HydrophobicContact CE2-CG2 3.69Å; Y209-I230 HydrophobicContact CG-CB 4.15Å; Y209-I230 HydrophobicContact CG-CG2 3.63Å; V214-I230 HydrophobicContact CB-CD1 3.99Å; V214-I230 HydrophobicContact CG1-CD1 3.85Å; V214-I230 HydrophobicContact CG2-CD1 4.05Å; T226-I230 WeakPolarHBondContact O-CG1 3.46Å; T226-I230 PolarHBondContact O-N 3.09Å; A227-I230 WeakPolarHBondContact O-CG1 3.45Å; A227-I230 PolarHBondContact O-N 3.36Å; Q228-I230 VanDerWaalsContact C-N 3.26Å; Q228-I230 PolarHBondContact O-N 3.35Å; I230-G232 VanDerWaalsContact C-N 3.25Å; I230-G232 PolarHBondContact O-N 3.44Å; I230-R233 PolarHBondContact O-N 3.05Å; I230-A234 HydrophobicContact CB-CB 4.46Å; I230-A234 HydrophobicContact CD1-CB 4.45Å; I230-A234 HydrophobicContact CG1-CB 4.32Å; I230-A234 WeakPolarHBondContact O-CB 3.44Å; I230-A234 PolarHBondContact O-N 3.41Å; I230-V237 HydrophobicContact CD1-CG2 3.98Å; I230-V237 HydrophobicContact CG1-CG2 3.83Å
231	L	94.7	Very high	96.4	Very high	29 Å²	29	23.7 Å²	23.7	15%	0.152	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-42.2	-172.2	-167.5	64.6	0	0	0	112.5	A227 Q228 R233 E263 V264 T267 D274	A227-L231 WeakPolarHBondContact O-CB 3.34Å; A227-L231 PolarHBondContact O-N 2.79Å; Q228-L231 WeakPolarHBondContact O-CB 3.46Å; Q228-L231 PolarHBondContact O-N 2.88Å; L231-R233 VanDerWaalsContact C-N 3.31Å; L231-R233 PolarHBondContact O-N 3.37Å; L231-E263 HydrophobicContact CD2-CB 3.96Å; L231-V264 HydrophobicContact CD1-CB 4.3Å; L231-V264 HydrophobicContact CD1-CG2 4.01Å; L231-T267 HydrophobicContact CD1-CG2 4.28Å; L231-T267 HydrophobicContact CD2-CG2 3.9Å; L231-T267 HydrophobicContact CG-CG2 4.3Å; L231-D274 WeakPolarHBondContact CD1-OD2 3.42Å
232	G	94.4	Very high	96.1	Very high	73 Å²	73	26.1 Å²	26.1	75%	0.753	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	0.4	-179.9	0	0	0	0	0	115.4	I230	I230-G232 VanDerWaalsContact C-N 3.25Å; I230-G232 PolarHBondContact O-N 3.44Å
233	R	96.9	Very high	95.8	Very high	117 Å²	117	27 Å²	27	44%	0.442	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-37.7	-175.5	-61.8	-56.2	-177.4	121	11.2	113.9	P206 D207 K210 D211 I230 L231	P206-R233 HydrophobicContact CB-CB 4.31Å; P206-R233 HydrophobicContact CB-CG 3.65Å; P206-R233 VanDerWaalsContact O-CB 3.32Å; P206-R233 WeakPolarHBondContact O-CB 3.23Å; D207-R233 IonicContact OD1-CZ 3.26Å; D207-R233 VanDerWaalsContact OD1-CZ 3.26Å; D207-R233 IonicContact OD1-NE 4Å; D207-R233 IonicContact OD1-NH1 2.61Å; D207-R233 PolarHBondContact OD1-NH1 2.81Å; D207-R233 IonicContact OD1-NH2 3.99Å; K210-R233 WeakPolarHBondContact CA-O 3.4Å; D211-R233 PolarHBondContact N-O 2.88Å; I230-R233 PolarHBondContact O-N 3.05Å; L231-R233 VanDerWaalsContact C-N 3.31Å; L231-R233 PolarHBondContact O-N 3.37Å
234	A	97.4	Very high	95.6	Very high	14 Å²	14	31.6 Å²	31.6	12%	0.116	20%	0.195	C	C	.	.	S	Bend	trans	-65.5	149.6	174.2	0	0	0	0	0	111	Y209 Q212 V214 I230 R236 V237	Y209-A234 WeakPolarHBondContact O-CA 3.35Å; Q212-A234 WeakPolarHBondContact O-CB 3.24Å; V214-A234 HydrophobicContact CG2-CB 4.3Å; I230-A234 HydrophobicContact CB-CB 4.46Å; I230-A234 HydrophobicContact CD1-CB 4.45Å; I230-A234 HydrophobicContact CG1-CB 4.32Å; I230-A234 WeakPolarHBondContact O-CB 3.44Å; I230-A234 PolarHBondContact O-N 3.41Å; A234-R236 VanDerWaalsContact C-N 3.26Å; A234-R236 PolarHBondContact O-N 3.27Å; A234-V237 HydrophobicContact CB-CG2 3.87Å
235	S	96.4	Very high	95.4	Very high	54 Å²	54	33.1 Å²	33.1	38%	0.378	20%	0.204	S	C	.	.	S	Bend	trans	-70	-29.2	176.1	72.6	0	0	0	0	112	Q212 A213	Q212-S235 VanDerWaalsContact C-OG 3.28Å; Q212-S235 PolarHBondContact O-N 2.84Å; Q212-S235 PolarHBondContact O-OG 2.89Å; A213-S235 PolarHBondContact N-OG 3.18Å
236	R	95.9	Very high	95.3	Very high	44 Å²	44	36.6 Å²	36.6	17%	0.166	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	149.3	173	62.5	-173.8	179.6	158	11.7	110.3	A213 V214 A234 L273 K343 P344	A213-R236 HydrophobicContact CB-CG 3.94Å; V214-R236 PolarHBondContact N-O 3.03Å; A234-R236 VanDerWaalsContact C-N 3.26Å; A234-R236 PolarHBondContact O-N 3.27Å; R236-L273 HydrophobicContact CB-CB 4.15Å; R236-K343 VanDerWaalsContact NH2-C 3.29Å; R236-K343 PolarHBondContact NH2-O 3.06Å; R236-P344 PolarHBondContact NH2-O 2.86Å
237	V	97.6	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.3	176.4	-174	0	0	0	0	109.3	V214 I216 A227 I230 A234 D274 G275	V214-V237 WeakPolarHBondContact O-CA 3.47Å; I216-V237 HydrophobicContact CD1-CG1 3.75Å; I216-V237 HydrophobicContact CG1-CG1 4.35Å; A227-V237 HydrophobicContact CB-CG1 3.9Å; I230-V237 HydrophobicContact CD1-CG2 3.98Å; I230-V237 HydrophobicContact CG1-CG2 3.83Å; A234-V237 HydrophobicContact CB-CG2 3.87Å; V237-D274 WeakPolarHBondContact CA-OD1 3.49Å; V237-D274 WeakPolarHBondContact CB-OD1 3.22Å; V237-D274 PolarHBondContact N-OD1 3.36Å; V237-D274 WeakPolarHBondContact O-CA 3.19Å; V237-D274 WeakPolarHBondContact O-CB 3.39Å; V237-G275 PolarHBondContact O-N 3.38Å
238	H	97.6	Very high	95	Very high	17 Å²	17	38.2 Å²	38.2	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.9	172.4	-68.9	179.1	0	0	0	110.4	V214 L215 I216 L273 G275 S340 Y345	V214-H238 PolarHBondContact O-N 3.03Å; L215-H238 CarbonylContact C-O 3.54Å; L215-H238 WeakPolarHBondContact CA-O 3.25Å; L215-H238 HydrophobicContact CD1-CB 4.02Å; I216-H238 PolarHBondContact N-O 2.94Å; H238-L273 PolarHBondContact NE2-O 2.84Å; H238-G275 CarbonylContact C-O 3.58Å; H238-G275 VanDerWaalsContact CA-O 3.26Å; H238-G275 WeakPolarHBondContact CA-O 3.5Å; H238-G275 PolarHBondContact CD2-N 2.87Å; H238-S340 PolarHBondContact CE1-O 3.4Å; H238-Y345 HydrophobicContact CB-CE1 4.01Å; H238-Y345 AromaticContact ND1-CE1 3.65Å; H238-Y345 AromaticContact ND1-CZ 3.68Å; H238-Y345 PolarHBondContact ND1-OH 3.11Å
239	M	97.3	Very high	94.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.9	177.6	-48.6	177.4	70.2	0	0	111.5	I216 G218 K219 A223 F224 A227 V264 G275 L276 A277	I216-M239 HydrophobicContact CB-CG 4.32Å; I216-M239 CarbonylContact O-C 3.55Å; I216-M239 VanDerWaalsContact O-CA 3.28Å; I216-M239 WeakPolarHBondContact O-CA 3.27Å; G218-M239 WeakPolarHBondContact O-CE 3.43Å; K219-M239 HydrophobicContact CG-CB 4.33Å; A223-M239 HydrophobicContact CB-CE 3.46Å; A223-M239 VanDerWaalsContact CB-CE 3.46Å; F224-M239 HydrophobicContact CD1-CE 4.36Å; F224-M239 HydrophobicContact CD1-SD 4.26Å; F224-M239 HydrophobicContact CD2-CE 3.72Å; F224-M239 HydrophobicContact CE1-CE 4.44Å; F224-M239 HydrophobicContact CE1-SD 4.04Å; F224-M239 HydrophobicContact CE2-CE 3.82Å; F224-M239 HydrophobicContact CE2-SD 4.31Å; F224-M239 HydrophobicContact CG-CE 3.99Å; F224-M239 HydrophobicContact CG-SD 4.48Å; F224-M239 HydrophobicContact CZ-CE 4.17Å; F224-M239 HydrophobicContact CZ-SD 4.04Å; A227-M239 HydrophobicContact CB-SD 4.06Å; M239-V264 HydrophobicContact SD-CG1 3.92Å; M239-G275 PolarHBondContact N-O 3.03Å; M239-L276 HydrophobicContact CB-CD2 3.69Å; M239-L276 HydrophobicContact CG-CD2 3.93Å; M239-L276 WeakPolarHBondContact O-CA 3.47Å; M239-L276 HydrophobicContact SD-CD2 3.73Å; M239-A277 PolarHBondContact O-N 3.27Å
240	L	95.6	Very high	94.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.8	-176.9	-171	70.9	0	0	0	110.9	L215 I216 L217 G218 A277 A279 V284 L310 L341	L215-L240 HydrophobicContact CD1-CB 4.19Å; I216-L240 PolarHBondContact O-N 3.24Å; L217-L240 CarbonylContact C-O 3.54Å; L217-L240 HydrophobicContact CD2-CB 4.17Å; L217-L240 HydrophobicContact CD2-CD2 4.09Å; G218-L240 PolarHBondContact N-O 3.28Å; L240-A277 WeakPolarHBondContact CA-O 3.27Å; L240-A277 HydrophobicContact CD1-CB 3.68Å; L240-A279 HydrophobicContact CD1-CB 3.78Å; L240-A279 HydrophobicContact CD2-CB 4.34Å; L240-A279 HydrophobicContact CG-CB 4.29Å; L240-V284 HydrophobicContact CD2-CG1 4.3Å; L240-V284 HydrophobicContact CD2-CG2 3.84Å; L240-L310 HydrophobicContact CD2-CD1 3.76Å; L240-L341 HydrophobicContact CD1-CD1 3.95Å
241	S	94.2	Very high	94.3	Very high	15 Å²	15	45.2 Å²	45.2	11%	0.105	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	163.6	166.7	77	0	0	0	0	111.6	K219 S243 A277 E278 A279	K219-S241 VanDerWaalsContact CD-OG 3.28Å; K219-S241 WeakPolarHBondContact CD-OG 3.44Å; K219-S241 WeakPolarHBondContact CE-OG 3.4Å; K219-S241 VanDerWaalsContact CG-OG 3.3Å; K219-S241 WeakPolarHBondContact CG-OG 3.43Å; S241-S243 PolarHBondContact O-N 2.88Å; S241-S243 VanDerWaalsContact O-N 3.11Å; S241-S243 PolarHBondContact OG-O 3.23Å; S241-A277 PolarHBondContact N-O 2.68Å; S241-E278 VanDerWaalsContact O-CA 3.28Å; S241-E278 WeakPolarHBondContact O-CA 3.44Å; S241-A279 CarbonylContact C-O 3.48Å; S241-A279 VanDerWaalsContact C-O 3.23Å; S241-A279 PolarHBondContact O-N 2.86Å
242	S	89.8	Confident	94.2	Very high	68 Å²	68	45.8 Å²	45.8	48%	0.476	26%	0.256	S	S	.	.	S	Bend	trans	-68.9	-7.5	-179.3	69.8	0	0	0	0	114.7	A279	S242-A279 VanDerWaalsContact CA-O 3.32Å; S242-A279 WeakPolarHBondContact CA-O 3.2Å; S242-A279 PolarHBondContact N-O 2.83Å; S242-A279 VanDerWaalsContact N-O 3.14Å
243	S	89.8	Confident	94.2	Very high	51 Å²	51	43 Å²	43	36%	0.357	22%	0.223	S	C	.	.	S	Bend	trans	-128.6	156.6	-177.1	57.1	0	0	0	0	111.5	K219 S241	K219-S243 PolarHBondContact NZ-O 3.31Å; S241-S243 PolarHBondContact O-N 2.88Å; S241-S243 VanDerWaalsContact O-N 3.11Å; S241-S243 PolarHBondContact OG-O 3.23Å
244	T	92.8	Very high	93.9	Very high	97 Å²	97	38.1 Å²	38.1	60%	0.595	21%	0.207	S	C	*	.			trans	-64.5	159	167.6	56.5	0	0	0	0	110.9	R246	T244-R246 PolarHBondContact O-N 2.84Å
245	V	94.7	Very high	93.7	Very high	32 Å²	32	38.6 Å²	38.6	19%	0.194	21%	0.213	C	C	.	.			trans	-65.5	131.8	173.3	-178.8	0	0	0	0	109	K219 F224 L247 L257 L265 L276	K219-V245 HydrophobicContact CB-CG2 4.38Å; K219-V245 HydrophobicContact CD-CG2 3.73Å; K219-V245 HydrophobicContact CG-CG2 4.47Å; F224-V245 HydrophobicContact CE2-CG1 4.31Å; F224-V245 HydrophobicContact CE2-CG2 4.26Å; F224-V245 HydrophobicContact CZ-CG1 4.09Å; F224-V245 HydrophobicContact CZ-CG2 3.85Å; V245-L247 HydrophobicContact CG1-CD2 3.93Å; V245-L257 HydrophobicContact CG1-CB 4.17Å; V245-L257 HydrophobicContact CG1-CD2 3.65Å; V245-L265 HydrophobicContact CG2-CD2 4.44Å; V245-L276 HydrophobicContact CG2-CD1 3.74Å
246	R	93.9	Very high	93.6	Very high	85 Å²	85	36.6 Å²	36.6	32%	0.321	20%	0.198	S	C	.	.			trans	-107.5	129.4	171.9	-67	169.7	58.9	113.8	3.4	107.9	T244 T251 D256 L257	T244-R246 PolarHBondContact O-N 2.84Å; R246-T251 HydrophobicContact CB-CG2 4.18Å; R246-D256 HydrophobicContact CB-CB 3.93Å; R246-D256 VanDerWaalsContact CB-CG 3.46Å; R246-D256 WeakPolarHBondContact CB-OD2 3.3Å; R246-D256 IonicContact CZ-OD2 2.97Å; R246-D256 IonicContact NE-OD1 3.51Å; R246-D256 IonicContact NE-OD2 3.86Å; R246-D256 PolarHBondContact NE-OD2 3.47Å; R246-D256 IonicContact NH2-OD2 3.98Å; R246-D256 PolarHBondContact NH2-OD2 3.48Å; R246-D256 WeakPolarHBondContact O-CB 3.27Å; R246-L257 WeakPolarHBondContact O-CB 3.34Å; R246-L257 PolarHBondContact O-N 3.43Å
247	L	94.8	Very high	93.6	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.136	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-98.3	131.5	-176.9	-58.7	169.1	0	0	0	109.3	V245 W249 Q250 T251 L257 L265	V245-L247 HydrophobicContact CG1-CD2 3.93Å; L247-W249 HydrophobicContact CB-CD2 3.98Å; L247-W249 HydrophobicContact CB-CE3 4.2Å; L247-W249 HydrophobicContact CB-CH2 4.14Å; L247-W249 HydrophobicContact CB-CZ2 3.92Å; L247-W249 HydrophobicContact CB-CZ3 4.25Å; L247-W249 HydrophobicContact CD1-CH2 4.13Å; L247-W249 HydrophobicContact CD1-CZ2 3.52Å; L247-W249 HydrophobicContact CD2-CH2 3.65Å; L247-W249 HydrophobicContact CD2-CZ2 3.95Å; L247-W249 HydrophobicContact CD2-CZ3 4.17Å; L247-W249 HydrophobicContact CG-CH2 4.16Å; L247-W249 HydrophobicContact CG-CZ2 3.98Å; L247-W249 PolarHBondContact O-N 3.21Å; L247-Q250 HydrophobicContact CB-CB 4.32Å; L247-Q250 HydrophobicContact CB-CG 4.02Å; L247-Q250 HydrophobicContact CD1-CG 4.4Å; L247-Q250 PolarHBondContact O-N 2.89Å; L247-T251 PolarHBondContact O-N 3.33Å; L247-T251 PolarHBondContact O-OG1 3.45Å; L247-L257 HydrophobicContact CD2-CB 4.34Å; L247-L257 HydrophobicContact CD2-CD2 3.96Å; L247-L257 HydrophobicContact CD2-CG 4.42Å; L247-L265 HydrophobicContact CD2-CD1 3.93Å
248	A	94.1	Very high	93.5	Very high	8 Å²	8	35.6 Å²	35.6	7%	0.066	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-34.4	-174.7	0	0	0	0	0	112.5	Q250 H252 Y253 L257	A248-Q250 VanDerWaalsContact C-N 3.32Å; A248-Q250 PolarHBondContact O-N 3.2Å; A248-H252 VanDerWaalsContact O-CA 3.23Å; A248-H252 WeakPolarHBondContact O-CA 3.38Å; A248-H252 PolarHBondContact O-N 2.81Å; A248-Y253 WeakPolarHBondContact CB-O 3.27Å; A248-Y253 PolarHBondContact O-N 3.09Å; A248-L257 VanDerWaalsContact CB-O 3.31Å; A248-L257 WeakPolarHBondContact CB-O 3.44Å; A248-L257 PolarHBondContact N-O 3.43Å
249	W	89.8	Confident	93.3	Very high	86 Å²	86	37.1 Å²	37.1	33%	0.326	21%	0.209	S	C	.	.	H	α-helix	trans	-74.3	-20.1	177.3	63	88.8	0	0	0	113.7	L247 A259	L247-W249 HydrophobicContact CB-CD2 3.98Å; L247-W249 HydrophobicContact CB-CE3 4.2Å; L247-W249 HydrophobicContact CB-CH2 4.14Å; L247-W249 HydrophobicContact CB-CZ2 3.92Å; L247-W249 HydrophobicContact CB-CZ3 4.25Å; L247-W249 HydrophobicContact CD1-CH2 4.13Å; L247-W249 HydrophobicContact CD1-CZ2 3.52Å; L247-W249 HydrophobicContact CD2-CH2 3.65Å; L247-W249 HydrophobicContact CD2-CZ2 3.95Å; L247-W249 HydrophobicContact CD2-CZ3 4.17Å; L247-W249 HydrophobicContact CG-CH2 4.16Å; L247-W249 HydrophobicContact CG-CZ2 3.98Å; L247-W249 PolarHBondContact O-N 3.21Å; W249-A259 HydrophobicContact CE3-CB 4.33Å; W249-A259 HydrophobicContact CZ3-CB 3.81Å
250	Q	91.4	Very high	93.1	Very high	91 Å²	91	37.8 Å²	37.8	43%	0.425	21%	0.214	S	C	.	.	H	α-helix	trans	-88.5	-33.7	175.7	-64.8	-178.7	-27.9	0	0	112.5	L247 A248 N518	L247-Q250 HydrophobicContact CB-CB 4.32Å; L247-Q250 HydrophobicContact CB-CG 4.02Å; L247-Q250 HydrophobicContact CD1-CG 4.4Å; L247-Q250 PolarHBondContact O-N 2.89Å; A248-Q250 VanDerWaalsContact C-N 3.32Å; A248-Q250 PolarHBondContact O-N 3.2Å; Q250-N518 VanDerWaalsContact CA-ND2 3.34Å; Q250-N518 WeakPolarHBondContact CA-ND2 3.37Å
251	T	92.2	Very high	93	Very high	41 Å²	41	38.2 Å²	38.2	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-94	-12.7	-177	57.3	0	0	0	0	112.8	R246 L247 Y253 D256	R246-T251 HydrophobicContact CB-CG2 4.18Å; L247-T251 PolarHBondContact O-N 3.33Å; L247-T251 PolarHBondContact O-OG1 3.45Å; T251-Y253 PolarHBondContact O-N 2.86Å; T251-Y253 VanDerWaalsContact O-N 3.15Å; T251-Y253 PolarHBondContact OG1-N 2.64Å; T251-D256 WeakPolarHBondContact CB-OD2 3.47Å; T251-D256 WeakPolarHBondContact CG2-OD2 3.38Å; T251-D256 PolarHBondContact OG1-OD2 2.77Å
252	H	91.9	Very high	92.9	Very high	41 Å²	41	39.7 Å²	39.7	19%	0.19	22%	0.222	C	C	.	.			trans	56.8	20.4	-170.9	-50	107.2	0	0	0	113.5	A248 Y511	A248-H252 VanDerWaalsContact O-CA 3.23Å; A248-H252 WeakPolarHBondContact O-CA 3.38Å; A248-H252 PolarHBondContact O-N 2.81Å; H252-Y511 HydrophobicContact CB-CD1 4.2Å; H252-Y511 HydrophobicContact CB-CD2 3.81Å; H252-Y511 HydrophobicContact CB-CE1 4.07Å; H252-Y511 HydrophobicContact CB-CE2 3.65Å; H252-Y511 HydrophobicContact CB-CG 4.08Å; H252-Y511 AromaticContact CD2-CD1 3.52Å; H252-Y511 AromaticContact CD2-CE1 3.16Å; H252-Y511 WeakPolarHBondContact CD2-CE1 3.25Å; H252-Y511 AromaticContact CD2-CZ 3.63Å; H252-Y511 AromaticContact CE1-CD1 3.61Å; H252-Y511 AromaticContact CG-CD1 3.5Å; H252-Y511 VanDerWaalsContact CG-CD1 3.5Å; H252-Y511 AromaticContact CG-CE1 3.5Å; H252-Y511 VanDerWaalsContact CG-CE1 3.5Å; H252-Y511 AromaticContact CG-CG 3.77Å; H252-Y511 AromaticContact CG-CZ 3.75Å; H252-Y511 AromaticContact ND1-CD1 3.56Å; H252-Y511 AromaticContact ND1-CG 3.78Å; H252-Y511 AromaticContact NE2-CD1 3.59Å; H252-Y511 AromaticContact NE2-CE1 3.55Å
253	Y	94.1	Very high	93.1	Very high	13 Å²	13	41.3 Å²	41.3	5%	0.051	22%	0.223	C	C	.	.			trans	-116.7	115	-177.7	175.2	-112.1	0	0	0	110.5	A248 T251 G255 D256 H400 R405 S407 F411	A248-Y253 WeakPolarHBondContact CB-O 3.27Å; A248-Y253 PolarHBondContact O-N 3.09Å; T251-Y253 PolarHBondContact O-N 2.86Å; T251-Y253 VanDerWaalsContact O-N 3.15Å; T251-Y253 PolarHBondContact OG1-N 2.64Å; Y253-G255 VanDerWaalsContact CE1-CA 3.45Å; Y253-G255 PolarHBondContact O-N 2.65Å; Y253-G255 VanDerWaalsContact O-N 3.09Å; Y253-D256 HydrophobicContact CD1-CB 4.2Å; Y253-D256 PolarHBondContact O-N 2.91Å; Y253-D256 VanDerWaalsContact O-N 3.09Å; Y253-H400 AromaticContact CE2-CE1 3.76Å; Y253-H400 AromaticContact CE2-NE2 3.45Å; Y253-H400 WeakPolarHBondContact CE2-NE2 3.47Å; Y253-H400 AromaticContact CZ-NE2 3.53Å; Y253-H400 PolarHBondContact OH-NE2 3.11Å; Y253-R405 HydrophobicContact CD1-CB 4.32Å; Y253-R405 HydrophobicContact CD1-CG 3.93Å; Y253-R405 HydrophobicContact CE1-CB 4.33Å; Y253-R405 HydrophobicContact CE1-CG 3.65Å; Y253-S407 VanDerWaalsContact CD2-O 3.32Å; Y253-S407 WeakPolarHBondContact CD2-O 3.37Å; Y253-S407 VanDerWaalsContact CE2-O 3.3Å; Y253-S407 WeakPolarHBondContact CE2-O 3.15Å; Y253-F411 HydrophobicContact CD2-CE2 4.5Å; Y253-F411 AromaticContact CE2-CE2 3.91Å; Y253-F411 HydrophobicContact CE2-CE2 3.91Å; Y253-F411 HydrophobicContact CE2-CZ 4.31Å
254	V	91.4	Very high	93.3	Very high	16 Å²	16	38.9 Å²	38.9	10%	0.097	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.3	-172.7	178.9	0	0	0	0	113.5	W100 D256 F411	W100-V254 HydrophobicContact CE3-CG1 4.4Å; W100-V254 HydrophobicContact CH2-CG2 3.65Å; W100-V254 HydrophobicContact CZ3-CB 4.39Å; W100-V254 HydrophobicContact CZ3-CG1 3.73Å; W100-V254 HydrophobicContact CZ3-CG2 3.65Å; V254-D256 VanDerWaalsContact C-N 3.32Å; V254-F411 HydrophobicContact CB-CD2 3.89Å; V254-F411 HydrophobicContact CB-CE1 4.4Å; V254-F411 HydrophobicContact CB-CE2 3.78Å; V254-F411 HydrophobicContact CB-CG 4.31Å; V254-F411 HydrophobicContact CB-CZ 4.08Å; V254-F411 HydrophobicContact CG1-CD1 4.11Å; V254-F411 HydrophobicContact CG1-CD2 4.29Å; V254-F411 HydrophobicContact CG1-CE1 4.18Å; V254-F411 HydrophobicContact CG1-CE2 4.39Å; V254-F411 HydrophobicContact CG1-CG 4.2Å; V254-F411 HydrophobicContact CG1-CZ 4.36Å
255	G	92.3	Very high	93.5	Very high	24 Å²	24	35.9 Å²	35.9	25%	0.247	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.5	178.7	0	0	0	0	0	114.8	N221 Y253	N221-G255 PolarHBondContact ND2-O 3.02Å; Y253-G255 VanDerWaalsContact CE1-CA 3.45Å; Y253-G255 PolarHBondContact O-N 2.65Å; Y253-G255 VanDerWaalsContact O-N 3.09Å
256	D	95.3	Very high	93.5	Very high	11 Å²	11	39 Å²	39	6%	0.059	20%	0.202	C	C	.	.	S	Bend	trans	-77.7	173.9	169.1	-74.5	-19.9	0	0	0	109.6	N221 R246 T251 Y253 V254 R258 R405	N221-D256 PolarHBondContact ND2-O 2.82Å; R246-D256 HydrophobicContact CB-CB 3.93Å; R246-D256 VanDerWaalsContact CB-CG 3.46Å; R246-D256 WeakPolarHBondContact CB-OD2 3.3Å; R246-D256 IonicContact CZ-OD2 2.97Å; R246-D256 IonicContact NE-OD1 3.51Å; R246-D256 IonicContact NE-OD2 3.86Å; R246-D256 PolarHBondContact NE-OD2 3.47Å; R246-D256 IonicContact NH2-OD2 3.98Å; R246-D256 PolarHBondContact NH2-OD2 3.48Å; R246-D256 WeakPolarHBondContact O-CB 3.27Å; T251-D256 WeakPolarHBondContact CB-OD2 3.47Å; T251-D256 WeakPolarHBondContact CG2-OD2 3.38Å; T251-D256 PolarHBondContact OG1-OD2 2.77Å; Y253-D256 HydrophobicContact CD1-CB 4.2Å; Y253-D256 PolarHBondContact O-N 2.91Å; Y253-D256 VanDerWaalsContact O-N 3.09Å; V254-D256 VanDerWaalsContact C-N 3.32Å; D256-R258 PolarHBondContact O-N 3.29Å; D256-R405 IonicContact OD1-NE 3.59Å
257	L	96	Very high	93.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-61.1	126	-168.6	176.3	60.9	0	0	0	112.2	F224 V245 R246 L247 A248 N261 N262 L265	F224-L257 HydrophobicContact CB-CD1 3.49Å; F224-L257 VanDerWaalsContact CB-CD1 3.49Å; F224-L257 HydrophobicContact CD1-CD1 3.73Å; F224-L257 HydrophobicContact CD1-CD2 3.69Å; F224-L257 HydrophobicContact CD1-CG 4.36Å; F224-L257 HydrophobicContact CD2-CD1 3.54Å; F224-L257 HydrophobicContact CD2-CD2 3.96Å; F224-L257 HydrophobicContact CD2-CG 4.24Å; F224-L257 HydrophobicContact CE1-CD1 4.34Å; F224-L257 HydrophobicContact CE1-CD2 3.43Å; F224-L257 VanDerWaalsContact CE1-CD2 3.43Å; F224-L257 HydrophobicContact CE2-CD1 4.18Å; F224-L257 HydrophobicContact CE2-CD2 3.72Å; F224-L257 HydrophobicContact CE2-CG 4.41Å; F224-L257 HydrophobicContact CG-CD1 3.29Å; F224-L257 HydrophobicContact CG-CD2 3.96Å; F224-L257 HydrophobicContact CG-CG 4.24Å; F224-L257 HydrophobicContact CZ-CD2 3.48Å; F224-L257 VanDerWaalsContact CZ-CD2 3.48Å; V245-L257 HydrophobicContact CG1-CB 4.17Å; V245-L257 HydrophobicContact CG1-CD2 3.65Å; R246-L257 WeakPolarHBondContact O-CB 3.34Å; R246-L257 PolarHBondContact O-N 3.43Å; L247-L257 HydrophobicContact CD2-CB 4.34Å; L247-L257 HydrophobicContact CD2-CD2 3.96Å; L247-L257 HydrophobicContact CD2-CG 4.42Å; A248-L257 VanDerWaalsContact CB-O 3.31Å; A248-L257 WeakPolarHBondContact CB-O 3.44Å; A248-L257 PolarHBondContact N-O 3.43Å; L257-N261 HydrophobicContact CD1-CB 4.32Å; L257-N262 HydrophobicContact CD2-CB 4.14Å; L257-N262 HydrophobicContact CG-CB 4.47Å; L257-L265 HydrophobicContact CD2-CD1 3.9Å; L257-L265 HydrophobicContact CD2-CG 4.38Å
258	R	95.1	Very high	93.5	Very high	22 Å²	22	38.4 Å²	38.4	8%	0.083	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-87.3	145	175.9	-65	-70.8	-62.1	-169.2	2.1	111.2	I80 I82 N221 D256 V260 N261	I80-R258 HydrophobicContact CB-CB 4.36Å; I80-R258 HydrophobicContact CB-CG 4.07Å; I80-R258 HydrophobicContact CD1-CG 4.01Å; I80-R258 HydrophobicContact CG1-CG 4.35Å; I80-R258 PolarHBondContact O-NE 3.07Å; I82-R258 VanDerWaalsContact CD1-NH2 3.3Å; I82-R258 VanDerWaalsContact CG1-NH2 3.3Å; N221-R258 PolarHBondContact OD1-N 3.46Å; D256-R258 PolarHBondContact O-N 3.29Å; R258-V260 HydrophobicContact CB-CG1 3.99Å; R258-V260 PolarHBondContact O-N 3.37Å; R258-V260 VanDerWaalsContact O-N 3.16Å; R258-N261 PolarHBondContact O-N 2.95Å; R258-N261 VanDerWaalsContact O-N 3.15Å
259	A	92.3	Very high	93.6	Very high	48 Å²	48	44.3 Å²	44.3	40%	0.397	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-59.9	-26.1	179.7	0	0	0	0	0	113.5	W249 N261 N262	W249-A259 HydrophobicContact CE3-CB 4.33Å; W249-A259 HydrophobicContact CZ3-CB 3.81Å; A259-N261 PolarHBondContact O-N 3.38Å; A259-N261 VanDerWaalsContact O-N 3.14Å; A259-N262 VanDerWaalsContact O-CG 3.3Å; A259-N262 PolarHBondContact O-N 3.05Å; A259-N262 PolarHBondContact O-OD1 2.88Å
260	V	93.3	Very high	93.9	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.097	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.6	178.4	66.9	0	0	0	0	113.9	K78 I80 Y120 Q228 R258	K78-V260 HydrophobicContact CD-CG2 4.15Å; I80-V260 HydrophobicContact CB-CG1 4.18Å; I80-V260 HydrophobicContact CG2-CG1 3.91Å; Y120-V260 HydrophobicContact CD1-CB 4.45Å; Y120-V260 HydrophobicContact CD1-CG2 4.34Å; Y120-V260 HydrophobicContact CD2-CB 4.24Å; Y120-V260 HydrophobicContact CD2-CG2 3.79Å; Y120-V260 HydrophobicContact CE1-CB 4.21Å; Y120-V260 HydrophobicContact CE1-CG1 4.35Å; Y120-V260 HydrophobicContact CE2-CB 3.97Å; Y120-V260 HydrophobicContact CE2-CG2 4.03Å; Y120-V260 HydrophobicContact CG-CB 4.47Å; Y120-V260 HydrophobicContact CG-CG2 3.97Å; Q228-V260 PolarHBondContact NE2-O 3.4Å; Q228-V260 PolarHBondContact OE1-O 3.1Å; R258-V260 HydrophobicContact CB-CG1 3.99Å; R258-V260 PolarHBondContact O-N 3.37Å; R258-V260 VanDerWaalsContact O-N 3.16Å
261	N	93.8	Very high	93.9	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.048	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-119.3	15.9	-176.3	-65.4	-15.2	0	0	0	113.1	F224 Q228 L257 R258 A259	F224-N261 HydrophobicContact CB-CB 3.97Å; F224-N261 WeakPolarHBondContact CB-O 3.31Å; F224-N261 WeakPolarHBondContact CD1-O 3.36Å; Q228-N261 PolarHBondContact OE1-O 3.43Å; L257-N261 HydrophobicContact CD1-CB 4.32Å; R258-N261 PolarHBondContact O-N 2.95Å; R258-N261 VanDerWaalsContact O-N 3.15Å; A259-N261 PolarHBondContact O-N 3.38Å; A259-N261 VanDerWaalsContact O-N 3.14Å
262	N	93.1	Very high	94	Very high	46 Å²	46	50.6 Å²	50.6	25%	0.246	27%	0.265	C	S	.	.			trans	-95.5	7.6	-168.2	77.4	-15.5	0	0	0	115.1	L257 A259 V264 L265	L257-N262 HydrophobicContact CD2-CB 4.14Å; L257-N262 HydrophobicContact CG-CB 4.47Å; A259-N262 VanDerWaalsContact O-CG 3.3Å; A259-N262 PolarHBondContact O-N 3.05Å; A259-N262 PolarHBondContact O-OD1 2.88Å; N262-V264 PolarHBondContact O-N 2.8Å; N262-L265 HydrophobicContact CB-CD1 4.08Å; N262-L265 HydrophobicContact CB-CG 4.4Å; N262-L265 VanDerWaalsContact O-CB 3.26Å; N262-L265 WeakPolarHBondContact O-CB 3.34Å; N262-L265 WeakPolarHBondContact O-CG 3.36Å; N262-L265 PolarHBondContact O-N 3.34Å
263	E	93.4	Very high	94.1	Very high	103 Å²	103	54.6 Å²	54.6	48%	0.481	29%	0.287	S	S	.	.	H	α-helix	trans	-56.7	-34.9	-174.2	-70.5	174.5	-168.6	0	0	113.1	Q228 L231 L265 D266 T267	Q228-E263 VanDerWaalsContact CD-CD 3.45Å; Q228-E263 HydrophobicContact CG-CB 4.31Å; Q228-E263 HydrophobicContact CG-CG 4.43Å; Q228-E263 WeakPolarHBondContact CG-OE2 3.27Å; L231-E263 HydrophobicContact CD2-CB 3.96Å; E263-L265 PolarHBondContact O-N 3.25Å; E263-L265 VanDerWaalsContact O-N 3.14Å; E263-D266 VanDerWaalsContact O-CB 3.3Å; E263-D266 WeakPolarHBondContact O-CB 3.41Å; E263-D266 PolarHBondContact O-N 3.38Å; E263-T267 PolarHBondContact O-N 3.03Å
264	V	94.6	Very high	94.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-20.2	176.6	75.1	0	0	0	0	113.5	F224 A227 L231 M239 N262 D266 T267 Y268 D274	F224-V264 HydrophobicContact CD1-CG1 3.4Å; F224-V264 VanDerWaalsContact CD1-CG1 3.4Å; F224-V264 HydrophobicContact CE1-CG1 3.26Å; F224-V264 HydrophobicContact CZ-CG1 4.4Å; A227-V264 HydrophobicContact CB-CB 4.32Å; A227-V264 HydrophobicContact CB-CG1 4.34Å; A227-V264 HydrophobicContact CB-CG2 4.32Å; L231-V264 HydrophobicContact CD1-CB 4.3Å; L231-V264 HydrophobicContact CD1-CG2 4.01Å; M239-V264 HydrophobicContact SD-CG1 3.92Å; N262-V264 PolarHBondContact O-N 2.8Å; V264-D266 VanDerWaalsContact C-N 3.33Å; V264-T267 WeakPolarHBondContact CA-OG1 3.38Å; V264-T267 PolarHBondContact O-OG1 2.87Å; V264-Y268 VanDerWaalsContact O-CB 3.25Å; V264-Y268 WeakPolarHBondContact O-CB 3.16Å; V264-Y268 PolarHBondContact O-N 3.13Å; V264-Y268 VanDerWaalsContact O-N 3.09Å; V264-D274 HydrophobicContact CG2-CB 4.08Å
265	L	95.5	Very high	94.3	Very high	33 Å²	33	54.5 Å²	54.5	17%	0.173	29%	0.29	C	S	.	.	H	α-helix	trans	-69.7	-36.1	172.3	-60.9	-175.2	0	0	0	111.1	F224 V245 L247 L257 N262 E263 Q269 L276	F224-L265 HydrophobicContact CE1-CD2 3.79Å; F224-L265 HydrophobicContact CE1-CG 4.04Å; F224-L265 HydrophobicContact CZ-CD2 3.99Å; V245-L265 HydrophobicContact CG2-CD2 4.44Å; L247-L265 HydrophobicContact CD2-CD1 3.93Å; L257-L265 HydrophobicContact CD2-CD1 3.9Å; L257-L265 HydrophobicContact CD2-CG 4.38Å; N262-L265 HydrophobicContact CB-CD1 4.08Å; N262-L265 HydrophobicContact CB-CG 4.4Å; N262-L265 VanDerWaalsContact O-CB 3.26Å; N262-L265 WeakPolarHBondContact O-CB 3.34Å; N262-L265 WeakPolarHBondContact O-CG 3.36Å; N262-L265 PolarHBondContact O-N 3.34Å; E263-L265 PolarHBondContact O-N 3.25Å; E263-L265 VanDerWaalsContact O-N 3.14Å; L265-Q269 WeakPolarHBondContact O-CB 3.33Å; L265-Q269 WeakPolarHBondContact O-CG 3.35Å; L265-Q269 PolarHBondContact O-N 2.86Å; L265-L276 HydrophobicContact CD2-CD1 3.38Å
266	D	94.6	Very high	94.5	Very high	99 Å²	99	54.4 Å²	54.4	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-68.1	-50.6	178.9	-167	59.2	0	0	0	110	E263 V264 Y268 Q269 L270	E263-D266 VanDerWaalsContact O-CB 3.3Å; E263-D266 WeakPolarHBondContact O-CB 3.41Å; E263-D266 PolarHBondContact O-N 3.38Å; V264-D266 VanDerWaalsContact C-N 3.33Å; D266-Y268 VanDerWaalsContact C-N 3.3Å; D266-Y268 PolarHBondContact O-N 2.97Å; D266-Q269 PolarHBondContact O-N 3.15Å; D266-L270 VanDerWaalsContact O-CB 3.3Å; D266-L270 WeakPolarHBondContact O-CB 3.17Å; D266-L270 WeakPolarHBondContact O-CG 3.42Å; D266-L270 PolarHBondContact O-N 2.73Å; D266-L270 WeakPolarHBondContact OD1-CD1 3.34Å; D266-L270 WeakPolarHBondContact OD2-CD1 3.19Å
267	T	95.3	Very high	94.4	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-36.6	178.4	63.5	0	0	0	0	112.5	L231 E263 V264 K271 S272 D274	L231-T267 HydrophobicContact CD1-CG2 4.28Å; L231-T267 HydrophobicContact CD2-CG2 3.9Å; L231-T267 HydrophobicContact CG-CG2 4.3Å; E263-T267 PolarHBondContact O-N 3.03Å; V264-T267 WeakPolarHBondContact CA-OG1 3.38Å; V264-T267 PolarHBondContact O-OG1 2.87Å; T267-K271 PolarHBondContact O-N 3.17Å; T267-S272 PolarHBondContact O-N 3.06Å; T267-D274 WeakPolarHBondContact CB-OD2 3.31Å; T267-D274 WeakPolarHBondContact OG1-CB 3.2Å; T267-D274 PolarHBondContact OG1-OD2 3.05Å
268	Y	95.1	Very high	94.2	Very high	71 Å²	71	59.5 Å²	59.5	28%	0.278	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-51.2	172.6	170.8	-133.3	0	0	0	112.4	V264 D266 K271 D274 L276	V264-Y268 VanDerWaalsContact O-CB 3.25Å; V264-Y268 WeakPolarHBondContact O-CB 3.16Å; V264-Y268 PolarHBondContact O-N 3.13Å; V264-Y268 VanDerWaalsContact O-N 3.09Å; D266-Y268 VanDerWaalsContact C-N 3.3Å; D266-Y268 PolarHBondContact O-N 2.97Å; Y268-K271 PolarHBondContact O-N 2.82Å; Y268-D274 VanDerWaalsContact CD2-O 3.29Å; Y268-D274 WeakPolarHBondContact CD2-O 3.41Å; Y268-L276 HydrophobicContact CD1-CB 4.25Å; Y268-L276 HydrophobicContact CD1-CD1 3.87Å; Y268-L276 HydrophobicContact CD1-CG 3.85Å; Y268-L276 HydrophobicContact CE1-CB 4.06Å; Y268-L276 HydrophobicContact CE1-CD1 4.18Å; Y268-L276 HydrophobicContact CE1-CG 4.16Å; Y268-L276 HydrophobicContact CG-CG 4.36Å
269	Q	95.9	Very high	94	Very high	133 Å²	133	59.2 Å²	59.2	62%	0.621	31%	0.312	S	S	*	.	H	α-helix	trans	-70.2	-33.8	-176.1	-67.6	-64.2	-22.2	0	0	112.2	L265 D266 K271	L265-Q269 WeakPolarHBondContact O-CB 3.33Å; L265-Q269 WeakPolarHBondContact O-CG 3.35Å; L265-Q269 PolarHBondContact O-N 2.86Å; D266-Q269 PolarHBondContact O-N 3.15Å; Q269-K271 PolarHBondContact O-N 2.93Å
270	L	95.8	Very high	93.9	Very high	112 Å²	112	62.9 Å²	62.9	59%	0.586	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	14.1	176.1	-59.2	-178.3	0	0	0	113.4	D266 S272	D266-L270 VanDerWaalsContact O-CB 3.3Å; D266-L270 WeakPolarHBondContact O-CB 3.17Å; D266-L270 WeakPolarHBondContact O-CG 3.42Å; D266-L270 PolarHBondContact O-N 2.73Å; D266-L270 WeakPolarHBondContact OD1-CD1 3.34Å; D266-L270 WeakPolarHBondContact OD2-CD1 3.19Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 3.27Å
271	K	92.1	Very high	93.7	Very high	170 Å²	170	63.3 Å²	63.3	74%	0.739	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	34.7	172.6	-58.8	-62.1	-175.2	-173.9	0	115	T267 Y268 Q269 L273	T267-K271 PolarHBondContact O-N 3.17Å; Y268-K271 PolarHBondContact O-N 2.82Å; Q269-K271 PolarHBondContact O-N 2.93Å; K271-L273 PolarHBondContact O-N 3.15Å
272	S	93.9	Very high	93.5	Very high	68 Å²	68	68.1 Å²	68.1	48%	0.476	34%	0.339	S	S	.	.	S	Bend	trans	-89.1	50.1	174	-61.8	0	0	0	0	112.1	T267 L270 D274	T267-S272 PolarHBondContact O-N 3.06Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 3.27Å; S272-D274 PolarHBondContact O-N 3.28Å
273	L	93.6	Very high	93.2	Very high	125 Å²	125	68.4 Å²	68.4	65%	0.654	34%	0.34	S	S	*	.	S	Bend	trans	64	-19.4	175.1	-54.1	177.3	0	0	0	118.3	R236 H238 K271	R236-L273 HydrophobicContact CB-CB 4.15Å; H238-L273 PolarHBondContact NE2-O 2.84Å; K271-L273 PolarHBondContact O-N 3.15Å
274	D	95.9	Very high	92.9	Very high	16 Å²	16	63.5 Å²	63.5	9%	0.086	32%	0.318	C	S	.	.			trans	-72.6	160.7	176.7	-59.2	-51.7	0	0	0	112.4	L231 V237 V264 T267 Y268 S272	L231-D274 WeakPolarHBondContact CD1-OD2 3.42Å; V237-D274 WeakPolarHBondContact CA-OD1 3.49Å; V237-D274 WeakPolarHBondContact CB-OD1 3.22Å; V237-D274 PolarHBondContact N-OD1 3.36Å; V237-D274 WeakPolarHBondContact O-CA 3.19Å; V237-D274 WeakPolarHBondContact O-CB 3.39Å; V264-D274 HydrophobicContact CG2-CB 4.08Å; T267-D274 WeakPolarHBondContact CB-OD2 3.31Å; T267-D274 WeakPolarHBondContact OG1-CB 3.2Å; T267-D274 PolarHBondContact OG1-OD2 3.05Å; Y268-D274 VanDerWaalsContact CD2-O 3.29Å; Y268-D274 WeakPolarHBondContact CD2-O 3.41Å; S272-D274 PolarHBondContact O-N 3.28Å
275	G	94.3	Very high	92.7	Very high	11 Å²	11	63.6 Å²	63.6	11%	0.113	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	144.3	-169.5	0	0	0	0	0	115	V237 H238 M239	V237-G275 PolarHBondContact O-N 3.38Å; H238-G275 CarbonylContact C-O 3.58Å; H238-G275 VanDerWaalsContact CA-O 3.26Å; H238-G275 WeakPolarHBondContact CA-O 3.5Å; H238-G275 PolarHBondContact CD2-N 2.87Å; M239-G275 PolarHBondContact N-O 3.03Å
276	L	95.3	Very high	92.5	Very high	21 Å²	21	62.3 Å²	62.3	11%	0.11	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.1	167.8	-56.3	178.1	0	0	0	109.2	F224 M239 V245 L265 Y268	F224-L276 HydrophobicContact CZ-CD2 4.49Å; M239-L276 HydrophobicContact CB-CD2 3.69Å; M239-L276 HydrophobicContact CG-CD2 3.93Å; M239-L276 WeakPolarHBondContact O-CA 3.47Å; M239-L276 HydrophobicContact SD-CD2 3.73Å; V245-L276 HydrophobicContact CG2-CD1 3.74Å; L265-L276 HydrophobicContact CD2-CD1 3.38Å; Y268-L276 HydrophobicContact CD1-CB 4.25Å; Y268-L276 HydrophobicContact CD1-CD1 3.87Å; Y268-L276 HydrophobicContact CD1-CG 3.85Å; Y268-L276 HydrophobicContact CE1-CB 4.06Å; Y268-L276 HydrophobicContact CE1-CD1 4.18Å; Y268-L276 HydrophobicContact CE1-CG 4.16Å; Y268-L276 HydrophobicContact CG-CG 4.36Å
277	A	93.3	Very high	92.4	Very high	14 Å²	14	59.4 Å²	59.4	12%	0.116	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.8	178.5	0	0	0	0	0	112.4	K219 M239 L240 S241 L341	K219-A277 WeakPolarHBondContact CE-O 3.48Å; K219-A277 PolarHBondContact NZ-O 3.06Å; M239-A277 PolarHBondContact O-N 3.27Å; L240-A277 WeakPolarHBondContact CA-O 3.27Å; L240-A277 HydrophobicContact CD1-CB 3.68Å; S241-A277 PolarHBondContact N-O 2.68Å; A277-L341 HydrophobicContact CB-CD1 4.29Å; A277-L341 HydrophobicContact CB-CD2 4.3Å
278	E	92.9	Very high	92.2	Very high	106 Å²	106	64 Å²	64	50%	0.495	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.8	179.2	-72.8	70.6	-153.1	0	0	111.1	K219 S241	K219-E278 IonicContact NZ-OE1 3.81Å; K219-E278 PolarHBondContact NZ-OE1 3.28Å; S241-E278 VanDerWaalsContact O-CA 3.28Å; S241-E278 WeakPolarHBondContact O-CA 3.44Å
279	A	90.4	Very high	91.8	Very high	17 Å²	17	64.8 Å²	64.8	14%	0.14	32%	0.321	C	S	.	.			trans	-155.6	151.3	167.4	0	0	0	0	0	109.4	L240 S241 S242 V284 L312	L240-A279 HydrophobicContact CD1-CB 3.78Å; L240-A279 HydrophobicContact CD2-CB 4.34Å; L240-A279 HydrophobicContact CG-CB 4.29Å; S241-A279 CarbonylContact C-O 3.48Å; S241-A279 VanDerWaalsContact C-O 3.23Å; S241-A279 PolarHBondContact O-N 2.86Å; S242-A279 VanDerWaalsContact CA-O 3.32Å; S242-A279 WeakPolarHBondContact CA-O 3.2Å; S242-A279 PolarHBondContact N-O 2.83Å; S242-A279 VanDerWaalsContact N-O 3.14Å; A279-V284 HydrophobicContact CB-CG2 3.74Å; A279-L312 HydrophobicContact CB-CD2 4.17Å
280	R	90.1	Very high	90.7	Very high	125 Å²	125	65 Å²	65	47%	0.472	32%	0.322	S	S	.	.			trans	-80.4	142.6	168.4	-55.2	177.3	-65.9	173.4	-0.2	108.3	E282 D283 V284	R280-E282 HydrophobicContact CB-CG 3.77Å; R280-E282 WeakPolarHBondContact CD-OE1 3.41Å; R280-E282 IonicContact CZ-OE1 3.37Å; R280-E282 IonicContact NE-OE1 2.77Å; R280-E282 PolarHBondContact NE-OE1 2.93Å; R280-E282 IonicContact NH1-OE1 3.82Å; R280-E282 PolarHBondContact NH1-OE1 3.03Å; R280-E282 IonicContact NH2-OE1 3.1Å; R280-E282 PolarHBondContact O-N 2.92Å; R280-D283 WeakPolarHBondContact CB-OD2 3.21Å; R280-D283 IonicContact CZ-OD1 2.62Å; R280-D283 IonicContact CZ-OD2 3.68Å; R280-D283 IonicContact NE-OD1 3Å; R280-D283 IonicContact NE-OD2 3.27Å; R280-D283 PolarHBondContact NE-OD2 3.19Å; R280-D283 IonicContact NH2-OD1 2.67Å; R280-D283 PolarHBondContact NH2-OD1 2.96Å; R280-D283 IonicContact NH2-OD2 3.92Å; R280-D283 PolarHBondContact NH2-OD2 3.44Å; R280-D283 VanDerWaalsContact NH2-OD2 3.1Å; R280-D283 WeakPolarHBondContact O-CB 3.32Å; R280-D283 PolarHBondContact O-N 2.89Å; R280-V284 WeakPolarHBondContact O-CG2 3.25Å
281	L	89.8	Confident	89.1	Confident	25 Å²	25	65.3 Å²	65.3	13%	0.131	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.7	-179.3	-64.9	178.2	0	0	0	112.6	V188 F190 L217 D283 V284 L352	V188-L281 HydrophobicContact CB-CD1 4.09Å; V188-L281 HydrophobicContact CG1-CB 4.3Å; V188-L281 HydrophobicContact CG1-CD1 4.1Å; V188-L281 HydrophobicContact CG2-CD1 4.37Å; F190-L281 WeakPolarHBondContact CB-O 3.33Å; F190-L281 HydrophobicContact CD1-CB 3.98Å; F190-L281 HydrophobicContact CD1-CD1 4.48Å; F190-L281 HydrophobicContact CE1-CB 4.35Å; F190-L281 HydrophobicContact CE1-CD1 4.26Å; F190-L281 HydrophobicContact CE1-CD2 4.41Å; F190-L281 HydrophobicContact CG-CB 4.37Å; L217-L281 HydrophobicContact CB-CD2 4.36Å; L217-L281 HydrophobicContact CD1-CD2 4.12Å; L217-L281 HydrophobicContact CD2-CD2 4.13Å; L217-L281 HydrophobicContact CG-CD2 4.44Å; L281-D283 PolarHBondContact O-N 3.23Å; L281-V284 PolarHBondContact O-N 3.38Å; L281-L352 HydrophobicContact CD1-CD1 3.74Å; L281-L352 HydrophobicContact CD1-CD2 3.85Å; L281-L352 HydrophobicContact CD1-CG 4.48Å
282	E	87.9	Confident	87	Confident	109 Å²	109	67.9 Å²	67.9	51%	0.509	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-64.5	-24.3	173.9	64	-155.9	-151.2	0	0	114	R280	R280-E282 HydrophobicContact CB-CG 3.77Å; R280-E282 WeakPolarHBondContact CD-OE1 3.41Å; R280-E282 IonicContact CZ-OE1 3.37Å; R280-E282 IonicContact NE-OE1 2.77Å; R280-E282 PolarHBondContact NE-OE1 2.93Å; R280-E282 IonicContact NH1-OE1 3.82Å; R280-E282 PolarHBondContact NH1-OE1 3.03Å; R280-E282 IonicContact NH2-OE1 3.1Å; R280-E282 PolarHBondContact O-N 2.92Å
283	D	87.2	Confident	84.8	Confident	52 Å²	52	67.8 Å²	67.8	28%	0.278	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-92.2	-4.1	179.1	-54.5	-39.7	0	0	0	112.2	R280 L281 L312 R313	R280-D283 WeakPolarHBondContact CB-OD2 3.21Å; R280-D283 IonicContact CZ-OD1 2.62Å; R280-D283 IonicContact CZ-OD2 3.68Å; R280-D283 IonicContact NE-OD1 3Å; R280-D283 IonicContact NE-OD2 3.27Å; R280-D283 PolarHBondContact NE-OD2 3.19Å; R280-D283 IonicContact NH2-OD1 2.67Å; R280-D283 PolarHBondContact NH2-OD1 2.96Å; R280-D283 IonicContact NH2-OD2 3.92Å; R280-D283 PolarHBondContact NH2-OD2 3.44Å; R280-D283 VanDerWaalsContact NH2-OD2 3.1Å; R280-D283 WeakPolarHBondContact O-CB 3.32Å; R280-D283 PolarHBondContact O-N 2.89Å; L281-D283 PolarHBondContact O-N 3.23Å; D283-L312 WeakPolarHBondContact O-CA 3.41Å; D283-R313 PolarHBondContact O-N 3.32Å
284	V	87.3	Confident	82.3	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.1	-169.1	170.6	0	0	0	0	110.2	F190 L240 A279 R280 L281 L310 L312	F190-V284 WeakPolarHBondContact CD2-O 3.48Å; L240-V284 HydrophobicContact CD2-CG1 4.3Å; L240-V284 HydrophobicContact CD2-CG2 3.84Å; A279-V284 HydrophobicContact CB-CG2 3.74Å; R280-V284 WeakPolarHBondContact O-CG2 3.25Å; L281-V284 PolarHBondContact O-N 3.38Å; V284-L310 HydrophobicContact CG1-CD1 3.54Å; V284-L310 HydrophobicContact CG1-CD2 4.23Å; V284-L310 HydrophobicContact CG1-CG 3.73Å; V284-L312 HydrophobicContact CG2-CD2 3.95Å
285	V	90.8	Very high	79.6	Confident	3 Å²	3	83 Å²	83	2%	0.018	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.9	176.5	178.1	0	0	0	0	111.8	A191 T287 L310 N311 R313 W329	A191-V285 HydrophobicContact CB-CB 4.28Å; A191-V285 HydrophobicContact CB-CG1 3.81Å; A191-V285 HydrophobicContact CB-CG2 3.68Å; A191-V285 WeakPolarHBondContact O-CA 3.31Å; V285-T287 HydrophobicContact CG1-CG2 4.06Å; V285-L310 WeakPolarHBondContact O-CA 3.42Å; V285-N311 PolarHBondContact N-O 2.98Å; V285-N311 PolarHBondContact O-N 3.23Å; V285-R313 HydrophobicContact CG2-CG 4.11Å; V285-W329 HydrophobicContact CB-CE3 4.26Å; V285-W329 HydrophobicContact CB-CH2 3.83Å; V285-W329 HydrophobicContact CB-CZ3 3.56Å; V285-W329 HydrophobicContact CG1-CE3 4.35Å; V285-W329 HydrophobicContact CG1-CH2 3.46Å; V285-W329 VanDerWaalsContact CG1-CH2 3.46Å; V285-W329 HydrophobicContact CG1-CZ2 3.91Å; V285-W329 HydrophobicContact CG1-CZ3 3.69Å; V285-W329 HydrophobicContact CG2-CE3 4.1Å; V285-W329 HydrophobicContact CG2-CH2 3.34Å; V285-W329 HydrophobicContact CG2-CZ3 3.05Å
286	I	91.9	Very high	77	Confident	5 Å²	5	93.7 Å²	93.7	3%	0.026	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.2	178.4	-57.5	169.1	0	0	0	107.7	F190 A191 G192 L195 L217 L308 Y309 V348	F190-I286 HydrophobicContact CE2-CD1 3.65Å; F190-I286 HydrophobicContact CE2-CG1 4.04Å; F190-I286 HydrophobicContact CZ-CD1 3.91Å; A191-I286 PolarHBondContact O-N 3.07Å; A191-I286 VanDerWaalsContact O-N 3.13Å; G192-I286 WeakPolarHBondContact CA-O 3.38Å; L195-I286 HydrophobicContact CB-CG2 4.17Å; L195-I286 HydrophobicContact CD1-CB 4.46Å; L195-I286 HydrophobicContact CD1-CG2 3.88Å; L217-I286 HydrophobicContact CD1-CD1 4.48Å; I286-L308 HydrophobicContact CG2-CB 4.29Å; I286-L308 HydrophobicContact CG2-CD2 4.22Å; I286-Y309 WeakPolarHBondContact CA-O 3.29Å; I286-V348 HydrophobicContact CD1-CB 4.34Å; I286-V348 HydrophobicContact CD1-CG1 3.79Å; I286-V348 HydrophobicContact CD1-CG2 4.23Å; I286-V348 HydrophobicContact CG2-CG2 4.37Å
287	T	91.8	Very high	74.2	Confident	38 Å²	38	98.1 Å²	98.1	23%	0.233	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.2	175.7	57.9	0	0	0	0	110.1	V285 L308 Y309	V285-T287 HydrophobicContact CG1-CG2 4.06Å; T287-L308 WeakPolarHBondContact O-CA 3.32Å; T287-Y309 PolarHBondContact N-O 2.86Å; T287-Y309 PolarHBondContact O-N 2.91Å
288	K	90.8	Very high	71.9	Confident	122 Å²	122	102.3 Å²	102.3	53%	0.53	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.1	173.4	-163.2	-172.7	-144.6	-153.2	0	107.7	L195 D306 L308	L195-K288 HydrophobicContact CD1-CB 4.32Å; K288-D306 HydrophobicContact CD-CB 3.84Å; K288-D306 WeakPolarHBondContact CE-OD2 3.49Å; K288-D306 HydrophobicContact CG-CB 3.65Å; K288-D306 IonicContact NZ-OD2 3.79Å; K288-D306 PolarHBondContact NZ-OD2 3.49Å; K288-L308 HydrophobicContact CB-CD2 4.23Å; K288-L308 HydrophobicContact CG-CD2 4.21Å
289	Q	86.1	Confident	69.3	Low	89 Å²	89	105.5 Å²	105.5	42%	0.416	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.6	175.7	-58.3	-176.6	4.9	0	0	109.8	E291 K307 Y309	Q289-E291 PolarHBondContact O-N 3.18Å; Q289-K307 PolarHBondContact N-O 3.25Å; Q289-K307 PolarHBondContact O-N 2.9Å; Q289-K307 VanDerWaalsContact O-N 3.09Å; Q289-Y309 HydrophobicContact CB-CD2 3.81Å; Q289-Y309 HydrophobicContact CB-CE2 3.72Å; Q289-Y309 HydrophobicContact CG-CD2 3.75Å; Q289-Y309 HydrophobicContact CG-CE2 4.11Å
290	E	72.9	Confident	67	Low	137 Å²	137	114.5 Å²	114.5	64%	0.64	55%	0.549	S	S	*	.			trans	-76.6	116.9	169.7	-78.5	-179.2	-175.8	0	0	108.9	R292 D306	E290-R292 VanDerWaalsContact C-N 3.32Å; E290-R292 PolarHBondContact O-N 3.19Å; E290-D306 VanDerWaalsContact CG-OD1 3.31Å; E290-D306 WeakPolarHBondContact CG-OD1 3.41Å
291	E	62.5	Low	64.4	Low	119 Å²	119	116.1 Å²	116.1	56%	0.556	57%	0.567	S	S	*	*			trans	-70	92.9	165.8	-79.9	-166.3	161.1	0	0	108.9	Q289 G293 K307	Q289-E291 PolarHBondContact O-N 3.18Å; E291-G293 VanDerWaalsContact C-N 3.29Å; E291-G293 PolarHBondContact O-N 3.48Å; E291-K307 HydrophobicContact CG-CG 4.31Å
292	R	49.3	Very low	62.1	Low	224 Å²	224	120.6 Å²	120.6	85%	0.845	60%	0.597	S	S	*	*			trans	-65.7	94.8	161.8	-77.6	-175.2	178.3	-175.8	0.2	107.7	E290 R294	E290-R292 VanDerWaalsContact C-N 3.32Å; E290-R292 PolarHBondContact O-N 3.19Å; R292-R294 PolarHBondContact O-N 3.07Å; R292-R294 VanDerWaalsContact O-N 3.16Å
293	G	47.4	Very low	60	Low	66 Å²	66	121.8 Å²	121.8	68%	0.68	60%	0.603	S	S	*	*			trans	-47.2	123.1	178.4	0	0	0	0	0	111.1	E291 K295	E291-G293 VanDerWaalsContact C-N 3.29Å; E291-G293 PolarHBondContact O-N 3.48Å; G293-K295 PolarHBondContact O-N 3.01Å
294	R	39.8	Very low	58.1	Low	246 Å²	246	124.5 Å²	124.5	93%	0.928	63%	0.626	S	S	*	*			trans	-52.8	113	162.5	-87.9	179	170.2	169.4	-2.8	106.5	R292 R296	R292-R294 PolarHBondContact O-N 3.07Å; R292-R294 VanDerWaalsContact O-N 3.16Å; R294-R296 PolarHBondContact O-N 3.4Å
295	K	39.8	Very low	56.9	Low	214 Å²	214	130.7 Å²	130.7	93%	0.93	65%	0.649	S	S	*	*			trans	-44.1	101.4	176.4	-77.7	178.7	174.8	176.6	0	110.3	G293	G293-K295 PolarHBondContact O-N 3.01Å
296	R	38.8	Very low	56.4	Low	236 Å²	236	132.9 Å²	132.9	89%	0.891	66%	0.661	S	S	*	*			trans	-129.5	111.6	158.7	-88.4	-171.3	167.1	-177.8	-3.8	108	R294	R294-R296 PolarHBondContact O-N 3.4Å
297	S	38.3	Very low	56.3	Low	114 Å²	114	134.7 Å²	134.7	80%	0.797	67%	0.669	S	S	*	*			trans	28.4	109.3	166	63.2	0	0	0	0	118.8	L299	S297-L299 PolarHBondContact O-N 3.3Å; S297-L299 VanDerWaalsContact O-N 3.14Å
298	A	44.5	Very low	56.4	Low	101 Å²	101	133.5 Å²	133.5	84%	0.835	66%	0.661	S	S	*	*			trans	4.6	88.2	145.3	0	0	0	0	0	117.7
299	L	38.2	Very low	56.4	Low	174 Å²	174	130 Å²	130	91%	0.911	64%	0.644	S	S	*	*			trans	-144.2	120.8	134.7	-103.3	116.4	0	0	0	107.6	S297 N301	S297-L299 PolarHBondContact O-N 3.3Å; S297-L299 VanDerWaalsContact O-N 3.14Å; L299-N301 PolarHBondContact O-N 3.39Å
300	K	41.9	Very low	56.5	Low	205 Å²	205	126 Å²	126	89%	0.891	63%	0.626	S	S	*	*			trans	-63.3	116.1	-179.7	-80.9	175	171.1	177.5	0	109.8
301	N	35.6	Very low	57.1	Low	160 Å²	160	122.5 Å²	122.5	86%	0.856	61%	0.612	S	S	*	*			trans	-133.9	109.1	145.2	-103	-7.4	0	0	0	107.5	L299 E303	L299-N301 PolarHBondContact O-N 3.39Å; N301-E303 PolarHBondContact O-N 3.27Å
302	P	41	Very low	57.8	Low	118 Å²	118	119.5 Å²	119.5	77%	0.766	60%	0.599	S	S	*	*			trans	-94.5	90.6	-175.4	34.8	-27.7	0	0	0	110.4
303	E	43.1	Very low	58.8	Low	135 Å²	135	115 Å²	115	63%	0.631	58%	0.582	S	S	*	*			trans	-145	89.8	148.8	-77.2	-164.5	177.2	0	0	106.9	N301 R305	N301-E303 PolarHBondContact O-N 3.27Å; E303-R305 HydrophobicContact CB-CG 4.31Å; E303-R305 PolarHBondContact O-N 2.73Å; E303-R305 IonicContact OE2-CZ 3.43Å; E303-R305 VanDerWaalsContact OE2-CZ 3.29Å; E303-R305 IonicContact OE2-NE 2.88Å; E303-R305 PolarHBondContact OE2-NE 2.98Å; E303-R305 IonicContact OE2-NH2 3.07Å; E303-R305 PolarHBondContact OE2-NH2 2.51Å
304	S	47.9	Very low	59.4	Low	109 Å²	109	115.4 Å²	115.4	76%	0.762	57%	0.566	S	S	*	*			trans	-68.6	88	165.3	58.6	0	0	0	0	107.5	D306	S304-D306 PolarHBondContact O-N 2.93Å
305	R	61.5	Low	59.5	Low	130 Å²	130	112.1 Å²	112.1	49%	0.491	56%	0.559	S	S	.	*			trans	-76.3	113.8	172.8	-69.5	-172.2	-179.3	-166.7	-1.9	108	E303 K307	E303-R305 HydrophobicContact CB-CG 4.31Å; E303-R305 PolarHBondContact O-N 2.73Å; E303-R305 IonicContact OE2-CZ 3.43Å; E303-R305 VanDerWaalsContact OE2-CZ 3.29Å; E303-R305 IonicContact OE2-NE 2.88Å; E303-R305 PolarHBondContact OE2-NE 2.98Å; E303-R305 IonicContact OE2-NH2 3.07Å; E303-R305 PolarHBondContact OE2-NH2 2.51Å; R305-K307 PolarHBondContact O-N 2.92Å
306	D	80.5	Confident	59.2	Low	49 Å²	49	108.7 Å²	108.7	26%	0.262	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-50	131.9	169.7	-70.2	-27.6	0	0	0	110.6	K288 E290 S304	K288-D306 HydrophobicContact CD-CB 3.84Å; K288-D306 WeakPolarHBondContact CE-OD2 3.49Å; K288-D306 HydrophobicContact CG-CB 3.65Å; K288-D306 IonicContact NZ-OD2 3.79Å; K288-D306 PolarHBondContact NZ-OD2 3.49Å; E290-D306 VanDerWaalsContact CG-OD1 3.31Å; E290-D306 WeakPolarHBondContact CG-OD1 3.41Å; S304-D306 PolarHBondContact O-N 2.93Å
307	K	90	Very high	58.8	Low	43 Å²	43	106 Å²	106	19%	0.187	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.3	-177.9	-74.4	-59.6	-171.3	-179.9	0	110.4	Q289 E291 R305 Y309 P344 D346	Q289-K307 PolarHBondContact N-O 3.25Å; Q289-K307 PolarHBondContact O-N 2.9Å; Q289-K307 VanDerWaalsContact O-N 3.09Å; E291-K307 HydrophobicContact CG-CG 4.31Å; R305-K307 PolarHBondContact O-N 2.92Å; K307-Y309 HydrophobicContact CB-CE2 3.86Å; K307-P344 HydrophobicContact CB-CB 3.72Å; K307-P344 HydrophobicContact CB-CG 4.32Å; K307-P344 HydrophobicContact CD-CB 4.29Å; K307-P344 HydrophobicContact CD-CG 4.47Å; K307-P344 HydrophobicContact CG-CB 4.18Å; K307-P344 HydrophobicContact CG-CG 4.34Å; K307-D346 IonicContact NZ-OD1 3.76Å; K307-D346 PolarHBondContact NZ-OD1 3.3Å; K307-D346 IonicContact NZ-OD2 3.43Å; K307-D346 PolarHBondContact NZ-OD2 3.26Å
308	L	93.4	Very high	58.6	Low	13 Å²	13	109 Å²	109	7%	0.068	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.9	-179.8	-60.4	173.9	0	0	0	109.9	L195 I286 T287 K288 P344 Y345 V348	L195-L308 HydrophobicContact CB-CD2 4.31Å; L195-L308 HydrophobicContact CD1-CD2 4.15Å; I286-L308 HydrophobicContact CG2-CB 4.29Å; I286-L308 HydrophobicContact CG2-CD2 4.22Å; T287-L308 WeakPolarHBondContact O-CA 3.32Å; K288-L308 HydrophobicContact CB-CD2 4.23Å; K288-L308 HydrophobicContact CG-CD2 4.21Å; L308-P344 CarbonylContact O-C 3.48Å; L308-P344 WeakPolarHBondContact O-CA 3.28Å; L308-Y345 WeakPolarHBondContact CB-O 3.48Å; L308-Y345 PolarHBondContact N-O 2.93Å; L308-Y345 PolarHBondContact O-N 2.69Å; L308-V348 HydrophobicContact CB-CG2 4.27Å; L308-V348 HydrophobicContact CD1-CB 4.38Å; L308-V348 HydrophobicContact CD1-CG2 3.72Å
309	Y	91.4	Very high	58.2	Low	48 Å²	48	107.6 Å²	107.6	19%	0.188	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.4	177.5	-70.7	-98.7	0	0	0	110.1	I286 T287 Q289 K307 P344	I286-Y309 WeakPolarHBondContact CA-O 3.29Å; T287-Y309 PolarHBondContact N-O 2.86Å; T287-Y309 PolarHBondContact O-N 2.91Å; Q289-Y309 HydrophobicContact CB-CD2 3.81Å; Q289-Y309 HydrophobicContact CB-CE2 3.72Å; Q289-Y309 HydrophobicContact CG-CD2 3.75Å; Q289-Y309 HydrophobicContact CG-CE2 4.11Å; K307-Y309 HydrophobicContact CB-CE2 3.86Å; Y309-P344 HydrophobicContact CD1-CB 4.22Å; Y309-P344 HydrophobicContact CD2-CB 4.23Å; Y309-P344 HydrophobicContact CE1-CB 3.89Å; Y309-P344 HydrophobicContact CE1-CG 4.06Å; Y309-P344 HydrophobicContact CE2-CB 3.87Å; Y309-P344 HydrophobicContact CE2-CG 4.45Å; Y309-P344 HydrophobicContact CG-CB 4.4Å
310	L	88.9	Confident	57.9	Low	6 Å²	6	106 Å²	106	3%	0.031	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.2	175	-174.2	146	0	0	0	109.8	L215 L240 V284 V285 L312 L341 Y345	L215-L310 HydrophobicContact CD2-CD1 3.33Å; L240-L310 HydrophobicContact CD2-CD1 3.76Å; V284-L310 HydrophobicContact CG1-CD1 3.54Å; V284-L310 HydrophobicContact CG1-CD2 4.23Å; V284-L310 HydrophobicContact CG1-CG 3.73Å; V285-L310 WeakPolarHBondContact O-CA 3.42Å; L310-L312 HydrophobicContact CD2-CD2 4.21Å; L310-L341 HydrophobicContact CD1-CD1 4.41Å; L310-L341 HydrophobicContact CD2-CB 4.06Å; L310-L341 HydrophobicContact CD2-CD1 3.49Å; L310-L341 VanDerWaalsContact CD2-CD1 3.49Å; L310-L341 HydrophobicContact CD2-CG 4.39Å; L310-Y345 HydrophobicContact CB-CE2 4.31Å
311	N	84.6	Confident	57.9	Low	63 Å²	63	105.8 Å²	105.8	34%	0.337	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.1	177.2	-63.2	-35.9	0	0	0	110.2	V285	V285-N311 PolarHBondContact N-O 2.98Å; V285-N311 PolarHBondContact O-N 3.23Å
312	L	77.8	Confident	57.9	Low	56 Å²	56	100.7 Å²	100.7	29%	0.293	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.4	176.6	-63.9	174.3	0	0	0	109.5	A279 D283 V284 L310 Q314	A279-L312 HydrophobicContact CB-CD2 4.17Å; D283-L312 WeakPolarHBondContact O-CA 3.41Å; V284-L312 HydrophobicContact CG2-CD2 3.95Å; L310-L312 HydrophobicContact CD2-CD2 4.21Å; L312-Q314 HydrophobicContact CB-CG 4.47Å; L312-Q314 PolarHBondContact O-N 2.77Å
313	R	70.1	Confident	57.8	Low	128 Å²	128	105.6 Å²	105.6	48%	0.483	53%	0.533	S	S	.	.			trans	-74.6	24.5	-179.2	-77.9	-178.1	161.9	172.7	-4.1	115.8	D283 V285 W329	D283-R313 PolarHBondContact O-N 3.32Å; V285-R313 HydrophobicContact CG2-CG 4.11Å; R313-W329 HydrophobicContact CG-CE3 3.99Å; R313-W329 HydrophobicContact CG-CZ3 3.57Å
314	Q	60.3	Low	57.4	Low	76 Å²	76	101.7 Å²	101.7	36%	0.355	53%	0.53	S	S	.	.			trans	-29.5	127.8	-154.2	-79.8	-155.3	-18.6	0	0	120.5	L312 L332	L312-Q314 HydrophobicContact CB-CG 4.47Å; L312-Q314 PolarHBondContact O-N 2.77Å; Q314-L332 HydrophobicContact CG-CD2 3.98Å
315	F	41.6	Very low	57.2	Low	176 Å²	176	102.1 Å²	102.1	77%	0.772	53%	0.533	S	S	*	.			trans	41.9	103.6	140.5	-65.5	-86.2	0	0	0	121.2	Q317	F315-Q317 PolarHBondContact O-N 3.07Å; F315-Q317 VanDerWaalsContact O-N 3.15Å
316	K	32.8	Very low	56.4	Low	142 Å²	142	103.8 Å²	103.8	62%	0.617	55%	0.551	S	S	*	*			trans	-62.1	109	147.6	-82.5	-167.3	176	-164.6	0	108.9	D320	K316-D320 PolarHBondContact NZ-O 3.17Å
317	Q	31.1	Very low	54.5	Low	179 Å²	179	108.3 Å²	108.3	84%	0.836	57%	0.571	S	S	*	*			trans	-61.9	141.4	151.3	-82.5	-173.2	-5.1	0	0	107.8	F315 G319	F315-Q317 PolarHBondContact O-N 3.07Å; F315-Q317 VanDerWaalsContact O-N 3.15Å; Q317-G319 PolarHBondContact O-N 2.97Å
318	N	34.2	Very low	52.2	Low	178 Å²	178	111.6 Å²	111.6	95%	0.952	60%	0.596	S	S	*	*	S	Bend	trans	-44.6	124.7	179.1	-79.1	-25.8	0	0	0	112.1
319	G	37.3	Very low	50.1	Low	71 Å²	71	117.3 Å²	117.3	73%	0.732	62%	0.617	S	S	*	*			trans	113.5	71.2	167.9	0	0	0	0	0	114.5	Q317	Q317-G319 PolarHBondContact O-N 2.97Å
320	D	31.4	Very low	47.9	Very low	142 Å²	142	119.5 Å²	119.5	76%	0.759	64%	0.635	S	S	*	*				-179.6	134.1	114.7	-113.1	-24	0	0	0	111.7	K316 G322	K316-D320 PolarHBondContact NZ-O 3.17Å; D320-G322 PolarHBondContact O-N 2.97Å
321	E	41.6	Very low	46.2	Very low	200 Å²	200	127 Å²	127	94%	0.935	67%	0.67	S	S	*	*			trans	-81.7	94.8	171.2	-72.7	-170.7	160.7	0	0	109.4
322	G	34.6	Very low	44.9	Very low	53 Å²	53	125.8 Å²	125.8	55%	0.546	66%	0.663	S	S	.	*			trans	-119.6	122.1	169.1	0	0	0	0	0	111	D320	D320-G322 PolarHBondContact O-N 2.97Å
323	K	40.2	Very low	43.8	Very low	220 Å²	220	125.2 Å²	125.2	96%	0.957	66%	0.663	S	S	*	*			trans	-69.1	134.9	170.5	-72.1	172	174.8	173.1	0	110.2
324	G	34.1	Very low	43.3	Very low	54 Å²	54	126.7 Å²	126.7	56%	0.557	68%	0.681	S	S	*	*			trans	175.9	109.7	167.1	0	0	0	0	0	112.5
325	S	43.7	Very low	43.3	Very low	118 Å²	118	132 Å²	132	83%	0.825	70%	0.699	S	S	*	*	S	Bend	trans	-64.6	135.8	158.5	45.7	0	0	0	0	109.1
326	D	45.7	Very low	44.5	Very low	164 Å²	164	126.5 Å²	126.5	88%	0.877	68%	0.677	S	S	*	*			trans	83.5	70.9	-170.9	-61	-22.7	0	0	0	115.3
327	E	40.4	Very low	46.3	Very low	145 Å²	145	125.9 Å²	125.9	68%	0.678	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-90.6	134.9	169.2	-78.3	-170.8	170.2	0	0	112.1
328	P	41.9	Very low	48.5	Very low	111 Å²	111	123.1 Å²	123.1	72%	0.721	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-69.8	146.3	177.3	-10.2	25.3	0	0	0	112.3	V330	P328-V330 PolarHBondContact O-N 2.92Å
329	W	48.7	Very low	50.7	Low	133 Å²	133	117.7 Å²	117.7	50%	0.504	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-59.4	120.3	168.8	-49.6	101.6	0	0	0	109.8	A191 V285 R313 E331	A191-W329 HydrophobicContact CB-CH2 4Å; V285-W329 HydrophobicContact CB-CE3 4.26Å; V285-W329 HydrophobicContact CB-CH2 3.83Å; V285-W329 HydrophobicContact CB-CZ3 3.56Å; V285-W329 HydrophobicContact CG1-CE3 4.35Å; V285-W329 HydrophobicContact CG1-CH2 3.46Å; V285-W329 VanDerWaalsContact CG1-CH2 3.46Å; V285-W329 HydrophobicContact CG1-CZ2 3.91Å; V285-W329 HydrophobicContact CG1-CZ3 3.69Å; V285-W329 HydrophobicContact CG2-CE3 4.1Å; V285-W329 HydrophobicContact CG2-CH2 3.34Å; V285-W329 HydrophobicContact CG2-CZ3 3.05Å; R313-W329 HydrophobicContact CG-CE3 3.99Å; R313-W329 HydrophobicContact CG-CZ3 3.57Å; W329-E331 PolarHBondContact O-N 2.99Å
330	V	44.4	Very low	52.6	Low	94 Å²	94	118.6 Å²	118.6	57%	0.57	63%	0.634	S	S	*	*			trans	-83.7	112.6	171.1	-177.5	0	0	0	0	107.4	P328	P328-V330 PolarHBondContact O-N 2.92Å
331	E	53.3	Low	55.1	Low	165 Å²	165	112.6 Å²	112.6	77%	0.771	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-57.6	138.3	166.4	-74	-177.2	154.7	0	0	108.3	W329	W329-E331 PolarHBondContact O-N 2.99Å
332	L	57.7	Low	57.2	Low	37 Å²	37	108.7 Å²	108.7	19%	0.194	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-49.5	139.3	171.1	-76.4	166.3	0	0	0	107.9	Q314 D334 F339	Q314-L332 HydrophobicContact CG-CD2 3.98Å; L332-D334 PolarHBondContact O-N 3.1Å; L332-F339 HydrophobicContact CD1-CD1 3.58Å; L332-F339 HydrophobicContact CD1-CD2 4.02Å; L332-F339 HydrophobicContact CD1-CE1 3.59Å; L332-F339 HydrophobicContact CD1-CE2 4.01Å; L332-F339 HydrophobicContact CD1-CG 3.81Å; L332-F339 HydrophobicContact CD1-CZ 3.81Å
333	P	55.8	Low	59.9	Low	44 Å²	44	111.9 Å²	111.9	29%	0.286	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-47.8	137.8	-178.5	-26.2	31.6	0	0	0	111.1	Y335 I336	P333-Y335 HydrophobicContact CB-CD1 3.52Å; P333-Y335 HydrophobicContact CB-CE1 3.12Å; P333-Y335 HydrophobicContact CB-CE2 4.44Å; P333-Y335 HydrophobicContact CB-CG 4.33Å; P333-Y335 HydrophobicContact CG-CE1 3.93Å; P333-Y335 PolarHBondContact O-N 3.23Å; P333-I336 HydrophobicContact CG-CD1 4.31Å; P333-I336 PolarHBondContact O-N 3.43Å
334	D	59.5	Low	62.4	Low	159 Å²	159	102.4 Å²	102.4	85%	0.85	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-19.6	-173.4	-71.3	-23.6	0	0	0	114.6	L332	L332-D334 PolarHBondContact O-N 3.1Å
335	Y	59.5	Low	65.4	Low	187 Å²	187	99.9 Å²	99.9	73%	0.733	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.4	177	67.7	-96.7	0	0	0	114.8	P333	P333-Y335 HydrophobicContact CB-CD1 3.52Å; P333-Y335 HydrophobicContact CB-CE1 3.12Å; P333-Y335 HydrophobicContact CB-CE2 4.44Å; P333-Y335 HydrophobicContact CB-CG 4.33Å; P333-Y335 HydrophobicContact CG-CE1 3.93Å; P333-Y335 PolarHBondContact O-N 3.23Å
336	I	65.8	Low	67.9	Low	61 Å²	61	95.8 Å²	95.8	31%	0.313	48%	0.481	S	S	.	.			trans	-108.2	83.6	178.5	-51.6	-176.3	0	0	0	109.5	P333	P333-I336 HydrophobicContact CG-CD1 4.31Å; P333-I336 PolarHBondContact O-N 3.43Å
337	D	71.6	Confident	70.3	Confident	129 Å²	129	89.7 Å²	89.7	69%	0.69	45%	0.446	S	S	*	.			trans	-94.2	-14.4	177.8	69.1	-12	0	0	0	113.5	R342	D337-R342 VanDerWaalsContact O-CD 3.26Å; D337-R342 WeakPolarHBondContact O-CD 3.16Å
338	N	78.1	Confident	73	Confident	121 Å²	121	82.9 Å²	82.9	65%	0.647	41%	0.414	S	S	*	.			trans	-108.9	80.7	-173.9	-172	25.1	0	0	0	113.1
339	F	79.9	Confident	75.7	Confident	63 Å²	63	77.6 Å²	77.6	28%	0.276	38%	0.38	S	S	.	.			trans	-125.7	156	173.7	64	-82	0	0	0	112.8	L332 L341 R342	L332-F339 HydrophobicContact CD1-CD1 3.58Å; L332-F339 HydrophobicContact CD1-CD2 4.02Å; L332-F339 HydrophobicContact CD1-CE1 3.59Å; L332-F339 HydrophobicContact CD1-CE2 4.01Å; L332-F339 HydrophobicContact CD1-CG 3.81Å; L332-F339 HydrophobicContact CD1-CZ 3.81Å; F339-L341 VanDerWaalsContact C-N 3.29Å; F339-L341 PolarHBondContact O-N 3.03Å; F339-R342 HydrophobicContact CD1-CB 3.81Å; F339-R342 HydrophobicContact CD2-CB 3.82Å; F339-R342 HydrophobicContact CE1-CB 3.44Å; F339-R342 VanDerWaalsContact CE1-CB 3.44Å; F339-R342 HydrophobicContact CE2-CB 3.47Å; F339-R342 VanDerWaalsContact CE2-CB 3.47Å; F339-R342 VanDerWaalsContact CE2-N 3.31Å; F339-R342 HydrophobicContact CG-CB 3.98Å; F339-R342 HydrophobicContact CZ-CB 3.27Å; F339-R342 WeakPolarHBondContact O-CD 3.2Å; F339-R342 WeakPolarHBondContact O-CG 3.32Å; F339-R342 PolarHBondContact O-N 3.03Å; F339-R342 PolarHBondContact O-NH1 3.11Å
340	S	77.1	Confident	78	Confident	90 Å²	90	73.3 Å²	73.3	63%	0.629	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.7	-167.2	-50.6	0	0	0	0	115	H238	H238-S340 PolarHBondContact CE1-O 3.4Å
341	L	84.6	Confident	80.5	Confident	16 Å²	16	69.1 Å²	69.1	8%	0.084	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	15.4	-172.2	-53.4	173.5	0	0	0	113.1	L240 A277 L310 F339 K343 Y345	L240-L341 HydrophobicContact CD1-CD1 3.95Å; A277-L341 HydrophobicContact CB-CD1 4.29Å; A277-L341 HydrophobicContact CB-CD2 4.3Å; L310-L341 HydrophobicContact CD1-CD1 4.41Å; L310-L341 HydrophobicContact CD2-CB 4.06Å; L310-L341 HydrophobicContact CD2-CD1 3.49Å; L310-L341 VanDerWaalsContact CD2-CD1 3.49Å; L310-L341 HydrophobicContact CD2-CG 4.39Å; F339-L341 VanDerWaalsContact C-N 3.29Å; F339-L341 PolarHBondContact O-N 3.03Å; L341-K343 PolarHBondContact O-N 3.21Å; L341-K343 VanDerWaalsContact O-N 3.15Å; L341-Y345 WeakPolarHBondContact CD2-OH 3.46Å
342	R	84.9	Confident	82.4	Confident	118 Å²	118	63.2 Å²	63.2	45%	0.445	31%	0.312	S	S	.	.			trans	-68	-9.3	-172.1	74.2	-174.1	176.8	-85.7	6.3	117.3	D337 F339	D337-R342 VanDerWaalsContact O-CD 3.26Å; D337-R342 WeakPolarHBondContact O-CD 3.16Å; F339-R342 HydrophobicContact CD1-CB 3.81Å; F339-R342 HydrophobicContact CD2-CB 3.82Å; F339-R342 HydrophobicContact CE1-CB 3.44Å; F339-R342 VanDerWaalsContact CE1-CB 3.44Å; F339-R342 HydrophobicContact CE2-CB 3.47Å; F339-R342 VanDerWaalsContact CE2-CB 3.47Å; F339-R342 VanDerWaalsContact CE2-N 3.31Å; F339-R342 HydrophobicContact CG-CB 3.98Å; F339-R342 HydrophobicContact CZ-CB 3.27Å; F339-R342 WeakPolarHBondContact O-CD 3.2Å; F339-R342 WeakPolarHBondContact O-CG 3.32Å; F339-R342 PolarHBondContact O-N 3.03Å; F339-R342 PolarHBondContact O-NH1 3.11Å
343	K	90.5	Very high	84.2	Confident	120 Å²	120	62.6 Å²	62.6	52%	0.522	31%	0.314	S	S	.	.	S	Bend	trans	-112.6	144.3	-175.4	-71.5	-65.5	-172.5	-178.8	0	108.6	R236 L341	R236-K343 VanDerWaalsContact NH2-C 3.29Å; R236-K343 PolarHBondContact NH2-O 3.06Å; L341-K343 PolarHBondContact O-N 3.21Å; L341-K343 VanDerWaalsContact O-N 3.15Å
344	P	93.9	Very high	86.1	Confident	21 Å²	21	61.7 Å²	61.7	14%	0.136	31%	0.306	C	S	.	.			trans	-66.5	165.6	-175.8	25.6	-33.6	0	0	0	114.1	R236 K307 L308 Y309	R236-P344 PolarHBondContact NH2-O 2.86Å; K307-P344 HydrophobicContact CB-CB 3.72Å; K307-P344 HydrophobicContact CB-CG 4.32Å; K307-P344 HydrophobicContact CD-CB 4.29Å; K307-P344 HydrophobicContact CD-CG 4.47Å; K307-P344 HydrophobicContact CG-CB 4.18Å; K307-P344 HydrophobicContact CG-CG 4.34Å; L308-P344 CarbonylContact O-C 3.48Å; L308-P344 WeakPolarHBondContact O-CA 3.28Å; Y309-P344 HydrophobicContact CD1-CB 4.22Å; Y309-P344 HydrophobicContact CD2-CB 4.23Å; Y309-P344 HydrophobicContact CE1-CB 3.89Å; Y309-P344 HydrophobicContact CE1-CG 4.06Å; Y309-P344 HydrophobicContact CE2-CB 3.87Å; Y309-P344 HydrophobicContact CE2-CG 4.45Å; Y309-P344 HydrophobicContact CG-CB 4.4Å
345	Y	96.2	Very high	87.8	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-118.2	150.6	174	-56.5	-82.5	0	0	0	110.6	A213 L215 H238 L308 L310 L341	A213-Y345 HydrophobicContact CB-CD1 4.23Å; A213-Y345 CarbonylContact O-C 3.48Å; A213-Y345 WeakPolarHBondContact O-CA 3.48Å; L215-Y345 HydrophobicContact CB-CD1 3.67Å; L215-Y345 HydrophobicContact CB-CD2 4.03Å; L215-Y345 HydrophobicContact CB-CE1 3.89Å; L215-Y345 HydrophobicContact CB-CE2 4.23Å; L215-Y345 HydrophobicContact CB-CG 3.75Å; L215-Y345 HydrophobicContact CD1-CE1 4.42Å; L215-Y345 HydrophobicContact CD2-CD2 4.29Å; L215-Y345 HydrophobicContact CD2-CE2 4.19Å; H238-Y345 HydrophobicContact CB-CE1 4.01Å; H238-Y345 AromaticContact ND1-CE1 3.65Å; H238-Y345 AromaticContact ND1-CZ 3.68Å; H238-Y345 PolarHBondContact ND1-OH 3.11Å; L308-Y345 WeakPolarHBondContact CB-O 3.48Å; L308-Y345 PolarHBondContact N-O 2.93Å; L308-Y345 PolarHBondContact O-N 2.69Å; L310-Y345 HydrophobicContact CB-CE2 4.31Å; L341-Y345 WeakPolarHBondContact CD2-OH 3.46Å
346	D	96.3	Very high	89.6	Confident	32 Å²	32	50 Å²	50	17%	0.171	25%	0.249	C	C	.	.	S	Bend	trans	-82.8	-34.6	170.2	-68.5	-84.8	0	0	0	111	Q212 A213 K307	Q212-D346 HydrophobicContact CB-CB 3.81Å; Q212-D346 HydrophobicContact CG-CB 3.93Å; A213-D346 PolarHBondContact N-OD2 2.67Å; A213-D346 PolarHBondContact O-N 2.91Å; K307-D346 IonicContact NZ-OD1 3.76Å; K307-D346 PolarHBondContact NZ-OD1 3.3Å; K307-D346 IonicContact NZ-OD2 3.43Å; K307-D346 PolarHBondContact NZ-OD2 3.26Å
347	R	96.6	Very high	91	Very high	36 Å²	36	48.2 Å²	48.2	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.8	-177	-60.2	-175.6	72	171.3	6.4	111.4	E197 Y209 A213 L215	E197-R347 IonicContact OE1-CZ 2.62Å; E197-R347 VanDerWaalsContact OE1-CZ 3.27Å; E197-R347 IonicContact OE1-NE 3Å; E197-R347 PolarHBondContact OE1-NE 2.86Å; E197-R347 IonicContact OE1-NH2 3.78Å; E197-R347 PolarHBondContact OE1-NH2 3.06Å; E197-R347 IonicContact OE2-CZ 2.84Å; E197-R347 IonicContact OE2-NE 2.87Å; E197-R347 IonicContact OE2-NH2 3.73Å; E197-R347 PolarHBondContact OE2-NH2 2.82Å; Y209-R347 VanDerWaalsContact CZ-NH1 3.32Å; A213-R347 PolarHBondContact O-N 3.42Å; L215-R347 PolarHBondContact N-O 2.93Å
348	V	97.1	Very high	92.2	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.8	168.9	-176.5	0	0	0	0	108.5	A196 E197 L215 L217 I286 L308	A196-V348 CarbonylContact C-O 3.23Å; A196-V348 WeakPolarHBondContact CA-O 3.29Å; A196-V348 HydrophobicContact CB-CB 4.22Å; A196-V348 HydrophobicContact CB-CG1 3.89Å; E197-V348 PolarHBondContact N-O 3.2Å; L215-V348 HydrophobicContact CB-CG1 4.45Å; L215-V348 HydrophobicContact CB-CG2 4.19Å; L215-V348 HydrophobicContact CD2-CG1 4.11Å; L215-V348 HydrophobicContact CD2-CG2 4.15Å; L215-V348 HydrophobicContact CG-CG1 4.36Å; L215-V348 CarbonylContact O-C 3.59Å; L215-V348 VanDerWaalsContact O-CA 3.28Å; L215-V348 WeakPolarHBondContact O-CA 3.25Å; L217-V348 HydrophobicContact CD1-CG1 3.87Å; L217-V348 HydrophobicContact CD2-CG1 4.21Å; L217-V348 HydrophobicContact CG-CG1 3.83Å; I286-V348 HydrophobicContact CD1-CB 4.34Å; I286-V348 HydrophobicContact CD1-CG1 3.79Å; I286-V348 HydrophobicContact CD1-CG2 4.23Å; I286-V348 HydrophobicContact CG2-CG2 4.37Å; L308-V348 HydrophobicContact CB-CG2 4.27Å; L308-V348 HydrophobicContact CD1-CB 4.38Å; L308-V348 HydrophobicContact CD1-CG2 3.72Å
349	I	97.8	Very high	93	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.9	-176.2	-57.3	174.8	0	0	0	109.6	E197 I202 Y209 V214 L215 I216 L217 T226	E197-I349 CarbonylContact O-C 3.5Å; E197-I349 WeakPolarHBondContact O-CA 3.28Å; I202-I349 HydrophobicContact CD1-CD1 4.31Å; I202-I349 HydrophobicContact CD1-CG2 4.08Å; I202-I349 HydrophobicContact CG2-CB 4.44Å; I202-I349 HydrophobicContact CG2-CD1 4.18Å; I202-I349 HydrophobicContact CG2-CG1 4.04Å; I202-I349 HydrophobicContact CG2-CG2 3.7Å; Y209-I349 HydrophobicContact CE1-CD1 3.94Å; V214-I349 HydrophobicContact CG1-CD1 3.74Å; V214-I349 HydrophobicContact CG1-CG1 4.21Å; L215-I349 PolarHBondContact O-N 3.28Å; I216-I349 CarbonylContact C-O 3.53Å; I216-I349 WeakPolarHBondContact CA-O 3.3Å; I216-I349 HydrophobicContact CG1-CB 4.42Å; L217-I349 PolarHBondContact N-O 3.49Å; T226-I349 HydrophobicContact CG2-CD1 4.1Å
350	R	96.6	Very high	93.7	Very high	43 Å²	43	40.4 Å²	40.4	16%	0.162	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.5	174.6	61.3	171.7	176.9	72.7	-3.7	112	E187 E197 G198 Y199 E200 L352	E187-R350 IonicContact OE1-NH2 3.77Å; E197-R350 WeakPolarHBondContact O-CG 3.36Å; E197-R350 PolarHBondContact O-N 3.29Å; G198-R350 VanDerWaalsContact CA-CZ 3.49Å; Y199-R350 WeakPolarHBondContact CB-O 3.43Å; Y199-R350 PolarHBondContact N-O 3.16Å; E200-R350 VanDerWaalsContact CD-NH1 3.3Å; E200-R350 IonicContact OE1-CZ 3.36Å; E200-R350 IonicContact OE1-NH1 2.68Å; E200-R350 PolarHBondContact OE1-NH1 2.99Å; E200-R350 IonicContact OE1-NH2 3.69Å; E200-R350 PolarHBondContact OE1-NH2 2.77Å; E200-R350 IonicContact OE2-CZ 3.42Å; E200-R350 IonicContact OE2-NH1 3.6Å; E200-R350 PolarHBondContact OE2-NH1 3.21Å; R350-L352 HydrophobicContact CB-CD1 4.35Å; R350-L352 HydrophobicContact CB-CG 4.22Å
351	C	97.1	Very high	94.7	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.047	18%	0.179	C	C	.	.			trans	-114.3	53.5	176.2	-69.7	0	0	0	0	110.7	I216 L217 A223 G353	I216-C351 HydrophobicContact CG2-CB 3.99Å; L217-C351 CarbonylContact O-C 3.55Å; L217-C351 WeakPolarHBondContact O-CA 3.44Å; L217-C351 PolarHBondContact O-N 2.85Å; A223-C351 HydrophobicContact CB-CB 3.55Å; C351-G353 VanDerWaalsContact C-N 3.32Å; C351-G353 PolarHBondContact O-N 2.84Å
352	L	94.7	Very high	95.2	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.209	19%	0.185	C	C	.	.			trans	-86.5	0.1	-171.5	-54.5	179.9	0	0	0	114.2	Q186 V188 L217 L281 R350	Q186-L352 HydrophobicContact CB-CB 4.24Å; Q186-L352 HydrophobicContact CG-CB 4.31Å; V188-L352 HydrophobicContact CB-CD1 4.06Å; V188-L352 HydrophobicContact CG2-CD1 3.8Å; L217-L352 HydrophobicContact CB-CD2 4.15Å; L217-L352 WeakPolarHBondContact O-CD2 3.42Å; L281-L352 HydrophobicContact CD1-CD1 3.74Å; L281-L352 HydrophobicContact CD1-CD2 3.85Å; L281-L352 HydrophobicContact CD1-CG 4.48Å; R350-L352 HydrophobicContact CB-CD1 4.35Å; R350-L352 HydrophobicContact CB-CG 4.22Å
353	G	94.3	Very high	95.5	Very high	24 Å²	24	37.6 Å²	37.6	25%	0.247	20%	0.202	C	C	.	.			trans	85.9	-163.8	-179.7	0	0	0	0	0	113.2	Q186 C351	Q186-G353 VanDerWaalsContact CB-O 3.32Å; Q186-G353 WeakPolarHBondContact CB-O 3.39Å; Q186-G353 PolarHBondContact N-O 2.8Å; C351-G353 VanDerWaalsContact C-N 3.32Å; C351-G353 PolarHBondContact O-N 2.84Å
354	F	95.6	Very high	95.6	Very high	25 Å²	25	34.5 Å²	34.5	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	162.2	-176	-59.6	-90.2	0	0	0	111.1	Y73 L182 W183 V184 P185 Y199	Y73-F354 HydrophobicContact CD1-CZ 4.19Å; Y73-F354 HydrophobicContact CE1-CE1 4.4Å; Y73-F354 AromaticContact CE1-CZ 3.68Å; Y73-F354 HydrophobicContact CE1-CZ 3.68Å; Y73-F354 HydrophobicContact CE2-CE1 4.32Å; Y73-F354 HydrophobicContact CE2-CZ 4.18Å; Y73-F354 AromaticContact CZ-CE1 3.94Å; Y73-F354 AromaticContact CZ-CZ 3.66Å; L182-F354 HydrophobicContact CB-CB 3.92Å; W183-F354 WeakPolarHBondContact O-CD1 3.2Å; V184-F354 CarbonylContact O-C 3.38Å; V184-F354 WeakPolarHBondContact O-CA 3.36Å; V184-F354 WeakPolarHBondContact O-CB 3.46Å; P185-F354 HydrophobicContact CG-CD1 4.47Å; P185-F354 HydrophobicContact CG-CE1 4.32Å; Y199-F354 HydrophobicContact CD1-CE2 4.25Å; Y199-F354 AromaticContact CD1-CZ 3.98Å; Y199-F354 HydrophobicContact CD1-CZ 3.98Å; Y199-F354 HydrophobicContact CE1-CE2 4.15Å; Y199-F354 HydrophobicContact CE1-CZ 4.06Å
355	R	95.8	Very high	95.5	Very high	99 Å²	99	33.5 Å²	33.5	37%	0.374	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	162.1	174.8	61.5	177.2	170	146.2	-3.5	111.5	V184 R376	V184-R355 HydrophobicContact CB-CG 3.93Å; V184-R355 HydrophobicContact CG1-CG 3.96Å; V184-R355 PolarHBondContact N-O 3.33Å; V184-R355 PolarHBondContact O-N 3.43Å; R355-R376 HydrophobicContact CB-CB 4.09Å; R355-R376 HydrophobicContact CB-CG 4.23Å
356	F	96.9	Very high	95.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	22%	0.219	C	C	.	.			trans	-70.2	143.5	173.8	-177.2	-101.6	0	0	0	110.7	V178 T180 L182 F358 F361 L367 R376 P378 L394 A398	V178-F356 HydrophobicContact CG1-CE2 4.06Å; V178-F356 HydrophobicContact CG1-CZ 4Å; T180-F356 WeakPolarHBondContact OG1-CE2 3.32Å; L182-F356 HydrophobicContact CD2-CB 3.79Å; L182-F356 HydrophobicContact CD2-CD2 4.44Å; F356-F358 HydrophobicContact CB-CD2 4.48Å; F356-F358 HydrophobicContact CB-CE2 4Å; F356-F358 HydrophobicContact CB-CZ 4.31Å; F356-F358 AromaticContact CD1-CD1 3.82Å; F356-F358 HydrophobicContact CD1-CD1 3.82Å; F356-F358 AromaticContact CD1-CD2 3.96Å; F356-F358 HydrophobicContact CD1-CD2 3.96Å; F356-F358 AromaticContact CD1-CE1 3.76Å; F356-F358 HydrophobicContact CD1-CE1 3.76Å; F356-F358 AromaticContact CD1-CE2 3.91Å; F356-F358 HydrophobicContact CD1-CE2 3.91Å; F356-F358 AromaticContact CD1-CG 3.93Å; F356-F358 HydrophobicContact CD1-CG 3.93Å; F356-F358 AromaticContact CD1-CZ 3.81Å; F356-F358 HydrophobicContact CD1-CZ 3.81Å; F356-F358 HydrophobicContact CE1-CD1 4.12Å; F356-F358 HydrophobicContact CE1-CE1 4.25Å; F356-F358 HydrophobicContact CE1-CG 4.47Å; F356-F358 HydrophobicContact CG-CE2 4.46Å; F356-F358 HydrophobicContact CG-CZ 4.5Å; F356-F358 WeakPolarHBondContact O-CD2 3.3Å; F356-F358 PolarHBondContact O-N 3.1Å; F356-F361 HydrophobicContact CE1-CD2 4.36Å; F356-F361 AromaticContact CE1-CE2 3.59Å; F356-F361 HydrophobicContact CE1-CE2 3.59Å; F356-F361 HydrophobicContact CE1-CZ 4.34Å; F356-F361 AromaticContact CZ-CE2 3.67Å; F356-F361 HydrophobicContact CZ-CE2 3.67Å; F356-F361 HydrophobicContact CZ-CZ 4.04Å; F356-L367 HydrophobicContact CE1-CD1 4.19Å; F356-L367 HydrophobicContact CZ-CD1 4.3Å; F356-R376 WeakPolarHBondContact CB-O 3.35Å; F356-R376 PolarHBondContact N-O 2.87Å; F356-P378 HydrophobicContact CD1-CB 4.34Å; F356-P378 HydrophobicContact CD1-CG 4.27Å; F356-P378 HydrophobicContact CD2-CG 4.25Å; F356-P378 HydrophobicContact CE1-CB 4.4Å; F356-P378 HydrophobicContact CE1-CG 4.42Å; F356-P378 HydrophobicContact CE2-CG 4.4Å; F356-P378 HydrophobicContact CG-CG 4.18Å; F356-P378 HydrophobicContact CZ-CG 4.48Å; F356-L394 HydrophobicContact CE2-CD1 3.98Å; F356-L394 HydrophobicContact CZ-CD1 3.95Å; F356-A398 HydrophobicContact CD2-CB 3.81Å; F356-A398 HydrophobicContact CE2-CB 3.87Å
357	N	96.3	Very high	95.2	Very high	24 Å²	24	39.9 Å²	39.9	13%	0.128	21%	0.211	C	C	.	.			trans	-84.3	98.7	177.1	-169.4	8.3	0	0	0	111.1	W183 V184 S359	W183-N357 HydrophobicContact CZ2-CB 4.21Å; V184-N357 HydrophobicContact CG2-CB 3.7Å; N357-S359 PolarHBondContact ND2-OG 3.37Å; N357-S359 WeakPolarHBondContact OD1-CB 3.05Å; N357-S359 PolarHBondContact OD1-N 2.94Å; N357-S359 PolarHBondContact OD1-OG 3.24Å
358	F	95.3	Very high	95.1	Very high	37 Å²	37	40.3 Å²	40.3	16%	0.162	22%	0.218	C	C	.	.			trans	-81.8	-12	175.2	-65.8	-86.1	0	0	0	113.5	F356 I360 F361 L367 P369 P378	F356-F358 HydrophobicContact CB-CD2 4.48Å; F356-F358 HydrophobicContact CB-CE2 4Å; F356-F358 HydrophobicContact CB-CZ 4.31Å; F356-F358 AromaticContact CD1-CD1 3.82Å; F356-F358 HydrophobicContact CD1-CD1 3.82Å; F356-F358 AromaticContact CD1-CD2 3.96Å; F356-F358 HydrophobicContact CD1-CD2 3.96Å; F356-F358 AromaticContact CD1-CE1 3.76Å; F356-F358 HydrophobicContact CD1-CE1 3.76Å; F356-F358 AromaticContact CD1-CE2 3.91Å; F356-F358 HydrophobicContact CD1-CE2 3.91Å; F356-F358 AromaticContact CD1-CG 3.93Å; F356-F358 HydrophobicContact CD1-CG 3.93Å; F356-F358 AromaticContact CD1-CZ 3.81Å; F356-F358 HydrophobicContact CD1-CZ 3.81Å; F356-F358 HydrophobicContact CE1-CD1 4.12Å; F356-F358 HydrophobicContact CE1-CE1 4.25Å; F356-F358 HydrophobicContact CE1-CG 4.47Å; F356-F358 HydrophobicContact CG-CE2 4.46Å; F356-F358 HydrophobicContact CG-CZ 4.5Å; F356-F358 WeakPolarHBondContact O-CD2 3.3Å; F356-F358 PolarHBondContact O-N 3.1Å; F358-I360 VanDerWaalsContact C-N 3.27Å; F358-I360 PolarHBondContact O-N 2.93Å; F358-F361 PolarHBondContact O-N 2.99Å; F358-L367 HydrophobicContact CD1-CB 4.49Å; F358-L367 HydrophobicContact CE1-CB 4.28Å; F358-P369 HydrophobicContact CZ-CB 4.41Å; F358-P369 HydrophobicContact CZ-CG 4.43Å; F358-P378 HydrophobicContact CE1-CB 4.07Å; F358-P378 HydrophobicContact CZ-CB 4.28Å
359	S	95.3	Very high	95	Very high	97 Å²	97	44.1 Å²	44.1	68%	0.678	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.8	-171.7	73.8	0	0	0	0	113.6	N357 F361	N357-S359 PolarHBondContact ND2-OG 3.37Å; N357-S359 WeakPolarHBondContact OD1-CB 3.05Å; N357-S359 PolarHBondContact OD1-N 2.94Å; N357-S359 PolarHBondContact OD1-OG 3.24Å; S359-F361 PolarHBondContact O-N 3.39Å
360	I	95.7	Very high	94.8	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.077	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.9	-179.6	65.7	179.3	0	0	0	113.1	L37 R149 I150 F358	L37-I360 HydrophobicContact CD2-CD1 4.02Å; R149-I360 CarbonylContact C-O 3.52Å; R149-I360 WeakPolarHBondContact CA-O 3.42Å; I150-I360 WeakPolarHBondContact CB-O 3.41Å; I150-I360 HydrophobicContact CD1-CD1 3.74Å; I150-I360 HydrophobicContact CD1-CG1 3.96Å; I150-I360 PolarHBondContact N-O 3.37Å; F358-I360 VanDerWaalsContact C-N 3.27Å; F358-I360 PolarHBondContact O-N 2.93Å
361	F	96.8	Very high	94.5	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.048	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-100.6	121.5	-177.1	-61.2	-87.7	0	0	0	111.4	I150 V178 F356 F358 S359 A365 L367 L392	I150-F361 HydrophobicContact CB-CD1 4.04Å; I150-F361 HydrophobicContact CB-CE1 4.37Å; I150-F361 HydrophobicContact CD1-CD1 4.04Å; I150-F361 HydrophobicContact CD1-CE1 3.58Å; I150-F361 HydrophobicContact CD1-CZ 3.89Å; I150-F361 HydrophobicContact CG2-CD1 4.07Å; I150-F361 HydrophobicContact CG2-CE1 4.23Å; V178-F361 HydrophobicContact CG1-CZ 4.29Å; V178-F361 HydrophobicContact CG2-CE1 4.33Å; V178-F361 HydrophobicContact CG2-CZ 4.09Å; F356-F361 HydrophobicContact CE1-CD2 4.36Å; F356-F361 AromaticContact CE1-CE2 3.59Å; F356-F361 HydrophobicContact CE1-CE2 3.59Å; F356-F361 HydrophobicContact CE1-CZ 4.34Å; F356-F361 AromaticContact CZ-CE2 3.67Å; F356-F361 HydrophobicContact CZ-CE2 3.67Å; F356-F361 HydrophobicContact CZ-CZ 4.04Å; F358-F361 PolarHBondContact O-N 2.99Å; S359-F361 PolarHBondContact O-N 3.39Å; F361-A365 HydrophobicContact CD1-CB 4.37Å; F361-A365 WeakPolarHBondContact CD1-O 3.03Å; F361-L367 HydrophobicContact CE1-CD1 4.36Å; F361-L367 HydrophobicContact CE2-CD1 4.36Å; F361-L367 HydrophobicContact CZ-CD1 4.1Å; F361-L392 HydrophobicContact CD1-CD1 4.29Å; F361-L392 HydrophobicContact CE1-CD1 3.87Å
362	D	95	Very high	94	Very high	37 Å²	37	54 Å²	54	20%	0.198	29%	0.293	C	S	.	.			trans	-63.5	163.6	167.9	-82	8.4	0	0	0	111	R149 I150 R151 S364 A365 R366	R149-D362 WeakPolarHBondContact CG-OD1 3.29Å; R149-D362 IonicContact CZ-OD1 3.37Å; R149-D362 IonicContact CZ-OD2 3.38Å; R149-D362 VanDerWaalsContact NE-CG 3.27Å; R149-D362 IonicContact NE-OD1 3.01Å; R149-D362 PolarHBondContact NE-OD1 3.29Å; R149-D362 IonicContact NE-OD2 3.77Å; R149-D362 PolarHBondContact NE-OD2 2.81Å; R149-D362 IonicContact NH2-OD1 2.79Å; R149-D362 IonicContact NH2-OD2 3.3Å; R149-D362 PolarHBondContact NH2-OD2 3.19Å; I150-D362 WeakPolarHBondContact O-CB 3.44Å; I150-D362 PolarHBondContact O-N 3.05Å; R151-D362 HydrophobicContact CB-CB 4.21Å; D362-S364 PolarHBondContact O-N 3.36Å; D362-A365 CarbonylContact O-C 3.54Å; D362-A365 PolarHBondContact O-N 3.47Å; D362-R366 PolarHBondContact O-N 3.23Å
363	S	92	Very high	93.6	Very high	117 Å²	117	52.5 Å²	52.5	82%	0.818	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-52.1	-30.8	176.1	56.7	0	0	0	0	113.7
364	S	91.8	Very high	93.3	Very high	54 Å²	54	60 Å²	60	38%	0.378	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-73.7	-20.6	179.2	62.7	0	0	0	0	114.7	L152 D362	L152-S364 WeakPolarHBondContact CB-O 3.41Å; L152-S364 PolarHBondContact N-OG 2.93Å; D362-S364 PolarHBondContact O-N 3.36Å
365	A	92.8	Very high	93.1	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-125.7	17.7	-177.9	0	0	0	0	0	112.5	I150 L152 Y161 F361 D362 L367	I150-A365 HydrophobicContact CG2-CB 4.32Å; L152-A365 HydrophobicContact CB-CB 4.33Å; Y161-A365 HydrophobicContact CD1-CB 4.34Å; Y161-A365 HydrophobicContact CE1-CB 4.1Å; F361-A365 HydrophobicContact CD1-CB 4.37Å; F361-A365 WeakPolarHBondContact CD1-O 3.03Å; D362-A365 CarbonylContact O-C 3.54Å; D362-A365 PolarHBondContact O-N 3.47Å; A365-L367 PolarHBondContact O-N 3.14Å
366	R	92.6	Very high	93	Very high	167 Å²	167	58 Å²	58	63%	0.63	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-74	123.5	-170.3	-161.2	176.9	-153	-171.2	5.9	112.3	D362	D362-R366 PolarHBondContact O-N 3.23Å
367	L	93.4	Very high	92.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-80.5	133.3	171.2	-67.9	164	0	0	0	110.6	F356 F358 F361 A365 P378 T389 L392 L394	F356-L367 HydrophobicContact CE1-CD1 4.19Å; F356-L367 HydrophobicContact CZ-CD1 4.3Å; F358-L367 HydrophobicContact CD1-CB 4.49Å; F358-L367 HydrophobicContact CE1-CB 4.28Å; F361-L367 HydrophobicContact CE1-CD1 4.36Å; F361-L367 HydrophobicContact CE2-CD1 4.36Å; F361-L367 HydrophobicContact CZ-CD1 4.1Å; A365-L367 PolarHBondContact O-N 3.14Å; L367-P378 HydrophobicContact CB-CB 4.23Å; L367-P378 HydrophobicContact CD1-CB 4.07Å; L367-T389 HydrophobicContact CD2-CG2 4.2Å; L367-T389 VanDerWaalsContact CD2-OG1 3.28Å; L367-T389 WeakPolarHBondContact CD2-OG1 3.44Å; L367-L392 HydrophobicContact CD1-CD1 4.47Å; L367-L392 HydrophobicContact CD1-CD2 4.03Å; L367-L392 HydrophobicContact CD2-CD1 4.42Å; L367-L392 HydrophobicContact CD2-CD2 4.1Å; L367-L392 HydrophobicContact CG-CD1 4.38Å; L367-L392 HydrophobicContact CG-CD2 4.45Å; L367-L394 HydrophobicContact CD1-CD1 4.01Å; L367-L394 HydrophobicContact CD1-CD2 3.83Å; L367-L394 HydrophobicContact CD1-CG 4.38Å; L367-L394 HydrophobicContact CD2-CD2 4.04Å
368	P	94.1	Very high	92.9	Very high	44 Å²	44	57 Å²	57	29%	0.286	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-70.6	145.2	171.3	29.6	-33.2	0	0	0	110.2	G379 K387	P368-G379 PolarHBondContact O-N 3.49Å; P368-K387 WeakPolarHBondContact CD-O 3.36Å; P368-K387 HydrophobicContact CG-CB 3.82Å
369	P	94.9	Very high	93	Very high	82 Å²	82	55.3 Å²	55.3	53%	0.532	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-57.9	149.1	166.5	-23.5	34.5	0	0	0	111.6	F358	F358-P369 HydrophobicContact CZ-CB 4.41Å; F358-P369 HydrophobicContact CZ-CG 4.43Å
370	S	94.6	Very high	93	Very high	10 Å²	10	50.9 Å²	50.9	7%	0.07	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-72.5	146.7	174.3	62.5	0	0	0	0	111.6	N372 G375 L377	S370-N372 WeakPolarHBondContact CB-OD1 3.17Å; S370-N372 PolarHBondContact O-N 3.05Å; S370-N372 PolarHBondContact OG-O 3.44Å; S370-N372 PolarHBondContact OG-OD1 2.84Å; S370-N372 VanDerWaalsContact OG-OD1 3.13Å; S370-G375 WeakPolarHBondContact O-CA 3.38Å; S370-G375 PolarHBondContact O-N 3.35Å; S370-L377 WeakPolarHBondContact CB-O 3.39Å; S370-L377 PolarHBondContact N-O 3.05Å; S370-L377 PolarHBondContact OG-O 2.87Å
371	E	89.3	Confident	93	Very high	185 Å²	185	51.6 Å²	51.6	86%	0.864	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-28.8	172.6	-69.6	164	-149.6	0	0	112.3
372	N	87.9	Confident	93	Very high	62 Å²	62	52 Å²	52	33%	0.332	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	178.4	174.8	67.5	7.6	0	0	0	112.3	S370 K374 G375 S401	S370-N372 WeakPolarHBondContact CB-OD1 3.17Å; S370-N372 PolarHBondContact O-N 3.05Å; S370-N372 PolarHBondContact OG-O 3.44Å; S370-N372 PolarHBondContact OG-OD1 2.84Å; S370-N372 VanDerWaalsContact OG-OD1 3.13Å; N372-K374 PolarHBondContact O-N 3.49Å; N372-G375 PolarHBondContact O-N 3.01Å; N372-G375 VanDerWaalsContact O-N 3.14Å; N372-S401 PolarHBondContact ND2-O 2.73Å
373	A	86.2	Confident	93.1	Very high	9 Å²	9	52.6 Å²	52.6	7%	0.074	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	54.1	22.6	-179.4	0	0	0	0	0	115	G375 R376 L377 Y404	A373-G375 VanDerWaalsContact C-N 3.3Å; A373-G375 PolarHBondContact O-N 2.91Å; A373-R376 WeakPolarHBondContact O-CB 3.35Å; A373-R376 WeakPolarHBondContact O-CG 3.07Å; A373-R376 PolarHBondContact O-N 3.16Å; A373-R376 PolarHBondContact O-NE 3.26Å; A373-L377 HydrophobicContact CB-CD1 3.66Å; A373-L377 HydrophobicContact CB-CG 4.07Å; A373-Y404 HydrophobicContact CB-CD1 3.85Å; A373-Y404 HydrophobicContact CB-CD2 4.05Å; A373-Y404 HydrophobicContact CB-CE1 3.91Å; A373-Y404 HydrophobicContact CB-CE2 4.14Å; A373-Y404 HydrophobicContact CB-CG 3.92Å
374	K	87.4	Confident	93.4	Very high	182 Å²	182	47.2 Å²	47.2	79%	0.791	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	56.5	38.1	-176	-55.8	-177.4	177.2	-173.2	0	113	N372 R376	N372-K374 PolarHBondContact O-N 3.49Å; K374-R376 PolarHBondContact O-N 3.5Å
375	G	91.2	Very high	93.7	Very high	25 Å²	25	45.3 Å²	45.3	26%	0.258	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	73.2	6.6	178.2	0	0	0	0	0	115.7	S370 N372 A373 L377	S370-G375 WeakPolarHBondContact O-CA 3.38Å; S370-G375 PolarHBondContact O-N 3.35Å; N372-G375 PolarHBondContact O-N 3.01Å; N372-G375 VanDerWaalsContact O-N 3.14Å; A373-G375 VanDerWaalsContact C-N 3.3Å; A373-G375 PolarHBondContact O-N 2.91Å; G375-L377 VanDerWaalsContact C-N 3.26Å; G375-L377 PolarHBondContact O-N 3.05Å
376	R	93.5	Very high	93.8	Very high	57 Å²	57	45.5 Å²	45.5	22%	0.215	23%	0.227	C	C	.	.			trans	-72	-19	-178.9	-66.1	-175.5	-63.2	160.9	1.4	114.3	R355 F356 A373 K374 Y404	R355-R376 HydrophobicContact CB-CB 4.09Å; R355-R376 HydrophobicContact CB-CG 4.23Å; F356-R376 WeakPolarHBondContact CB-O 3.35Å; F356-R376 PolarHBondContact N-O 2.87Å; A373-R376 WeakPolarHBondContact O-CB 3.35Å; A373-R376 WeakPolarHBondContact O-CG 3.07Å; A373-R376 PolarHBondContact O-N 3.16Å; A373-R376 PolarHBondContact O-NE 3.26Å; K374-R376 PolarHBondContact O-N 3.5Å; R376-Y404 PolarHBondContact NH2-OH 2.78Å
377	L	96	Very high	93.8	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-112.7	153.9	-177.4	-63.2	169.5	0	0	0	109.8	L182 S370 A373 G375 H400 Y404	L182-L377 HydrophobicContact CD1-CD2 3.73Å; L182-L377 HydrophobicContact CD2-CD2 3.65Å; L182-L377 HydrophobicContact CG-CD2 4.23Å; S370-L377 WeakPolarHBondContact CB-O 3.39Å; S370-L377 PolarHBondContact N-O 3.05Å; S370-L377 PolarHBondContact OG-O 2.87Å; A373-L377 HydrophobicContact CB-CD1 3.66Å; A373-L377 HydrophobicContact CB-CG 4.07Å; G375-L377 VanDerWaalsContact C-N 3.26Å; G375-L377 PolarHBondContact O-N 3.05Å; L377-H400 HydrophobicContact CD1-CB 4.24Å; L377-Y404 HydrophobicContact CD1-CD2 4.17Å
378	P	96.3	Very high	93.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-73.6	147.4	173.4	29	-33.9	0	0	0	111.9	F356 F358 L367 L394 A398 S401	F356-P378 HydrophobicContact CD1-CB 4.34Å; F356-P378 HydrophobicContact CD1-CG 4.27Å; F356-P378 HydrophobicContact CD2-CG 4.25Å; F356-P378 HydrophobicContact CE1-CB 4.4Å; F356-P378 HydrophobicContact CE1-CG 4.42Å; F356-P378 HydrophobicContact CE2-CG 4.4Å; F356-P378 HydrophobicContact CG-CG 4.18Å; F356-P378 HydrophobicContact CZ-CG 4.48Å; F358-P378 HydrophobicContact CE1-CB 4.07Å; F358-P378 HydrophobicContact CZ-CB 4.28Å; L367-P378 HydrophobicContact CB-CB 4.23Å; L367-P378 HydrophobicContact CD1-CB 4.07Å; P378-L394 HydrophobicContact CB-CD1 4.29Å; P378-L394 HydrophobicContact CB-CG 4.31Å; P378-L394 HydrophobicContact CG-CD1 3.62Å; P378-L394 HydrophobicContact CG-CG 3.77Å; P378-A398 VanDerWaalsContact CD-O 3.25Å; P378-A398 WeakPolarHBondContact CD-O 3.13Å; P378-A398 VanDerWaalsContact CG-O 3.27Å; P378-A398 WeakPolarHBondContact CG-O 3.15Å; P378-S401 VanDerWaalsContact O-CB 3.27Å; P378-S401 WeakPolarHBondContact O-CB 3.41Å; P378-S401 PolarHBondContact O-OG 3.42Å
379	G	95.6	Very high	93.7	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	24%	0.243	C	C	.	.			trans	-79.8	122.6	173.8	0	0	0	0	0	111.9	P368 K387	P368-G379 PolarHBondContact O-N 3.49Å; G379-K387 PolarHBondContact O-N 2.95Å; G379-K387 VanDerWaalsContact O-N 3.11Å
380	V	96.1	Very high	93.6	Very high	3 Å²	3	46 Å²	46	2%	0.018	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-128.8	162.9	-179.3	-54	0	0	0	0	112.4	Y384 E385 L394 R402	V380-Y384 HydrophobicContact CG2-CD1 4.14Å; V380-E385 CarbonylContact C-O 3.57Å; V380-E385 VanDerWaalsContact CA-O 3.29Å; V380-E385 WeakPolarHBondContact CA-O 3.46Å; V380-E385 WeakPolarHBondContact CB-O 3.02Å; V380-L394 HydrophobicContact CG1-CB 3.91Å; V380-L394 HydrophobicContact CG1-CD2 3.68Å; V380-L394 HydrophobicContact CG1-CG 3.64Å; V380-R402 HydrophobicContact CG2-CG 3.35Å
381	T	96.4	Very high	93.7	Very high	30 Å²	30	45.5 Å²	45.5	18%	0.184	23%	0.231	C	C	.	.			trans	-75	177.3	175.9	68.6	0	0	0	0	111.4	W383 Y384 E385 R402	T381-W383 HydrophobicContact CG2-CZ2 4.03Å; T381-W383 PolarHBondContact O-N 2.99Å; T381-W383 VanDerWaalsContact O-N 3.16Å; T381-W383 VanDerWaalsContact OG1-CE2 3.26Å; T381-W383 PolarHBondContact OG1-N 3.07Å; T381-W383 PolarHBondContact OG1-NE1 3.3Å; T381-Y384 PolarHBondContact O-N 2.74Å; T381-Y384 VanDerWaalsContact O-N 3.12Å; T381-E385 HydrophobicContact CG2-CB 4.38Å; T381-E385 WeakPolarHBondContact CG2-O 3.48Å; T381-E385 PolarHBondContact N-O 2.71Å; T381-E385 PolarHBondContact OG1-N 3.2Å; T381-E385 PolarHBondContact OG1-O 2.95Å; T381-R402 WeakPolarHBondContact O-CD 3.49Å; T381-R402 PolarHBondContact O-NE 2.85Å
382	A	96.1	Very high	94.1	Very high	19 Å²	19	36.7 Å²	36.7	16%	0.157	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.2	175.3	0	0	0	0	0	114.5	Q486 A487	A382-Q486 HydrophobicContact CB-CB 4.01Å; A382-Q486 WeakPolarHBondContact CB-O 3.26Å; A382-A487 HydrophobicContact CB-CB 3.71Å
383	W	97	Very high	94.6	Very high	51 Å²	51	33.7 Å²	33.7	19%	0.193	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	25.9	174.5	56.8	85.7	0	0	0	112.7	T381 E385 V425 L484 A487 R490 L494	T381-W383 HydrophobicContact CG2-CZ2 4.03Å; T381-W383 PolarHBondContact O-N 2.99Å; T381-W383 VanDerWaalsContact O-N 3.16Å; T381-W383 VanDerWaalsContact OG1-CE2 3.26Å; T381-W383 PolarHBondContact OG1-N 3.07Å; T381-W383 PolarHBondContact OG1-NE1 3.3Å; W383-E385 PolarHBondContact NE1-OE2 2.79Å; W383-E385 PolarHBondContact O-N 2.84Å; W383-E385 VanDerWaalsContact O-N 3.11Å; W383-V425 HydrophobicContact CB-CG2 4.25Å; W383-L484 HydrophobicContact CB-CD1 3.95Å; W383-A487 HydrophobicContact CE3-CB 4.19Å; W383-R490 HydrophobicContact CZ3-CB 4.47Å; W383-R490 HydrophobicContact CZ3-CG 4.06Å; W383-L494 HydrophobicContact CB-CD1 4.23Å; W383-L494 HydrophobicContact CD2-CD1 4.17Å; W383-L494 HydrophobicContact CD2-CD2 4.22Å; W383-L494 HydrophobicContact CE3-CD1 3.8Å; W383-L494 HydrophobicContact CG-CD1 4.38Å; W383-L494 HydrophobicContact CG-CD2 4.19Å
384	Y	97.8	Very high	95.1	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.016	17%	0.171	C	C	.	.	S	Bend	trans	62.4	15.3	172.4	-53.7	-78.7	0	0	0	116.2	V380 T381 F393 L394 R402 T418 V422 L484	V380-Y384 HydrophobicContact CG2-CD1 4.14Å; T381-Y384 PolarHBondContact O-N 2.74Å; T381-Y384 VanDerWaalsContact O-N 3.12Å; Y384-F393 WeakPolarHBondContact O-CA 3.46Å; Y384-L394 PolarHBondContact O-N 2.99Å; Y384-R402 HydrophobicContact CD1-CB 4.48Å; Y384-R402 HydrophobicContact CD1-CG 3.83Å; Y384-R402 HydrophobicContact CE1-CB 3.78Å; Y384-R402 HydrophobicContact CE1-CG 3.64Å; Y384-T418 HydrophobicContact CE2-CG2 4.13Å; Y384-T418 VanDerWaalsContact OH-CG2 3.3Å; Y384-T418 WeakPolarHBondContact OH-CG2 3.39Å; Y384-V422 HydrophobicContact CD2-CG2 3.62Å; Y384-V422 HydrophobicContact CG-CG2 4.03Å; Y384-L484 HydrophobicContact CD2-CD2 4.16Å; Y384-L484 HydrophobicContact CE2-CD2 3.45Å; Y384-L484 VanDerWaalsContact CE2-CD2 3.45Å
385	E	97.7	Very high	95.7	Very high	14 Å²	14	24.7 Å²	24.7	7%	0.065	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-76.5	140.9	167.1	-167.8	168.5	-160.6	0	0	109.1	V380 T381 W383 P390 G391 L392 F393 R429	V380-E385 CarbonylContact C-O 3.57Å; V380-E385 VanDerWaalsContact CA-O 3.29Å; V380-E385 WeakPolarHBondContact CA-O 3.46Å; V380-E385 WeakPolarHBondContact CB-O 3.02Å; T381-E385 HydrophobicContact CG2-CB 4.38Å; T381-E385 WeakPolarHBondContact CG2-O 3.48Å; T381-E385 PolarHBondContact N-O 2.71Å; T381-E385 PolarHBondContact OG1-N 3.2Å; T381-E385 PolarHBondContact OG1-O 2.95Å; W383-E385 PolarHBondContact NE1-OE2 2.79Å; W383-E385 PolarHBondContact O-N 2.84Å; W383-E385 VanDerWaalsContact O-N 3.11Å; E385-P390 VanDerWaalsContact OE1-CA 3.25Å; E385-P390 WeakPolarHBondContact OE1-CA 3.34Å; E385-G391 PolarHBondContact OE1-N 3.48Å; E385-L392 CarbonylContact C-O 3.6Å; E385-L392 WeakPolarHBondContact CA-O 3.1Å; E385-F393 HydrophobicContact CB-CD1 3.92Å; E385-F393 HydrophobicContact CB-CE1 3.71Å; E385-F393 HydrophobicContact CB-CG 4.45Å; E385-F393 HydrophobicContact CB-CZ 4.03Å; E385-F393 HydrophobicContact CG-CD1 4.47Å; E385-F393 HydrophobicContact CG-CD2 4.47Å; E385-F393 HydrophobicContact CG-CE1 4.18Å; E385-F393 HydrophobicContact CG-CE2 4.12Å; E385-F393 HydrophobicContact CG-CZ 3.98Å; E385-R429 VanDerWaalsContact CD-NH1 3.3Å; E385-R429 IonicContact OE1-NH1 3.23Å; E385-R429 PolarHBondContact OE1-NH1 3.43Å; E385-R429 IonicContact OE2-CZ 3.65Å; E385-R429 IonicContact OE2-NH1 2.78Å; E385-R429 PolarHBondContact OE2-NH1 3.33Å; E385-R429 IonicContact OE2-NH2 3.67Å
386	G	96.2	Very high	96	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.031	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-61.5	136.8	178.2	0	0	0	0	0	111.8	N388 T389 L392	G386-N388 PolarHBondContact O-N 2.92Å; G386-T389 VanDerWaalsContact C-OG1 3.31Å; G386-T389 VanDerWaalsContact CA-OG1 3.28Å; G386-T389 WeakPolarHBondContact CA-OG1 3.37Å; G386-T389 PolarHBondContact O-N 3.46Å; G386-T389 PolarHBondContact O-OG1 3.43Å; G386-L392 PolarHBondContact N-O 2.99Å
387	K	93.1	Very high	96.1	Very high	87 Å²	87	23.1 Å²	23.1	38%	0.378	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	128.4	175.3	-73.1	-176.4	178.2	-175.9	0	109.1	P368 G379 T389	P368-K387 WeakPolarHBondContact CD-O 3.36Å; P368-K387 HydrophobicContact CG-CB 3.82Å; G379-K387 PolarHBondContact O-N 2.95Å; G379-K387 VanDerWaalsContact O-N 3.11Å; K387-T389 PolarHBondContact O-N 3.35Å
388	N	90.1	Very high	96.1	Very high	157 Å²	157	22.9 Å²	22.9	84%	0.84	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	12.1	-178.9	-51.9	-30.1	0	0	0	115.6	G386	G386-N388 PolarHBondContact O-N 2.92Å
389	T	93.8	Very high	96	Very high	5 Å²	5	23 Å²	23	3%	0.031	13%	0.125	C	C	.	.			trans	-130.7	73.1	179.1	57.2	0	0	0	0	109.9	L367 G386 K387 L392	L367-T389 HydrophobicContact CD2-CG2 4.2Å; L367-T389 VanDerWaalsContact CD2-OG1 3.28Å; L367-T389 WeakPolarHBondContact CD2-OG1 3.44Å; G386-T389 VanDerWaalsContact C-OG1 3.31Å; G386-T389 VanDerWaalsContact CA-OG1 3.28Å; G386-T389 WeakPolarHBondContact CA-OG1 3.37Å; G386-T389 PolarHBondContact O-N 3.46Å; G386-T389 PolarHBondContact O-OG1 3.43Å; K387-T389 PolarHBondContact O-N 3.35Å; T389-L392 WeakPolarHBondContact O-CB 3.43Å; T389-L392 PolarHBondContact O-N 3.49Å
390	P	93.8	Very high	96	Very high	55 Å²	55	23.2 Å²	23.2	36%	0.357	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	144.3	-171.2	11.4	-0.1	0	0	0	111	R159 Y161 E385 L392	R159-P390 PolarHBondContact NE-O 3.02Å; R159-P390 VanDerWaalsContact NH1-CG 3.28Å; R159-P390 PolarHBondContact NH2-O 3.04Å; Y161-P390 PolarHBondContact OH-O 3.04Å; E385-P390 VanDerWaalsContact OE1-CA 3.25Å; E385-P390 WeakPolarHBondContact OE1-CA 3.34Å; P390-L392 VanDerWaalsContact C-N 3.27Å
391	G	95.6	Very high	95.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	0	-169.3	0	0	0	0	0	114.7	R159 I175 L176 E385	R159-G391 VanDerWaalsContact NH2-N 3.16Å; I175-G391 CarbonylContact C-O 3.49Å; I175-G391 WeakPolarHBondContact CA-O 3.37Å; L176-G391 PolarHBondContact N-O 3.31Å; E385-G391 PolarHBondContact OE1-N 3.48Å
392	L	97.9	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.2	170.6	-168.5	172.4	0	0	0	108.5	Y161 L176 V178 F361 L367 E385 G386 T389 P390 L394	Y161-L392 HydrophobicContact CE1-CB 4.15Å; Y161-L392 HydrophobicContact CE1-CD1 4.04Å; Y161-L392 HydrophobicContact CE2-CB 4.31Å; L176-L392 HydrophobicContact CB-CG 4.37Å; L176-L392 HydrophobicContact CD2-CD1 4.18Å; L176-L392 HydrophobicContact CD2-CG 4.08Å; L176-L392 HydrophobicContact CG-CG 4.26Å; L176-L392 CarbonylContact O-C 3.55Å; L176-L392 VanDerWaalsContact O-CA 3.32Å; L176-L392 WeakPolarHBondContact O-CA 3.45Å; V178-L392 HydrophobicContact CG2-CD2 3.83Å; V178-L392 HydrophobicContact CG2-CG 4.26Å; F361-L392 HydrophobicContact CD1-CD1 4.29Å; F361-L392 HydrophobicContact CE1-CD1 3.87Å; L367-L392 HydrophobicContact CD1-CD1 4.47Å; L367-L392 HydrophobicContact CD1-CD2 4.03Å; L367-L392 HydrophobicContact CD2-CD1 4.42Å; L367-L392 HydrophobicContact CD2-CD2 4.1Å; L367-L392 HydrophobicContact CG-CD1 4.38Å; L367-L392 HydrophobicContact CG-CD2 4.45Å; E385-L392 CarbonylContact C-O 3.6Å; E385-L392 WeakPolarHBondContact CA-O 3.1Å; G386-L392 PolarHBondContact N-O 2.99Å; T389-L392 WeakPolarHBondContact O-CB 3.43Å; T389-L392 PolarHBondContact O-N 3.49Å; P390-L392 VanDerWaalsContact C-N 3.27Å; L392-L394 HydrophobicContact CD2-CD2 3.46Å; L392-L394 VanDerWaalsContact CD2-CD2 3.46Å
393	F	98.5	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.1	177.5	-65.1	-107.7	0	0	0	110.9	I175 L176 L177 V178 Y384 E385 V422 L426	I175-F393 HydrophobicContact CG2-CD2 4.11Å; I175-F393 HydrophobicContact CG2-CE2 4.28Å; L176-F393 PolarHBondContact O-N 2.76Å; L177-F393 HydrophobicContact CD2-CB 3.74Å; L177-F393 HydrophobicContact CD2-CD2 4.05Å; L177-F393 HydrophobicContact CD2-CG 4.14Å; V178-F393 PolarHBondContact N-O 3.12Å; Y384-F393 WeakPolarHBondContact O-CA 3.46Å; E385-F393 HydrophobicContact CB-CD1 3.92Å; E385-F393 HydrophobicContact CB-CE1 3.71Å; E385-F393 HydrophobicContact CB-CG 4.45Å; E385-F393 HydrophobicContact CB-CZ 4.03Å; E385-F393 HydrophobicContact CG-CD1 4.47Å; E385-F393 HydrophobicContact CG-CD2 4.47Å; E385-F393 HydrophobicContact CG-CE1 4.18Å; E385-F393 HydrophobicContact CG-CE2 4.12Å; E385-F393 HydrophobicContact CG-CZ 3.98Å; F393-V422 HydrophobicContact CB-CG1 4.27Å; F393-V422 HydrophobicContact CD1-CG1 3.69Å; F393-V422 HydrophobicContact CE1-CG1 4.3Å; F393-V422 HydrophobicContact CG-CG1 4.16Å; F393-L426 HydrophobicContact CD2-CD2 4.17Å; F393-L426 HydrophobicContact CE1-CD2 4.32Å; F393-L426 HydrophobicContact CE2-CD2 3.57Å; F393-L426 HydrophobicContact CZ-CD2 3.64Å
394	L	98.2	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139	176.3	-71.9	-71.8	0	0	0	108.4	V178 F356 L367 P378 V380 Y384 L392 A398 S399	V178-L394 HydrophobicContact CB-CD1 3.99Å; V178-L394 HydrophobicContact CG1-CD1 4.07Å; F356-L394 HydrophobicContact CE2-CD1 3.98Å; F356-L394 HydrophobicContact CZ-CD1 3.95Å; L367-L394 HydrophobicContact CD1-CD1 4.01Å; L367-L394 HydrophobicContact CD1-CD2 3.83Å; L367-L394 HydrophobicContact CD1-CG 4.38Å; L367-L394 HydrophobicContact CD2-CD2 4.04Å; P378-L394 HydrophobicContact CB-CD1 4.29Å; P378-L394 HydrophobicContact CB-CG 4.31Å; P378-L394 HydrophobicContact CG-CD1 3.62Å; P378-L394 HydrophobicContact CG-CG 3.77Å; V380-L394 HydrophobicContact CG1-CB 3.91Å; V380-L394 HydrophobicContact CG1-CD2 3.68Å; V380-L394 HydrophobicContact CG1-CG 3.64Å; Y384-L394 PolarHBondContact O-N 2.99Å; L392-L394 HydrophobicContact CD2-CD2 3.46Å; L392-L394 VanDerWaalsContact CD2-CD2 3.46Å; L394-A398 HydrophobicContact CD1-CB 4.2Å; L394-S399 WeakPolarHBondContact O-CB 3.5Å
395	L	98.4	Very high	95.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.139	C	C	.	.			trans	-128.4	156.1	-178.9	-54.3	175.8	0	0	0	111.2	A42 M46 L177 V178 A179 V422	A42-L395 HydrophobicContact CB-CB 4.22Å; M46-L395 HydrophobicContact CB-CD1 3.71Å; M46-L395 HydrophobicContact CE-CD1 3.8Å; M46-L395 HydrophobicContact CE-CD2 3.73Å; M46-L395 HydrophobicContact CE-CG 4.46Å; M46-L395 HydrophobicContact CG-CD1 3.78Å; L177-L395 HydrophobicContact CB-CD1 3.92Å; V178-L395 PolarHBondContact O-N 2.72Å; A179-L395 HydrophobicContact CB-CB 4.19Å; L395-V422 HydrophobicContact CD2-CB 4.06Å; L395-V422 HydrophobicContact CD2-CG1 3.96Å; L395-V422 HydrophobicContact CD2-CG2 4.08Å
396	G	97.4	Very high	95.1	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.021	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	69.2	-146.5	175.1	0	0	0	0	0	113.4	A42 A398 S399	A42-G396 VanDerWaalsContact CB-CA 3.42Å; G396-A398 PolarHBondContact O-N 3.23Å; G396-A398 VanDerWaalsContact O-N 3.1Å; G396-S399 PolarHBondContact N-OG 3.27Å; G396-S399 PolarHBondContact O-N 3.25Å; G396-S399 PolarHBondContact O-OG 3.4Å
397	T	96.3	Very high	95.1	Very high	47 Å²	47	30.1 Å²	30.1	29%	0.288	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-59.4	-25.4	-179.5	-48	0	0	0	0	113.2	L182 S399 H400 G410	L182-T397 HydrophobicContact CD1-CG2 3.85Å; L182-T397 HydrophobicContact CG-CG2 3.98Å; T397-S399 VanDerWaalsContact C-N 3.32Å; T397-S399 PolarHBondContact O-N 3.43Å; T397-H400 WeakPolarHBondContact O-CB 3.27Å; T397-H400 PolarHBondContact O-N 2.95Å; T397-G410 PolarHBondContact OG1-O 2.68Å
398	A	95.4	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-69.6	-27.8	177.2	0	0	0	0	0	112.9	F356 P378 L394 G396 H400	F356-A398 HydrophobicContact CD2-CB 3.81Å; F356-A398 HydrophobicContact CE2-CB 3.87Å; P378-A398 VanDerWaalsContact CD-O 3.25Å; P378-A398 WeakPolarHBondContact CD-O 3.13Å; P378-A398 VanDerWaalsContact CG-O 3.27Å; P378-A398 WeakPolarHBondContact CG-O 3.15Å; L394-A398 HydrophobicContact CD1-CB 4.2Å; G396-A398 PolarHBondContact O-N 3.23Å; G396-A398 VanDerWaalsContact O-N 3.1Å; A398-H400 VanDerWaalsContact C-N 3.28Å; A398-H400 PolarHBondContact O-N 3.05Å
399	S	95.1	Very high	95.5	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-81.7	-3	175.6	41	0	0	0	0	114.7	L394 G396 T397 S401 R402	L394-S399 WeakPolarHBondContact O-CB 3.5Å; G396-S399 PolarHBondContact N-OG 3.27Å; G396-S399 PolarHBondContact O-N 3.25Å; G396-S399 PolarHBondContact O-OG 3.4Å; T397-S399 VanDerWaalsContact C-N 3.32Å; T397-S399 PolarHBondContact O-N 3.43Å; S399-S401 PolarHBondContact O-N 3.45Å; S399-R402 PolarHBondContact O-N 2.9Å
400	H	95.3	Very high	95.6	Very high	7 Å²	7	18.9 Å²	18.9	3%	0.032	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-63.6	-4.8	-173.7	-165.7	38.6	0	0	0	114.4	Y253 L377 T397 A398 R402 D403 Y404 G410	Y253-H400 AromaticContact CE2-CE1 3.76Å; Y253-H400 AromaticContact CE2-NE2 3.45Å; Y253-H400 WeakPolarHBondContact CE2-NE2 3.47Å; Y253-H400 AromaticContact CZ-NE2 3.53Å; Y253-H400 PolarHBondContact OH-NE2 3.11Å; L377-H400 HydrophobicContact CD1-CB 4.24Å; T397-H400 WeakPolarHBondContact O-CB 3.27Å; T397-H400 PolarHBondContact O-N 2.95Å; A398-H400 VanDerWaalsContact C-N 3.28Å; A398-H400 PolarHBondContact O-N 3.05Å; H400-R402 PolarHBondContact O-N 2.99Å; H400-R402 VanDerWaalsContact O-N 3.15Å; H400-D403 PolarHBondContact CE1-O 3.23Å; H400-D403 IonicContact CE1-OD1 3.44Å; H400-D403 IonicContact CE1-OD2 2.6Å; H400-D403 IonicContact ND1-OD1 2.85Å; H400-D403 PolarHBondContact ND1-OD1 3.02Å; H400-D403 IonicContact ND1-OD2 3.79Å; H400-D403 PolarHBondContact O-N 2.86Å; H400-Y404 AromaticContact CD2-CD2 3.85Å; H400-Y404 WeakPolarHBondContact O-CA 3.26Å; H400-Y404 WeakPolarHBondContact O-CB 3.27Å; H400-Y404 PolarHBondContact O-N 3.39Å; H400-G410 PolarHBondContact CE1-N 3.27Å; H400-G410 VanDerWaalsContact CE1-N 3.27Å; H400-G410 VanDerWaalsContact CG-CA 3.4Å; H400-G410 WeakPolarHBondContact ND1-CA 3.4Å; H400-G410 PolarHBondContact ND1-N 3.21Å
401	S	94.7	Very high	95.7	Very high	7 Å²	7	18.4 Å²	18.4	5%	0.049	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-63.5	-15.9	173.6	61.3	0	0	0	0	112.7	N372 P378 S399	N372-S401 PolarHBondContact ND2-O 2.73Å; P378-S401 VanDerWaalsContact O-CB 3.27Å; P378-S401 WeakPolarHBondContact O-CB 3.41Å; P378-S401 PolarHBondContact O-OG 3.42Å; S399-S401 PolarHBondContact O-N 3.45Å
402	R	92.8	Very high	95.8	Very high	60 Å²	60	19.1 Å²	19.1	23%	0.226	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-79.3	-25.6	177.6	-64	-57.3	-64.8	134.4	-1.7	114.1	V380 T381 Y384 S399 H400 Q486	V380-R402 HydrophobicContact CG2-CG 3.35Å; T381-R402 WeakPolarHBondContact O-CD 3.49Å; T381-R402 PolarHBondContact O-NE 2.85Å; Y384-R402 HydrophobicContact CD1-CB 4.48Å; Y384-R402 HydrophobicContact CD1-CG 3.83Å; Y384-R402 HydrophobicContact CE1-CB 3.78Å; Y384-R402 HydrophobicContact CE1-CG 3.64Å; S399-R402 PolarHBondContact O-N 2.9Å; H400-R402 PolarHBondContact O-N 2.99Å; H400-R402 VanDerWaalsContact O-N 3.15Å; R402-Q486 VanDerWaalsContact CZ-OE1 3.31Å; R402-Q486 PolarHBondContact O-NE2 3.41Å; R402-Q486 VanDerWaalsContact O-NE2 3.17Å
403	D	94.4	Very high	95.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.7	23.1	-172.5	67.9	-51.1	0	0	0	113.3	H400 R405 S406 S407 A408 G409	H400-D403 PolarHBondContact CE1-O 3.23Å; H400-D403 IonicContact CE1-OD1 3.44Å; H400-D403 IonicContact CE1-OD2 2.6Å; H400-D403 IonicContact ND1-OD1 2.85Å; H400-D403 PolarHBondContact ND1-OD1 3.02Å; H400-D403 IonicContact ND1-OD2 3.79Å; H400-D403 PolarHBondContact O-N 2.86Å; D403-R405 PolarHBondContact O-N 2.81Å; D403-R405 VanDerWaalsContact O-N 3.16Å; D403-S406 WeakPolarHBondContact CA-OG 3.41Å; D403-S406 PolarHBondContact O-N 2.98Å; D403-S406 PolarHBondContact O-OG 3.5Å; D403-S406 VanDerWaalsContact O-OG 3.05Å; D403-S407 PolarHBondContact O-N 2.93Å; D403-S407 VanDerWaalsContact OD2-C 3.3Å; D403-S407 WeakPolarHBondContact OD2-CB 3.04Å; D403-A408 PolarHBondContact OD2-N 3.22Å; D403-G409 WeakPolarHBondContact OD2-CA 3.05Å; D403-G409 PolarHBondContact OD2-N 2.94Å
404	Y	95.3	Very high	95.7	Very high	52 Å²	52	19.3 Å²	19.3	20%	0.204	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	119.4	175.5	-178.8	-105.7	0	0	0	111	A373 R376 L377 H400 S406	A373-Y404 HydrophobicContact CB-CD1 3.85Å; A373-Y404 HydrophobicContact CB-CD2 4.05Å; A373-Y404 HydrophobicContact CB-CE1 3.91Å; A373-Y404 HydrophobicContact CB-CE2 4.14Å; A373-Y404 HydrophobicContact CB-CG 3.92Å; R376-Y404 PolarHBondContact NH2-OH 2.78Å; L377-Y404 HydrophobicContact CD1-CD2 4.17Å; H400-Y404 AromaticContact CD2-CD2 3.85Å; H400-Y404 WeakPolarHBondContact O-CA 3.26Å; H400-Y404 WeakPolarHBondContact O-CB 3.27Å; H400-Y404 PolarHBondContact O-N 3.39Å; Y404-S406 PolarHBondContact O-N 3.21Å
405	R	93.3	Very high	95.7	Very high	100 Å²	100	19.7 Å²	19.7	38%	0.377	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	20.3	-175.2	-67.2	-178.1	163	177	-1.1	114.8	Y253 D256 D403	Y253-R405 HydrophobicContact CD1-CB 4.32Å; Y253-R405 HydrophobicContact CD1-CG 3.93Å; Y253-R405 HydrophobicContact CE1-CB 4.33Å; Y253-R405 HydrophobicContact CE1-CG 3.65Å; D256-R405 IonicContact OD1-NE 3.59Å; D403-R405 PolarHBondContact O-N 2.81Å; D403-R405 VanDerWaalsContact O-N 3.16Å
406	S	92.1	Very high	95.7	Very high	49 Å²	49	19.6 Å²	19.6	34%	0.343	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-28.4	174.5	66.3	0	0	0	0	114.1	D403 Y404 F463	D403-S406 WeakPolarHBondContact CA-OG 3.41Å; D403-S406 PolarHBondContact O-N 2.98Å; D403-S406 PolarHBondContact O-OG 3.5Å; D403-S406 VanDerWaalsContact O-OG 3.05Å; Y404-S406 PolarHBondContact O-N 3.21Å; S406-F463 WeakPolarHBondContact O-CE2 3.36Å; S406-F463 VanDerWaalsContact O-CZ 3.26Å; S406-F463 WeakPolarHBondContact O-CZ 3.47Å
407	S	95.3	Very high	95.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	10%	0.096	C	C	.	.	S	Bend	trans	-151.3	-168.5	178.1	-157.2	0	0	0	0	112	Y253 D403 M462 F463 T465	Y253-S407 VanDerWaalsContact CD2-O 3.32Å; Y253-S407 WeakPolarHBondContact CD2-O 3.37Å; Y253-S407 VanDerWaalsContact CE2-O 3.3Å; Y253-S407 WeakPolarHBondContact CE2-O 3.15Å; D403-S407 PolarHBondContact O-N 2.93Å; D403-S407 VanDerWaalsContact OD2-C 3.3Å; D403-S407 WeakPolarHBondContact OD2-CB 3.04Å; S407-M462 WeakPolarHBondContact OG-CA 3.49Å; S407-F463 WeakPolarHBondContact CB-O 2.82Å; S407-F463 PolarHBondContact OG-N 2.92Å; S407-F463 PolarHBondContact OG-O 2.79Å; S407-T465 WeakPolarHBondContact CB-OG1 3.23Å
408	A	95.9	Very high	95.9	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.033	8%	0.083	C	C	.	.	S	Bend	trans	-96.4	10.8	-169.1	0	0	0	0	0	116	D403 G410 F411 G414 Q461 M462	D403-A408 PolarHBondContact OD2-N 3.22Å; A408-G410 PolarHBondContact O-N 2.67Å; A408-F411 HydrophobicContact CB-CD2 4.35Å; A408-F411 WeakPolarHBondContact O-CD2 3.49Å; A408-F411 PolarHBondContact O-N 3.47Å; A408-G414 WeakPolarHBondContact O-CA 3.41Å; A408-Q461 VanDerWaalsContact CB-O 3.24Å; A408-Q461 WeakPolarHBondContact CB-O 3.28Å; A408-M462 HydrophobicContact CB-SD 4.37Å
409	G	95.8	Very high	96	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.021	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.4	-177.1	0	0	0	0	0	115.1	D403 F411 F415 M462	D403-G409 WeakPolarHBondContact OD2-CA 3.05Å; D403-G409 PolarHBondContact OD2-N 2.94Å; G409-F411 VanDerWaalsContact C-N 3.32Å; G409-F415 WeakPolarHBondContact O-CB 3.24Å; G409-M462 PolarHBondContact N-SD 3.22Å; G409-M462 VanDerWaalsContact N-SD 3.42Å
410	G	95.4	Very high	96.2	Very high	6 Å²	6	19.9 Å²	19.9	6%	0.062	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.2	171.8	0	0	0	0	0	113.8	T397 H400 A408	T397-G410 PolarHBondContact OG1-O 2.68Å; H400-G410 PolarHBondContact CE1-N 3.27Å; H400-G410 VanDerWaalsContact CE1-N 3.27Å; H400-G410 VanDerWaalsContact CG-CA 3.4Å; H400-G410 WeakPolarHBondContact ND1-CA 3.4Å; H400-G410 PolarHBondContact ND1-N 3.21Å; A408-G410 PolarHBondContact O-N 2.67Å
411	F	96.7	Very high	96.3	Very high	45 Å²	45	19.6 Å²	19.6	20%	0.197	9%	0.091	C	C	.	.	S	Bend	trans	-125	154.6	-168.2	-44.5	-77.5	0	0	0	111.2	Y253 V254 A408 G409 H413 G414 F415	Y253-F411 HydrophobicContact CD2-CE2 4.5Å; Y253-F411 AromaticContact CE2-CE2 3.91Å; Y253-F411 HydrophobicContact CE2-CE2 3.91Å; Y253-F411 HydrophobicContact CE2-CZ 4.31Å; V254-F411 HydrophobicContact CB-CD2 3.89Å; V254-F411 HydrophobicContact CB-CE1 4.4Å; V254-F411 HydrophobicContact CB-CE2 3.78Å; V254-F411 HydrophobicContact CB-CG 4.31Å; V254-F411 HydrophobicContact CB-CZ 4.08Å; V254-F411 HydrophobicContact CG1-CD1 4.11Å; V254-F411 HydrophobicContact CG1-CD2 4.29Å; V254-F411 HydrophobicContact CG1-CE1 4.18Å; V254-F411 HydrophobicContact CG1-CE2 4.39Å; V254-F411 HydrophobicContact CG1-CG 4.2Å; V254-F411 HydrophobicContact CG1-CZ 4.36Å; A408-F411 HydrophobicContact CB-CD2 4.35Å; A408-F411 WeakPolarHBondContact O-CD2 3.49Å; A408-F411 PolarHBondContact O-N 3.47Å; G409-F411 VanDerWaalsContact C-N 3.32Å; F411-H413 VanDerWaalsContact C-N 3.3Å; F411-H413 WeakPolarHBondContact CB-CE1 3.45Å; F411-H413 AromaticContact CG-CE1 4Å; F411-H413 PolarHBondContact O-N 3.35Å; F411-G414 PolarHBondContact O-N 3.16Å; F411-F415 WeakPolarHBondContact O-CD1 3.5Å; F411-F415 WeakPolarHBondContact O-CG 3.45Å; F411-F415 PolarHBondContact O-N 2.89Å
412	V	97.9	Very high	96.5	Very high	16 Å²	16	19.3 Å²	19.3	10%	0.097	9%	0.089	C	C	.	.	H	α-helix	trans	-53.8	-45.8	-171.7	177.4	0	0	0	0	112.5	P41 N101 L103 F126 G414 F415 R416	P41-V412 HydrophobicContact CB-CG2 4.2Å; P41-V412 HydrophobicContact CG-CG2 4.3Å; N101-V412 WeakPolarHBondContact O-CG1 3.2Å; L103-V412 HydrophobicContact CD2-CG1 3.83Å; F126-V412 HydrophobicContact CE1-CG2 3.99Å; F126-V412 HydrophobicContact CZ-CG1 4.34Å; F126-V412 HydrophobicContact CZ-CG2 3.75Å; V412-G414 PolarHBondContact O-N 3.27Å; V412-F415 VanDerWaalsContact CA-CZ 3.46Å; V412-F415 HydrophobicContact CB-CE1 4.44Å; V412-F415 HydrophobicContact CB-CE2 4.35Å; V412-F415 HydrophobicContact CB-CZ 4Å; V412-F415 HydrophobicContact CG1-CE2 4.45Å; V412-F415 HydrophobicContact CG2-CE1 4.09Å; V412-F415 HydrophobicContact CG2-CE2 4.27Å; V412-F415 HydrophobicContact CG2-CZ 3.55Å; V412-R416 VanDerWaalsContact O-CB 3.3Å; V412-R416 WeakPolarHBondContact O-CB 3.38Å; V412-R416 VanDerWaalsContact O-CG 3.29Å; V412-R416 WeakPolarHBondContact O-CG 3.38Å; V412-R416 PolarHBondContact O-N 3.22Å
413	H	97.5	Very high	96.8	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-66	-20.5	179.1	58.9	-90.7	0	0	0	115.2	W100 F411 Y417 Q461	W100-H413 HydrophobicContact CB-CB 4.02Å; W100-H413 WeakPolarHBondContact CB-ND1 3.29Å; W100-H413 AromaticContact CD2-CE1 3.69Å; W100-H413 AromaticContact CD2-ND1 3.73Å; W100-H413 AromaticContact CE3-CE1 3.5Å; W100-H413 AromaticContact CE3-ND1 3.88Å; W100-H413 HydrophobicContact CG-CB 4.13Å; W100-H413 AromaticContact CG-CG 3.8Å; W100-H413 AromaticContact CG-ND1 3.55Å; F411-H413 VanDerWaalsContact C-N 3.3Å; F411-H413 WeakPolarHBondContact CB-CE1 3.45Å; F411-H413 AromaticContact CG-CE1 4Å; F411-H413 PolarHBondContact O-N 3.35Å; H413-Y417 WeakPolarHBondContact O-CD2 3.47Å; H413-Y417 WeakPolarHBondContact O-CE2 3.43Å; H413-Q461 HydrophobicContact CB-CG 4.45Å; H413-Q461 PolarHBondContact CD2-OE1 3.4Å; H413-Q461 WeakPolarHBondContact O-CB 3.44Å
414	G	97.4	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-91.3	-57.9	170.3	0	0	0	0	0	111.2	A408 F411 V412 R416 Y417 M462	A408-G414 WeakPolarHBondContact O-CA 3.41Å; F411-G414 PolarHBondContact O-N 3.16Å; V412-G414 PolarHBondContact O-N 3.27Å; G414-R416 PolarHBondContact O-N 3.45Å; G414-R416 VanDerWaalsContact O-N 3.11Å; G414-Y417 PolarHBondContact O-N 2.95Å; G414-M462 WeakPolarHBondContact CA-SD 3.44Å; G414-M462 WeakPolarHBondContact O-CG 3.39Å
415	F	97.8	Very high	97.2	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.035	8%	0.078	C	C	.	.	H	α-helix	trans	-67.2	-20.4	-169.6	64.3	-121.1	0	0	0	114.4	P41 A42 G409 F411 V412 Y417 T418 A419	P41-F415 HydrophobicContact CB-CE2 4.03Å; P41-F415 HydrophobicContact CB-CZ 3.97Å; A42-F415 HydrophobicContact CB-CD2 4.04Å; A42-F415 HydrophobicContact CB-CE2 3.84Å; A42-F415 HydrophobicContact CB-CZ 4.4Å; G409-F415 WeakPolarHBondContact O-CB 3.24Å; F411-F415 WeakPolarHBondContact O-CD1 3.5Å; F411-F415 WeakPolarHBondContact O-CG 3.45Å; F411-F415 PolarHBondContact O-N 2.89Å; V412-F415 VanDerWaalsContact CA-CZ 3.46Å; V412-F415 HydrophobicContact CB-CE1 4.44Å; V412-F415 HydrophobicContact CB-CE2 4.35Å; V412-F415 HydrophobicContact CB-CZ 4Å; V412-F415 HydrophobicContact CG1-CE2 4.45Å; V412-F415 HydrophobicContact CG2-CE1 4.09Å; V412-F415 HydrophobicContact CG2-CE2 4.27Å; V412-F415 HydrophobicContact CG2-CZ 3.55Å; F415-Y417 PolarHBondContact O-N 3.03Å; F415-T418 WeakPolarHBondContact CA-OG1 3.32Å; F415-T418 PolarHBondContact O-N 3.34Å; F415-T418 VanDerWaalsContact O-N 3.09Å; F415-T418 PolarHBondContact O-OG1 3.01Å; F415-A419 WeakPolarHBondContact O-CB 3.41Å; F415-A419 PolarHBondContact O-N 2.97Å
416	R	98.2	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-57.4	-32.1	173.5	70.4	-174.9	-175.1	-152.7	-10.5	112.1	Q45 L96 D99 S102 L104 V412 G414 R420	Q45-R416 HydrophobicContact CG-CB 4.36Å; L96-R416 PolarHBondContact O-NH2 3.46Å; D99-R416 PolarHBondContact O-NH1 2.96Å; D99-R416 PolarHBondContact O-NH2 2.84Å; S102-R416 WeakPolarHBondContact O-CD 3.37Å; S102-R416 PolarHBondContact O-NH1 3.25Å; L104-R416 HydrophobicContact CD1-CB 4.44Å; L104-R416 HydrophobicContact CD1-CG 4.27Å; L104-R416 HydrophobicContact CD2-CG 4.41Å; L104-R416 HydrophobicContact CG-CB 4.24Å; L104-R416 HydrophobicContact CG-CG 4.07Å; V412-R416 VanDerWaalsContact O-CB 3.3Å; V412-R416 WeakPolarHBondContact O-CB 3.38Å; V412-R416 VanDerWaalsContact O-CG 3.29Å; V412-R416 WeakPolarHBondContact O-CG 3.38Å; V412-R416 PolarHBondContact O-N 3.22Å; G414-R416 PolarHBondContact O-N 3.45Å; G414-R416 VanDerWaalsContact O-N 3.11Å; R416-R420 PolarHBondContact O-N 3.32Å
417	Y	98.6	Very high	97.7	Very high	1 Å²	1	10 Å²	10	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-81.1	-36.6	174.5	-57.1	-74.4	0	0	0	112.4	L104 H413 G414 F415 A419 R420 A421 S457 G458 Q461	L104-Y417 HydrophobicContact CD1-CD1 3.98Å; L104-Y417 HydrophobicContact CD1-CE1 4.04Å; L104-Y417 HydrophobicContact CD2-CE1 4.05Å; H413-Y417 WeakPolarHBondContact O-CD2 3.47Å; H413-Y417 WeakPolarHBondContact O-CE2 3.43Å; G414-Y417 PolarHBondContact O-N 2.95Å; F415-Y417 PolarHBondContact O-N 3.03Å; Y417-A419 VanDerWaalsContact C-N 3.31Å; Y417-A419 PolarHBondContact O-N 2.87Å; Y417-R420 WeakPolarHBondContact O-CB 3.33Å; Y417-R420 PolarHBondContact O-N 3.06Å; Y417-A421 PolarHBondContact O-N 2.75Å; Y417-S457 WeakPolarHBondContact OH-CB 3.38Å; Y417-S457 PolarHBondContact OH-OG 3.27Å; Y417-G458 VanDerWaalsContact CD1-CA 3.47Å; Y417-Q461 HydrophobicContact CD2-CB 4.48Å; Y417-Q461 HydrophobicContact CE2-CB 4.23Å; Y417-Q461 HydrophobicContact CE2-CG 4.28Å
418	T	98.3	Very high	97.8	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.012	6%	0.061	C	C	.	.	H	α-helix	trans	-65.3	-35.5	173.8	68.2	0	0	0	0	112	Y384 F415 R420 A421 V422 M462	Y384-T418 HydrophobicContact CE2-CG2 4.13Å; Y384-T418 VanDerWaalsContact OH-CG2 3.3Å; Y384-T418 WeakPolarHBondContact OH-CG2 3.39Å; F415-T418 WeakPolarHBondContact CA-OG1 3.32Å; F415-T418 PolarHBondContact O-N 3.34Å; F415-T418 VanDerWaalsContact O-N 3.09Å; F415-T418 PolarHBondContact O-OG1 3.01Å; T418-R420 VanDerWaalsContact C-N 3.35Å; T418-A421 WeakPolarHBondContact O-CB 3.4Å; T418-A421 PolarHBondContact O-N 3.49Å; T418-V422 WeakPolarHBondContact O-CG2 3.27Å; T418-V422 PolarHBondContact O-N 3.18Å; T418-M462 HydrophobicContact CG2-CE 3.49Å; T418-M462 VanDerWaalsContact CG2-CE 3.49Å; T418-M462 HydrophobicContact CG2-CG 4.27Å; T418-M462 HydrophobicContact CG2-SD 3.95Å
419	A	98.5	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.1	-41.6	172.7	0	0	0	0	0	111.1	Q45 M46 F415 Y417 V422 H423	Q45-A419 HydrophobicContact CG-CB 3.9Å; M46-A419 WeakPolarHBondContact CE-O 3.35Å; F415-A419 WeakPolarHBondContact O-CB 3.41Å; F415-A419 PolarHBondContact O-N 2.97Å; Y417-A419 VanDerWaalsContact C-N 3.31Å; Y417-A419 PolarHBondContact O-N 2.87Å; A419-V422 PolarHBondContact O-N 2.91Å; A419-H423 WeakPolarHBondContact O-CB 3.14Å; A419-H423 PolarHBondContact O-N 2.78Å
420	R	98.7	Very high	97.9	Very high	53 Å²	53	21 Å²	21	20%	0.2	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-44.2	171.7	179.5	160.1	69.3	-171.3	-0.7	111.8	F49 R416 Y417 T418 H423 R424 E482	F49-R420 HydrophobicContact CE1-CB 4.42Å; F49-R420 HydrophobicContact CE1-CG 4.36Å; F49-R420 VanDerWaalsContact CE2-CA 3.49Å; F49-R420 HydrophobicContact CE2-CB 3.68Å; F49-R420 HydrophobicContact CE2-CG 4.43Å; F49-R420 HydrophobicContact CZ-CB 3.58Å; F49-R420 HydrophobicContact CZ-CG 3.98Å; R416-R420 PolarHBondContact O-N 3.32Å; Y417-R420 WeakPolarHBondContact O-CB 3.33Å; Y417-R420 PolarHBondContact O-N 3.06Å; T418-R420 VanDerWaalsContact C-N 3.35Å; R420-H423 PolarHBondContact O-N 3.48Å; R420-R424 WeakPolarHBondContact O-CG 3.22Å; R420-R424 PolarHBondContact O-N 3.22Å; R420-E482 IonicContact CZ-OE1 2.69Å; R420-E482 IonicContact CZ-OE2 2.99Å; R420-E482 IonicContact NE-OE2 4Å; R420-E482 PolarHBondContact NE-OE2 3.26Å; R420-E482 IonicContact NH2-OE1 3.79Å; R420-E482 PolarHBondContact NH2-OE1 2.99Å; R420-E482 IonicContact NH2-OE2 2.99Å; R420-E482 PolarHBondContact NH2-OE2 3.29Å
421	A	98.5	Very high	98	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-45	177.5	0	0	0	0	0	112.1	Y417 T418 H423 R424 V425 W435 L466 L484	Y417-A421 PolarHBondContact O-N 2.75Å; T418-A421 WeakPolarHBondContact O-CB 3.4Å; T418-A421 PolarHBondContact O-N 3.49Å; A421-H423 VanDerWaalsContact C-N 3.35Å; A421-H423 PolarHBondContact O-N 3.35Å; A421-R424 PolarHBondContact O-N 3.01Å; A421-V425 WeakPolarHBondContact O-CG2 3.46Å; A421-V425 PolarHBondContact O-N 3Å; A421-W435 HydrophobicContact CB-CH2 3.85Å; A421-W435 HydrophobicContact CB-CZ2 4.4Å; A421-L466 HydrophobicContact CB-CD2 4.39Å; A421-L484 HydrophobicContact CB-CD1 4.18Å; A421-L484 HydrophobicContact CB-CD2 3.85Å; A421-L484 HydrophobicContact CB-CG 3.94Å
422	V	98.7	Very high	98	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-44.7	174.8	173.5	0	0	0	0	111	M46 Y384 F393 L395 T418 A419 R424 V425 L426	M46-V422 HydrophobicContact CE-CB 4.05Å; M46-V422 HydrophobicContact CE-CG1 3.91Å; Y384-V422 HydrophobicContact CD2-CG2 3.62Å; Y384-V422 HydrophobicContact CG-CG2 4.03Å; F393-V422 HydrophobicContact CB-CG1 4.27Å; F393-V422 HydrophobicContact CD1-CG1 3.69Å; F393-V422 HydrophobicContact CE1-CG1 4.3Å; F393-V422 HydrophobicContact CG-CG1 4.16Å; L395-V422 HydrophobicContact CD2-CB 4.06Å; L395-V422 HydrophobicContact CD2-CG1 3.96Å; L395-V422 HydrophobicContact CD2-CG2 4.08Å; T418-V422 WeakPolarHBondContact O-CG2 3.27Å; T418-V422 PolarHBondContact O-N 3.18Å; A419-V422 PolarHBondContact O-N 2.91Å; V422-R424 VanDerWaalsContact C-N 3.33Å; V422-R424 PolarHBondContact O-N 3.19Å; V422-V425 WeakPolarHBondContact O-CB 3.4Å; V422-V425 PolarHBondContact O-N 3.16Å; V422-V425 VanDerWaalsContact O-N 3.16Å; V422-L426 HydrophobicContact CG1-CD1 4.03Å; V422-L426 HydrophobicContact CG1-CG 4.41Å; V422-L426 WeakPolarHBondContact O-CG 3.22Å; V422-L426 PolarHBondContact O-N 3.38Å
423	H	98.8	Very high	98	Very high	21 Å²	21	26.3 Å²	26.3	10%	0.097	13%	0.13	C	C	.	.	H	α-helix	trans	-56.3	-47	175.1	173.4	-100.7	0	0	0	111.5	M46 F49 A419 R420 A421 V425 L426 E427	M46-H423 HydrophobicContact CE-CB 4.23Å; M46-H423 HydrophobicContact SD-CB 4.09Å; F49-H423 HydrophobicContact CB-CB 4.04Å; F49-H423 VanDerWaalsContact CB-CD2 3.49Å; F49-H423 WeakPolarHBondContact CB-CD2 3.22Å; F49-H423 HydrophobicContact CD2-CB 4.24Å; F49-H423 HydrophobicContact CG-CB 4.29Å; F49-H423 PolarHBondContact O-NE2 2.92Å; A419-H423 WeakPolarHBondContact O-CB 3.14Å; A419-H423 PolarHBondContact O-N 2.78Å; R420-H423 PolarHBondContact O-N 3.48Å; A421-H423 VanDerWaalsContact C-N 3.35Å; A421-H423 PolarHBondContact O-N 3.35Å; H423-V425 VanDerWaalsContact C-N 3.32Å; H423-V425 PolarHBondContact O-N 3.18Å; H423-L426 WeakPolarHBondContact O-CB 3.49Å; H423-L426 PolarHBondContact O-N 2.88Å; H423-L426 VanDerWaalsContact O-N 3.09Å; H423-E427 WeakPolarHBondContact CE1-CG 3.38Å; H423-E427 IonicContact NE2-OE1 3.6Å; H423-E427 WeakPolarHBondContact O-CB 3.48Å; H423-E427 VanDerWaalsContact O-CG 3.29Å; H423-E427 WeakPolarHBondContact O-CG 3.48Å; H423-E427 PolarHBondContact O-N 2.66Å
424	R	98.7	Very high	98	Very high	28 Å²	28	32.2 Å²	32.2	11%	0.106	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-36.6	177.3	-70.2	173.4	176	174.1	-5.4	113.1	R420 A421 V422 E427 Y428 W435 E481	R420-R424 WeakPolarHBondContact O-CG 3.22Å; R420-R424 PolarHBondContact O-N 3.22Å; A421-R424 PolarHBondContact O-N 3.01Å; V422-R424 VanDerWaalsContact C-N 3.33Å; V422-R424 PolarHBondContact O-N 3.19Å; R424-E427 PolarHBondContact O-N 2.91Å; R424-Y428 PolarHBondContact O-N 3.16Å; R424-W435 HydrophobicContact CB-CD2 3.83Å; R424-W435 HydrophobicContact CB-CE3 3.58Å; R424-W435 HydrophobicContact CB-CH2 4.01Å; R424-W435 HydrophobicContact CB-CZ2 4.22Å; R424-W435 HydrophobicContact CB-CZ3 3.69Å; R424-W435 HydrophobicContact CG-CD2 4.39Å; R424-W435 VanDerWaalsContact NH1-NE1 3.16Å; R424-E481 PolarHBondContact NH1-O 3Å
425	V	98.5	Very high	98	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-44.2	172.5	171.2	0	0	0	0	111.2	W383 A421 V422 H423 R429 W435 L484 L494	W383-V425 HydrophobicContact CB-CG2 4.25Å; A421-V425 WeakPolarHBondContact O-CG2 3.46Å; A421-V425 PolarHBondContact O-N 3Å; V422-V425 WeakPolarHBondContact O-CB 3.4Å; V422-V425 PolarHBondContact O-N 3.16Å; V422-V425 VanDerWaalsContact O-N 3.16Å; H423-V425 VanDerWaalsContact C-N 3.32Å; H423-V425 PolarHBondContact O-N 3.18Å; V425-R429 WeakPolarHBondContact O-CB 3.41Å; V425-R429 PolarHBondContact O-N 2.97Å; V425-W435 HydrophobicContact CG2-CZ3 3.9Å; V425-L484 HydrophobicContact CG2-CD1 4.14Å; V425-L494 HydrophobicContact CG1-CD2 3.81Å; V425-L494 HydrophobicContact CG2-CD2 4.37Å
426	L	98.4	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-40.2	179.7	-66.5	168.9	0	0	0	111.8	Y34 I175 L177 F393 V422 H423 R429 H430	Y34-L426 HydrophobicContact CE1-CD1 4.09Å; Y34-L426 HydrophobicContact CE1-CD2 4.4Å; I175-L426 HydrophobicContact CG2-CD2 4.09Å; L177-L426 HydrophobicContact CD1-CD1 4.33Å; L177-L426 HydrophobicContact CD2-CD1 3.89Å; F393-L426 HydrophobicContact CD2-CD2 4.17Å; F393-L426 HydrophobicContact CE1-CD2 4.32Å; F393-L426 HydrophobicContact CE2-CD2 3.57Å; F393-L426 HydrophobicContact CZ-CD2 3.64Å; V422-L426 HydrophobicContact CG1-CD1 4.03Å; V422-L426 HydrophobicContact CG1-CG 4.41Å; V422-L426 WeakPolarHBondContact O-CG 3.22Å; V422-L426 PolarHBondContact O-N 3.38Å; H423-L426 WeakPolarHBondContact O-CB 3.49Å; H423-L426 PolarHBondContact O-N 2.88Å; H423-L426 VanDerWaalsContact O-N 3.09Å; L426-R429 PolarHBondContact O-N 3.22Å; L426-H430 WeakPolarHBondContact O-CB 3.42Å; L426-H430 PolarHBondContact O-N 2.93Å
427	E	98.4	Very high	98	Very high	17 Å²	17	37.8 Å²	37.8	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-47.4	177.5	-76.8	-63.3	107.2	0	0	111.9	R55 H423 R424 H431 G432 N433	R55-E427 IonicContact CZ-OE1 3.96Å; R55-E427 VanDerWaalsContact CZ-OE1 3.3Å; R55-E427 IonicContact CZ-OE2 2.85Å; R55-E427 IonicContact NE-OE1 2.93Å; R55-E427 PolarHBondContact NE-OE1 3.35Å; R55-E427 IonicContact NE-OE2 3.58Å; R55-E427 IonicContact NH2-OE1 3.55Å; R55-E427 PolarHBondContact NH2-OE1 3.13Å; R55-E427 IonicContact NH2-OE2 3.06Å; R55-E427 PolarHBondContact NH2-OE2 3.1Å; H423-E427 WeakPolarHBondContact CE1-CG 3.38Å; H423-E427 IonicContact NE2-OE1 3.6Å; H423-E427 WeakPolarHBondContact O-CB 3.48Å; H423-E427 VanDerWaalsContact O-CG 3.29Å; H423-E427 WeakPolarHBondContact O-CG 3.48Å; H423-E427 PolarHBondContact O-N 2.66Å; R424-E427 PolarHBondContact O-N 2.91Å; E427-H431 CarbonylContact O-C 3.38Å; E427-H431 WeakPolarHBondContact O-CA 3.32Å; E427-H431 WeakPolarHBondContact O-CB 3.44Å; E427-H431 PolarHBondContact O-N 2.9Å; E427-H431 IonicContact OE1-CD2 3.51Å; E427-G432 PolarHBondContact O-N 3.3Å; E427-G432 VanDerWaalsContact O-N 3.15Å; E427-N433 CarbonylContact C-O 3.32Å; E427-N433 HydrophobicContact CB-CB 3.95Å; E427-N433 PolarHBondContact O-N 2.65Å; E427-N433 VanDerWaalsContact O-N 3.1Å; E427-N433 PolarHBondContact OE2-ND2 2.99Å
428	Y	98.1	Very high	97.9	Very high	74 Å²	74	40 Å²	40	29%	0.29	21%	0.207	S	C	.	.	H	α-helix	trans	-68.3	-48.2	176.4	-180	-119.8	0	0	0	111.5	R424 H430 G432 N433 K434 S493 G496	R424-Y428 PolarHBondContact O-N 3.16Å; Y428-H430 PolarHBondContact O-N 3.23Å; Y428-G432 WeakPolarHBondContact O-CA 3.05Å; Y428-G432 PolarHBondContact O-N 2.83Å; Y428-N433 WeakPolarHBondContact CA-O 3.37Å; Y428-N433 WeakPolarHBondContact CB-O 3.37Å; Y428-N433 PolarHBondContact N-O 3.34Å; Y428-K434 HydrophobicContact CD2-CG 4.35Å; Y428-K434 HydrophobicContact CE2-CG 4.38Å; Y428-S493 WeakPolarHBondContact CD1-O 3.4Å; Y428-S493 VanDerWaalsContact CE1-O 3.3Å; Y428-S493 WeakPolarHBondContact CE1-O 3.19Å; Y428-G496 WeakPolarHBondContact OH-CA 3.37Å
429	R	96.6	Very high	97.9	Very high	88 Å²	88	48.3 Å²	48.3	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-38.4	-172.9	-174.3	-177.3	-61.4	-170.8	0.7	113.7	E385 V425 L426	E385-R429 VanDerWaalsContact CD-NH1 3.3Å; E385-R429 IonicContact OE1-NH1 3.23Å; E385-R429 PolarHBondContact OE1-NH1 3.43Å; E385-R429 IonicContact OE2-CZ 3.65Å; E385-R429 IonicContact OE2-NH1 2.78Å; E385-R429 PolarHBondContact OE2-NH1 3.33Å; E385-R429 IonicContact OE2-NH2 3.67Å; V425-R429 WeakPolarHBondContact O-CB 3.41Å; V425-R429 PolarHBondContact O-N 2.97Å; L426-R429 PolarHBondContact O-N 3.22Å
430	H	95.9	Very high	97.7	Very high	76 Å²	76	49 Å²	49	35%	0.352	24%	0.242	S	C	.	.	H	α-helix	trans	-113.4	-15.9	-170.8	-65.7	-65.8	0	0	0	114.1	L426 Y428	L426-H430 WeakPolarHBondContact O-CB 3.42Å; L426-H430 PolarHBondContact O-N 2.93Å; Y428-H430 PolarHBondContact O-N 3.23Å
431	H	97.1	Very high	97.4	Very high	49 Å²	49	50.6 Å²	50.6	23%	0.227	25%	0.253	C	S	.	.	H	α-helix	trans	-129.5	1.5	-175.5	-55.8	-79.7	0	0	0	113.5	Q33 Y34 R55 E427 N433	Q33-H431 PolarHBondContact NE2-CE1 3.06Å; Q33-H431 PolarHBondContact NE2-NE2 3.03Å; Q33-H431 PolarHBondContact OE1-CE1 3.41Å; Y34-H431 AromaticContact CE2-NE2 3.86Å; Y34-H431 AromaticContact CZ-NE2 3.79Å; Y34-H431 PolarHBondContact OH-NE2 3.17Å; R55-H431 VanDerWaalsContact CZ-CD2 3.5Å; R55-H431 VanDerWaalsContact CZ-ND1 3.33Å; R55-H431 PolarHBondContact NE-NE2 3.08Å; R55-H431 PolarHBondContact NH1-CE1 2.97Å; R55-H431 PolarHBondContact NH1-ND1 3.21Å; E427-H431 CarbonylContact O-C 3.38Å; E427-H431 WeakPolarHBondContact O-CA 3.32Å; E427-H431 WeakPolarHBondContact O-CB 3.44Å; E427-H431 PolarHBondContact O-N 2.9Å; E427-H431 IonicContact OE1-CD2 3.51Å; H431-N433 PolarHBondContact O-N 2.77Å
432	G	96.9	Very high	97.1	Very high	53 Å²	53	50.6 Å²	50.6	55%	0.546	25%	0.253	S	S	.	.			trans	70.2	6.1	179.4	0	0	0	0	0	114.6	E427 Y428 K434	E427-G432 PolarHBondContact O-N 3.3Å; E427-G432 VanDerWaalsContact O-N 3.15Å; Y428-G432 WeakPolarHBondContact O-CA 3.05Å; Y428-G432 PolarHBondContact O-N 2.83Å; G432-K434 PolarHBondContact O-N 3.41Å
433	N	97.9	Very high	96.8	Very high	76 Å²	76	51.8 Å²	51.8	41%	0.406	26%	0.26	S	S	.	.			trans	-80.2	106.1	-178.4	-76.3	-19.3	0	0	0	109.9	R55 E427 Y428 H431	R55-N433 PolarHBondContact NH2-ND2 3.28Å; E427-N433 CarbonylContact C-O 3.32Å; E427-N433 HydrophobicContact CB-CB 3.95Å; E427-N433 PolarHBondContact O-N 2.65Å; E427-N433 VanDerWaalsContact O-N 3.1Å; E427-N433 PolarHBondContact OE2-ND2 2.99Å; Y428-N433 WeakPolarHBondContact CA-O 3.37Å; Y428-N433 WeakPolarHBondContact CB-O 3.37Å; Y428-N433 PolarHBondContact N-O 3.34Å; H431-N433 PolarHBondContact O-N 2.77Å
434	K	98	Very high	96.5	Very high	126 Å²	126	55.2 Å²	55.2	55%	0.548	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-57.6	153.5	179	-63.5	-171.1	176.9	-156.6	0	111.8	Y428 G432 G496	Y428-K434 HydrophobicContact CD2-CG 4.35Å; Y428-K434 HydrophobicContact CE2-CG 4.38Å; G432-K434 PolarHBondContact O-N 3.41Å; K434-G496 WeakPolarHBondContact CD-O 3.24Å; K434-G496 VanDerWaalsContact CE-O 3.23Å; K434-G496 WeakPolarHBondContact CE-O 3.35Å; K434-G496 PolarHBondContact NZ-O 3.37Å
435	W	98.3	Very high	96.3	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-56.1	133.9	171.5	-161.7	-71.7	0	0	0	109.7	A421 R424 V425 S437 V480 E481 E482 F483 S495 H497	A421-W435 HydrophobicContact CB-CH2 3.85Å; A421-W435 HydrophobicContact CB-CZ2 4.4Å; R424-W435 HydrophobicContact CB-CD2 3.83Å; R424-W435 HydrophobicContact CB-CE3 3.58Å; R424-W435 HydrophobicContact CB-CH2 4.01Å; R424-W435 HydrophobicContact CB-CZ2 4.22Å; R424-W435 HydrophobicContact CB-CZ3 3.69Å; R424-W435 HydrophobicContact CG-CD2 4.39Å; R424-W435 VanDerWaalsContact NH1-NE1 3.16Å; V425-W435 HydrophobicContact CG2-CZ3 3.9Å; W435-S437 PolarHBondContact O-N 3.18Å; W435-V480 HydrophobicContact CB-CG1 4.38Å; W435-V480 HydrophobicContact CG-CG1 3.91Å; W435-E481 PolarHBondContact NE1-O 2.85Å; W435-E482 VanDerWaalsContact CZ2-O 3.28Å; W435-E482 WeakPolarHBondContact CZ2-O 3.47Å; W435-F483 HydrophobicContact CD2-CD2 4.22Å; W435-F483 HydrophobicContact CE3-CD2 4.1Å; W435-F483 HydrophobicContact CE3-CE2 4.26Å; W435-F483 HydrophobicContact CH2-CD2 4.09Å; W435-F483 HydrophobicContact CZ2-CD2 4.22Å; W435-F483 HydrophobicContact CZ3-CD2 4.02Å; W435-F483 HydrophobicContact CZ3-CE2 4.13Å; W435-S495 WeakPolarHBondContact CB-O 3.16Å; W435-S495 PolarHBondContact N-O 2.97Å; W435-H497 PolarHBondContact O-NE2 2.79Å
436	P	97.1	Very high	96.2	Very high	72 Å²	72	55.8 Å²	55.8	47%	0.468	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-55.9	132.2	-179.3	-27.8	35.8	0	0	0	112.4
437	S	97.2	Very high	96	Very high	51 Å²	51	59.2 Å²	59.2	36%	0.357	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.4	179.8	63.2	0	0	0	0	111.4	W435 Y479 H497	W435-S437 PolarHBondContact O-N 3.18Å; S437-Y479 CarbonylContact C-O 3.57Å; S437-Y479 VanDerWaalsContact CA-O 3.25Å; S437-Y479 WeakPolarHBondContact CA-O 3.34Å; S437-H497 PolarHBondContact OG-CE1 3.06Å; S437-H497 VanDerWaalsContact OG-CE1 3.25Å
438	T	97.7	Very high	95.9	Very high	47 Å²	47	60.9 Å²	60.9	29%	0.288	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.5	173.8	-56	0	0	0	0	109.5	L440 W448 Y479	T438-L440 HydrophobicContact CG2-CD2 3.68Å; T438-L440 HydrophobicContact CG2-CG 4.03Å; T438-W448 HydrophobicContact CG2-CH2 3.93Å; T438-W448 HydrophobicContact CG2-CZ2 4Å; T438-W448 HydrophobicContact CG2-CZ3 4.4Å; T438-Y479 PolarHBondContact N-O 3.11Å; T438-Y479 PolarHBondContact O-N 2.69Å
439	R	97.1	Very high	95.9	Very high	177 Å²	177	57.4 Å²	57.4	67%	0.668	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.4	172.7	-171.3	178.3	-175	-178.2	5	109.3	H476	R439-H476 PolarHBondContact NE-CD2 2.79Å; R439-H476 PolarHBondContact NH2-NE2 2.95Å
440	L	95.1	Very high	96	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.6	-176.9	-59.3	169.3	0	0	0	110	T438 W448 H476 C477 Y479	T438-L440 HydrophobicContact CG2-CD2 3.68Å; T438-L440 HydrophobicContact CG2-CG 4.03Å; L440-W448 HydrophobicContact CD1-CB 3.64Å; L440-W448 HydrophobicContact CD1-CD2 3.73Å; L440-W448 HydrophobicContact CD1-CE3 4.33Å; L440-W448 HydrophobicContact CD1-CG 3.38Å; L440-W448 HydrophobicContact CD2-CD2 4.1Å; L440-W448 HydrophobicContact CD2-CE3 3.86Å; L440-W448 HydrophobicContact CD2-CZ3 4.31Å; L440-H476 CarbonylContact O-C 3.53Å; L440-H476 VanDerWaalsContact O-CA 3.25Å; L440-H476 WeakPolarHBondContact O-CA 3.36Å; L440-H476 VanDerWaalsContact O-CB 3.3Å; L440-H476 WeakPolarHBondContact O-CB 3.48Å; L440-C477 PolarHBondContact N-O 3.34Å; L440-C477 PolarHBondContact O-N 3.24Å; L440-Y479 HydrophobicContact CD1-CD2 4.34Å; L440-Y479 HydrophobicContact CD1-CG 4.44Å
441	M	93.3	Very high	96	Very high	87 Å²	87	55.6 Å²	55.6	43%	0.429	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	144.3	163.2	-64.1	-61.4	-177.5	0	0	108.9	T443 Q444 L445	M441-T443 PolarHBondContact O-N 3.11Å; M441-T443 VanDerWaalsContact O-N 3.11Å; M441-Q444 HydrophobicContact CB-CG 4.18Å; M441-Q444 VanDerWaalsContact N-OE1 3.13Å; M441-Q444 WeakPolarHBondContact O-CA 3.2Å; M441-Q444 WeakPolarHBondContact O-CB 3.29Å; M441-Q444 PolarHBondContact O-N 2.94Å; M441-L445 PolarHBondContact O-N 2.5Å
442	T	92.1	Very high	96	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59	-29.6	179.9	-56.7	0	0	0	0	111.9	Q444 L445 G474 S475 H476 V597 L601	T442-Q444 PolarHBondContact O-N 2.65Å; T442-L445 VanDerWaalsContact O-CB 3.24Å; T442-L445 WeakPolarHBondContact O-CB 3.45Å; T442-L445 PolarHBondContact O-N 3.26Å; T442-G474 PolarHBondContact OG1-O 3.26Å; T442-S475 PolarHBondContact N-O 2.89Å; T442-S475 VanDerWaalsContact N-O 3.08Å; T442-S475 PolarHBondContact OG1-O 3.1Å; T442-H476 WeakPolarHBondContact OG1-CA 3.49Å; T442-H476 PolarHBondContact OG1-N 3.29Å; T442-H476 PolarHBondContact OG1-O 2.71Å; T442-V597 HydrophobicContact CG2-CB 4.2Å; T442-V597 HydrophobicContact CG2-CG1 3.99Å; T442-V597 HydrophobicContact CG2-CG2 4.1Å; T442-L601 HydrophobicContact CG2-CD2 3.98Å
443	T	90.8	Very high	96	Very high	26 Å²	26	51.2 Å²	51.2	16%	0.16	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-66.1	-20.7	173.8	49.3	0	0	0	0	114.1	M441 L621 F622 Q625	M441-T443 PolarHBondContact O-N 3.11Å; M441-T443 VanDerWaalsContact O-N 3.11Å; T443-L621 HydrophobicContact CG2-CB 4.36Å; T443-L621 HydrophobicContact CG2-CD2 4.07Å; T443-L621 HydrophobicContact CG2-CG 4.01Å; T443-F622 HydrophobicContact CG2-CB 4.2Å; T443-Q625 PolarHBondContact OG1-OE1 2.73Å
444	Q	92.9	Very high	95.9	Very high	93 Å²	93	48.6 Å²	48.6	44%	0.435	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-94.4	-5.1	176.8	-63	170.7	-38.1	0	0	112.8	M441 T442 M446 S447 W448	M441-Q444 HydrophobicContact CB-CG 4.18Å; M441-Q444 VanDerWaalsContact N-OE1 3.13Å; M441-Q444 WeakPolarHBondContact O-CA 3.2Å; M441-Q444 WeakPolarHBondContact O-CB 3.29Å; M441-Q444 PolarHBondContact O-N 2.94Å; T442-Q444 PolarHBondContact O-N 2.65Å; Q444-M446 VanDerWaalsContact C-N 3.33Å; Q444-M446 PolarHBondContact O-N 2.83Å; Q444-S447 PolarHBondContact O-N 2.95Å; Q444-S447 PolarHBondContact O-OG 2.59Å; Q444-W448 PolarHBondContact O-N 3.22Å; Q444-W448 VanDerWaalsContact O-N 3.1Å
445	L	94.8	Very high	95.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-43.4	-173.1	177.6	56.7	0	0	0	112.3	M441 T442 W448 I449 I470 L472 Y479 L593	M441-L445 PolarHBondContact O-N 2.5Å; T442-L445 VanDerWaalsContact O-CB 3.24Å; T442-L445 WeakPolarHBondContact O-CB 3.45Å; T442-L445 PolarHBondContact O-N 3.26Å; L445-W448 PolarHBondContact O-N 2.91Å; L445-I449 HydrophobicContact CD1-CD1 3.78Å; L445-I449 HydrophobicContact CD1-CG1 4.05Å; L445-I449 HydrophobicContact CG-CD1 3.81Å; L445-I449 HydrophobicContact CG-CG1 4.49Å; L445-I449 WeakPolarHBondContact O-CG1 3.3Å; L445-I449 PolarHBondContact O-N 3.48Å; L445-I470 HydrophobicContact CD1-CD1 4.16Å; L445-I470 HydrophobicContact CD1-CG1 4.25Å; L445-I470 HydrophobicContact CD1-CG2 3.68Å; L445-I470 HydrophobicContact CD2-CG2 4.19Å; L445-L472 HydrophobicContact CD2-CD2 4.3Å; L445-Y479 HydrophobicContact CD1-CD2 4.38Å; L445-L593 HydrophobicContact CD2-CD2 4.07Å; L445-L593 HydrophobicContact CG-CD1 4.44Å
446	M	95.7	Very high	95.7	Very high	41 Å²	41	45.3 Å²	45.3	20%	0.202	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-48.7	-178.7	-174.5	-173.6	72.9	0	0	111.7	Q444 W448 I449 L450 I586 L589 R590 L593	Q444-M446 VanDerWaalsContact C-N 3.33Å; Q444-M446 PolarHBondContact O-N 2.83Å; M446-W448 VanDerWaalsContact C-N 3.29Å; M446-W448 PolarHBondContact O-N 3.12Å; M446-I449 PolarHBondContact O-N 3Å; M446-L450 HydrophobicContact CE-CD1 4.49Å; M446-L450 HydrophobicContact CG-CD1 4.03Å; M446-L450 VanDerWaalsContact O-CG 3.26Å; M446-L450 WeakPolarHBondContact O-CG 3.26Å; M446-L450 PolarHBondContact O-N 2.8Å; M446-I586 HydrophobicContact CE-CG2 3.93Å; M446-I586 HydrophobicContact SD-CG2 3.89Å; M446-L589 HydrophobicContact CG-CD2 4.07Å; M446-L589 HydrophobicContact CG-CG 4.38Å; M446-R590 HydrophobicContact SD-CB 3.71Å; M446-R590 HydrophobicContact SD-CG 4.14Å; M446-L593 HydrophobicContact CB-CD1 3.82Å; M446-L593 HydrophobicContact CG-CD1 4.21Å
447	S	95.1	Very high	95.7	Very high	72 Å²	72	42 Å²	42	50%	0.503	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-36	-179.9	54.9	0	0	0	0	111.8	Q444 L450 K451	Q444-S447 PolarHBondContact O-N 2.95Å; Q444-S447 PolarHBondContact O-OG 2.59Å; S447-L450 PolarHBondContact O-N 3.47Å; S447-K451 WeakPolarHBondContact O-CB 3.27Å; S447-K451 PolarHBondContact O-N 2.67Å
448	W	97.2	Very high	95.7	Very high	52 Å²	52	39.5 Å²	39.5	20%	0.197	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-43.1	174.8	-166.9	-89.8	0	0	0	112.6	T438 L440 Q444 L445 M446 K451 R452 Y479	T438-W448 HydrophobicContact CG2-CH2 3.93Å; T438-W448 HydrophobicContact CG2-CZ2 4Å; T438-W448 HydrophobicContact CG2-CZ3 4.4Å; L440-W448 HydrophobicContact CD1-CB 3.64Å; L440-W448 HydrophobicContact CD1-CD2 3.73Å; L440-W448 HydrophobicContact CD1-CE3 4.33Å; L440-W448 HydrophobicContact CD1-CG 3.38Å; L440-W448 HydrophobicContact CD2-CD2 4.1Å; L440-W448 HydrophobicContact CD2-CE3 3.86Å; L440-W448 HydrophobicContact CD2-CZ3 4.31Å; Q444-W448 PolarHBondContact O-N 3.22Å; Q444-W448 VanDerWaalsContact O-N 3.1Å; L445-W448 PolarHBondContact O-N 2.91Å; M446-W448 VanDerWaalsContact C-N 3.29Å; M446-W448 PolarHBondContact O-N 3.12Å; W448-K451 PolarHBondContact O-N 2.95Å; W448-R452 WeakPolarHBondContact O-CG 3.39Å; W448-R452 PolarHBondContact O-N 2.89Å; W448-Y479 AromaticContact CD1-CD1 3.8Å; W448-Y479 AromaticContact CD1-CD2 3.35Å; W448-Y479 AromaticContact CD1-CE1 3.86Å; W448-Y479 AromaticContact CD1-CE2 3.45Å; W448-Y479 VanDerWaalsContact CD1-CE2 3.45Å; W448-Y479 AromaticContact CD1-CG 3.55Å; W448-Y479 AromaticContact CD1-CZ 3.71Å; W448-Y479 HydrophobicContact CG-CD2 4.41Å; W448-Y479 AromaticContact NE1-CD1 3.32Å; W448-Y479 VanDerWaalsContact NE1-CD1 3.32Å; W448-Y479 AromaticContact NE1-CD2 3.77Å; W448-Y479 AromaticContact NE1-CE1 3.56Å; W448-Y479 AromaticContact NE1-CG 3.43Å; W448-Y479 AromaticContact NE1-CZ 3.92Å
449	I	97.9	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-49	174.2	-71.6	166.2	0	0	0	110.1	L445 M446 K451 R452 V453 I470 Y479 L541 L589 L593	L445-I449 HydrophobicContact CD1-CD1 3.78Å; L445-I449 HydrophobicContact CD1-CG1 4.05Å; L445-I449 HydrophobicContact CG-CD1 3.81Å; L445-I449 HydrophobicContact CG-CG1 4.49Å; L445-I449 WeakPolarHBondContact O-CG1 3.3Å; L445-I449 PolarHBondContact O-N 3.48Å; M446-I449 PolarHBondContact O-N 3Å; I449-K451 VanDerWaalsContact C-N 3.32Å; I449-K451 PolarHBondContact O-N 3.09Å; I449-R452 PolarHBondContact O-N 3.2Å; I449-R452 VanDerWaalsContact O-N 3.1Å; I449-V453 HydrophobicContact CG2-CG1 4.26Å; I449-V453 WeakPolarHBondContact O-CG2 3.06Å; I449-V453 PolarHBondContact O-N 2.6Å; I449-I470 HydrophobicContact CD1-CD1 3.89Å; I449-I470 HydrophobicContact CG1-CD1 4.11Å; I449-Y479 HydrophobicContact CG1-CE2 4.14Å; I449-L541 HydrophobicContact CD1-CD2 4.05Å; I449-L541 HydrophobicContact CG2-CD2 4.5Å; I449-L589 HydrophobicContact CB-CD2 4.47Å; I449-L589 HydrophobicContact CG2-CD1 4.45Å; I449-L589 HydrophobicContact CG2-CD2 3.91Å; I449-L593 HydrophobicContact CD1-CD1 4.05Å; I449-L593 HydrophobicContact CD1-CD2 3.94Å
450	L	97.3	Very high	95.7	Very high	28 Å²	28	31 Å²	31	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-57.6	-44.4	179.5	-68.9	168.5	0	0	0	111.7	M446 S447 V453 G454 M571 W579 I586 L589	M446-L450 HydrophobicContact CE-CD1 4.49Å; M446-L450 HydrophobicContact CG-CD1 4.03Å; M446-L450 VanDerWaalsContact O-CG 3.26Å; M446-L450 WeakPolarHBondContact O-CG 3.26Å; M446-L450 PolarHBondContact O-N 2.8Å; S447-L450 PolarHBondContact O-N 3.47Å; L450-V453 VanDerWaalsContact O-CG2 3.29Å; L450-V453 WeakPolarHBondContact O-CG2 3.32Å; L450-G454 PolarHBondContact O-N 3.09Å; L450-M571 HydrophobicContact CD2-CE 4.18Å; L450-W579 WeakPolarHBondContact CD2-O 3.37Å; L450-I586 HydrophobicContact CD1-CD1 4.28Å; L450-I586 HydrophobicContact CD1-CG1 3.94Å; L450-I586 HydrophobicContact CD2-CG1 4.27Å; L450-L589 HydrophobicContact CD2-CD2 3.87Å; L450-L589 HydrophobicContact CG-CD2 4.06Å
451	K	96.4	Very high	95.8	Very high	98 Å²	98	30.9 Å²	30.9	43%	0.426	16%	0.158	S	C	.	.	H	α-helix	trans	-58.7	-50.3	173.1	-176.8	-170	174.4	-162.9	0	111.4	S447 W448 I449 G454 E455	S447-K451 WeakPolarHBondContact O-CB 3.27Å; S447-K451 PolarHBondContact O-N 2.67Å; W448-K451 PolarHBondContact O-N 2.95Å; I449-K451 VanDerWaalsContact C-N 3.32Å; I449-K451 PolarHBondContact O-N 3.09Å; K451-G454 PolarHBondContact O-N 2.98Å; K451-E455 WeakPolarHBondContact CE-OE2 3.45Å; K451-E455 WeakPolarHBondContact CG-OE2 3.29Å; K451-E455 WeakPolarHBondContact O-CB 3.49Å; K451-E455 WeakPolarHBondContact O-CG 2.98Å; K451-E455 PolarHBondContact O-N 3.19Å
452	R	96.8	Very high	96	Very high	8 Å²	8	26.7 Å²	26.7	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-46.8	-177.8	-72.6	-67.6	-59.3	157.8	-1.8	112	E93 W448 I449 G454 E455 A456 D468 Y479 E481	E93-R452 IonicContact OE1-CZ 2.67Å; E93-R452 IonicContact OE1-NH1 3.4Å; E93-R452 PolarHBondContact OE1-NH1 2.9Å; E93-R452 IonicContact OE2-NH1 2.73Å; W448-R452 WeakPolarHBondContact O-CG 3.39Å; W448-R452 PolarHBondContact O-N 2.89Å; I449-R452 PolarHBondContact O-N 3.2Å; I449-R452 VanDerWaalsContact O-N 3.1Å; R452-G454 VanDerWaalsContact C-N 3.26Å; R452-G454 PolarHBondContact O-N 3.46Å; R452-E455 PolarHBondContact O-N 2.73Å; R452-A456 VanDerWaalsContact CZ-CB 3.45Å; R452-A456 WeakPolarHBondContact O-CB 3.44Å; R452-A456 PolarHBondContact O-N 3.2Å; R452-D468 IonicContact CZ-OD2 2.66Å; R452-D468 IonicContact NE-OD2 3.22Å; R452-D468 PolarHBondContact NE-OD2 3.23Å; R452-D468 IonicContact NH2-OD1 3.64Å; R452-D468 PolarHBondContact NH2-OD1 3Å; R452-D468 IonicContact NH2-OD2 3.2Å; R452-D468 PolarHBondContact NH2-OD2 3.49Å; R452-D468 VanDerWaalsContact NH2-OD2 3.07Å; R452-Y479 HydrophobicContact CG-CE1 3.85Å; R452-E481 IonicContact CZ-OE2 3.94Å; R452-E481 IonicContact NE-OE1 2.94Å; R452-E481 IonicContact NH1-OE2 3.82Å
453	V	96.9	Very high	96.2	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-33	176.6	-60.2	0	0	0	0	111.7	R97 I449 L450 L507 P539 W579	R97-V453 PolarHBondContact NH2-O 2.83Å; I449-V453 HydrophobicContact CG2-CG1 4.26Å; I449-V453 WeakPolarHBondContact O-CG2 3.06Å; I449-V453 PolarHBondContact O-N 2.6Å; L450-V453 VanDerWaalsContact O-CG2 3.29Å; L450-V453 WeakPolarHBondContact O-CG2 3.32Å; V453-L507 HydrophobicContact CG1-CD1 3.84Å; V453-L507 HydrophobicContact CG1-CD2 3.73Å; V453-L507 HydrophobicContact CG1-CG 4.33Å; V453-P539 HydrophobicContact CB-CB 4.39Å; V453-P539 HydrophobicContact CB-CG 3.88Å; V453-P539 HydrophobicContact CG1-CB 3.73Å; V453-P539 HydrophobicContact CG1-CG 3.78Å; V453-W579 HydrophobicContact CB-CE3 4.14Å; V453-W579 HydrophobicContact CG2-CB 3.78Å; V453-W579 HydrophobicContact CG2-CE3 4.28Å; V453-W579 HydrophobicContact CG2-CG 4.39Å; V453-W579 VanDerWaalsContact O-CE3 3.29Å; V453-W579 WeakPolarHBondContact O-CZ3 3.33Å
454	G	95.6	Very high	96.5	Very high	20 Å²	20	27.4 Å²	27.4	21%	0.206	14%	0.139	C	C	.	.	H	α-helix	trans	-71.8	-32.9	177.1	0	0	0	0	0	114.3	F94 R97 L450 K451 R452	F94-G454 WeakPolarHBondContact CD2-O 3.35Å; R97-G454 PolarHBondContact NH1-O 3.09Å; R97-G454 VanDerWaalsContact NH2-C 3.31Å; R97-G454 PolarHBondContact NH2-O 3.41Å; L450-G454 PolarHBondContact O-N 3.09Å; K451-G454 PolarHBondContact O-N 2.98Å; R452-G454 VanDerWaalsContact C-N 3.26Å; R452-G454 PolarHBondContact O-N 3.46Å
455	E	95.9	Very high	96.7	Very high	55 Å²	55	23.2 Å²	23.2	26%	0.257	12%	0.12	S	C	.	.	H	α-helix	trans	-117.8	-30.8	-167.8	-59.7	179.6	159.6	0	0	114.7	N91 E93 F94 R97 K451 R452 S457	N91-E455 PolarHBondContact ND2-OE1 2.79Å; N91-E455 PolarHBondContact ND2-OE2 3.44Å; N91-E455 VanDerWaalsContact ND2-OE2 3.11Å; E93-E455 CarbonylContact C-O 3.54Å; F94-E455 WeakPolarHBondContact CA-O 3.46Å; F94-E455 PolarHBondContact N-O 2.88Å; R97-E455 VanDerWaalsContact NH2-C 3.3Å; K451-E455 WeakPolarHBondContact CE-OE2 3.45Å; K451-E455 WeakPolarHBondContact CG-OE2 3.29Å; K451-E455 WeakPolarHBondContact O-CB 3.49Å; K451-E455 WeakPolarHBondContact O-CG 2.98Å; K451-E455 PolarHBondContact O-N 3.19Å; R452-E455 PolarHBondContact O-N 2.73Å; E455-S457 PolarHBondContact O-N 2.98Å
456	A	96.9	Very high	96.9	Very high	5 Å²	5	23.2 Å²	23.2	4%	0.041	12%	0.12	C	C	.	.			trans	-63.1	132.7	-167	0	0	0	0	0	112.5	E93 R97 R452 P459 Y460	E93-A456 WeakPolarHBondContact OE1-CA 3.47Å; R97-A456 PolarHBondContact NE-O 3.15Å; R97-A456 VanDerWaalsContact NH2-N 3.17Å; R97-A456 PolarHBondContact NH2-O 2.97Å; R452-A456 VanDerWaalsContact CZ-CB 3.45Å; R452-A456 WeakPolarHBondContact O-CB 3.44Å; R452-A456 PolarHBondContact O-N 3.2Å; A456-P459 HydrophobicContact CB-CG 4.42Å; A456-Y460 WeakPolarHBondContact O-CB 3.38Å
457	S	97.2	Very high	97	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.11	C	C	.	.	S	Bend	trans	-100.6	-28.6	-179.9	47.3	0	0	0	0	113.8	E93 Y417 E455 Y460 Q461	E93-S457 WeakPolarHBondContact CG-OG 3.41Å; E93-S457 WeakPolarHBondContact O-CB 3.37Å; E93-S457 PolarHBondContact O-OG 3.11Å; Y417-S457 WeakPolarHBondContact OH-CB 3.38Å; Y417-S457 PolarHBondContact OH-OG 3.27Å; E455-S457 PolarHBondContact O-N 2.98Å; S457-Y460 PolarHBondContact O-N 3.43Å; S457-Q461 WeakPolarHBondContact O-CB 3.16Å; S457-Q461 WeakPolarHBondContact O-CG 3.44Å; S457-Q461 PolarHBondContact O-N 3.29Å
458	G	97.6	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.1	-60.9	178.1	0	0	0	0	0	113.4	Y417 Y460 Q461 M462 E482	Y417-G458 VanDerWaalsContact CD1-CA 3.47Å; G458-Y460 PolarHBondContact O-N 3.33Å; G458-Q461 PolarHBondContact O-N 2.83Å; G458-M462 WeakPolarHBondContact O-CB 3.18Å; G458-M462 PolarHBondContact O-N 3.34Å; G458-E482 WeakPolarHBondContact CA-OE1 3.17Å
459	P	97.4	Very high	97.2	Very high	7 Å²	7	15.5 Å²	15.5	5%	0.045	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-27.6	177.7	-22.5	35.6	0	0	0	112.9	A456 M462 F463 E482 M509	A456-P459 HydrophobicContact CB-CG 4.42Å; P459-M462 CarbonylContact O-C 3.55Å; P459-F463 VanDerWaalsContact O-CA 3.27Å; P459-F463 WeakPolarHBondContact O-CA 3.33Å; P459-F463 PolarHBondContact O-N 3.18Å; P459-E482 HydrophobicContact CG-CG 4.17Å; P459-M509 HydrophobicContact CB-CG 4.13Å; P459-M509 WeakPolarHBondContact O-CB 3.2Å
460	Y	97.5	Very high	97.3	Very high	38 Å²	38	15.5 Å²	15.5	15%	0.149	8%	0.077	C	C	.	.	H	α-helix	trans	-67.6	-46.4	176.1	-170.8	-76.6	0	0	0	111.8	R97 A456 S457 G458 M509 L537 T577	R97-Y460 HydrophobicContact CB-CD1 4.07Å; R97-Y460 HydrophobicContact CB-CE1 4.19Å; R97-Y460 HydrophobicContact CG-CD1 3.93Å; R97-Y460 HydrophobicContact CG-CD2 4.32Å; R97-Y460 HydrophobicContact CG-CE1 4.41Å; R97-Y460 HydrophobicContact CG-CG 3.88Å; A456-Y460 WeakPolarHBondContact O-CB 3.38Å; S457-Y460 PolarHBondContact O-N 3.43Å; G458-Y460 PolarHBondContact O-N 3.33Å; Y460-M509 HydrophobicContact CD2-CE 4.3Å; Y460-L537 HydrophobicContact CD1-CD2 4.01Å; Y460-L537 HydrophobicContact CD2-CD2 3.73Å; Y460-L537 HydrophobicContact CE1-CD2 3.91Å; Y460-L537 HydrophobicContact CE2-CD2 3.63Å; Y460-L537 HydrophobicContact CG-CD2 3.92Å; Y460-T577 HydrophobicContact CE2-CG2 3.95Å
461	Q	96.8	Very high	97.3	Very high	12 Å²	12	14.1 Å²	14.1	6%	0.056	7%	0.07	C	C	.	.	H	α-helix	trans	-79.9	-41.7	179.7	-65.9	-56	-35.5	0	0	112.6	R97 A408 H413 Y417 S457 G458 F463	R97-Q461 PolarHBondContact O-NE2 3.21Å; A408-Q461 VanDerWaalsContact CB-O 3.24Å; A408-Q461 WeakPolarHBondContact CB-O 3.28Å; H413-Q461 HydrophobicContact CB-CG 4.45Å; H413-Q461 PolarHBondContact CD2-OE1 3.4Å; H413-Q461 WeakPolarHBondContact O-CB 3.44Å; Y417-Q461 HydrophobicContact CD2-CB 4.48Å; Y417-Q461 HydrophobicContact CE2-CB 4.23Å; Y417-Q461 HydrophobicContact CE2-CG 4.28Å; S457-Q461 WeakPolarHBondContact O-CB 3.16Å; S457-Q461 WeakPolarHBondContact O-CG 3.44Å; S457-Q461 PolarHBondContact O-N 3.29Å; G458-Q461 PolarHBondContact O-N 2.83Å; Q461-F463 VanDerWaalsContact C-N 3.26Å; Q461-F463 PolarHBondContact O-N 3.2Å
462	M	97.5	Very high	97.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	45.5	177.3	-66.1	-61.2	-54	0	0	111.1	S407 A408 G409 G414 T418 G458 P459 T465 L466	S407-M462 WeakPolarHBondContact OG-CA 3.49Å; A408-M462 HydrophobicContact CB-SD 4.37Å; G409-M462 PolarHBondContact N-SD 3.22Å; G409-M462 VanDerWaalsContact N-SD 3.42Å; G414-M462 WeakPolarHBondContact CA-SD 3.44Å; G414-M462 WeakPolarHBondContact O-CG 3.39Å; T418-M462 HydrophobicContact CG2-CE 3.49Å; T418-M462 VanDerWaalsContact CG2-CE 3.49Å; T418-M462 HydrophobicContact CG2-CG 4.27Å; T418-M462 HydrophobicContact CG2-SD 3.95Å; G458-M462 WeakPolarHBondContact O-CB 3.18Å; G458-M462 PolarHBondContact O-N 3.34Å; P459-M462 CarbonylContact O-C 3.55Å; M462-T465 HydrophobicContact CE-CG2 3.59Å; M462-T465 PolarHBondContact O-N 2.88Å; M462-L466 HydrophobicContact CB-CB 3.91Å; M462-L466 HydrophobicContact CB-CD1 3.68Å; M462-L466 HydrophobicContact CB-CG 3.62Å; M462-L466 HydrophobicContact CG-CD1 3.81Å; M462-L466 HydrophobicContact CG-CG 4.18Å; M462-L466 PolarHBondContact O-N 3Å
463	F	96.8	Very high	97.2	Very high	19 Å²	19	12.5 Å²	12.5	8%	0.083	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	144.5	178	65.6	-93.4	0	0	0	110.4	S406 S407 P459 Q461 T465 M509 Y511 L537	S406-F463 WeakPolarHBondContact O-CE2 3.36Å; S406-F463 VanDerWaalsContact O-CZ 3.26Å; S406-F463 WeakPolarHBondContact O-CZ 3.47Å; S407-F463 WeakPolarHBondContact CB-O 2.82Å; S407-F463 PolarHBondContact OG-N 2.92Å; S407-F463 PolarHBondContact OG-O 2.79Å; P459-F463 VanDerWaalsContact O-CA 3.27Å; P459-F463 WeakPolarHBondContact O-CA 3.33Å; P459-F463 PolarHBondContact O-N 3.18Å; Q461-F463 VanDerWaalsContact C-N 3.26Å; Q461-F463 PolarHBondContact O-N 3.2Å; F463-T465 PolarHBondContact O-N 2.85Å; F463-T465 PolarHBondContact O-OG1 3.48Å; F463-M509 HydrophobicContact CB-CB 4.19Å; F463-M509 WeakPolarHBondContact CB-O 2.77Å; F463-Y511 HydrophobicContact CD1-CD2 4.42Å; F463-Y511 HydrophobicContact CD1-CE2 4.01Å; F463-Y511 AromaticContact CD2-CD2 3.89Å; F463-Y511 HydrophobicContact CD2-CD2 3.89Å; F463-Y511 HydrophobicContact CD2-CE2 4.31Å; F463-Y511 HydrophobicContact CE1-CD2 4.31Å; F463-Y511 AromaticContact CE1-CE2 3.88Å; F463-Y511 HydrophobicContact CE1-CE2 3.88Å; F463-Y511 AromaticContact CE2-CD2 3.76Å; F463-Y511 HydrophobicContact CE2-CD2 3.76Å; F463-Y511 HydrophobicContact CE2-CE2 4.18Å; F463-Y511 HydrophobicContact CG-CD2 4.22Å; F463-Y511 HydrophobicContact CG-CE2 4.23Å; F463-Y511 AromaticContact CZ-CD2 3.98Å; F463-Y511 HydrophobicContact CZ-CD2 3.98Å; F463-Y511 AromaticContact CZ-CE2 3.96Å; F463-Y511 HydrophobicContact CZ-CE2 3.96Å; F463-L537 HydrophobicContact CB-CD1 3.75Å; F463-L537 HydrophobicContact CG-CD1 4.19Å
464	E	96.4	Very high	96.8	Very high	23 Å²	23	14 Å²	14	11%	0.107	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-2.3	-176.2	-65.6	177.6	-163.8	0	0	116.5	M509 Q510 K513 P561	E464-M509 PolarHBondContact N-O 3.15Å; E464-Q510 HydrophobicContact CG-CB 4.3Å; E464-Q510 HydrophobicContact CG-CG 3.91Å; E464-K513 VanDerWaalsContact OE1-CE 3.27Å; E464-K513 WeakPolarHBondContact OE1-CE 3.48Å; E464-K513 IonicContact OE1-NZ 2.79Å; E464-K513 PolarHBondContact OE1-NZ 2.96Å; E464-K513 IonicContact OE2-NZ 3.18Å; E464-K513 PolarHBondContact OE2-NZ 3.03Å; E464-P561 HydrophobicContact CB-CB 3.88Å; E464-P561 HydrophobicContact CB-CG 4.46Å; E464-P561 HydrophobicContact CG-CB 4.05Å; E464-P561 HydrophobicContact CG-CG 4.08Å
465	T	97.1	Very high	96.4	Very high	6 Å²	6	16 Å²	16	4%	0.037	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-42.2	-178.9	-56.3	0	0	0	0	111.9	S407 M462 F463 L485	S407-T465 WeakPolarHBondContact CB-OG1 3.23Å; M462-T465 HydrophobicContact CE-CG2 3.59Å; M462-T465 PolarHBondContact O-N 2.88Å; F463-T465 PolarHBondContact O-N 2.85Å; F463-T465 PolarHBondContact O-OG1 3.48Å; T465-L485 PolarHBondContact O-N 2.78Å
466	L	98.1	Very high	96.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.3	171	-61.7	-177.2	0	0	0	110.2	A421 M462 F483 L484	A421-L466 HydrophobicContact CB-CD2 4.39Å; M462-L466 HydrophobicContact CB-CB 3.91Å; M462-L466 HydrophobicContact CB-CD1 3.68Å; M462-L466 HydrophobicContact CB-CG 3.62Å; M462-L466 HydrophobicContact CG-CD1 3.81Å; M462-L466 HydrophobicContact CG-CG 4.18Å; M462-L466 PolarHBondContact O-N 3Å; L466-F483 WeakPolarHBondContact CA-O 3.25Å; L466-L484 HydrophobicContact CD2-CD2 3.66Å; L466-L484 HydrophobicContact CD2-CG 4.28Å
467	G	98.3	Very high	96.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	166.3	173.5	0	0	0	0	0	111.6	E482 F483 L507	G467-E482 CarbonylContact O-C 3.51Å; G467-E482 WeakPolarHBondContact O-CA 3.34Å; G467-E482 PolarHBondContact O-N 2.83Å; G467-F483 PolarHBondContact N-O 3.44Å; G467-F483 PolarHBondContact O-N 2.94Å; G467-L507 CarbonylContact C-O 3.55Å; G467-L507 WeakPolarHBondContact CA-O 2.94Å
468	D	98.7	Very high	96.3	Very high	2 Å²	2	17 Å²	17	1%	0.011	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.6	-178.9	-64.5	-9	0	0	0	109	R452 Y479 V480 E481 E482 V506 L507	R452-D468 IonicContact CZ-OD2 2.66Å; R452-D468 IonicContact NE-OD2 3.22Å; R452-D468 PolarHBondContact NE-OD2 3.23Å; R452-D468 IonicContact NH2-OD1 3.64Å; R452-D468 PolarHBondContact NH2-OD1 3Å; R452-D468 IonicContact NH2-OD2 3.2Å; R452-D468 PolarHBondContact NH2-OD2 3.49Å; R452-D468 VanDerWaalsContact NH2-OD2 3.07Å; D468-Y479 HydrophobicContact CB-CE1 3.57Å; D468-Y479 WeakPolarHBondContact CB-OH 3.3Å; D468-Y479 WeakPolarHBondContact OD2-CE1 3.31Å; D468-Y479 PolarHBondContact OD2-OH 3.42Å; D468-Y479 VanDerWaalsContact OD2-OH 3.05Å; D468-V480 CarbonylContact C-O 3.54Å; D468-V480 WeakPolarHBondContact CA-O 3.2Å; D468-E481 WeakPolarHBondContact OD1-CA 3.31Å; D468-E482 PolarHBondContact OD1-N 3.35Å; D468-V506 CarbonylContact O-C 3.51Å; D468-V506 WeakPolarHBondContact O-CA 3.38Å; D468-L507 HydrophobicContact CB-CB 4.27Å; D468-L507 HydrophobicContact CB-CD2 4.43Å; D468-L507 PolarHBondContact N-O 3.19Å; D468-L507 PolarHBondContact O-N 2.89Å
469	V	98.6	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.8	-178.9	178.6	0	0	0	0	109.1	L471 V480 F483 L488 F491 L504 V506	V469-L471 HydrophobicContact CG1-CD2 3.87Å; V469-V480 HydrophobicContact CB-CB 4.31Å; V469-V480 PolarHBondContact N-O 3.36Å; V469-V480 WeakPolarHBondContact O-CB 3.09Å; V469-V480 PolarHBondContact O-N 2.68Å; V469-F483 HydrophobicContact CG2-CB 3.86Å; V469-F483 HydrophobicContact CG2-CD1 4.3Å; V469-F483 HydrophobicContact CG2-CG 4.3Å; V469-L488 HydrophobicContact CG2-CD1 4.23Å; V469-F491 HydrophobicContact CB-CE2 3.93Å; V469-F491 HydrophobicContact CB-CZ 4.34Å; V469-F491 HydrophobicContact CG1-CD2 4.41Å; V469-F491 HydrophobicContact CG1-CE2 3.79Å; V469-F491 HydrophobicContact CG1-CZ 3.86Å; V469-F491 HydrophobicContact CG2-CD2 4.4Å; V469-F491 HydrophobicContact CG2-CE2 4.07Å; V469-L504 HydrophobicContact CG1-CD1 3.96Å; V469-V506 HydrophobicContact CG2-CG1 4.36Å; V469-V506 HydrophobicContact CG2-CG2 4.46Å
470	I	98.6	Very high	96.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.8	-179.5	-57.3	148	0	0	0	107.8	L445 I449 L472 C477 E478 Y479 L504 I505	L445-I470 HydrophobicContact CD1-CD1 4.16Å; L445-I470 HydrophobicContact CD1-CG1 4.25Å; L445-I470 HydrophobicContact CD1-CG2 3.68Å; L445-I470 HydrophobicContact CD2-CG2 4.19Å; I449-I470 HydrophobicContact CD1-CD1 3.89Å; I449-I470 HydrophobicContact CG1-CD1 4.11Å; I470-L472 HydrophobicContact CG2-CD2 4.03Å; I470-C477 HydrophobicContact CG2-CB 4.13Å; I470-E478 WeakPolarHBondContact CA-O 3.44Å; I470-Y479 HydrophobicContact CD1-CD2 4.34Å; I470-Y479 HydrophobicContact CD1-CE2 3.84Å; I470-Y479 HydrophobicContact CG1-CD2 3.52Å; I470-Y479 HydrophobicContact CG1-CE2 3.45Å; I470-Y479 VanDerWaalsContact CG1-CE2 3.45Å; I470-Y479 HydrophobicContact CG1-CG 4.45Å; I470-L504 CarbonylContact O-C 3.43Å; I470-L504 VanDerWaalsContact O-CA 3.23Å; I470-L504 WeakPolarHBondContact O-CA 3.29Å; I470-L504 WeakPolarHBondContact O-CB 3.27Å; I470-I505 HydrophobicContact CB-CB 4.13Å; I470-I505 HydrophobicContact CD1-CB 3.94Å; I470-I505 HydrophobicContact CD1-CG2 3.93Å; I470-I505 PolarHBondContact N-O 2.88Å; I470-I505 PolarHBondContact O-N 2.71Å
471	L	98.1	Very high	96.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.2	176.9	-52.6	176.5	0	0	0	109.1	V469 C477 E478 V480 F491 H497 V499 L504	V469-L471 HydrophobicContact CG1-CD2 3.87Å; L471-C477 CarbonylContact O-C 3.5Å; L471-C477 WeakPolarHBondContact O-CA 3.13Å; L471-C477 VanDerWaalsContact O-CB 3.26Å; L471-C477 WeakPolarHBondContact O-CB 3.35Å; L471-E478 HydrophobicContact CB-CB 4.19Å; L471-E478 HydrophobicContact CD1-CB 4.35Å; L471-E478 PolarHBondContact N-O 3.43Å; L471-E478 PolarHBondContact O-N 2.94Å; L471-V480 HydrophobicContact CD1-CG2 4.38Å; L471-F491 HydrophobicContact CD1-CE1 3.93Å; L471-F491 HydrophobicContact CD1-CZ 4.08Å; L471-F491 HydrophobicContact CD2-CE1 3.76Å; L471-F491 HydrophobicContact CD2-CZ 4.04Å; L471-F491 HydrophobicContact CG-CE1 4.37Å; L471-F491 HydrophobicContact CG-CZ 4.38Å; L471-H497 HydrophobicContact CD1-CB 3.63Å; L471-V499 HydrophobicContact CD2-CG2 3.94Å; L471-L504 HydrophobicContact CD2-CB 4.26Å
472	L	96.6	Very high	96.4	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.031	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135	-178.7	-58.2	177.9	0	0	0	109.8	L445 I470 C477 S500 Q502 G503 I505 Y543 V597	L445-L472 HydrophobicContact CD2-CD2 4.3Å; I470-L472 HydrophobicContact CG2-CD2 4.03Å; L472-C477 HydrophobicContact CD2-CB 4.41Å; L472-S500 WeakPolarHBondContact O-CB 3.33Å; L472-S500 PolarHBondContact O-OG 2.74Å; L472-Q502 HydrophobicContact CB-CB 3.9Å; L472-Q502 WeakPolarHBondContact CD1-O 3.32Å; L472-G503 PolarHBondContact N-O 2.76Å; L472-I505 HydrophobicContact CD1-CD1 4.32Å; L472-I505 HydrophobicContact CD1-CG1 4.26Å; L472-I505 HydrophobicContact CD2-CD1 4.28Å; L472-Y543 HydrophobicContact CD1-CD2 4.32Å; L472-Y543 HydrophobicContact CD1-CE2 3.83Å; L472-V597 HydrophobicContact CD1-CG1 4.21Å; L472-V597 HydrophobicContact CD2-CG1 4.02Å
473	R	94	Very high	96.4	Very high	65 Å²	65	16.4 Å²	16.4	25%	0.245	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	32.7	-180	-52.3	-71.7	-169.2	-174.8	-3.3	111.7	S475 H476 E478 D498 S500	R473-S475 PolarHBondContact O-N 3.37Å; R473-H476 CarbonylContact C-O 3.56Å; R473-H476 VanDerWaalsContact CA-O 3.29Å; R473-H476 WeakPolarHBondContact CA-O 3.25Å; R473-H476 VanDerWaalsContact CB-CE1 3.46Å; R473-H476 WeakPolarHBondContact CB-CE1 3.46Å; R473-H476 WeakPolarHBondContact CB-NE2 3.36Å; R473-H476 VanDerWaalsContact CB-O 3.28Å; R473-H476 WeakPolarHBondContact CB-O 3.43Å; R473-H476 PolarHBondContact N-O 2.87Å; R473-E478 IonicContact CZ-OE2 3.87Å; R473-E478 IonicContact NE-OE2 2.91Å; R473-E478 PolarHBondContact NE-OE2 3.01Å; R473-E478 IonicContact NH2-OE2 3.03Å; R473-E478 PolarHBondContact NH2-OE2 3Å; R473-D498 VanDerWaalsContact CZ-O 3.31Å; R473-D498 PolarHBondContact NH1-O 2.77Å; R473-D498 PolarHBondContact NH2-O 3.41Å; R473-S500 VanDerWaalsContact NH1-CB 3.31Å
474	G	88.9	Confident	96.5	Very high	35 Å²	35	15.6 Å²	15.6	36%	0.361	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-100.5	-177.1	0	0	0	0	0	112.1	T442 H476	T442-G474 PolarHBondContact OG1-O 3.26Å; G474-H476 VanDerWaalsContact C-N 3.3Å; G474-H476 PolarHBondContact O-N 3.47Å
475	S	87.9	Confident	96.5	Very high	63 Å²	63	14.5 Å²	14.5	44%	0.441	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.3	-176.3	59.9	0	0	0	0	114.4	T442 R473 Q625	T442-S475 PolarHBondContact N-O 2.89Å; T442-S475 VanDerWaalsContact N-O 3.08Å; T442-S475 PolarHBondContact OG1-O 3.1Å; R473-S475 PolarHBondContact O-N 3.37Å; S475-Q625 PolarHBondContact O-NE2 2.77Å
476	H	93.3	Very high	96.4	Very high	40 Å²	40	16.3 Å²	16.3	19%	0.185	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	168.1	174.6	63.7	-72.6	0	0	0	110.7	R439 L440 T442 R473 G474	R439-H476 PolarHBondContact NE-CD2 2.79Å; R439-H476 PolarHBondContact NH2-NE2 2.95Å; L440-H476 CarbonylContact O-C 3.53Å; L440-H476 VanDerWaalsContact O-CA 3.25Å; L440-H476 WeakPolarHBondContact O-CA 3.36Å; L440-H476 VanDerWaalsContact O-CB 3.3Å; L440-H476 WeakPolarHBondContact O-CB 3.48Å; T442-H476 WeakPolarHBondContact OG1-CA 3.49Å; T442-H476 PolarHBondContact OG1-N 3.29Å; T442-H476 PolarHBondContact OG1-O 2.71Å; R473-H476 CarbonylContact C-O 3.56Å; R473-H476 VanDerWaalsContact CA-O 3.29Å; R473-H476 WeakPolarHBondContact CA-O 3.25Å; R473-H476 VanDerWaalsContact CB-CE1 3.46Å; R473-H476 WeakPolarHBondContact CB-CE1 3.46Å; R473-H476 WeakPolarHBondContact CB-NE2 3.36Å; R473-H476 VanDerWaalsContact CB-O 3.28Å; R473-H476 WeakPolarHBondContact CB-O 3.43Å; R473-H476 PolarHBondContact N-O 2.87Å; G474-H476 VanDerWaalsContact C-N 3.3Å; G474-H476 PolarHBondContact O-N 3.47Å
477	C	95.7	Very high	96.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.1	170.6	60.4	0	0	0	0	111	L440 I470 L471 L472	L440-C477 PolarHBondContact N-O 3.34Å; L440-C477 PolarHBondContact O-N 3.24Å; I470-C477 HydrophobicContact CG2-CB 4.13Å; L471-C477 CarbonylContact O-C 3.5Å; L471-C477 WeakPolarHBondContact O-CA 3.13Å; L471-C477 VanDerWaalsContact O-CB 3.26Å; L471-C477 WeakPolarHBondContact O-CB 3.35Å; L472-C477 HydrophobicContact CD2-CB 4.41Å
478	E	97.7	Very high	96.3	Very high	42 Å²	42	16.4 Å²	16.4	20%	0.196	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.8	173.3	-61.2	170.4	149.7	0	0	108.5	I470 L471 R473	I470-E478 WeakPolarHBondContact CA-O 3.44Å; L471-E478 HydrophobicContact CB-CB 4.19Å; L471-E478 HydrophobicContact CD1-CB 4.35Å; L471-E478 PolarHBondContact N-O 3.43Å; L471-E478 PolarHBondContact O-N 2.94Å; R473-E478 IonicContact CZ-OE2 3.87Å; R473-E478 IonicContact NE-OE2 2.91Å; R473-E478 PolarHBondContact NE-OE2 3.01Å; R473-E478 IonicContact NH2-OE2 3.03Å; R473-E478 PolarHBondContact NH2-OE2 3Å
479	Y	98.3	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.6	-177.6	-160.3	-79.1	0	0	0	109.9	S437 T438 L440 L445 W448 I449 R452 D468 I470 E481 L507	S437-Y479 CarbonylContact C-O 3.57Å; S437-Y479 VanDerWaalsContact CA-O 3.25Å; S437-Y479 WeakPolarHBondContact CA-O 3.34Å; T438-Y479 PolarHBondContact N-O 3.11Å; T438-Y479 PolarHBondContact O-N 2.69Å; L440-Y479 HydrophobicContact CD1-CD2 4.34Å; L440-Y479 HydrophobicContact CD1-CG 4.44Å; L445-Y479 HydrophobicContact CD1-CD2 4.38Å; W448-Y479 AromaticContact CD1-CD1 3.8Å; W448-Y479 AromaticContact CD1-CD2 3.35Å; W448-Y479 AromaticContact CD1-CE1 3.86Å; W448-Y479 AromaticContact CD1-CE2 3.45Å; W448-Y479 VanDerWaalsContact CD1-CE2 3.45Å; W448-Y479 AromaticContact CD1-CG 3.55Å; W448-Y479 AromaticContact CD1-CZ 3.71Å; W448-Y479 HydrophobicContact CG-CD2 4.41Å; W448-Y479 AromaticContact NE1-CD1 3.32Å; W448-Y479 VanDerWaalsContact NE1-CD1 3.32Å; W448-Y479 AromaticContact NE1-CD2 3.77Å; W448-Y479 AromaticContact NE1-CE1 3.56Å; W448-Y479 AromaticContact NE1-CG 3.43Å; W448-Y479 AromaticContact NE1-CZ 3.92Å; I449-Y479 HydrophobicContact CG1-CE2 4.14Å; R452-Y479 HydrophobicContact CG-CE1 3.85Å; D468-Y479 HydrophobicContact CB-CE1 3.57Å; D468-Y479 WeakPolarHBondContact CB-OH 3.3Å; D468-Y479 WeakPolarHBondContact OD2-CE1 3.31Å; D468-Y479 PolarHBondContact OD2-OH 3.42Å; D468-Y479 VanDerWaalsContact OD2-OH 3.05Å; I470-Y479 HydrophobicContact CD1-CD2 4.34Å; I470-Y479 HydrophobicContact CD1-CE2 3.84Å; I470-Y479 HydrophobicContact CG1-CD2 3.52Å; I470-Y479 HydrophobicContact CG1-CE2 3.45Å; I470-Y479 VanDerWaalsContact CG1-CE2 3.45Å; I470-Y479 HydrophobicContact CG1-CG 4.45Å; Y479-E481 HydrophobicContact CD1-CG 3.74Å; Y479-E481 HydrophobicContact CE1-CG 3.82Å; Y479-L507 WeakPolarHBondContact OH-CD2 3.42Å
480	V	98.4	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.2	-177.3	-176	0	0	0	0	109.1	W435 D468 V469 L471 F491	W435-V480 HydrophobicContact CB-CG1 4.38Å; W435-V480 HydrophobicContact CG-CG1 3.91Å; D468-V480 CarbonylContact C-O 3.54Å; D468-V480 WeakPolarHBondContact CA-O 3.2Å; V469-V480 HydrophobicContact CB-CB 4.31Å; V469-V480 PolarHBondContact N-O 3.36Å; V469-V480 WeakPolarHBondContact O-CB 3.09Å; V469-V480 PolarHBondContact O-N 2.68Å; L471-V480 HydrophobicContact CD1-CG2 4.38Å; V480-F491 HydrophobicContact CB-CZ 4.45Å; V480-F491 HydrophobicContact CG1-CE2 4.23Å; V480-F491 HydrophobicContact CG1-CZ 4.42Å; V480-F491 HydrophobicContact CG2-CZ 4.15Å
481	E	97.6	Very high	96.2	Very high	42 Å²	42	24.7 Å²	24.7	20%	0.196	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.5	-172.8	-62.2	177.7	-178.9	0	0	112.7	R424 W435 R452 D468 Y479 F483	R424-E481 PolarHBondContact NH1-O 3Å; W435-E481 PolarHBondContact NE1-O 2.85Å; R452-E481 IonicContact CZ-OE2 3.94Å; R452-E481 IonicContact NE-OE1 2.94Å; R452-E481 IonicContact NH1-OE2 3.82Å; D468-E481 WeakPolarHBondContact OD1-CA 3.31Å; Y479-E481 HydrophobicContact CD1-CG 3.74Å; Y479-E481 HydrophobicContact CE1-CG 3.82Å; E481-F483 PolarHBondContact O-N 3.23Å
482	E	97.2	Very high	96.1	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.5	41.7	167.5	-52.9	-177.3	160.6	0	0	115.6	R420 W435 G458 P459 G467 D468	R420-E482 IonicContact CZ-OE1 2.69Å; R420-E482 IonicContact CZ-OE2 2.99Å; R420-E482 IonicContact NE-OE2 4Å; R420-E482 PolarHBondContact NE-OE2 3.26Å; R420-E482 IonicContact NH2-OE1 3.79Å; R420-E482 PolarHBondContact NH2-OE1 2.99Å; R420-E482 IonicContact NH2-OE2 2.99Å; R420-E482 PolarHBondContact NH2-OE2 3.29Å; W435-E482 VanDerWaalsContact CZ2-O 3.28Å; W435-E482 WeakPolarHBondContact CZ2-O 3.47Å; G458-E482 WeakPolarHBondContact CA-OE1 3.17Å; P459-E482 HydrophobicContact CG-CG 4.17Å; G467-E482 CarbonylContact O-C 3.51Å; G467-E482 WeakPolarHBondContact O-CA 3.34Å; G467-E482 PolarHBondContact O-N 2.83Å; D468-E482 PolarHBondContact OD1-N 3.35Å
483	F	98.4	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	152.7	174.9	-169.2	-98.6	0	0	0	112.2	W435 L466 G467 V469 E481 L485 A487 L488 F491 L494	W435-F483 HydrophobicContact CD2-CD2 4.22Å; W435-F483 HydrophobicContact CE3-CD2 4.1Å; W435-F483 HydrophobicContact CE3-CE2 4.26Å; W435-F483 HydrophobicContact CH2-CD2 4.09Å; W435-F483 HydrophobicContact CZ2-CD2 4.22Å; W435-F483 HydrophobicContact CZ3-CD2 4.02Å; W435-F483 HydrophobicContact CZ3-CE2 4.13Å; L466-F483 WeakPolarHBondContact CA-O 3.25Å; G467-F483 PolarHBondContact N-O 3.44Å; G467-F483 PolarHBondContact O-N 2.94Å; V469-F483 HydrophobicContact CG2-CB 3.86Å; V469-F483 HydrophobicContact CG2-CD1 4.3Å; V469-F483 HydrophobicContact CG2-CG 4.3Å; E481-F483 PolarHBondContact O-N 3.23Å; F483-L485 PolarHBondContact O-N 2.98Å; F483-A487 HydrophobicContact CE1-CB 4.34Å; F483-A487 HydrophobicContact CZ-CB 4.36Å; F483-L488 HydrophobicContact CD1-CD1 4.43Å; F483-L488 HydrophobicContact CE1-CD1 4.49Å; F483-F491 AromaticContact CD1-CD2 3.82Å; F483-F491 HydrophobicContact CD1-CD2 3.82Å; F483-F491 HydrophobicContact CD1-CE2 4.42Å; F483-F491 AromaticContact CD2-CD2 3.84Å; F483-F491 HydrophobicContact CD2-CD2 3.84Å; F483-F491 HydrophobicContact CD2-CE2 4Å; F483-F491 HydrophobicContact CE1-CB 4.28Å; F483-F491 AromaticContact CE1-CD2 3.76Å; F483-F491 HydrophobicContact CE1-CD2 3.76Å; F483-F491 AromaticContact CE2-CD2 3.77Å; F483-F491 HydrophobicContact CE2-CD2 3.77Å; F483-F491 HydrophobicContact CE2-CE2 4.31Å; F483-F491 AromaticContact CG-CD2 3.87Å; F483-F491 HydrophobicContact CG-CD2 3.87Å; F483-F491 HydrophobicContact CG-CE2 4.07Å; F483-F491 HydrophobicContact CZ-CB 4.19Å; F483-F491 AromaticContact CZ-CD2 3.75Å; F483-F491 HydrophobicContact CZ-CD2 3.75Å; F483-F491 HydrophobicContact CZ-CG 4.41Å; F483-L494 HydrophobicContact CE2-CB 4.23Å; F483-L494 HydrophobicContact CZ-CB 4.3Å; F483-L494 HydrophobicContact CZ-CD1 4.32Å
484	L	97.9	Very high	96.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	100.3	178.6	-65.2	161.6	0	0	0	110.5	W383 Y384 A421 V425 L466 Q486 A487 L488	W383-L484 HydrophobicContact CB-CD1 3.95Å; Y384-L484 HydrophobicContact CD2-CD2 4.16Å; Y384-L484 HydrophobicContact CE2-CD2 3.45Å; Y384-L484 VanDerWaalsContact CE2-CD2 3.45Å; A421-L484 HydrophobicContact CB-CD1 4.18Å; A421-L484 HydrophobicContact CB-CD2 3.85Å; A421-L484 HydrophobicContact CB-CG 3.94Å; V425-L484 HydrophobicContact CG2-CD1 4.14Å; L466-L484 HydrophobicContact CD2-CD2 3.66Å; L466-L484 HydrophobicContact CD2-CG 4.28Å; L484-Q486 VanDerWaalsContact C-N 3.28Å; L484-Q486 PolarHBondContact O-N 3.26Å; L484-A487 HydrophobicContact CB-CB 3.93Å; L484-A487 CarbonylContact O-C 3.59Å; L484-A487 WeakPolarHBondContact O-CA 3.46Å; L484-A487 WeakPolarHBondContact O-CB 3.42Å; L484-A487 PolarHBondContact O-N 3.19Å; L484-L488 PolarHBondContact O-N 3.27Å
485	L	97.5	Very high	96.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-58.9	-38.6	-171.8	-65.4	-179.7	0	0	0	113	T465 F483 A487 L488 V506 V508 L562	T465-L485 PolarHBondContact O-N 2.78Å; F483-L485 PolarHBondContact O-N 2.98Å; L485-A487 PolarHBondContact O-N 3.09Å; L485-A487 VanDerWaalsContact O-N 3.16Å; L485-L488 VanDerWaalsContact O-CB 3.25Å; L485-L488 WeakPolarHBondContact O-CB 3.43Å; L485-L488 PolarHBondContact O-N 2.78Å; L485-L488 VanDerWaalsContact O-N 3.14Å; L485-V506 HydrophobicContact CD2-CG1 3.5Å; L485-V506 VanDerWaalsContact CD2-CG1 3.5Å; L485-V508 HydrophobicContact CD1-CB 4.22Å; L485-V508 HydrophobicContact CD1-CG1 3.59Å; L485-V508 HydrophobicContact CD1-CG2 3.63Å; L485-V508 HydrophobicContact CD2-CG2 4.17Å; L485-L562 HydrophobicContact CB-CD2 4.16Å; L485-L562 HydrophobicContact CD2-CD1 4.48Å; L485-L562 HydrophobicContact CD2-CD2 4.47Å
486	Q	95	Very high	97.2	Very high	43 Å²	43	21 Å²	21	20%	0.201	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-67.8	-14.8	177.7	-61.2	-166.8	58.7	0	0	113.2	A382 R402 L484	A382-Q486 HydrophobicContact CB-CB 4.01Å; A382-Q486 WeakPolarHBondContact CB-O 3.26Å; R402-Q486 VanDerWaalsContact CZ-OE1 3.31Å; R402-Q486 PolarHBondContact O-NE2 3.41Å; R402-Q486 VanDerWaalsContact O-NE2 3.17Å; L484-Q486 VanDerWaalsContact C-N 3.28Å; L484-Q486 PolarHBondContact O-N 3.26Å
487	A	97.1	Very high	97.4	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.017	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-101.7	9.8	177.7	0	0	0	0	0	112.9	A382 W383 F483 L484 L485 P489 R490 F491 L494	A382-A487 HydrophobicContact CB-CB 3.71Å; W383-A487 HydrophobicContact CE3-CB 4.19Å; F483-A487 HydrophobicContact CE1-CB 4.34Å; F483-A487 HydrophobicContact CZ-CB 4.36Å; L484-A487 HydrophobicContact CB-CB 3.93Å; L484-A487 CarbonylContact O-C 3.59Å; L484-A487 WeakPolarHBondContact O-CA 3.46Å; L484-A487 WeakPolarHBondContact O-CB 3.42Å; L484-A487 PolarHBondContact O-N 3.19Å; L485-A487 PolarHBondContact O-N 3.09Å; L485-A487 VanDerWaalsContact O-N 3.16Å; A487-P489 VanDerWaalsContact C-N 3.32Å; A487-R490 CarbonylContact O-C 3.56Å; A487-R490 WeakPolarHBondContact O-CA 3.4Å; A487-R490 PolarHBondContact O-N 2.88Å; A487-F491 PolarHBondContact O-N 3.04Å; A487-L494 HydrophobicContact CB-CD1 3.66Å
488	L	97.5	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-52.9	-37.4	-178.8	-167.9	65.6	0	0	0	114.5	V469 F483 L484 L485 R490 F491 L504 V506 L547 P548 L562	V469-L488 HydrophobicContact CG2-CD1 4.23Å; F483-L488 HydrophobicContact CD1-CD1 4.43Å; F483-L488 HydrophobicContact CE1-CD1 4.49Å; L484-L488 PolarHBondContact O-N 3.27Å; L485-L488 VanDerWaalsContact O-CB 3.25Å; L485-L488 WeakPolarHBondContact O-CB 3.43Å; L485-L488 PolarHBondContact O-N 2.78Å; L485-L488 VanDerWaalsContact O-N 3.14Å; L488-R490 PolarHBondContact O-N 3.1Å; L488-F491 HydrophobicContact CD1-CB 4.33Å; L488-F491 HydrophobicContact CD1-CD2 4.45Å; L488-F491 WeakPolarHBondContact O-CB 3.38Å; L488-F491 PolarHBondContact O-N 3.21Å; L488-L504 HydrophobicContact CD1-CD1 4.33Å; L488-V506 HydrophobicContact CD1-CG2 4.47Å; L488-V506 HydrophobicContact CD2-CG2 4.13Å; L488-L547 HydrophobicContact CD1-CD2 4.18Å; L488-L547 HydrophobicContact CG-CD2 4.32Å; L488-P548 HydrophobicContact CD2-CG 3.78Å; L488-L562 HydrophobicContact CD2-CD2 3.94Å
489	P	97.4	Very high	97.2	Very high	36 Å²	36	24.3 Å²	24.3	23%	0.234	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-61.4	-17.7	174.1	-23.2	33.3	0	0	0	114.6	A487 P548 A550 M553	A487-P489 VanDerWaalsContact C-N 3.32Å; P489-P548 VanDerWaalsContact CA-O 3.25Å; P489-P548 WeakPolarHBondContact CA-O 3.33Å; P489-P548 WeakPolarHBondContact CB-O 3.49Å; P489-P548 WeakPolarHBondContact CG-O 3.34Å; P489-A550 HydrophobicContact CB-CB 4.48Å; P489-M553 HydrophobicContact CG-CB 4.5Å; P489-M553 HydrophobicContact CG-CG 3.44Å; P489-M553 VanDerWaalsContact CG-CG 3.44Å
490	R	97.3	Very high	96.9	Very high	141 Å²	141	25.5 Å²	25.5	53%	0.532	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-109.3	13.2	178.8	-63.6	-61.1	-61.7	-146	-4.4	111.9	W383 A487 L488 S492 S493 L494	W383-R490 HydrophobicContact CZ3-CB 4.47Å; W383-R490 HydrophobicContact CZ3-CG 4.06Å; A487-R490 CarbonylContact O-C 3.56Å; A487-R490 WeakPolarHBondContact O-CA 3.4Å; A487-R490 PolarHBondContact O-N 2.88Å; L488-R490 PolarHBondContact O-N 3.1Å; R490-S492 PolarHBondContact O-N 3.14Å; R490-S493 PolarHBondContact NE-OG 2.84Å; R490-S493 VanDerWaalsContact NE-OG 3.08Å; R490-S493 PolarHBondContact O-N 3.42Å; R490-S493 VanDerWaalsContact O-N 3.09Å; R490-S493 PolarHBondContact O-OG 3.04Å; R490-L494 HydrophobicContact CB-CD1 3.81Å; R490-L494 HydrophobicContact CB-CG 4.11Å; R490-L494 WeakPolarHBondContact O-CG 3.49Å; R490-L494 PolarHBondContact O-N 3.39Å
491	F	98.1	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-45.1	-61.1	-174.3	175.6	-99.6	0	0	0	112.3	V469 L471 V480 F483 A487 L488 S493 L494 S495 H497 V499 L547	V469-F491 HydrophobicContact CB-CE2 3.93Å; V469-F491 HydrophobicContact CB-CZ 4.34Å; V469-F491 HydrophobicContact CG1-CD2 4.41Å; V469-F491 HydrophobicContact CG1-CE2 3.79Å; V469-F491 HydrophobicContact CG1-CZ 3.86Å; V469-F491 HydrophobicContact CG2-CD2 4.4Å; V469-F491 HydrophobicContact CG2-CE2 4.07Å; L471-F491 HydrophobicContact CD1-CE1 3.93Å; L471-F491 HydrophobicContact CD1-CZ 4.08Å; L471-F491 HydrophobicContact CD2-CE1 3.76Å; L471-F491 HydrophobicContact CD2-CZ 4.04Å; L471-F491 HydrophobicContact CG-CE1 4.37Å; L471-F491 HydrophobicContact CG-CZ 4.38Å; V480-F491 HydrophobicContact CB-CZ 4.45Å; V480-F491 HydrophobicContact CG1-CE2 4.23Å; V480-F491 HydrophobicContact CG1-CZ 4.42Å; V480-F491 HydrophobicContact CG2-CZ 4.15Å; F483-F491 AromaticContact CD1-CD2 3.82Å; F483-F491 HydrophobicContact CD1-CD2 3.82Å; F483-F491 HydrophobicContact CD1-CE2 4.42Å; F483-F491 AromaticContact CD2-CD2 3.84Å; F483-F491 HydrophobicContact CD2-CD2 3.84Å; F483-F491 HydrophobicContact CD2-CE2 4Å; F483-F491 HydrophobicContact CE1-CB 4.28Å; F483-F491 AromaticContact CE1-CD2 3.76Å; F483-F491 HydrophobicContact CE1-CD2 3.76Å; F483-F491 AromaticContact CE2-CD2 3.77Å; F483-F491 HydrophobicContact CE2-CD2 3.77Å; F483-F491 HydrophobicContact CE2-CE2 4.31Å; F483-F491 AromaticContact CG-CD2 3.87Å; F483-F491 HydrophobicContact CG-CD2 3.87Å; F483-F491 HydrophobicContact CG-CE2 4.07Å; F483-F491 HydrophobicContact CZ-CB 4.19Å; F483-F491 AromaticContact CZ-CD2 3.75Å; F483-F491 HydrophobicContact CZ-CD2 3.75Å; F483-F491 HydrophobicContact CZ-CG 4.41Å; A487-F491 PolarHBondContact O-N 3.04Å; L488-F491 HydrophobicContact CD1-CB 4.33Å; L488-F491 HydrophobicContact CD1-CD2 4.45Å; L488-F491 WeakPolarHBondContact O-CB 3.38Å; L488-F491 PolarHBondContact O-N 3.21Å; F491-S493 VanDerWaalsContact C-N 3.3Å; F491-S493 PolarHBondContact O-N 3.09Å; F491-L494 PolarHBondContact O-N 3.04Å; F491-S495 WeakPolarHBondContact CE1-OG 3.23Å; F491-S495 WeakPolarHBondContact CZ-OG 3.42Å; F491-S495 WeakPolarHBondContact O-CB 3.46Å; F491-S495 PolarHBondContact O-N 2.55Å; F491-S495 PolarHBondContact O-OG 3.01Å; F491-H497 HydrophobicContact CE1-CB 3.78Å; F491-H497 WeakPolarHBondContact CE1-O 3.44Å; F491-H497 HydrophobicContact CZ-CB 4.03Å; F491-V499 HydrophobicContact CD1-CG2 4.1Å; F491-V499 HydrophobicContact CE1-CG2 4.37Å; F491-L547 HydrophobicContact CB-CD1 4.09Å; F491-L547 HydrophobicContact CB-CD2 3.85Å; F491-L547 HydrophobicContact CD1-CD2 4.33Å; F491-L547 HydrophobicContact CG-CD2 4.29Å
492	S	97.1	Very high	96.3	Very high	27 Å²	27	33.4 Å²	33.4	19%	0.189	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-37.9	-176.6	-54	0	0	0	0	113.4	R490 L494 G496 H497	R490-S492 PolarHBondContact O-N 3.14Å; S492-L494 VanDerWaalsContact C-N 3.28Å; S492-L494 PolarHBondContact O-N 3.07Å; S492-G496 WeakPolarHBondContact O-CA 3.46Å; S492-G496 PolarHBondContact O-N 3.01Å; S492-H497 WeakPolarHBondContact CA-O 3.41Å; S492-H497 WeakPolarHBondContact CB-O 3.49Å; S492-H497 PolarHBondContact OG-O 2.81Å
493	S	96.9	Very high	96.3	Very high	54 Å²	54	33.3 Å²	33.3	38%	0.378	19%	0.185	S	C	.	.	H	α-helix	trans	-71.4	-19.3	177.4	70.9	0	0	0	0	114.5	Y428 R490 F491	Y428-S493 WeakPolarHBondContact CD1-O 3.4Å; Y428-S493 VanDerWaalsContact CE1-O 3.3Å; Y428-S493 WeakPolarHBondContact CE1-O 3.19Å; R490-S493 PolarHBondContact NE-OG 2.84Å; R490-S493 VanDerWaalsContact NE-OG 3.08Å; R490-S493 PolarHBondContact O-N 3.42Å; R490-S493 VanDerWaalsContact O-N 3.09Å; R490-S493 PolarHBondContact O-OG 3.04Å; F491-S493 VanDerWaalsContact C-N 3.3Å; F491-S493 PolarHBondContact O-N 3.09Å
494	L	97.8	Very high	96.3	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-104.6	-27.6	-179.2	-67.1	174.5	0	0	0	112.5	W383 V425 F483 A487 R490 F491 S492	W383-L494 HydrophobicContact CB-CD1 4.23Å; W383-L494 HydrophobicContact CD2-CD1 4.17Å; W383-L494 HydrophobicContact CD2-CD2 4.22Å; W383-L494 HydrophobicContact CE3-CD1 3.8Å; W383-L494 HydrophobicContact CG-CD1 4.38Å; W383-L494 HydrophobicContact CG-CD2 4.19Å; V425-L494 HydrophobicContact CG1-CD2 3.81Å; V425-L494 HydrophobicContact CG2-CD2 4.37Å; F483-L494 HydrophobicContact CE2-CB 4.23Å; F483-L494 HydrophobicContact CZ-CB 4.3Å; F483-L494 HydrophobicContact CZ-CD1 4.32Å; A487-L494 HydrophobicContact CB-CD1 3.66Å; R490-L494 HydrophobicContact CB-CD1 3.81Å; R490-L494 HydrophobicContact CB-CG 4.11Å; R490-L494 WeakPolarHBondContact O-CG 3.49Å; R490-L494 PolarHBondContact O-N 3.39Å; F491-L494 PolarHBondContact O-N 3.04Å; S492-L494 VanDerWaalsContact C-N 3.28Å; S492-L494 PolarHBondContact O-N 3.07Å
495	S	97.9	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-103.8	-24.6	-174.7	75.9	0	0	0	0	113.6	W435 F491 H497	W435-S495 WeakPolarHBondContact CB-O 3.16Å; W435-S495 PolarHBondContact N-O 2.97Å; F491-S495 WeakPolarHBondContact CE1-OG 3.23Å; F491-S495 WeakPolarHBondContact CZ-OG 3.42Å; F491-S495 WeakPolarHBondContact O-CB 3.46Å; F491-S495 PolarHBondContact O-N 2.55Å; F491-S495 PolarHBondContact O-OG 3.01Å; S495-H497 VanDerWaalsContact C-N 3.26Å; S495-H497 PolarHBondContact O-CD2 2.87Å; S495-H497 PolarHBondContact OG-N 3.21Å
496	G	97.3	Very high	96.4	Very high	4 Å²	4	33.2 Å²	33.2	4%	0.041	18%	0.184	C	C	.	.	S	Bend	trans	75	14.9	-172.1	0	0	0	0	0	114.6	Y428 K434 S492	Y428-G496 WeakPolarHBondContact OH-CA 3.37Å; K434-G496 WeakPolarHBondContact CD-O 3.24Å; K434-G496 VanDerWaalsContact CE-O 3.23Å; K434-G496 WeakPolarHBondContact CE-O 3.35Å; K434-G496 PolarHBondContact NZ-O 3.37Å; S492-G496 WeakPolarHBondContact O-CA 3.46Å; S492-G496 PolarHBondContact O-N 3.01Å
497	H	97.3	Very high	96.5	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.046	18%	0.177	C	C	.	.			trans	-113.2	129.2	176.7	-62	-73.1	0	0	0	111.5	W435 S437 L471 F491 S492 S495	W435-H497 PolarHBondContact O-NE2 2.79Å; S437-H497 PolarHBondContact OG-CE1 3.06Å; S437-H497 VanDerWaalsContact OG-CE1 3.25Å; L471-H497 HydrophobicContact CD1-CB 3.63Å; F491-H497 HydrophobicContact CE1-CB 3.78Å; F491-H497 WeakPolarHBondContact CE1-O 3.44Å; F491-H497 HydrophobicContact CZ-CB 4.03Å; S492-H497 WeakPolarHBondContact CA-O 3.41Å; S492-H497 WeakPolarHBondContact CB-O 3.49Å; S492-H497 PolarHBondContact OG-O 2.81Å; S495-H497 VanDerWaalsContact C-N 3.26Å; S495-H497 PolarHBondContact O-CD2 2.87Å; S495-H497 PolarHBondContact OG-N 3.21Å
498	D	94.7	Very high	96.6	Very high	104 Å²	104	31.5 Å²	31.5	56%	0.556	18%	0.176	S	C	*	.	P	Polyproline II helix	trans	-87.4	150.9	178.5	-61	-48.5	0	0	0	111.2	R473	R473-D498 VanDerWaalsContact CZ-O 3.31Å; R473-D498 PolarHBondContact NH1-O 2.77Å; R473-D498 PolarHBondContact NH2-O 3.41Å
499	V	94.6	Very high	96.6	Very high	37 Å²	37	31.9 Å²	31.9	22%	0.224	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-93.4	133.1	174	-178.9	0	0	0	0	109.3	L471 F491 L504 L547	L471-V499 HydrophobicContact CD2-CG2 3.94Å; F491-V499 HydrophobicContact CD1-CG2 4.1Å; F491-V499 HydrophobicContact CE1-CG2 4.37Å; V499-L504 HydrophobicContact CG1-CD2 3.99Å; V499-L547 HydrophobicContact CB-CG 4.26Å; V499-L547 HydrophobicContact CG2-CD1 3.8Å; V499-L547 HydrophobicContact CG2-CD2 3.65Å; V499-L547 HydrophobicContact CG2-CG 3.52Å
500	S	92.1	Very high	96.5	Very high	25 Å²	25	30.6 Å²	30.6	18%	0.175	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-83.1	171.7	179.1	92.4	0	0	0	0	111.8	L472 R473 Q502 G503	L472-S500 WeakPolarHBondContact O-CB 3.33Å; L472-S500 PolarHBondContact O-OG 2.74Å; R473-S500 VanDerWaalsContact NH1-CB 3.31Å; S500-Q502 PolarHBondContact O-N 3.43Å; S500-Q502 WeakPolarHBondContact OG-CB 3.4Å; S500-Q502 PolarHBondContact OG-N 2.93Å; S500-G503 PolarHBondContact O-N 3.34Å
501	S	91.3	Very high	96.4	Very high	114 Å²	114	26.1 Å²	26.1	80%	0.797	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.2	170.7	57.5	0	0	0	0	114.4	G503	S501-G503 VanDerWaalsContact C-N 3.27Å
502	Q	92.7	Very high	96	Very high	95 Å²	95	27.1 Å²	27.1	44%	0.444	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.2	175.9	-54.6	-68.5	-69.2	0	0	112.7	L472 S500	L472-Q502 HydrophobicContact CB-CB 3.9Å; L472-Q502 WeakPolarHBondContact CD1-O 3.32Å; S500-Q502 PolarHBondContact O-N 3.43Å; S500-Q502 WeakPolarHBondContact OG-CB 3.4Å; S500-Q502 PolarHBondContact OG-N 2.93Å
503	G	96.1	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.			trans	79.6	-165.6	177.3	0	0	0	0	0	114.9	L472 S500 S501 Y544 D545	L472-G503 PolarHBondContact N-O 2.76Å; S500-G503 PolarHBondContact O-N 3.34Å; S501-G503 VanDerWaalsContact C-N 3.27Å; G503-Y544 CarbonylContact C-O 3.3Å; G503-Y544 WeakPolarHBondContact CA-O 3.35Å; G503-D545 WeakPolarHBondContact CA-O 3.29Å
504	L	98	Very high	94.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.5	-177.8	70.3	159.5	0	0	0	112	V469 I470 L471 L488 V499 V506 Y543 Y544 L547	V469-L504 HydrophobicContact CG1-CD1 3.96Å; I470-L504 CarbonylContact O-C 3.43Å; I470-L504 VanDerWaalsContact O-CA 3.23Å; I470-L504 WeakPolarHBondContact O-CA 3.29Å; I470-L504 WeakPolarHBondContact O-CB 3.27Å; L471-L504 HydrophobicContact CD2-CB 4.26Å; L488-L504 HydrophobicContact CD1-CD1 4.33Å; V499-L504 HydrophobicContact CG1-CD2 3.99Å; L504-V506 HydrophobicContact CD1-CG2 3.88Å; L504-V506 HydrophobicContact CG-CG2 4.47Å; L504-Y543 WeakPolarHBondContact O-CD2 3.37Å; L504-Y544 PolarHBondContact N-O 2.75Å; L504-Y544 PolarHBondContact O-N 3.17Å; L504-L547 HydrophobicContact CD1-CD2 3.87Å; L504-L547 HydrophobicContact CD2-CD2 4.44Å
505	I	98.6	Very high	94.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.7	167.9	-58.1	168.5	0	0	0	108.2	I470 L472 L541 Y542 Y543 F592 L593 C596	I470-I505 HydrophobicContact CB-CB 4.13Å; I470-I505 HydrophobicContact CD1-CB 3.94Å; I470-I505 HydrophobicContact CD1-CG2 3.93Å; I470-I505 PolarHBondContact N-O 2.88Å; I470-I505 PolarHBondContact O-N 2.71Å; L472-I505 HydrophobicContact CD1-CD1 4.32Å; L472-I505 HydrophobicContact CD1-CG1 4.26Å; L472-I505 HydrophobicContact CD2-CD1 4.28Å; I505-L541 HydrophobicContact CG2-CB 4.03Å; I505-L541 HydrophobicContact CG2-CD2 4.05Å; I505-L541 HydrophobicContact CG2-CG 4.42Å; I505-Y542 CarbonylContact C-O 3.5Å; I505-Y542 VanDerWaalsContact CA-O 3.27Å; I505-Y542 WeakPolarHBondContact CA-O 3.42Å; I505-Y543 HydrophobicContact CG1-CD2 3.87Å; I505-F592 HydrophobicContact CG2-CE1 4.45Å; I505-L593 HydrophobicContact CD1-CD2 3.76Å; I505-C596 HydrophobicContact CD1-CB 4.1Å
506	V	98.8	Very high	93.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.8	174.7	-170.6	0	0	0	0	109.1	D468 V469 L485 L488 L504 V508 L541 Y542 Y544 L562	D468-V506 CarbonylContact O-C 3.51Å; D468-V506 WeakPolarHBondContact O-CA 3.38Å; V469-V506 HydrophobicContact CG2-CG1 4.36Å; V469-V506 HydrophobicContact CG2-CG2 4.46Å; L485-V506 HydrophobicContact CD2-CG1 3.5Å; L485-V506 VanDerWaalsContact CD2-CG1 3.5Å; L488-V506 HydrophobicContact CD1-CG2 4.47Å; L488-V506 HydrophobicContact CD2-CG2 4.13Å; L504-V506 HydrophobicContact CD1-CG2 3.88Å; L504-V506 HydrophobicContact CG-CG2 4.47Å; V506-V508 HydrophobicContact CG1-CG2 3.95Å; V506-L541 WeakPolarHBondContact O-CA 3.13Å; V506-Y542 PolarHBondContact N-O 3.3Å; V506-Y542 PolarHBondContact O-N 3.03Å; V506-Y544 HydrophobicContact CG2-CD2 4.38Å; V506-Y544 HydrophobicContact CG2-CE2 4.31Å; V506-L562 HydrophobicContact CB-CD1 4Å; V506-L562 HydrophobicContact CG1-CD1 3.76Å
507	L	98.7	Very high	93.3	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.047	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.7	176.3	174	67.7	0	0	0	109.7	V453 G467 D468 Y479 P539 L541	V453-L507 HydrophobicContact CG1-CD1 3.84Å; V453-L507 HydrophobicContact CG1-CD2 3.73Å; V453-L507 HydrophobicContact CG1-CG 4.33Å; G467-L507 CarbonylContact C-O 3.55Å; G467-L507 WeakPolarHBondContact CA-O 2.94Å; D468-L507 HydrophobicContact CB-CB 4.27Å; D468-L507 HydrophobicContact CB-CD2 4.43Å; D468-L507 PolarHBondContact N-O 3.19Å; D468-L507 PolarHBondContact O-N 2.89Å; Y479-L507 WeakPolarHBondContact OH-CD2 3.42Å; L507-P539 HydrophobicContact CD1-CB 3.99Å; L507-L541 HydrophobicContact CD1-CD1 3.93Å; L507-L541 HydrophobicContact CD1-CG 3.9Å
508	V	98.3	Very high	92.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.6	-176.5	-172.6	0	0	0	0	109.8	L485 V506 Q510 V540 Y542 P561 L562	L485-V508 HydrophobicContact CD1-CB 4.22Å; L485-V508 HydrophobicContact CD1-CG1 3.59Å; L485-V508 HydrophobicContact CD1-CG2 3.63Å; L485-V508 HydrophobicContact CD2-CG2 4.17Å; V506-V508 HydrophobicContact CG1-CG2 3.95Å; V508-Q510 HydrophobicContact CB-CG 4.27Å; V508-Q510 HydrophobicContact CG1-CG 3.72Å; V508-V540 PolarHBondContact N-O 2.96Å; V508-V540 PolarHBondContact O-N 2.68Å; V508-Y542 HydrophobicContact CB-CE2 4.44Å; V508-Y542 HydrophobicContact CG2-CD2 4.2Å; V508-Y542 HydrophobicContact CG2-CE2 4.28Å; V508-P561 HydrophobicContact CG1-CG 4.13Å; V508-L562 HydrophobicContact CG2-CD1 3.76Å
509	M	97.8	Very high	92.5	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134	166.1	-57.7	-62.1	-64.8	0	0	109.4	P459 Y460 F463 E464 L537 H538 P539 W579	P459-M509 HydrophobicContact CB-CG 4.13Å; P459-M509 WeakPolarHBondContact O-CB 3.2Å; Y460-M509 HydrophobicContact CD2-CE 4.3Å; F463-M509 HydrophobicContact CB-CB 4.19Å; F463-M509 WeakPolarHBondContact CB-O 2.77Å; E464-M509 PolarHBondContact N-O 3.15Å; M509-L537 HydrophobicContact CB-CD1 3.84Å; M509-L537 HydrophobicContact CB-CG 4.29Å; M509-L537 HydrophobicContact CE-CD2 4.21Å; M509-L537 HydrophobicContact CE-CG 3.91Å; M509-H538 WeakPolarHBondContact CA-O 3.33Å; M509-P539 HydrophobicContact CE-CG 4.19Å; M509-P539 HydrophobicContact SD-CB 4.05Å; M509-P539 HydrophobicContact SD-CG 3.93Å; M509-W579 HydrophobicContact CE-CH2 3.61Å; M509-W579 HydrophobicContact CE-CZ2 4.09Å; M509-W579 HydrophobicContact CE-CZ3 4.11Å
510	Q	95.7	Very high	92.2	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.1	-174.9	-55.5	-171.2	26.8	0	0	112.7	E464 V508 L537 H538 V540 Y542 P561	E464-Q510 HydrophobicContact CG-CB 4.3Å; E464-Q510 HydrophobicContact CG-CG 3.91Å; V508-Q510 HydrophobicContact CB-CG 4.27Å; V508-Q510 HydrophobicContact CG1-CG 3.72Å; Q510-L537 CarbonylContact O-C 3.52Å; Q510-L537 VanDerWaalsContact O-CA 3.29Å; Q510-L537 WeakPolarHBondContact O-CA 3.18Å; Q510-H538 PolarHBondContact N-O 3.37Å; Q510-H538 PolarHBondContact O-N 3.25Å; Q510-H538 PolarHBondContact O-ND1 3Å; Q510-V540 HydrophobicContact CB-CG2 4.11Å; Q510-V540 HydrophobicContact CG-CB 4.43Å; Q510-V540 HydrophobicContact CG-CG2 4.01Å; Q510-Y542 PolarHBondContact NE2-OH 2.76Å; Q510-Y542 PolarHBondContact OE1-OH 2.6Å; Q510-P561 HydrophobicContact CG-CG 4.36Å; Q510-P561 VanDerWaalsContact NE2-CG 3.34Å
511	Y	94.1	Very high	92	Very high	47 Å²	47	60.8 Å²	60.8	18%	0.184	31%	0.306	C	S	.	.			trans	-94.8	150.4	164.5	-76.4	-84.5	0	0	0	109.9	H252 F463 L537	H252-Y511 HydrophobicContact CB-CD1 4.2Å; H252-Y511 HydrophobicContact CB-CD2 3.81Å; H252-Y511 HydrophobicContact CB-CE1 4.07Å; H252-Y511 HydrophobicContact CB-CE2 3.65Å; H252-Y511 HydrophobicContact CB-CG 4.08Å; H252-Y511 AromaticContact CD2-CD1 3.52Å; H252-Y511 AromaticContact CD2-CE1 3.16Å; H252-Y511 WeakPolarHBondContact CD2-CE1 3.25Å; H252-Y511 AromaticContact CD2-CZ 3.63Å; H252-Y511 AromaticContact CE1-CD1 3.61Å; H252-Y511 AromaticContact CG-CD1 3.5Å; H252-Y511 VanDerWaalsContact CG-CD1 3.5Å; H252-Y511 AromaticContact CG-CE1 3.5Å; H252-Y511 VanDerWaalsContact CG-CE1 3.5Å; H252-Y511 AromaticContact CG-CG 3.77Å; H252-Y511 AromaticContact CG-CZ 3.75Å; H252-Y511 AromaticContact ND1-CD1 3.56Å; H252-Y511 AromaticContact ND1-CG 3.78Å; H252-Y511 AromaticContact NE2-CD1 3.59Å; H252-Y511 AromaticContact NE2-CE1 3.55Å; F463-Y511 HydrophobicContact CD1-CD2 4.42Å; F463-Y511 HydrophobicContact CD1-CE2 4.01Å; F463-Y511 AromaticContact CD2-CD2 3.89Å; F463-Y511 HydrophobicContact CD2-CD2 3.89Å; F463-Y511 HydrophobicContact CD2-CE2 4.31Å; F463-Y511 HydrophobicContact CE1-CD2 4.31Å; F463-Y511 AromaticContact CE1-CE2 3.88Å; F463-Y511 HydrophobicContact CE1-CE2 3.88Å; F463-Y511 AromaticContact CE2-CD2 3.76Å; F463-Y511 HydrophobicContact CE2-CD2 3.76Å; F463-Y511 HydrophobicContact CE2-CE2 4.18Å; F463-Y511 HydrophobicContact CG-CD2 4.22Å; F463-Y511 HydrophobicContact CG-CE2 4.23Å; F463-Y511 AromaticContact CZ-CD2 3.98Å; F463-Y511 HydrophobicContact CZ-CD2 3.98Å; F463-Y511 AromaticContact CZ-CE2 3.96Å; F463-Y511 HydrophobicContact CZ-CE2 3.96Å; Y511-L537 HydrophobicContact CD1-CB 4.25Å; Y511-L537 HydrophobicContact CD2-CD1 3.81Å; Y511-L537 HydrophobicContact CE1-CB 3.76Å; Y511-L537 HydrophobicContact CE2-CB 4.07Å; Y511-L537 HydrophobicContact CE2-CD1 3.65Å; Y511-L537 HydrophobicContact CE2-CG 4.31Å; Y511-L537 HydrophobicContact CG-CD1 4.44Å
512	G	90.4	Very high	91.7	Very high	21 Å²	21	58 Å²	58	22%	0.216	30%	0.296	C	S	.	.			trans	-63.2	149.9	171.6	0	0	0	0	0	111.7	S534 N535	G512-S534 WeakPolarHBondContact CA-O 3.42Å; G512-N535 PolarHBondContact N-O 2.75Å
513	K	84.5	Confident	91.6	Very high	111 Å²	111	57.8 Å²	57.8	48%	0.483	29%	0.291	S	S	.	.			trans	-96.7	-4.1	-175.4	-55.5	-65.2	167.3	171.3	0	113.2	E464 G559	E464-K513 VanDerWaalsContact OE1-CE 3.27Å; E464-K513 WeakPolarHBondContact OE1-CE 3.48Å; E464-K513 IonicContact OE1-NZ 2.79Å; E464-K513 PolarHBondContact OE1-NZ 2.96Å; E464-K513 IonicContact OE2-NZ 3.18Å; E464-K513 PolarHBondContact OE2-NZ 3.03Å; K513-G559 WeakPolarHBondContact CE-O 3.46Å; K513-G559 PolarHBondContact NZ-O 3.43Å
514	R	85.3	Confident	91.3	Very high	165 Å²	165	60 Å²	60	62%	0.623	31%	0.307	S	S	*	.	S	Bend	trans	-71.3	133.9	179.9	-174.5	-178.8	168	-172.3	-4.4	109.3	I516	R514-I516 HydrophobicContact CB-CG2 4.21Å; R514-I516 HydrophobicContact CG-CG2 3.8Å; R514-I516 PolarHBondContact O-N 2.88Å
515	K	83.7	Confident	91.1	Very high	208 Å²	208	61.8 Å²	61.8	90%	0.904	32%	0.315	S	S	*	.			trans	-71.8	116.8	166.8	-70.5	-175.5	-179.3	178.4	0	108.3
516	I	88.7	Confident	90.7	Very high	35 Å²	35	67.2 Å²	67.2	18%	0.179	35%	0.348	C	S	.	.			trans	-128.7	160.1	178.8	58.7	158.4	0	0	0	110	R514 N518 R523 N535	R514-I516 HydrophobicContact CB-CG2 4.21Å; R514-I516 HydrophobicContact CG-CG2 3.8Å; R514-I516 PolarHBondContact O-N 2.88Å; I516-N518 PolarHBondContact O-N 3.13Å; I516-R523 HydrophobicContact CD1-CB 3.85Å; I516-R523 WeakPolarHBondContact CD1-O 3.49Å; I516-N535 HydrophobicContact CD1-CB 3.61Å
517	D	88.2	Confident	90.4	Very high	105 Å²	105	69.9 Å²	69.9	56%	0.561	36%	0.362	S	S	*	.			trans	-74.9	107.2	159.4	-179.2	1.3	0	0	0	108.5	L519 G520	D517-L519 PolarHBondContact O-N 2.94Å; D517-L519 VanDerWaalsContact O-N 3.14Å; D517-L519 PolarHBondContact OD1-N 3.25Å; D517-G520 VanDerWaalsContact CG-N 3.29Å; D517-G520 PolarHBondContact O-N 3.22Å; D517-G520 PolarHBondContact OD1-N 2.88Å; D517-G520 WeakPolarHBondContact OD2-CA 3.42Å; D517-G520 PolarHBondContact OD2-N 3.45Å
518	N	85.9	Confident	90.2	Very high	21 Å²	21	75 Å²	75	11%	0.112	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12	-177.3	-66.1	-70.9	0	0	0	113.4	Q250 I516 R523	Q250-N518 VanDerWaalsContact CA-ND2 3.34Å; Q250-N518 WeakPolarHBondContact CA-ND2 3.37Å; I516-N518 PolarHBondContact O-N 3.13Å; N518-R523 WeakPolarHBondContact O-CD 2.97Å
519	L	88.6	Confident	90.1	Very high	137 Å²	137	78 Å²	78	72%	0.717	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-3.5	174.6	-59.1	179.1	0	0	0	112.4	D517	D517-L519 PolarHBondContact O-N 2.94Å; D517-L519 VanDerWaalsContact O-N 3.14Å; D517-L519 PolarHBondContact OD1-N 3.25Å
520	G	88.5	Confident	89.9	Confident	15 Å²	15	80.5 Å²	80.5	16%	0.155	41%	0.411	C	S	.	.	S	Bend	trans	-84.9	-178.5	-176.1	0	0	0	0	0	114.9	D517 R523	D517-G520 VanDerWaalsContact CG-N 3.29Å; D517-G520 PolarHBondContact O-N 3.22Å; D517-G520 PolarHBondContact OD1-N 2.88Å; D517-G520 WeakPolarHBondContact OD2-CA 3.42Å; D517-G520 PolarHBondContact OD2-N 3.45Å; G520-R523 WeakPolarHBondContact O-CD 3.14Å; G520-R523 WeakPolarHBondContact O-CG 3.05Å; G520-R523 PolarHBondContact O-NH1 3.03Å
521	L	88.8	Confident	89.9	Confident	176 Å²	176	80.2 Å²	80.2	92%	0.921	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	146.6	172.1	-65.4	173.6	0	0	0	110.9	R523	L521-R523 PolarHBondContact O-N 3.26Å
522	G	85.2	Confident	89.9	Confident	56 Å²	56	85.7 Å²	85.7	58%	0.577	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	18.5	178.4	0	0	0	0	0	114.8	S524	G522-S524 VanDerWaalsContact C-N 3.29Å
523	R	89.1	Confident	90.1	Very high	90 Å²	90	88.8 Å²	88.8	34%	0.34	44%	0.438	S	S	.	.			trans	-70.3	-24.3	175.3	67.5	-177.1	-178.4	-62.8	-8.4	113.3	I516 N518 G520 L521 N535 F536	I516-R523 HydrophobicContact CD1-CB 3.85Å; I516-R523 WeakPolarHBondContact CD1-O 3.49Å; N518-R523 WeakPolarHBondContact O-CD 2.97Å; G520-R523 WeakPolarHBondContact O-CD 3.14Å; G520-R523 WeakPolarHBondContact O-CG 3.05Å; G520-R523 PolarHBondContact O-NH1 3.03Å; L521-R523 PolarHBondContact O-N 3.26Å; R523-N535 WeakPolarHBondContact O-CB 3.34Å; R523-N535 PolarHBondContact O-ND2 3.49Å; R523-F536 HydrophobicContact CB-CE2 4.45Å; R523-F536 HydrophobicContact CG-CE2 4.07Å; R523-F536 HydrophobicContact CG-CZ 4.23Å; R523-F536 WeakPolarHBondContact O-CE2 3.5Å
524	S	91.5	Very high	90.6	Very high	48 Å²	48	83.6 Å²	83.6	34%	0.336	42%	0.416	S	S	.	.	S	Bend	trans	-120.5	147.2	-177.3	56.5	0	0	0	0	111.8	G522 E573	G522-S524 VanDerWaalsContact C-N 3.29Å; S524-E573 VanDerWaalsContact C-OE1 3.3Å; S524-E573 WeakPolarHBondContact CA-OE1 3.28Å; S524-E573 WeakPolarHBondContact CB-OE1 3.37Å
525	E	92.3	Very high	90.9	Very high	36 Å²	36	76 Å²	76	17%	0.168	39%	0.388	C	S	.	.			trans	-108.9	131	174.7	-61.5	-66.4	-152.7	0	0	111.4	K533 V572 E573	E525-K533 HydrophobicContact CG-CB 3.94Å; E525-K533 WeakPolarHBondContact OE1-CB 3.12Å; E525-V572 HydrophobicContact CB-CG2 4.46Å; E525-V572 WeakPolarHBondContact O-CG2 3.49Å; E525-E573 PolarHBondContact N-OE1 3.27Å; E525-E573 WeakPolarHBondContact O-CG 3.28Å
526	T	90.6	Very high	91.4	Very high	115 Å²	115	69.4 Å²	69.4	71%	0.706	36%	0.359	S	S	*	.			trans	-113.9	-17.8	177.6	55.8	0	0	0	0	112.3	W528	T526-W528 PolarHBondContact O-N 2.91Å
527	D	93.5	Very high	91.7	Very high	56 Å²	56	68.3 Å²	68.3	30%	0.299	35%	0.354	S	S	.	.			trans	-79.9	110.1	178.3	179.8	3.6	0	0	0	110.2	T529 Q530 A531	D527-T529 PolarHBondContact O-N 3.14Å; D527-T529 WeakPolarHBondContact OD1-CB 3.38Å; D527-T529 PolarHBondContact OD1-N 3.31Å; D527-T529 PolarHBondContact OD1-OG1 2.96Å; D527-T529 PolarHBondContact OD2-OG1 3.11Å; D527-Q530 HydrophobicContact CB-CB 4.5Å; D527-Q530 CarbonylContact O-C 3.35Å; D527-Q530 PolarHBondContact O-N 2.77Å; D527-Q530 PolarHBondContact OD2-NE2 2.97Å; D527-A531 PolarHBondContact O-N 3.31Å
528	W	93.7	Very high	92.2	Very high	116 Å²	116	63.5 Å²	63.5	44%	0.439	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-62.4	-24.8	179.2	69.1	-93.1	0	0	0	113.1	T526 Q530 A531 V572 S584 P588	T526-W528 PolarHBondContact O-N 2.91Å; W528-Q530 PolarHBondContact O-N 2.62Å; W528-A531 WeakPolarHBondContact O-CB 3.47Å; W528-A531 PolarHBondContact O-N 2.87Å; W528-V572 HydrophobicContact CB-CG1 4.19Å; W528-S584 WeakPolarHBondContact CB-O 3.38Å; W528-P588 HydrophobicContact CD2-CG 3.89Å; W528-P588 HydrophobicContact CE3-CB 4.05Å; W528-P588 HydrophobicContact CE3-CG 3.41Å; W528-P588 VanDerWaalsContact CE3-CG 3.41Å; W528-P588 HydrophobicContact CG-CG 4.46Å; W528-P588 HydrophobicContact CZ3-CB 4.27Å; W528-P588 HydrophobicContact CZ3-CG 3.8Å
529	T	95.1	Very high	92.7	Very high	63 Å²	63	62.5 Å²	62.5	39%	0.387	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-71.4	-9.2	175	73.8	0	0	0	0	112.2	D527 W532	D527-T529 PolarHBondContact O-N 3.14Å; D527-T529 WeakPolarHBondContact OD1-CB 3.38Å; D527-T529 PolarHBondContact OD1-N 3.31Å; D527-T529 PolarHBondContact OD1-OG1 2.96Å; D527-T529 PolarHBondContact OD2-OG1 3.11Å; T529-W532 WeakPolarHBondContact O-CH2 3.31Å; T529-W532 WeakPolarHBondContact O-CZ3 3.3Å
530	Q	95.2	Very high	93.2	Very high	59 Å²	59	56 Å²	56	28%	0.276	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-122.7	21.4	177.1	-63.5	-175.8	77.7	0	0	112.1	D527 W528 W532 K533	D527-Q530 HydrophobicContact CB-CB 4.5Å; D527-Q530 CarbonylContact O-C 3.35Å; D527-Q530 PolarHBondContact O-N 2.77Å; D527-Q530 PolarHBondContact OD2-NE2 2.97Å; W528-Q530 PolarHBondContact O-N 2.62Å; Q530-W532 PolarHBondContact O-N 3.15Å; Q530-K533 HydrophobicContact CB-CD 4.3Å; Q530-K533 WeakPolarHBondContact O-CB 3.37Å; Q530-K533 PolarHBondContact O-N 3.29Å
531	A	95.5	Very high	93.7	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.033	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-53.3	-26.4	-176.1	0	0	0	0	0	114.7	D527 W528 K533 S534 H570 V572	D527-A531 PolarHBondContact O-N 3.31Å; W528-A531 WeakPolarHBondContact O-CB 3.47Å; W528-A531 PolarHBondContact O-N 2.87Å; A531-K533 PolarHBondContact O-N 3.25Å; A531-K533 VanDerWaalsContact O-N 3.16Å; A531-S534 VanDerWaalsContact O-CB 3.28Å; A531-S534 WeakPolarHBondContact O-CB 3.41Å; A531-S534 PolarHBondContact O-N 3.05Å; A531-S534 VanDerWaalsContact O-N 3.1Å; A531-S534 PolarHBondContact O-OG 3.31Å; A531-S534 VanDerWaalsContact O-OG 3.13Å; A531-H570 HydrophobicContact CB-CB 3.81Å; A531-H570 WeakPolarHBondContact CB-O 3.02Å; A531-V572 HydrophobicContact CB-CB 3.93Å
532	W	93.9	Very high	94.2	Very high	163 Å²	163	46.9 Å²	46.9	62%	0.617	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-66.9	-11.2	174.5	65.4	84.3	0	0	0	114.2	T529 Q530	T529-W532 WeakPolarHBondContact O-CH2 3.31Å; T529-W532 WeakPolarHBondContact O-CZ3 3.3Å; Q530-W532 PolarHBondContact O-N 3.15Å
533	K	93.8	Very high	94.8	Very high	86 Å²	86	44.9 Å²	44.9	37%	0.374	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-93.6	-3.6	174.3	-60	-175	-176.8	172.7	0	113.1	E525 Q530 A531 N535	E525-K533 HydrophobicContact CG-CB 3.94Å; E525-K533 WeakPolarHBondContact OE1-CB 3.12Å; Q530-K533 HydrophobicContact CB-CD 4.3Å; Q530-K533 WeakPolarHBondContact O-CB 3.37Å; Q530-K533 PolarHBondContact O-N 3.29Å; A531-K533 PolarHBondContact O-N 3.25Å; A531-K533 VanDerWaalsContact O-N 3.16Å; K533-N535 PolarHBondContact O-N 2.68Å; K533-N535 PolarHBondContact O-OD1 3.4Å
534	S	94.6	Very high	95.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	20%	0.199	C	C	.	.			trans	-53	134.4	177.5	-72.2	0	0	0	0	111.2	G512 A531 E573	G512-S534 WeakPolarHBondContact CA-O 3.42Å; A531-S534 VanDerWaalsContact O-CB 3.28Å; A531-S534 WeakPolarHBondContact O-CB 3.41Å; A531-S534 PolarHBondContact O-N 3.05Å; A531-S534 VanDerWaalsContact O-N 3.1Å; A531-S534 PolarHBondContact O-OG 3.31Å; A531-S534 VanDerWaalsContact O-OG 3.13Å; S534-E573 WeakPolarHBondContact CA-OE2 3.44Å; S534-E573 VanDerWaalsContact CB-OE2 3.29Å; S534-E573 WeakPolarHBondContact CB-OE2 3.4Å; S534-E573 PolarHBondContact OG-N 3.31Å
535	N	92.4	Very high	95.4	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.032	20%	0.202	C	C	.	.			trans	-102.6	-35.6	-174.9	-61.4	-61.9	0	0	0	112.1	G512 I516 R523 K533 E573	G512-N535 PolarHBondContact N-O 2.75Å; I516-N535 HydrophobicContact CD1-CB 3.61Å; R523-N535 WeakPolarHBondContact O-CB 3.34Å; R523-N535 PolarHBondContact O-ND2 3.49Å; K533-N535 PolarHBondContact O-N 2.68Å; K533-N535 PolarHBondContact O-OD1 3.4Å; N535-E573 PolarHBondContact N-OE2 3.27Å
536	F	93.9	Very high	95.6	Very high	69 Å²	69	44.8 Å²	44.8	30%	0.303	22%	0.221	S	C	.	.	S	Bend	trans	-79.4	174.1	175.5	-65.4	-74.5	0	0	0	111.6	R523 H538 E573	R523-F536 HydrophobicContact CB-CE2 4.45Å; R523-F536 HydrophobicContact CG-CE2 4.07Å; R523-F536 HydrophobicContact CG-CZ 4.23Å; R523-F536 WeakPolarHBondContact O-CE2 3.5Å; F536-H538 PolarHBondContact O-N 2.67Å; F536-H538 PolarHBondContact O-ND1 2.98Å; F536-E573 WeakPolarHBondContact CA-OE2 3.34Å; F536-E573 HydrophobicContact CB-CB 4.29Å; F536-E573 WeakPolarHBondContact CB-OE2 3.37Å; F536-E573 WeakPolarHBondContact CD2-OE1 3.36Å; F536-E573 PolarHBondContact N-OE2 3.42Å
537	L	95.8	Very high	95.9	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.063	20%	0.198	C	C	.	.	S	Bend	trans	-62.6	120.1	-177.5	-169.7	66	0	0	0	110.1	Y460 F463 M509 Q510 Y511	Y460-L537 HydrophobicContact CD1-CD2 4.01Å; Y460-L537 HydrophobicContact CD2-CD2 3.73Å; Y460-L537 HydrophobicContact CE1-CD2 3.91Å; Y460-L537 HydrophobicContact CE2-CD2 3.63Å; Y460-L537 HydrophobicContact CG-CD2 3.92Å; F463-L537 HydrophobicContact CB-CD1 3.75Å; F463-L537 HydrophobicContact CG-CD1 4.19Å; M509-L537 HydrophobicContact CB-CD1 3.84Å; M509-L537 HydrophobicContact CB-CG 4.29Å; M509-L537 HydrophobicContact CE-CD2 4.21Å; M509-L537 HydrophobicContact CE-CG 3.91Å; Q510-L537 CarbonylContact O-C 3.52Å; Q510-L537 VanDerWaalsContact O-CA 3.29Å; Q510-L537 WeakPolarHBondContact O-CA 3.18Å; Y511-L537 HydrophobicContact CD1-CB 4.25Å; Y511-L537 HydrophobicContact CD2-CD1 3.81Å; Y511-L537 HydrophobicContact CE1-CB 3.76Å; Y511-L537 HydrophobicContact CE2-CB 4.07Å; Y511-L537 HydrophobicContact CE2-CD1 3.65Å; Y511-L537 HydrophobicContact CE2-CG 4.31Å; Y511-L537 HydrophobicContact CG-CD1 4.44Å
538	H	97.4	Very high	96	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.3	-179.9	63.3	-78.5	0	0	0	112.2	M509 Q510 F536 V540 H570 M571 E573	M509-H538 WeakPolarHBondContact CA-O 3.33Å; Q510-H538 PolarHBondContact N-O 3.37Å; Q510-H538 PolarHBondContact O-N 3.25Å; Q510-H538 PolarHBondContact O-ND1 3Å; F536-H538 PolarHBondContact O-N 2.67Å; F536-H538 PolarHBondContact O-ND1 2.98Å; H538-V540 WeakPolarHBondContact NE2-CG2 3.34Å; H538-H570 AromaticContact CD2-ND1 3.76Å; H538-H570 AromaticContact NE2-CE1 3.92Å; H538-H570 AromaticContact NE2-ND1 3.04Å; H538-H570 PolarHBondContact NE2-ND1 3.35Å; H538-M571 WeakPolarHBondContact CB-O 3.49Å; H538-M571 PolarHBondContact CD2-O 3Å; H538-E573 HydrophobicContact CB-CB 4.05Å
539	P	98.2	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.6	175.1	-11.7	25.8	0	0	0	112.3	V453 L507 M509 M571 W579	V453-P539 HydrophobicContact CB-CB 4.39Å; V453-P539 HydrophobicContact CB-CG 3.88Å; V453-P539 HydrophobicContact CG1-CB 3.73Å; V453-P539 HydrophobicContact CG1-CG 3.78Å; L507-P539 HydrophobicContact CD1-CB 3.99Å; M509-P539 HydrophobicContact CE-CG 4.19Å; M509-P539 HydrophobicContact SD-CB 4.05Å; M509-P539 HydrophobicContact SD-CG 3.93Å; P539-M571 HydrophobicContact CB-CB 4.23Å; P539-M571 HydrophobicContact CB-CG 4.34Å; P539-M571 HydrophobicContact CB-SD 3.91Å; P539-M571 HydrophobicContact CG-CB 4.2Å; P539-M571 HydrophobicContact CG-SD 4.09Å; P539-M571 PolarHBondContact O-N 2.73Å; P539-W579 VanDerWaalsContact CD-CE2 3.4Å; P539-W579 HydrophobicContact CG-CD2 3.8Å; P539-W579 HydrophobicContact CG-CE3 4.3Å; P539-W579 HydrophobicContact CG-CG 4.03Å; P539-W579 HydrophobicContact CG-CZ2 4.29Å
540	V	98.4	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129	176	-169.9	0	0	0	0	109.4	V508 Q510 H538 Y542 I568 H569 H570	V508-V540 PolarHBondContact N-O 2.96Å; V508-V540 PolarHBondContact O-N 2.68Å; Q510-V540 HydrophobicContact CB-CG2 4.11Å; Q510-V540 HydrophobicContact CG-CB 4.43Å; Q510-V540 HydrophobicContact CG-CG2 4.01Å; H538-V540 WeakPolarHBondContact NE2-CG2 3.34Å; V540-Y542 HydrophobicContact CB-CE2 3.9Å; V540-Y542 HydrophobicContact CG1-CD2 4.16Å; V540-Y542 HydrophobicContact CG1-CE2 3.43Å; V540-Y542 VanDerWaalsContact CG1-CE2 3.43Å; V540-I568 HydrophobicContact CG1-CD1 3.83Å; V540-I568 HydrophobicContact CG1-CG1 3.79Å; V540-H569 CarbonylContact C-O 3.52Å; V540-H569 WeakPolarHBondContact CA-O 3.3Å; V540-H570 WeakPolarHBondContact CG2-ND1 3.34Å
541	L	98.7	Very high	96.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.9	-179.3	-64.9	84	0	0	0	110.3	I449 I505 V506 L507 I568 H569 M571 L589 F592 L593	I449-L541 HydrophobicContact CD1-CD2 4.05Å; I449-L541 HydrophobicContact CG2-CD2 4.5Å; I505-L541 HydrophobicContact CG2-CB 4.03Å; I505-L541 HydrophobicContact CG2-CD2 4.05Å; I505-L541 HydrophobicContact CG2-CG 4.42Å; V506-L541 WeakPolarHBondContact O-CA 3.13Å; L507-L541 HydrophobicContact CD1-CD1 3.93Å; L507-L541 HydrophobicContact CD1-CG 3.9Å; L541-I568 WeakPolarHBondContact O-CA 3.12Å; L541-H569 HydrophobicContact CB-CB 4.48Å; L541-H569 PolarHBondContact N-O 3.23Å; L541-H569 PolarHBondContact O-N 2.73Å; L541-M571 HydrophobicContact CD1-CG 4.23Å; L541-M571 HydrophobicContact CD1-SD 4.21Å; L541-L589 HydrophobicContact CD1-CD1 4.13Å; L541-L589 HydrophobicContact CD2-CD1 3.66Å; L541-F592 HydrophobicContact CB-CD1 4.32Å; L541-F592 HydrophobicContact CB-CE1 3.58Å; L541-F592 HydrophobicContact CB-CZ 4.07Å; L541-F592 HydrophobicContact CD2-CD1 4.29Å; L541-F592 HydrophobicContact CD2-CE1 4.05Å; L541-F592 HydrophobicContact CG-CE1 4.44Å; L541-L593 HydrophobicContact CD2-CD2 4.43Å
542	Y	98.6	Very high	96.3	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119	179.2	-68	-108.2	0	0	0	109.5	I505 V506 V508 Q510 V540 Y544 W560 L562 P565 I568	I505-Y542 CarbonylContact C-O 3.5Å; I505-Y542 VanDerWaalsContact CA-O 3.27Å; I505-Y542 WeakPolarHBondContact CA-O 3.42Å; V506-Y542 PolarHBondContact N-O 3.3Å; V506-Y542 PolarHBondContact O-N 3.03Å; V508-Y542 HydrophobicContact CB-CE2 4.44Å; V508-Y542 HydrophobicContact CG2-CD2 4.2Å; V508-Y542 HydrophobicContact CG2-CE2 4.28Å; Q510-Y542 PolarHBondContact NE2-OH 2.76Å; Q510-Y542 PolarHBondContact OE1-OH 2.6Å; V540-Y542 HydrophobicContact CB-CE2 3.9Å; V540-Y542 HydrophobicContact CG1-CD2 4.16Å; V540-Y542 HydrophobicContact CG1-CE2 3.43Å; V540-Y542 VanDerWaalsContact CG1-CE2 3.43Å; Y542-Y544 WeakPolarHBondContact CD1-OH 3.41Å; Y542-Y544 HydrophobicContact CG-CE2 4.46Å; Y542-W560 AromaticContact CE1-CE3 3.85Å; Y542-W560 HydrophobicContact CE1-CE3 3.85Å; Y542-W560 AromaticContact CE1-CZ3 3.83Å; Y542-W560 HydrophobicContact CE1-CZ3 3.83Å; Y542-L562 HydrophobicContact CD1-CB 4.04Å; Y542-L562 HydrophobicContact CD1-CD1 4.24Å; Y542-L562 HydrophobicContact CD2-CD1 3.98Å; Y542-L562 HydrophobicContact CE1-CB 4.08Å; Y542-L562 HydrophobicContact CE2-CD1 4.45Å; Y542-L562 HydrophobicContact CG-CD1 3.9Å; Y542-P565 HydrophobicContact CD1-CB 3.98Å; Y542-P565 HydrophobicContact CD1-CG 3.58Å; Y542-P565 HydrophobicContact CE1-CG 4.25Å; Y542-P565 HydrophobicContact CG-CB 4.48Å; Y542-P565 HydrophobicContact CG-CG 4.3Å; Y542-I568 HydrophobicContact CD1-CD1 4.27Å; Y542-I568 HydrophobicContact CE1-CD1 3.71Å; Y542-I568 HydrophobicContact CE2-CD1 4.33Å
543	Y	98.5	Very high	96.4	Very high	13 Å²	13	34.9 Å²	34.9	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.4	175.2	173.5	-107.7	0	0	0	111.5	L472 L504 I505 D545 P565 K566 A567 C596	L472-Y543 HydrophobicContact CD1-CD2 4.32Å; L472-Y543 HydrophobicContact CD1-CE2 3.83Å; L504-Y543 WeakPolarHBondContact O-CD2 3.37Å; I505-Y543 HydrophobicContact CG1-CD2 3.87Å; Y543-D545 WeakPolarHBondContact CE1-OD1 3.35Å; Y543-D545 PolarHBondContact OH-OD1 3.4Å; Y543-P565 VanDerWaalsContact O-CB 3.28Å; Y543-P565 WeakPolarHBondContact O-CB 3.44Å; Y543-K566 HydrophobicContact CD1-CB 4.12Å; Y543-K566 HydrophobicContact CD1-CD 4.39Å; Y543-K566 HydrophobicContact CD1-CG 4.33Å; Y543-K566 HydrophobicContact CE1-CB 4.42Å; Y543-K566 HydrophobicContact CE1-CD 3.92Å; Y543-K566 HydrophobicContact CE1-CG 4.34Å; Y543-K566 PolarHBondContact O-N 2.81Å; Y543-A567 HydrophobicContact CD1-CB 4.27Å; Y543-A567 PolarHBondContact N-O 3.13Å; Y543-C596 HydrophobicContact CD2-CB 3.91Å; Y543-C596 HydrophobicContact CE2-CB 4.18Å; Y543-C596 HydrophobicContact CG-CB 4.2Å
544	Y	98.1	Very high	96.4	Very high	16 Å²	16	38.7 Å²	38.7	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.8	175.1	-56.8	-85.8	0	0	0	110.6	G503 L504 V506 Y542 S546 P548 L562 P563 P565	G503-Y544 CarbonylContact C-O 3.3Å; G503-Y544 WeakPolarHBondContact CA-O 3.35Å; L504-Y544 PolarHBondContact N-O 2.75Å; L504-Y544 PolarHBondContact O-N 3.17Å; V506-Y544 HydrophobicContact CG2-CD2 4.38Å; V506-Y544 HydrophobicContact CG2-CE2 4.31Å; Y542-Y544 WeakPolarHBondContact CD1-OH 3.41Å; Y542-Y544 HydrophobicContact CG-CE2 4.46Å; Y544-S546 VanDerWaalsContact C-N 3.29Å; Y544-S546 WeakPolarHBondContact CB-O 3.47Å; Y544-P548 HydrophobicContact CD1-CG 3.89Å; Y544-P548 HydrophobicContact CD2-CG 4.18Å; Y544-P548 HydrophobicContact CE1-CG 3.78Å; Y544-P548 HydrophobicContact CE2-CG 4.05Å; Y544-P548 HydrophobicContact CG-CG 4.1Å; Y544-L562 WeakPolarHBondContact OH-CB 3.24Å; Y544-P563 PolarHBondContact OH-O 3.2Å; Y544-P565 HydrophobicContact CD1-CB 4.17Å; Y544-P565 VanDerWaalsContact CE1-CA 3.44Å; Y544-P565 HydrophobicContact CE1-CB 3.75Å; Y544-P565 HydrophobicContact CE2-CB 4.37Å
545	D	95.4	Very high	96.4	Very high	74 Å²	74	42.9 Å²	42.9	40%	0.396	23%	0.234	S	C	.	.	S	Bend	trans	-73.2	-24.1	172	-65.1	-33.3	0	0	0	112	G503 Y543 K566	G503-D545 WeakPolarHBondContact CA-O 3.29Å; Y543-D545 WeakPolarHBondContact CE1-OD1 3.35Å; Y543-D545 PolarHBondContact OH-OD1 3.4Å; D545-K566 WeakPolarHBondContact OD1-CD 3.4Å; D545-K566 IonicContact OD1-NZ 3.66Å; D545-K566 PolarHBondContact OD1-NZ 2.92Å; D545-K566 WeakPolarHBondContact OD2-CD 3.46Å; D545-K566 WeakPolarHBondContact OD2-CE 3.25Å; D545-K566 IonicContact OD2-NZ 3.83Å; D545-K566 PolarHBondContact OD2-NZ 3.21Å
546	S	95.6	Very high	96.5	Very high	82 Å²	82	46.4 Å²	46.4	57%	0.573	25%	0.246	S	C	*	.	S	Bend	trans	-149.3	168.6	178.6	62.4	0	0	0	0	111.3	Y544	Y544-S546 VanDerWaalsContact C-N 3.29Å; Y544-S546 WeakPolarHBondContact CB-O 3.47Å
547	L	96.7	Very high	96.5	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.215	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-61.8	132.1	178.2	-74.2	174.4	0	0	0	111.1	L488 F491 V499 L504	L488-L547 HydrophobicContact CD1-CD2 4.18Å; L488-L547 HydrophobicContact CG-CD2 4.32Å; F491-L547 HydrophobicContact CB-CD1 4.09Å; F491-L547 HydrophobicContact CB-CD2 3.85Å; F491-L547 HydrophobicContact CD1-CD2 4.33Å; F491-L547 HydrophobicContact CG-CD2 4.29Å; V499-L547 HydrophobicContact CB-CG 4.26Å; V499-L547 HydrophobicContact CG2-CD1 3.8Å; V499-L547 HydrophobicContact CG2-CD2 3.65Å; V499-L547 HydrophobicContact CG2-CG 3.52Å; L504-L547 HydrophobicContact CD1-CD2 3.87Å; L504-L547 HydrophobicContact CD2-CD2 4.44Å
548	P	96.8	Very high	96.2	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.045	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-58.9	140.1	170.6	-24.5	35.1	0	0	0	111.6	L488 P489 Y544 D552 P563	L488-P548 HydrophobicContact CD2-CG 3.78Å; P489-P548 VanDerWaalsContact CA-O 3.25Å; P489-P548 WeakPolarHBondContact CA-O 3.33Å; P489-P548 WeakPolarHBondContact CB-O 3.49Å; P489-P548 WeakPolarHBondContact CG-O 3.34Å; Y544-P548 HydrophobicContact CD1-CG 3.89Å; Y544-P548 HydrophobicContact CD2-CG 4.18Å; Y544-P548 HydrophobicContact CE1-CG 3.78Å; Y544-P548 HydrophobicContact CE2-CG 4.05Å; Y544-P548 HydrophobicContact CG-CG 4.1Å; P548-D552 HydrophobicContact CB-CB 4.36Å; P548-P563 HydrophobicContact CB-CG 3.95Å
549	T	96.6	Very high	95.6	Very high	71 Å²	71	55.5 Å²	55.5	44%	0.436	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-80.3	167	179.6	71.2	0	0	0	0	111.8	Q551 D552 M553	T549-Q551 PolarHBondContact O-N 3.09Å; T549-Q551 PolarHBondContact OG1-N 3.4Å; T549-D552 WeakPolarHBondContact CB-OD2 3.46Å; T549-D552 WeakPolarHBondContact CG2-OD2 3.37Å; T549-D552 PolarHBondContact N-OD2 2.96Å; T549-D552 PolarHBondContact O-N 3.15Å; T549-D552 PolarHBondContact OG1-N 3.34Å; T549-D552 VanDerWaalsContact OG1-N 3.14Å; T549-D552 PolarHBondContact OG1-OD2 3Å; T549-M553 WeakPolarHBondContact O-CG 3.38Å; T549-M553 PolarHBondContact O-N 2.87Å; T549-M553 VanDerWaalsContact O-N 3.11Å
550	A	95.4	Very high	95.4	Very high	62 Å²	62	59.3 Å²	59.3	51%	0.512	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-27.8	172.7	0	0	0	0	0	112.5	P489 K554	P489-A550 HydrophobicContact CB-CB 4.48Å; A550-K554 WeakPolarHBondContact O-CG 3.34Å; A550-K554 PolarHBondContact O-N 2.89Å
551	Q	96.1	Very high	95.2	Very high	110 Å²	110	59.6 Å²	59.6	51%	0.514	32%	0.319	S	S	.	.	H	α-helix	trans	-74.3	-42.9	176.2	-173.8	59.8	19.3	0	0	111.1	T549 M553 K554 T555	T549-Q551 PolarHBondContact O-N 3.09Å; T549-Q551 PolarHBondContact OG1-N 3.4Å; Q551-M553 PolarHBondContact O-N 2.9Å; Q551-K554 WeakPolarHBondContact O-CA 3.28Å; Q551-K554 WeakPolarHBondContact O-CB 3.3Å; Q551-K554 PolarHBondContact O-N 2.87Å; Q551-T555 PolarHBondContact O-N 3.14Å; Q551-T555 PolarHBondContact O-OG1 3.31Å; Q551-T555 VanDerWaalsContact O-OG1 3.13Å
552	D	96.8	Very high	95.1	Very high	64 Å²	64	59.6 Å²	59.6	34%	0.342	32%	0.319	S	S	.	.	H	α-helix	trans	-58.6	-40	175.7	-57.7	-41.9	0	0	0	111.4	P548 T549 K554 T555 R556 P563	P548-D552 HydrophobicContact CB-CB 4.36Å; T549-D552 WeakPolarHBondContact CB-OD2 3.46Å; T549-D552 WeakPolarHBondContact CG2-OD2 3.37Å; T549-D552 PolarHBondContact N-OD2 2.96Å; T549-D552 PolarHBondContact O-N 3.15Å; T549-D552 PolarHBondContact OG1-N 3.34Å; T549-D552 VanDerWaalsContact OG1-N 3.14Å; T549-D552 PolarHBondContact OG1-OD2 3Å; D552-K554 VanDerWaalsContact C-N 3.25Å; D552-K554 PolarHBondContact O-N 2.81Å; D552-T555 PolarHBondContact O-N 3.16Å; D552-T555 PolarHBondContact O-OG1 2.78Å; D552-R556 PolarHBondContact O-N 2.85Å; D552-P563 VanDerWaalsContact C-CG 3.47Å; D552-P563 HydrophobicContact CB-CB 3.84Å; D552-P563 HydrophobicContact CB-CG 3.73Å; D552-P563 WeakPolarHBondContact O-CG 3.31Å
553	M	95.9	Very high	95.1	Very high	13 Å²	13	60 Å²	60	6%	0.064	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-33.1	174.5	-67.9	-60	-70	0	0	112.6	P489 T549 Q551 R556 L562 P563	P489-M553 HydrophobicContact CG-CB 4.5Å; P489-M553 HydrophobicContact CG-CG 3.44Å; P489-M553 VanDerWaalsContact CG-CG 3.44Å; T549-M553 WeakPolarHBondContact O-CG 3.38Å; T549-M553 PolarHBondContact O-N 2.87Å; T549-M553 VanDerWaalsContact O-N 3.11Å; Q551-M553 PolarHBondContact O-N 2.9Å; M553-R556 WeakPolarHBondContact O-CD 3.42Å; M553-R556 WeakPolarHBondContact O-CG 3.41Å; M553-R556 PolarHBondContact O-NH1 3Å; M553-L562 HydrophobicContact CE-CD2 4.39Å; M553-L562 HydrophobicContact SD-CD2 4.45Å; M553-P563 HydrophobicContact CG-CG 4.37Å; M553-P563 WeakPolarHBondContact SD-CD 3.4Å; M553-P563 HydrophobicContact SD-CG 3.61Å
554	K	93.8	Very high	95	Very high	166 Å²	166	69.6 Å²	69.6	72%	0.722	36%	0.357	S	S	*	.	H	α-helix	trans	-78.3	-35.4	178.2	-70.4	174.7	-177.3	178.9	0	112.5	A550 Q551 D552	A550-K554 WeakPolarHBondContact O-CG 3.34Å; A550-K554 PolarHBondContact O-N 2.89Å; Q551-K554 WeakPolarHBondContact O-CA 3.28Å; Q551-K554 WeakPolarHBondContact O-CB 3.3Å; Q551-K554 PolarHBondContact O-N 2.87Å; D552-K554 VanDerWaalsContact C-N 3.25Å; D552-K554 PolarHBondContact O-N 2.81Å
555	T	94.8	Very high	95	Very high	90 Å²	90	69.6 Å²	69.6	55%	0.552	36%	0.36	S	S	*	.	H	α-helix	trans	-93.7	5	-177	56.9	0	0	0	0	113.6	Q551 D552	Q551-T555 PolarHBondContact O-N 3.14Å; Q551-T555 PolarHBondContact O-OG1 3.31Å; Q551-T555 VanDerWaalsContact O-OG1 3.13Å; D552-T555 PolarHBondContact O-N 3.16Å; D552-T555 PolarHBondContact O-OG1 2.78Å
556	R	95.1	Very high	95	Very high	79 Å²	79	72.2 Å²	72.2	30%	0.298	37%	0.367	S	S	.	.	S	Bend	trans	-56.9	150.3	178.9	71.5	-174.3	-173.4	-107.6	7.5	112.1	D552 M553 H558 W560 P563	D552-R556 PolarHBondContact O-N 2.85Å; M553-R556 WeakPolarHBondContact O-CD 3.42Å; M553-R556 WeakPolarHBondContact O-CG 3.41Å; M553-R556 PolarHBondContact O-NH1 3Å; R556-H558 PolarHBondContact O-N 3.07Å; R556-W560 WeakPolarHBondContact CD-O 3.49Å; R556-W560 PolarHBondContact NE-O 2.5Å; R556-P563 HydrophobicContact CB-CB 4.24Å; R556-P563 HydrophobicContact CB-CG 4.27Å
557	P	93.5	Very high	95.1	Very high	52 Å²	52	69.1 Å²	69.1	34%	0.338	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-53	142.1	178.5	-25.3	34.1	0	0	0	112.2	G559 W560	P557-G559 PolarHBondContact O-N 3.02Å; P557-W560 HydrophobicContact CB-CB 4.28Å; P557-W560 HydrophobicContact CB-CD2 4.13Å; P557-W560 HydrophobicContact CB-CG 3.84Å; P557-W560 HydrophobicContact CG-CD2 4.17Å; P557-W560 HydrophobicContact CG-CE3 4.36Å; P557-W560 HydrophobicContact CG-CG 4.29Å; P557-W560 WeakPolarHBondContact O-CB 3.28Å; P557-W560 PolarHBondContact O-N 3.14Å
558	H	89.1	Confident	95.2	Very high	192 Å²	192	70.1 Å²	70.1	89%	0.889	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	128.8	-178.5	179.4	-86.4	0	0	0	111	R556 W560	R556-H558 PolarHBondContact O-N 3.07Å; H558-W560 VanDerWaalsContact C-N 3.29Å; H558-W560 PolarHBondContact O-N 3.44Å
559	G	86.2	Confident	95.2	Very high	33 Å²	33	71 Å²	71	34%	0.34	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-6.8	-179.4	0	0	0	0	0	115.4	K513 P557	K513-G559 WeakPolarHBondContact CE-O 3.46Å; K513-G559 PolarHBondContact NZ-O 3.43Å; P557-G559 PolarHBondContact O-N 3.02Å
560	W	92.8	Very high	95.3	Very high	80 Å²	80	69.2 Å²	69.2	30%	0.303	34%	0.342	S	S	.	.			trans	-81.7	141.8	175.9	-75.7	38.7	0	0	0	111.4	Y542 R556 P557 H558 L562 I568	Y542-W560 AromaticContact CE1-CE3 3.85Å; Y542-W560 HydrophobicContact CE1-CE3 3.85Å; Y542-W560 AromaticContact CE1-CZ3 3.83Å; Y542-W560 HydrophobicContact CE1-CZ3 3.83Å; R556-W560 WeakPolarHBondContact CD-O 3.49Å; R556-W560 PolarHBondContact NE-O 2.5Å; P557-W560 HydrophobicContact CB-CB 4.28Å; P557-W560 HydrophobicContact CB-CD2 4.13Å; P557-W560 HydrophobicContact CB-CG 3.84Å; P557-W560 HydrophobicContact CG-CD2 4.17Å; P557-W560 HydrophobicContact CG-CE3 4.36Å; P557-W560 HydrophobicContact CG-CG 4.29Å; P557-W560 WeakPolarHBondContact O-CB 3.28Å; P557-W560 PolarHBondContact O-N 3.14Å; H558-W560 VanDerWaalsContact C-N 3.29Å; H558-W560 PolarHBondContact O-N 3.44Å; W560-L562 VanDerWaalsContact C-N 3.33Å; W560-I568 HydrophobicContact CH2-CD1 3.7Å; W560-I568 HydrophobicContact CZ3-CD1 3.72Å
561	P	94.8	Very high	95.4	Very high	6 Å²	6	66.3 Å²	66.3	4%	0.039	32%	0.318	C	S	.	.	S	Bend	trans	-72.6	-29.2	176.2	28.2	-33.9	0	0	0	112.5	E464 V508 Q510	E464-P561 HydrophobicContact CB-CB 3.88Å; E464-P561 HydrophobicContact CB-CG 4.46Å; E464-P561 HydrophobicContact CG-CB 4.05Å; E464-P561 HydrophobicContact CG-CG 4.08Å; V508-P561 HydrophobicContact CG1-CG 4.13Å; Q510-P561 HydrophobicContact CG-CG 4.36Å; Q510-P561 VanDerWaalsContact NE2-CG 3.34Å
562	L	97.2	Very high	95.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-131.3	159.1	-174.5	-64.2	175.3	0	0	0	111.6	L485 L488 V506 V508 Y542 Y544 M553 W560	L485-L562 HydrophobicContact CB-CD2 4.16Å; L485-L562 HydrophobicContact CD2-CD1 4.48Å; L485-L562 HydrophobicContact CD2-CD2 4.47Å; L488-L562 HydrophobicContact CD2-CD2 3.94Å; V506-L562 HydrophobicContact CB-CD1 4Å; V506-L562 HydrophobicContact CG1-CD1 3.76Å; V508-L562 HydrophobicContact CG2-CD1 3.76Å; Y542-L562 HydrophobicContact CD1-CB 4.04Å; Y542-L562 HydrophobicContact CD1-CD1 4.24Å; Y542-L562 HydrophobicContact CD2-CD1 3.98Å; Y542-L562 HydrophobicContact CE1-CB 4.08Å; Y542-L562 HydrophobicContact CE2-CD1 4.45Å; Y542-L562 HydrophobicContact CG-CD1 3.9Å; Y544-L562 WeakPolarHBondContact OH-CB 3.24Å; M553-L562 HydrophobicContact CE-CD2 4.39Å; M553-L562 HydrophobicContact SD-CD2 4.45Å; W560-L562 VanDerWaalsContact C-N 3.33Å
563	P	97.5	Very high	95.3	Very high	9 Å²	9	59 Å²	59	6%	0.058	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66.2	165.9	176.9	-20	36.7	0	0	0	111.7	Y544 P548 D552 M553 R556 P565	Y544-P563 PolarHBondContact OH-O 3.2Å; P548-P563 HydrophobicContact CB-CG 3.95Å; D552-P563 VanDerWaalsContact C-CG 3.47Å; D552-P563 HydrophobicContact CB-CB 3.84Å; D552-P563 HydrophobicContact CB-CG 3.73Å; D552-P563 WeakPolarHBondContact O-CG 3.31Å; M553-P563 HydrophobicContact CG-CG 4.37Å; M553-P563 WeakPolarHBondContact SD-CD 3.4Å; M553-P563 HydrophobicContact SD-CG 3.61Å; R556-P563 HydrophobicContact CB-CB 4.24Å; R556-P563 HydrophobicContact CB-CG 4.27Å; P563-P565 VanDerWaalsContact O-CD 3.31Å; P563-P565 WeakPolarHBondContact O-CD 3.48Å; P563-P565 VanDerWaalsContact O-N 3.14Å
564	R	96.8	Very high	95.3	Very high	214 Å²	214	60.3 Å²	60.3	81%	0.808	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-58.7	119.7	179.7	-170	174.3	-173.9	170.9	1.8	110.2
565	P	97.4	Very high	95.1	Very high	17 Å²	17	61.8 Å²	61.8	11%	0.11	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-82.1	171.4	178.6	36.3	-36.9	0	0	0	111.3	Y542 Y543 Y544 P563 A567 I568	Y542-P565 HydrophobicContact CD1-CB 3.98Å; Y542-P565 HydrophobicContact CD1-CG 3.58Å; Y542-P565 HydrophobicContact CE1-CG 4.25Å; Y542-P565 HydrophobicContact CG-CB 4.48Å; Y542-P565 HydrophobicContact CG-CG 4.3Å; Y543-P565 VanDerWaalsContact O-CB 3.28Å; Y543-P565 WeakPolarHBondContact O-CB 3.44Å; Y544-P565 HydrophobicContact CD1-CB 4.17Å; Y544-P565 VanDerWaalsContact CE1-CA 3.44Å; Y544-P565 HydrophobicContact CE1-CB 3.75Å; Y544-P565 HydrophobicContact CE2-CB 4.37Å; P563-P565 VanDerWaalsContact O-CD 3.31Å; P563-P565 WeakPolarHBondContact O-CD 3.48Å; P563-P565 VanDerWaalsContact O-N 3.14Å; P565-A567 WeakPolarHBondContact CB-O 3.31Å; P565-A567 WeakPolarHBondContact CG-O 3.39Å; P565-I568 HydrophobicContact CG-CB 3.74Å; P565-I568 HydrophobicContact CG-CD1 4.39Å; P565-I568 HydrophobicContact CG-CG1 4.34Å
566	K	97.2	Very high	94.9	Very high	128 Å²	128	62.5 Å²	62.5	56%	0.557	30%	0.296	S	S	*	.	S	Bend	trans	-70.6	-38.6	172	176.6	168.3	169.9	-173.5	0	111.6	Y543 D545	Y543-K566 HydrophobicContact CD1-CB 4.12Å; Y543-K566 HydrophobicContact CD1-CD 4.39Å; Y543-K566 HydrophobicContact CD1-CG 4.33Å; Y543-K566 HydrophobicContact CE1-CB 4.42Å; Y543-K566 HydrophobicContact CE1-CD 3.92Å; Y543-K566 HydrophobicContact CE1-CG 4.34Å; Y543-K566 PolarHBondContact O-N 2.81Å; D545-K566 WeakPolarHBondContact OD1-CD 3.4Å; D545-K566 IonicContact OD1-NZ 3.66Å; D545-K566 PolarHBondContact OD1-NZ 2.92Å; D545-K566 WeakPolarHBondContact OD2-CD 3.46Å; D545-K566 WeakPolarHBondContact OD2-CE 3.25Å; D545-K566 IonicContact OD2-NZ 3.83Å; D545-K566 PolarHBondContact OD2-NZ 3.21Å
567	A	97.8	Very high	94.8	Very high	17 Å²	17	59.6 Å²	59.6	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.3	170.3	0	0	0	0	0	109.8	Y543 P565 F592	Y543-A567 HydrophobicContact CD1-CB 4.27Å; Y543-A567 PolarHBondContact N-O 3.13Å; P565-A567 WeakPolarHBondContact CB-O 3.31Å; P565-A567 WeakPolarHBondContact CG-O 3.39Å; A567-F592 HydrophobicContact CB-CE2 3.78Å
568	I	97.6	Very high	94.8	Very high	62 Å²	62	59.8 Å²	59.8	32%	0.318	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.2	178.2	-168.9	168.2	0	0	0	109.3	V540 L541 Y542 W560 P565	V540-I568 HydrophobicContact CG1-CD1 3.83Å; V540-I568 HydrophobicContact CG1-CG1 3.79Å; L541-I568 WeakPolarHBondContact O-CA 3.12Å; Y542-I568 HydrophobicContact CD1-CD1 4.27Å; Y542-I568 HydrophobicContact CE1-CD1 3.71Å; Y542-I568 HydrophobicContact CE2-CD1 4.33Å; W560-I568 HydrophobicContact CH2-CD1 3.7Å; W560-I568 HydrophobicContact CZ3-CD1 3.72Å; P565-I568 HydrophobicContact CG-CB 3.74Å; P565-I568 HydrophobicContact CG-CD1 4.39Å; P565-I568 HydrophobicContact CG-CG1 4.34Å
569	H	97.9	Very high	95.1	Very high	27 Å²	27	50.9 Å²	50.9	13%	0.125	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121	172.6	177	56.2	0	0	0	110.1	V540 L541 L589 F592	V540-H569 CarbonylContact C-O 3.52Å; V540-H569 WeakPolarHBondContact CA-O 3.3Å; L541-H569 HydrophobicContact CB-CB 4.48Å; L541-H569 PolarHBondContact N-O 3.23Å; L541-H569 PolarHBondContact O-N 2.73Å; H569-L589 PolarHBondContact NE2-N 3.4Å; H569-F592 HydrophobicContact CB-CB 3.88Å; H569-F592 HydrophobicContact CB-CD1 3.73Å; H569-F592 HydrophobicContact CB-CD2 3.45Å; H569-F592 VanDerWaalsContact CB-CD2 3.45Å; H569-F592 HydrophobicContact CB-CE1 4.07Å; H569-F592 HydrophobicContact CB-CE2 3.78Å; H569-F592 HydrophobicContact CB-CG 3.39Å; H569-F592 HydrophobicContact CB-CZ 4.08Å; H569-F592 AromaticContact CG-CG 3.94Å
570	H	97.8	Very high	95.5	Very high	32 Å²	32	53.9 Å²	53.9	15%	0.148	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.6	167.5	-68.9	-105.8	0	0	0	107.9	A531 H538 V540	A531-H570 HydrophobicContact CB-CB 3.81Å; A531-H570 WeakPolarHBondContact CB-O 3.02Å; H538-H570 AromaticContact CD2-ND1 3.76Å; H538-H570 AromaticContact NE2-CE1 3.92Å; H538-H570 AromaticContact NE2-ND1 3.04Å; H538-H570 PolarHBondContact NE2-ND1 3.35Å; V540-H570 WeakPolarHBondContact CG2-ND1 3.34Å
571	M	97.7	Very high	95.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-81.9	135.6	161.4	-62	-178.8	72.3	0	0	107	L450 H538 P539 L541 W579 H585 L589	L450-M571 HydrophobicContact CD2-CE 4.18Å; H538-M571 WeakPolarHBondContact CB-O 3.49Å; H538-M571 PolarHBondContact CD2-O 3Å; P539-M571 HydrophobicContact CB-CB 4.23Å; P539-M571 HydrophobicContact CB-CG 4.34Å; P539-M571 HydrophobicContact CB-SD 3.91Å; P539-M571 HydrophobicContact CG-CB 4.2Å; P539-M571 HydrophobicContact CG-SD 4.09Å; P539-M571 PolarHBondContact O-N 2.73Å; L541-M571 HydrophobicContact CD1-CG 4.23Å; L541-M571 HydrophobicContact CD1-SD 4.21Å; M571-W579 HydrophobicContact CE-CB 3.8Å; M571-W579 HydrophobicContact CE-CG 4.36Å; M571-H585 HydrophobicContact CE-CB 3.85Å; M571-L589 HydrophobicContact CE-CD2 4.22Å; M571-L589 HydrophobicContact SD-CD2 4.31Å
572	V	96.9	Very high	95.6	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.024	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-62.3	144.9	178.4	67.5	0	0	0	0	109.8	E525 W528 A531 W579 H585	E525-V572 HydrophobicContact CB-CG2 4.46Å; E525-V572 WeakPolarHBondContact O-CG2 3.49Å; W528-V572 HydrophobicContact CB-CG1 4.19Å; A531-V572 HydrophobicContact CB-CB 3.93Å; V572-W579 VanDerWaalsContact O-CD1 3.3Å; V572-W579 PolarHBondContact O-NE1 3.38Å; V572-H585 WeakPolarHBondContact CG1-NE2 3.37Å
573	E	94.8	Very high	95.5	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.075	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-58.9	149.1	174.4	61.1	-169.3	-151.1	0	0	112.1	S524 E525 S534 N535 F536 H538	S524-E573 VanDerWaalsContact C-OE1 3.3Å; S524-E573 WeakPolarHBondContact CA-OE1 3.28Å; S524-E573 WeakPolarHBondContact CB-OE1 3.37Å; E525-E573 PolarHBondContact N-OE1 3.27Å; E525-E573 WeakPolarHBondContact O-CG 3.28Å; S534-E573 WeakPolarHBondContact CA-OE2 3.44Å; S534-E573 VanDerWaalsContact CB-OE2 3.29Å; S534-E573 WeakPolarHBondContact CB-OE2 3.4Å; S534-E573 PolarHBondContact OG-N 3.31Å; N535-E573 PolarHBondContact N-OE2 3.27Å; F536-E573 WeakPolarHBondContact CA-OE2 3.34Å; F536-E573 HydrophobicContact CB-CB 4.29Å; F536-E573 WeakPolarHBondContact CB-OE2 3.37Å; F536-E573 WeakPolarHBondContact CD2-OE1 3.36Å; F536-E573 PolarHBondContact N-OE2 3.42Å; H538-E573 HydrophobicContact CB-CB 4.05Å
574	D	94.3	Very high	95.4	Very high	41 Å²	41	62.7 Å²	62.7	22%	0.219	31%	0.311	C	S	.	.			trans	-132.5	131.5	178.1	-176.2	-86.6	0	0	0	110	L576 T577 E578	D574-L576 VanDerWaalsContact C-N 3.32Å; D574-L576 PolarHBondContact O-N 3.39Å; D574-L576 WeakPolarHBondContact OD1-CA 3.49Å; D574-L576 WeakPolarHBondContact OD1-CB 3.5Å; D574-L576 PolarHBondContact OD1-N 3.41Å; D574-T577 PolarHBondContact O-N 3.44Å; D574-T577 VanDerWaalsContact O-N 3.11Å; D574-T577 PolarHBondContact OD1-N 2.99Å; D574-E578 WeakPolarHBondContact CB-O 3.49Å; D574-E578 PolarHBondContact OD1-N 3.45Å
575	F	90.3	Very high	95.4	Very high	197 Å²	197	52.7 Å²	52.7	86%	0.864	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.9	-174.5	-170.4	-98.6	0	0	0	112.9	T577	F575-T577 VanDerWaalsContact C-N 3.27Å
576	L	91.3	Very high	95.3	Very high	105 Å²	105	54 Å²	54	55%	0.55	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.8	176.7	-58.3	179.8	0	0	0	111.8	D574 E578	D574-L576 VanDerWaalsContact C-N 3.32Å; D574-L576 PolarHBondContact O-N 3.39Å; D574-L576 WeakPolarHBondContact OD1-CA 3.49Å; D574-L576 WeakPolarHBondContact OD1-CB 3.5Å; D574-L576 PolarHBondContact OD1-N 3.41Å; L576-E578 HydrophobicContact CB-CB 4.34Å; L576-E578 HydrophobicContact CB-CG 3.92Å; L576-E578 PolarHBondContact O-N 2.93Å
577	T	92.3	Very high	95.2	Very high	18 Å²	18	52.1 Å²	52.1	11%	0.11	27%	0.272	C	S	.	.	S	Bend	trans	60.4	34.7	-172	68.8	0	0	0	0	112.1	Y460 D574 F575 W579	Y460-T577 HydrophobicContact CE2-CG2 3.95Å; D574-T577 PolarHBondContact O-N 3.44Å; D574-T577 VanDerWaalsContact O-N 3.11Å; D574-T577 PolarHBondContact OD1-N 2.99Å; F575-T577 VanDerWaalsContact C-N 3.27Å; T577-W579 HydrophobicContact CG2-CH2 4.2Å; T577-W579 VanDerWaalsContact O-CZ3 3.27Å; T577-W579 WeakPolarHBondContact O-CZ3 3.14Å
578	E	92.9	Very high	95.2	Very high	57 Å²	57	52 Å²	52	27%	0.266	27%	0.27	S	S	.	.			trans	-110.5	106.9	179.3	-66.1	178.6	-169.9	0	0	109.9	R89 D574 L576 D580 H585	R89-E578 IonicContact CZ-OE1 2.82Å; R89-E578 IonicContact NH1-OE1 2.64Å; R89-E578 VanDerWaalsContact NH2-CD 3.27Å; R89-E578 IonicContact NH2-OE1 2.71Å; R89-E578 PolarHBondContact NH2-OE1 2.88Å; D574-E578 WeakPolarHBondContact CB-O 3.49Å; D574-E578 PolarHBondContact OD1-N 3.45Å; L576-E578 HydrophobicContact CB-CB 4.34Å; L576-E578 HydrophobicContact CB-CG 3.92Å; L576-E578 PolarHBondContact O-N 2.93Å; E578-D580 PolarHBondContact O-N 3.48Å; E578-H585 PolarHBondContact O-CE1 2.85Å
579	W	95.9	Very high	95.2	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.019	26%	0.255	C	S	.	.			trans	-101.9	47.3	-176.3	-69.9	-77.2	0	0	0	113.2	L450 V453 M509 P539 M571 V572 T577 H585	L450-W579 WeakPolarHBondContact CD2-O 3.37Å; V453-W579 HydrophobicContact CB-CE3 4.14Å; V453-W579 HydrophobicContact CG2-CB 3.78Å; V453-W579 HydrophobicContact CG2-CE3 4.28Å; V453-W579 HydrophobicContact CG2-CG 4.39Å; V453-W579 VanDerWaalsContact O-CE3 3.29Å; V453-W579 WeakPolarHBondContact O-CZ3 3.33Å; M509-W579 HydrophobicContact CE-CH2 3.61Å; M509-W579 HydrophobicContact CE-CZ2 4.09Å; M509-W579 HydrophobicContact CE-CZ3 4.11Å; P539-W579 VanDerWaalsContact CD-CE2 3.4Å; P539-W579 HydrophobicContact CG-CD2 3.8Å; P539-W579 HydrophobicContact CG-CE3 4.3Å; P539-W579 HydrophobicContact CG-CG 4.03Å; P539-W579 HydrophobicContact CG-CZ2 4.29Å; M571-W579 HydrophobicContact CE-CB 3.8Å; M571-W579 HydrophobicContact CE-CG 4.36Å; V572-W579 VanDerWaalsContact O-CD1 3.3Å; V572-W579 PolarHBondContact O-NE1 3.38Å; T577-W579 HydrophobicContact CG2-CH2 4.2Å; T577-W579 VanDerWaalsContact O-CZ3 3.27Å; T577-W579 WeakPolarHBondContact O-CZ3 3.14Å; W579-H585 VanDerWaalsContact C-ND1 3.28Å; W579-H585 VanDerWaalsContact CA-ND1 3.33Å; W579-H585 WeakPolarHBondContact CA-ND1 3.07Å; W579-H585 AromaticContact CD1-CD2 3.91Å; W579-H585 AromaticContact CD1-NE2 3.73Å; W579-H585 WeakPolarHBondContact O-CB 3.44Å
580	D	94.9	Very high	95.1	Very high	96 Å²	96	50.7 Å²	50.7	51%	0.513	26%	0.26	S	S	.	.			trans	-120.8	0.6	-172.1	65.4	-3	0	0	0	114.9	E578 H585 I586	E578-D580 PolarHBondContact O-N 3.48Å; D580-H585 PolarHBondContact N-ND1 3.09Å; D580-I586 WeakPolarHBondContact O-CD1 3.4Å; D580-I586 WeakPolarHBondContact O-CG1 3.49Å
581	T	95.6	Very high	95	Very high	50 Å²	50	56.5 Å²	56.5	31%	0.307	28%	0.281	S	S	.	.			trans	-59.1	135.4	177	72.1	0	0	0	0	112.6	L583 S584 H585 I586	T581-L583 PolarHBondContact O-N 2.82Å; T581-S584 WeakPolarHBondContact OG1-CB 3.46Å; T581-H585 PolarHBondContact N-ND1 2.94Å; T581-H585 WeakPolarHBondContact O-CB 3.36Å; T581-H585 PolarHBondContact O-N 2.94Å; T581-H585 VanDerWaalsContact O-N 3.16Å; T581-H585 PolarHBondContact OG1-CE1 2.94Å; T581-H585 PolarHBondContact OG1-ND1 2.8Å; T581-I586 PolarHBondContact O-N 3Å
582	P	94.2	Very high	95	Very high	87 Å²	87	57.4 Å²	57.4	57%	0.565	29%	0.285	S	S	*	.	I	π-helix	trans	-60.7	-42.6	-174.8	-28.6	35.6	0	0	0	114.7	Q587	P582-Q587 WeakPolarHBondContact O-CB 3.42Å; P582-Q587 WeakPolarHBondContact O-CG 3.08Å; P582-Q587 PolarHBondContact O-N 2.91Å
583	L	95	Very high	95.1	Very high	110 Å²	110	57.2 Å²	57.2	58%	0.576	28%	0.283	S	S	*	.	I	π-helix	trans	-84.7	-46.5	-173.5	-65.9	176.8	0	0	0	112.6	T581 P588	T581-L583 PolarHBondContact O-N 2.82Å; L583-P588 WeakPolarHBondContact O-CD 3.47Å; L583-P588 WeakPolarHBondContact O-CG 3.31Å
584	S	95	Very high	95.1	Very high	33 Å²	33	57.6 Å²	57.6	23%	0.231	29%	0.285	C	S	.	.	I	π-helix	trans	-86.1	-26.7	-171.9	-55.1	0	0	0	0	113.4	W528 T581	W528-S584 WeakPolarHBondContact CB-O 3.38Å; T581-S584 WeakPolarHBondContact OG1-CB 3.46Å
585	H	96.5	Very high	95.1	Very high	4 Å²	4	61 Å²	61	2%	0.019	30%	0.3	C	S	.	.	I	π-helix	trans	-115.1	-58.8	-174.4	-53.7	143.5	0	0	0	112.4	M571 V572 E578 W579 D580 T581 L589	M571-H585 HydrophobicContact CE-CB 3.85Å; V572-H585 WeakPolarHBondContact CG1-NE2 3.37Å; E578-H585 PolarHBondContact O-CE1 2.85Å; W579-H585 VanDerWaalsContact C-ND1 3.28Å; W579-H585 VanDerWaalsContact CA-ND1 3.33Å; W579-H585 WeakPolarHBondContact CA-ND1 3.07Å; W579-H585 AromaticContact CD1-CD2 3.91Å; W579-H585 AromaticContact CD1-NE2 3.73Å; W579-H585 WeakPolarHBondContact O-CB 3.44Å; D580-H585 PolarHBondContact N-ND1 3.09Å; T581-H585 PolarHBondContact N-ND1 2.94Å; T581-H585 WeakPolarHBondContact O-CB 3.36Å; T581-H585 PolarHBondContact O-N 2.94Å; T581-H585 VanDerWaalsContact O-N 3.16Å; T581-H585 PolarHBondContact OG1-CE1 2.94Å; T581-H585 PolarHBondContact OG1-ND1 2.8Å; H585-L589 WeakPolarHBondContact O-CB 3.44Å; H585-L589 PolarHBondContact O-N 2.8Å
586	I	96.4	Very high	95.3	Very high	45 Å²	45	51.9 Å²	51.9	23%	0.231	26%	0.26	C	S	.	.	I	π-helix	trans	-69.7	-50.6	-169.1	-62.5	-177.9	0	0	0	112	M446 L450 D580 T581 L589 R590	M446-I586 HydrophobicContact CE-CG2 3.93Å; M446-I586 HydrophobicContact SD-CG2 3.89Å; L450-I586 HydrophobicContact CD1-CD1 4.28Å; L450-I586 HydrophobicContact CD1-CG1 3.94Å; L450-I586 HydrophobicContact CD2-CG1 4.27Å; D580-I586 WeakPolarHBondContact O-CD1 3.4Å; D580-I586 WeakPolarHBondContact O-CG1 3.49Å; T581-I586 PolarHBondContact O-N 3Å; I586-L589 PolarHBondContact O-N 3.17Å; I586-R590 WeakPolarHBondContact O-CB 3.47Å; I586-R590 PolarHBondContact O-N 3.05Å
587	Q	94.9	Very high	95.4	Very high	88 Å²	88	47.8 Å²	47.8	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-48.9	-176.7	-78	176.9	18.1	0	0	113	P582 R590 R591	P582-Q587 WeakPolarHBondContact O-CB 3.42Å; P582-Q587 WeakPolarHBondContact O-CG 3.08Å; P582-Q587 PolarHBondContact O-N 2.91Å; Q587-R590 PolarHBondContact O-N 3.09Å; Q587-R591 WeakPolarHBondContact O-CG 3.46Å; Q587-R591 PolarHBondContact O-N 3.49Å; Q587-R591 VanDerWaalsContact O-N 3.07Å
588	P	96.8	Very high	95.3	Very high	15 Å²	15	54 Å²	54	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-42.2	177.9	-24.9	37.1	0	0	0	112.3	W528 L583 R590 R591 F592	W528-P588 HydrophobicContact CD2-CG 3.89Å; W528-P588 HydrophobicContact CE3-CB 4.05Å; W528-P588 HydrophobicContact CE3-CG 3.41Å; W528-P588 VanDerWaalsContact CE3-CG 3.41Å; W528-P588 HydrophobicContact CG-CG 4.46Å; W528-P588 HydrophobicContact CZ3-CB 4.27Å; W528-P588 HydrophobicContact CZ3-CG 3.8Å; L583-P588 WeakPolarHBondContact O-CD 3.47Å; L583-P588 WeakPolarHBondContact O-CG 3.31Å; P588-R590 PolarHBondContact O-N 3.04Å; P588-R591 PolarHBondContact O-N 3.15Å; P588-F592 PolarHBondContact O-N 3.23Å
589	L	97.8	Very high	95	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-47.6	176.1	176.3	61.6	0	0	0	111	M446 I449 L450 L541 H569 M571 H585 I586 R591 F592 L593	M446-L589 HydrophobicContact CG-CD2 4.07Å; M446-L589 HydrophobicContact CG-CG 4.38Å; I449-L589 HydrophobicContact CB-CD2 4.47Å; I449-L589 HydrophobicContact CG2-CD1 4.45Å; I449-L589 HydrophobicContact CG2-CD2 3.91Å; L450-L589 HydrophobicContact CD2-CD2 3.87Å; L450-L589 HydrophobicContact CG-CD2 4.06Å; L541-L589 HydrophobicContact CD1-CD1 4.13Å; L541-L589 HydrophobicContact CD2-CD1 3.66Å; H569-L589 PolarHBondContact NE2-N 3.4Å; M571-L589 HydrophobicContact CE-CD2 4.22Å; M571-L589 HydrophobicContact SD-CD2 4.31Å; H585-L589 WeakPolarHBondContact O-CB 3.44Å; H585-L589 PolarHBondContact O-N 2.8Å; I586-L589 PolarHBondContact O-N 3.17Å; L589-R591 VanDerWaalsContact C-N 3.32Å; L589-R591 PolarHBondContact O-N 2.99Å; L589-F592 PolarHBondContact O-N 2.85Å; L589-L593 HydrophobicContact CD1-CD1 4.12Å; L589-L593 HydrophobicContact CD1-CD2 4.49Å; L589-L593 HydrophobicContact CD1-CG 4.09Å; L589-L593 HydrophobicContact CG-CD1 4.04Å; L589-L593 HydrophobicContact CG-CG 4.4Å; L589-L593 VanDerWaalsContact O-CG 3.31Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.47Å
590	R	96.6	Very high	94.6	Very high	60 Å²	60	55.5 Å²	55.5	23%	0.226	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-46.9	177.1	-172.6	179.6	62.7	-160.3	-4.9	111.2	M446 I586 Q587 P588 F592 L593 E594	M446-R590 HydrophobicContact SD-CB 3.71Å; M446-R590 HydrophobicContact SD-CG 4.14Å; I586-R590 WeakPolarHBondContact O-CB 3.47Å; I586-R590 PolarHBondContact O-N 3.05Å; Q587-R590 PolarHBondContact O-N 3.09Å; P588-R590 PolarHBondContact O-N 3.04Å; R590-F592 VanDerWaalsContact C-N 3.33Å; R590-F592 PolarHBondContact O-N 3.34Å; R590-L593 PolarHBondContact O-N 2.81Å; R590-E594 WeakPolarHBondContact CD-OE1 3.46Å; R590-E594 HydrophobicContact CG-CG 4.23Å; R590-E594 WeakPolarHBondContact CG-OE1 3.43Å; R590-E594 IonicContact NE-OE1 2.94Å; R590-E594 WeakPolarHBondContact O-CB 3.46Å; R590-E594 VanDerWaalsContact O-CG 3.31Å; R590-E594 WeakPolarHBondContact O-CG 3.4Å; R590-E594 PolarHBondContact O-N 2.8Å
591	R	96.1	Very high	94.3	Very high	155 Å²	155	51.5 Å²	51.5	59%	0.585	26%	0.259	S	S	*	.	H	α-helix	trans	-60.5	-42.5	179.3	-71.7	-53.8	-164.7	-175.9	8.8	112.3	Q587 P588 L589 E594 H595	Q587-R591 WeakPolarHBondContact O-CG 3.46Å; Q587-R591 PolarHBondContact O-N 3.49Å; Q587-R591 VanDerWaalsContact O-N 3.07Å; P588-R591 PolarHBondContact O-N 3.15Å; L589-R591 VanDerWaalsContact C-N 3.32Å; L589-R591 PolarHBondContact O-N 2.99Å; R591-E594 WeakPolarHBondContact CD-OE2 3.47Å; R591-E594 IonicContact CZ-OE2 2.8Å; R591-E594 IonicContact NH1-OE2 3.18Å; R591-E594 PolarHBondContact NH1-OE2 2.97Å; R591-H595 WeakPolarHBondContact O-CB 3.39Å; R591-H595 PolarHBondContact O-N 3.29Å
592	F	97.6	Very high	93.9	Very high	20 Å²	20	54.3 Å²	54.3	9%	0.088	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-45	174.4	172.7	-102.8	0	0	0	112	I505 L541 A567 H569 P588 L589 R590 H595 C596	I505-F592 HydrophobicContact CG2-CE1 4.45Å; L541-F592 HydrophobicContact CB-CD1 4.32Å; L541-F592 HydrophobicContact CB-CE1 3.58Å; L541-F592 HydrophobicContact CB-CZ 4.07Å; L541-F592 HydrophobicContact CD2-CD1 4.29Å; L541-F592 HydrophobicContact CD2-CE1 4.05Å; L541-F592 HydrophobicContact CG-CE1 4.44Å; A567-F592 HydrophobicContact CB-CE2 3.78Å; H569-F592 HydrophobicContact CB-CB 3.88Å; H569-F592 HydrophobicContact CB-CD1 3.73Å; H569-F592 HydrophobicContact CB-CD2 3.45Å; H569-F592 VanDerWaalsContact CB-CD2 3.45Å; H569-F592 HydrophobicContact CB-CE1 4.07Å; H569-F592 HydrophobicContact CB-CE2 3.78Å; H569-F592 HydrophobicContact CB-CG 3.39Å; H569-F592 HydrophobicContact CB-CZ 4.08Å; H569-F592 AromaticContact CG-CG 3.94Å; P588-F592 PolarHBondContact O-N 3.23Å; L589-F592 PolarHBondContact O-N 2.85Å; R590-F592 VanDerWaalsContact C-N 3.33Å; R590-F592 PolarHBondContact O-N 3.34Å; F592-H595 WeakPolarHBondContact O-CB 3.43Å; F592-H595 PolarHBondContact O-N 3.28Å; F592-C596 VanDerWaalsContact CZ-SG 3.59Å; F592-C596 PolarHBondContact O-N 3.13Å; F592-C596 PolarHBondContact O-SG 3.12Å
593	L	97.2	Very high	93.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-45.8	179.2	-65.6	176.1	0	0	0	111.8	L445 M446 I449 I505 L541 L589 R590 H595 C596 V597 L601	L445-L593 HydrophobicContact CD2-CD2 4.07Å; L445-L593 HydrophobicContact CG-CD1 4.44Å; M446-L593 HydrophobicContact CB-CD1 3.82Å; M446-L593 HydrophobicContact CG-CD1 4.21Å; I449-L593 HydrophobicContact CD1-CD1 4.05Å; I449-L593 HydrophobicContact CD1-CD2 3.94Å; I505-L593 HydrophobicContact CD1-CD2 3.76Å; L541-L593 HydrophobicContact CD2-CD2 4.43Å; L589-L593 HydrophobicContact CD1-CD1 4.12Å; L589-L593 HydrophobicContact CD1-CD2 4.49Å; L589-L593 HydrophobicContact CD1-CG 4.09Å; L589-L593 HydrophobicContact CG-CD1 4.04Å; L589-L593 HydrophobicContact CG-CG 4.4Å; L589-L593 VanDerWaalsContact O-CG 3.31Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.47Å; R590-L593 PolarHBondContact O-N 2.81Å; L593-H595 PolarHBondContact O-N 2.84Å; L593-C596 PolarHBondContact O-N 3.16Å; L593-V597 WeakPolarHBondContact O-CG2 3.48Å; L593-V597 PolarHBondContact O-N 3.38Å; L593-L601 HydrophobicContact CB-CD1 3.7Å
594	E	95.4	Very high	93	Very high	24 Å²	24	50.8 Å²	50.8	11%	0.112	25%	0.25	C	S	.	.	H	α-helix	trans	-55.5	-39.3	174.2	-73	172.5	174.8	0	0	111.6	R590 R591 H598 S599 L601	R590-E594 WeakPolarHBondContact CD-OE1 3.46Å; R590-E594 HydrophobicContact CG-CG 4.23Å; R590-E594 WeakPolarHBondContact CG-OE1 3.43Å; R590-E594 IonicContact NE-OE1 2.94Å; R590-E594 WeakPolarHBondContact O-CB 3.46Å; R590-E594 VanDerWaalsContact O-CG 3.31Å; R590-E594 WeakPolarHBondContact O-CG 3.4Å; R590-E594 PolarHBondContact O-N 2.8Å; R591-E594 WeakPolarHBondContact CD-OE2 3.47Å; R591-E594 IonicContact CZ-OE2 2.8Å; R591-E594 IonicContact NH1-OE2 3.18Å; R591-E594 PolarHBondContact NH1-OE2 2.97Å; E594-H598 WeakPolarHBondContact O-CA 3.49Å; E594-H598 PolarHBondContact O-N 2.87Å; E594-S599 WeakPolarHBondContact CG-O 3.26Å; E594-L601 HydrophobicContact CG-CB 4.11Å; E594-L601 HydrophobicContact CG-CD1 4.49Å; E594-L601 HydrophobicContact CG-CG 4.13Å
595	H	94.9	Very high	92.5	Very high	113 Å²	113	51.9 Å²	51.9	52%	0.523	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-42	174.4	178.7	77.8	0	0	0	112.4	R591 F592 L593 H598	R591-H595 WeakPolarHBondContact O-CB 3.39Å; R591-H595 PolarHBondContact O-N 3.29Å; F592-H595 WeakPolarHBondContact O-CB 3.43Å; F592-H595 PolarHBondContact O-N 3.28Å; L593-H595 PolarHBondContact O-N 2.84Å; H595-H598 PolarHBondContact O-CE1 2.86Å; H595-H598 VanDerWaalsContact O-CE1 3.24Å; H595-H598 PolarHBondContact O-ND1 2.87Å
596	C	94.8	Very high	92.1	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.027	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-38.3	-179.3	-62.3	0	0	0	0	113	I505 Y543 F592 L593	I505-C596 HydrophobicContact CD1-CB 4.1Å; Y543-C596 HydrophobicContact CD2-CB 3.91Å; Y543-C596 HydrophobicContact CE2-CB 4.18Å; Y543-C596 HydrophobicContact CG-CB 4.2Å; F592-C596 VanDerWaalsContact CZ-SG 3.59Å; F592-C596 PolarHBondContact O-N 3.13Å; F592-C596 PolarHBondContact O-SG 3.12Å; L593-C596 PolarHBondContact O-N 3.16Å
597	V	92.4	Very high	91.8	Very high	19 Å²	19	60.8 Å²	60.8	12%	0.115	30%	0.304	C	S	.	.	H	α-helix	trans	-99.6	0.1	-175.5	-51.6	0	0	0	0	113.9	T442 L472 L593 S599 L601	T442-V597 HydrophobicContact CG2-CB 4.2Å; T442-V597 HydrophobicContact CG2-CG1 3.99Å; T442-V597 HydrophobicContact CG2-CG2 4.1Å; L472-V597 HydrophobicContact CD1-CG1 4.21Å; L472-V597 HydrophobicContact CD2-CG1 4.02Å; L593-V597 WeakPolarHBondContact O-CG2 3.48Å; L593-V597 PolarHBondContact O-N 3.38Å; V597-S599 PolarHBondContact O-N 3.31Å; V597-S599 PolarHBondContact O-OG 3.38Å; V597-S599 VanDerWaalsContact O-OG 3.09Å; V597-L601 HydrophobicContact CG2-CD1 3.94Å; V597-L601 HydrophobicContact CG2-CD2 4.07Å; V597-L601 HydrophobicContact CG2-CG 4.14Å
598	H	89.8	Confident	91.5	Very high	149 Å²	149	60.4 Å²	60.4	69%	0.69	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	35.6	-178.4	-57.9	-58.2	0	0	0	114	E594 H595	E594-H598 WeakPolarHBondContact O-CA 3.49Å; E594-H598 PolarHBondContact O-N 2.87Å; H595-H598 PolarHBondContact O-CE1 2.86Å; H595-H598 VanDerWaalsContact O-CE1 3.24Å; H595-H598 PolarHBondContact O-ND1 2.87Å
599	S	87.3	Confident	91.2	Very high	49 Å²	49	59.8 Å²	59.8	34%	0.343	30%	0.301	S	S	.	.	S	Bend	trans	-142.1	148.3	-176.3	-59.1	0	0	0	0	110.8	E594 V597 L601	E594-S599 WeakPolarHBondContact CG-O 3.26Å; V597-S599 PolarHBondContact O-N 3.31Å; V597-S599 PolarHBondContact O-OG 3.38Å; V597-S599 VanDerWaalsContact O-OG 3.09Å; S599-L601 PolarHBondContact O-N 3.12Å
600	D	87.1	Confident	90.9	Very high	45 Å²	45	66.2 Å²	66.2	24%	0.241	33%	0.329	C	S	.	.			trans	-72.8	120.7	174.3	-173	-9.3	0	0	0	110.5	R602	D600-R602 VanDerWaalsContact OD1-CB 3.25Å; D600-R602 WeakPolarHBondContact OD1-CB 3.34Å; D600-R602 WeakPolarHBondContact OD1-CG 3.41Å; D600-R602 IonicContact OD1-CZ 3Å; D600-R602 PolarHBondContact OD1-N 3.25Å; D600-R602 IonicContact OD1-NE 3.91Å; D600-R602 PolarHBondContact OD1-NE 2.62Å; D600-R602 IonicContact OD2-CZ 3.82Å; D600-R602 VanDerWaalsContact OD2-CZ 3.25Å; D600-R602 IonicContact OD2-NE 2.71Å; D600-R602 PolarHBondContact OD2-NE 2.89Å; D600-R602 IonicContact OD2-NH2 2.74Å; D600-R602 PolarHBondContact OD2-NH2 3.24Å
601	L	88.6	Confident	90.6	Very high	12 Å²	12	71.8 Å²	71.8	6%	0.063	35%	0.35	C	S	.	.			trans	-106.2	12.7	-177.9	-59.3	-177.5	0	0	0	112.8	T442 L593 E594 V597 S599	T442-L601 HydrophobicContact CG2-CD2 3.98Å; L593-L601 HydrophobicContact CB-CD1 3.7Å; E594-L601 HydrophobicContact CG-CB 4.11Å; E594-L601 HydrophobicContact CG-CD1 4.49Å; E594-L601 HydrophobicContact CG-CG 4.13Å; V597-L601 HydrophobicContact CG2-CD1 3.94Å; V597-L601 HydrophobicContact CG2-CD2 4.07Å; V597-L601 HydrophobicContact CG2-CG 4.14Å; S599-L601 PolarHBondContact O-N 3.12Å
602	R	87.1	Confident	90.2	Very high	109 Å²	109	65.3 Å²	65.3	41%	0.411	33%	0.329	S	S	.	.			trans	-64.7	142.5	174.4	-68.4	178.8	-67.9	173.8	-0.6	111.1	D600 F604 F622	D600-R602 VanDerWaalsContact OD1-CB 3.25Å; D600-R602 WeakPolarHBondContact OD1-CB 3.34Å; D600-R602 WeakPolarHBondContact OD1-CG 3.41Å; D600-R602 IonicContact OD1-CZ 3Å; D600-R602 PolarHBondContact OD1-N 3.25Å; D600-R602 IonicContact OD1-NE 3.91Å; D600-R602 PolarHBondContact OD1-NE 2.62Å; D600-R602 IonicContact OD2-CZ 3.82Å; D600-R602 VanDerWaalsContact OD2-CZ 3.25Å; D600-R602 IonicContact OD2-NE 2.71Å; D600-R602 PolarHBondContact OD2-NE 2.89Å; D600-R602 IonicContact OD2-NH2 2.74Å; D600-R602 PolarHBondContact OD2-NH2 3.24Å; R602-F604 HydrophobicContact CB-CD2 4.38Å; R602-F604 HydrophobicContact CB-CE2 3.67Å; R602-F604 HydrophobicContact CB-CZ 3.8Å; R602-F604 WeakPolarHBondContact O-CD2 3.14Å; R602-F604 WeakPolarHBondContact O-CE2 3.26Å; R602-F622 WeakPolarHBondContact O-CB 3.15Å
603	A	84.4	Confident	89.8	Confident	80 Å²	80	66.1 Å²	66.1	66%	0.661	34%	0.339	S	S	*	.			trans	-80	139.1	164.8	0	0	0	0	0	109.3	F622	A603-F622 HydrophobicContact CB-CD2 4.4Å; A603-F622 HydrophobicContact CB-CE2 4.02Å; A603-F622 HydrophobicContact CB-CZ 4.1Å
604	F	85.4	Confident	89.5	Confident	42 Å²	42	72.1 Å²	72.1	18%	0.184	37%	0.371	C	S	.	.			trans	-124.2	145.8	-179.5	-65.1	-90.9	0	0	0	110	R602 N608 C609 P620 F622	R602-F604 HydrophobicContact CB-CD2 4.38Å; R602-F604 HydrophobicContact CB-CE2 3.67Å; R602-F604 HydrophobicContact CB-CZ 3.8Å; R602-F604 WeakPolarHBondContact O-CD2 3.14Å; R602-F604 WeakPolarHBondContact O-CE2 3.26Å; F604-N608 HydrophobicContact CB-CB 4.3Å; F604-N608 HydrophobicContact CD1-CB 4.42Å; F604-C609 VanDerWaalsContact CB-SG 3.59Å; F604-P620 HydrophobicContact CD2-CB 3.88Å; F604-P620 HydrophobicContact CD2-CG 4.2Å; F604-P620 HydrophobicContact CE1-CG 4.29Å; F604-P620 HydrophobicContact CE2-CB 3.42Å; F604-P620 VanDerWaalsContact CE2-CB 3.42Å; F604-P620 HydrophobicContact CE2-CG 3.74Å; F604-P620 HydrophobicContact CZ-CB 3.97Å; F604-P620 HydrophobicContact CZ-CG 3.79Å; F604-F622 HydrophobicContact CB-CD1 4.15Å; F604-F622 HydrophobicContact CD2-CB 4.14Å; F604-F622 HydrophobicContact CD2-CD1 4.3Å; F604-F622 WeakPolarHBondContact O-CE1 3.47Å
605	S	86	Confident	89.4	Confident	56 Å²	56	75.1 Å²	75.1	39%	0.392	39%	0.391	S	S	.	.			trans	-65.8	158	170.8	63.7	0	0	0	0	111	E607 N608 C609	S605-E607 PolarHBondContact O-N 2.84Å; S605-N608 PolarHBondContact O-N 3.42Å; S605-N608 VanDerWaalsContact O-N 3.15Å; S605-N608 PolarHBondContact OG-N 3.18Å; S605-N608 PolarHBondContact OG-ND2 2.91Å; S605-C609 PolarHBondContact O-N 3Å
606	T	86.7	Confident	88.9	Confident	80 Å²	80	75.5 Å²	75.5	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-54.5	-41.8	176.7	-43.1	0	0	0	0	111.8	C609 F610 Y627	T606-C609 PolarHBondContact O-N 2.89Å; T606-F610 WeakPolarHBondContact O-CB 3.42Å; T606-F610 PolarHBondContact O-N 2.59Å; T606-Y627 HydrophobicContact CG2-CD1 3.97Å; T606-Y627 HydrophobicContact CG2-CE1 3.91Å; T606-Y627 HydrophobicContact CG2-CG 4.47Å; T606-Y627 WeakPolarHBondContact OG1-CE1 3.26Å; T606-Y627 PolarHBondContact OG1-OH 3.26Å
607	E	90.1	Very high	88.4	Confident	156 Å²	156	87.9 Å²	87.9	73%	0.729	44%	0.439	S	S	*	.	H	α-helix	trans	-62	-46	177.6	-172.9	-175.3	172.7	0	0	112.3	S605 C609 F610 R611	S605-E607 PolarHBondContact O-N 2.84Å; E607-C609 VanDerWaalsContact C-N 3.31Å; E607-C609 PolarHBondContact O-N 3.37Å; E607-F610 PolarHBondContact O-N 3.23Å; E607-R611 WeakPolarHBondContact O-CB 3.32Å; E607-R611 PolarHBondContact O-N 2.94Å
608	N	90.3	Very high	88	Confident	81 Å²	81	94.9 Å²	94.9	43%	0.433	47%	0.468	S	S	.	.	H	α-helix	trans	-63.3	-39.3	177	-77.7	-34.1	0	0	0	111.5	F604 S605 S612	F604-N608 HydrophobicContact CB-CB 4.3Å; F604-N608 HydrophobicContact CD1-CB 4.42Å; S605-N608 PolarHBondContact O-N 3.42Å; S605-N608 VanDerWaalsContact O-N 3.15Å; S605-N608 PolarHBondContact OG-N 3.18Å; S605-N608 PolarHBondContact OG-ND2 2.91Å; N608-S612 VanDerWaalsContact O-CB 3.24Å; N608-S612 WeakPolarHBondContact O-CB 3.25Å; N608-S612 PolarHBondContact O-N 2.91Å
609	C	90.2	Very high	87.9	Confident	1 Å²	1	88.6 Å²	88.6	1%	0.007	44%	0.44	C	S	.	.	H	α-helix	trans	-66.1	-43.4	175.6	-74.2	0	0	0	0	112.7	F604 S605 T606 E607 S612 A613 C623 Y627	F604-C609 VanDerWaalsContact CB-SG 3.59Å; S605-C609 PolarHBondContact O-N 3Å; T606-C609 PolarHBondContact O-N 2.89Å; E607-C609 VanDerWaalsContact C-N 3.31Å; E607-C609 PolarHBondContact O-N 3.37Å; C609-S612 PolarHBondContact O-N 2.74Å; C609-A613 WeakPolarHBondContact O-CB 3.27Å; C609-A613 PolarHBondContact O-N 3.14Å; C609-C623 WeakPolarHBondContact CA-SG 3.29Å; C609-C623 HydrophobicContact CB-CB 3.51Å; C609-C623 WeakPolarHBondContact CB-SG 3.34Å; C609-C623 WeakPolarHBondContact SG-CA 3.4Å; C609-C623 WeakPolarHBondContact SG-CB 3.3Å; C609-C623 CovalentContact SG-SG 2.04Å; C609-C623 PolarHBondContact SG-SG 3.42Å; C609-Y627 HydrophobicContact CB-CD2 3.91Å
610	F	90.1	Very high	87.8	Confident	136 Å²	136	87.6 Å²	87.6	60%	0.596	43%	0.433	S	S	*	.	H	α-helix	trans	-61.9	-48.6	175.9	-177.2	-104.4	0	0	0	111.4	T606 E607 S612 A613 L614	T606-F610 WeakPolarHBondContact O-CB 3.42Å; T606-F610 PolarHBondContact O-N 2.59Å; E607-F610 PolarHBondContact O-N 3.23Å; F610-S612 VanDerWaalsContact C-N 3.32Å; F610-S612 PolarHBondContact O-N 3.28Å; F610-A613 WeakPolarHBondContact O-CB 3.32Å; F610-A613 PolarHBondContact O-N 2.77Å; F610-L614 HydrophobicContact CD1-CD1 4.03Å; F610-L614 HydrophobicContact CE1-CD1 3.5Å; F610-L614 VanDerWaalsContact CE1-CD1 3.5Å; F610-L614 HydrophobicContact CE1-CG 4.45Å; F610-L614 HydrophobicContact CZ-CD1 3.79Å; F610-L614 HydrophobicContact CZ-CG 4.47Å; F610-L614 WeakPolarHBondContact O-CG 3.43Å; F610-L614 PolarHBondContact O-N 3.25Å; F610-L614 VanDerWaalsContact O-N 3.15Å
611	R	90.8	Very high	87.7	Confident	176 Å²	176	87 Å²	87	66%	0.664	43%	0.429	S	S	*	.	H	α-helix	trans	-59.4	-42.4	175.5	-175.7	178	177.9	-179.8	0.5	111.9	E607 L614 T615	E607-R611 WeakPolarHBondContact O-CB 3.32Å; E607-R611 PolarHBondContact O-N 2.94Å; R611-L614 PolarHBondContact O-N 3.5Å; R611-T615 HydrophobicContact CG-CG2 4.46Å; R611-T615 WeakPolarHBondContact O-CB 3.32Å; R611-T615 WeakPolarHBondContact O-CG2 3.2Å; R611-T615 PolarHBondContact O-N 3.31Å; R611-T615 VanDerWaalsContact O-N 3.09Å; R611-T615 PolarHBondContact O-OG1 3.23Å
612	S	88.6	Confident	87.6	Confident	19 Å²	19	88.9 Å²	88.9	13%	0.133	44%	0.437	C	S	.	.	H	α-helix	trans	-65.3	-39.3	177.8	-171.7	0	0	0	0	112	N608 C609 F610 L614 T615 H616 P620	N608-S612 VanDerWaalsContact O-CB 3.24Å; N608-S612 WeakPolarHBondContact O-CB 3.25Å; N608-S612 PolarHBondContact O-N 2.91Å; C609-S612 PolarHBondContact O-N 2.74Å; F610-S612 VanDerWaalsContact C-N 3.32Å; F610-S612 PolarHBondContact O-N 3.28Å; S612-L614 VanDerWaalsContact C-N 3.26Å; S612-L614 PolarHBondContact O-N 2.87Å; S612-T615 PolarHBondContact O-N 2.81Å; S612-H616 WeakPolarHBondContact O-CB 3.49Å; S612-H616 PolarHBondContact O-N 2.83Å; S612-P620 WeakPolarHBondContact OG-CD 3.09Å
613	A	89.1	Confident	87.6	Confident	38 Å²	38	83.7 Å²	83.7	31%	0.314	42%	0.417	S	S	.	.	H	α-helix	trans	-60.5	-34.2	174.9	0	0	0	0	0	113.3	C609 F610 P619 L628	C609-A613 WeakPolarHBondContact O-CB 3.27Å; C609-A613 PolarHBondContact O-N 3.14Å; F610-A613 WeakPolarHBondContact O-CB 3.32Å; F610-A613 PolarHBondContact O-N 2.77Å; A613-P619 HydrophobicContact CB-CG 4.2Å; A613-L628 HydrophobicContact CB-CD1 3.87Å; A613-L628 HydrophobicContact CB-CD2 4.13Å
614	L	90.6	Very high	87.7	Confident	125 Å²	125	82.9 Å²	82.9	65%	0.654	40%	0.4	S	S	*	.	H	α-helix	trans	-81.8	-25.4	177.7	-65	177.6	0	0	0	113.6	F610 R611 S612	F610-L614 HydrophobicContact CD1-CD1 4.03Å; F610-L614 HydrophobicContact CE1-CD1 3.5Å; F610-L614 VanDerWaalsContact CE1-CD1 3.5Å; F610-L614 HydrophobicContact CE1-CG 4.45Å; F610-L614 HydrophobicContact CZ-CD1 3.79Å; F610-L614 HydrophobicContact CZ-CG 4.47Å; F610-L614 WeakPolarHBondContact O-CG 3.43Å; F610-L614 PolarHBondContact O-N 3.25Å; F610-L614 VanDerWaalsContact O-N 3.15Å; R611-L614 PolarHBondContact O-N 3.5Å; S612-L614 VanDerWaalsContact C-N 3.26Å; S612-L614 PolarHBondContact O-N 2.87Å
615	T	91.9	Very high	87.5	Confident	88 Å²	88	83 Å²	83	54%	0.54	40%	0.401	S	S	.	.	H	α-helix	trans	-106.4	-18.7	-171	52.7	0	0	0	0	114.1	R611 S612	R611-T615 HydrophobicContact CG-CG2 4.46Å; R611-T615 WeakPolarHBondContact O-CB 3.32Å; R611-T615 WeakPolarHBondContact O-CG2 3.2Å; R611-T615 PolarHBondContact O-N 3.31Å; R611-T615 VanDerWaalsContact O-N 3.09Å; R611-T615 PolarHBondContact O-OG1 3.23Å; S612-T615 PolarHBondContact O-N 2.81Å
616	H	86.5	Confident	87.2	Confident	121 Å²	121	82.9 Å²	82.9	56%	0.56	41%	0.408	S	S	*	.			trans	-128.4	140.2	-175.5	-64.1	71.6	0	0	0	111.4	S612 K618	S612-H616 WeakPolarHBondContact O-CB 3.49Å; S612-H616 PolarHBondContact O-N 2.83Å; H616-K618 PolarHBondContact O-N 3.18Å
617	R	83.6	Confident	86.9	Confident	264 Å²	264	84.4 Å²	84.4	100%	0.996	41%	0.406	S	S	*	.	S	Bend	trans	-64.1	-28.9	176.3	-68.9	-171.4	179.8	-166.7	0.3	113.5
618	K	84.3	Confident	86.4	Confident	166 Å²	166	80.8 Å²	80.8	72%	0.722	39%	0.391	S	S	*	.	S	Bend	trans	-135.3	93.1	179.2	-166.3	173.9	-176.3	-178.9	0	109.4	H616 Q624	H616-K618 PolarHBondContact O-N 3.18Å; K618-Q624 VanDerWaalsContact CG-NE2 3.34Å
619	P	86.3	Confident	85.2	Confident	17 Å²	17	80.1 Å²	80.1	11%	0.11	40%	0.397	C	S	.	.			trans	-59.8	166.6	177.4	-26.7	38	0	0	0	112.4	A613 C623 Q624 L628	A613-P619 HydrophobicContact CB-CG 4.2Å; P619-C623 HydrophobicContact CB-CB 4.17Å; P619-Q624 HydrophobicContact CB-CG 4.46Å; P619-Q624 PolarHBondContact O-NE2 2.98Å; P619-L628 HydrophobicContact CB-CD1 4.22Å; P619-L628 HydrophobicContact CG-CD1 4.03Å
620	P	86.5	Confident	83.4	Confident	28 Å²	28	95.4 Å²	95.4	18%	0.182	45%	0.454	C	S	.	.			trans	-52.5	148.1	173.8	-26.9	33.5	0	0	0	112.8	F604 S612 F622 C623 Q624	F604-P620 HydrophobicContact CD2-CB 3.88Å; F604-P620 HydrophobicContact CD2-CG 4.2Å; F604-P620 HydrophobicContact CE1-CG 4.29Å; F604-P620 HydrophobicContact CE2-CB 3.42Å; F604-P620 VanDerWaalsContact CE2-CB 3.42Å; F604-P620 HydrophobicContact CE2-CG 3.74Å; F604-P620 HydrophobicContact CZ-CB 3.97Å; F604-P620 HydrophobicContact CZ-CG 3.79Å; S612-P620 WeakPolarHBondContact OG-CD 3.09Å; P620-F622 PolarHBondContact O-N 3.26Å; P620-C623 WeakPolarHBondContact O-CB 3.47Å; P620-C623 PolarHBondContact O-N 3.39Å; P620-Q624 PolarHBondContact O-N 3.09Å
621	L	85.1	Confident	83.1	Confident	33 Å²	33	93.4 Å²	93.4	17%	0.173	45%	0.447	C	S	.	.	H	α-helix	trans	-55.5	-39.1	-176.7	-175.8	65.2	0	0	0	111.9	T443 C623 Q624 Q625	T443-L621 HydrophobicContact CG2-CB 4.36Å; T443-L621 HydrophobicContact CG2-CD2 4.07Å; T443-L621 HydrophobicContact CG2-CG 4.01Å; L621-C623 VanDerWaalsContact C-N 3.35Å; L621-C623 PolarHBondContact O-N 2.86Å; L621-Q624 PolarHBondContact O-N 3.02Å; L621-Q625 HydrophobicContact CD1-CG 4.11Å; L621-Q625 HydrophobicContact CG-CG 4.31Å; L621-Q625 WeakPolarHBondContact O-CB 3.3Å; L621-Q625 WeakPolarHBondContact O-CG 3.47Å; L621-Q625 PolarHBondContact O-N 2.89Å
622	F	85.9	Confident	82.7	Confident	51 Å²	51	89 Å²	89	22%	0.224	44%	0.436	C	S	.	.	H	α-helix	trans	-56.8	-44.6	174.3	-177.3	-90.4	0	0	0	112.9	T443 R602 A603 F604 P620 Q625 G626 Y627	T443-F622 HydrophobicContact CG2-CB 4.2Å; R602-F622 WeakPolarHBondContact O-CB 3.15Å; A603-F622 HydrophobicContact CB-CD2 4.4Å; A603-F622 HydrophobicContact CB-CE2 4.02Å; A603-F622 HydrophobicContact CB-CZ 4.1Å; F604-F622 HydrophobicContact CB-CD1 4.15Å; F604-F622 HydrophobicContact CD2-CB 4.14Å; F604-F622 HydrophobicContact CD2-CD1 4.3Å; F604-F622 WeakPolarHBondContact O-CE1 3.47Å; P620-F622 PolarHBondContact O-N 3.26Å; F622-Q625 PolarHBondContact O-N 3.16Å; F622-G626 WeakPolarHBondContact O-CA 3.4Å; F622-G626 PolarHBondContact O-N 3.3Å; F622-Y627 AromaticContact CE1-CE2 3.91Å; F622-Y627 HydrophobicContact CE1-CE2 3.91Å
623	C	87.6	Confident	82.4	Confident	0 Å²	0	92.9 Å²	92.9	0%	0	45%	0.453	C	S	.	.	H	α-helix	trans	-67.7	-42	178.6	-60.4	0	0	0	0	111.8	C609 P619 P620 L621 Q625 Y627 L628	C609-C623 WeakPolarHBondContact CA-SG 3.29Å; C609-C623 HydrophobicContact CB-CB 3.51Å; C609-C623 WeakPolarHBondContact CB-SG 3.34Å; C609-C623 WeakPolarHBondContact SG-CA 3.4Å; C609-C623 WeakPolarHBondContact SG-CB 3.3Å; C609-C623 CovalentContact SG-SG 2.04Å; C609-C623 PolarHBondContact SG-SG 3.42Å; P619-C623 HydrophobicContact CB-CB 4.17Å; P620-C623 WeakPolarHBondContact O-CB 3.47Å; P620-C623 PolarHBondContact O-N 3.39Å; L621-C623 VanDerWaalsContact C-N 3.35Å; L621-C623 PolarHBondContact O-N 2.86Å; C623-Q625 VanDerWaalsContact C-N 3.35Å; C623-Q625 PolarHBondContact O-N 3.18Å; C623-Y627 PolarHBondContact O-N 2.61Å; C623-Y627 VanDerWaalsContact O-N 3.13Å; C623-L628 HydrophobicContact CB-CD1 4.37Å; C623-L628 WeakPolarHBondContact O-CG 3.5Å; C623-L628 PolarHBondContact O-N 3.14Å; C623-L628 VanDerWaalsContact O-N 3.1Å
624	Q	85.9	Confident	82	Confident	63 Å²	63	96.1 Å²	96.1	29%	0.294	46%	0.461	S	S	.	.	H	α-helix	trans	-59	-46.1	175.9	-66.7	180	41.2	0	0	111.7	K618 P619 P620 L621 L628 A629	K618-Q624 VanDerWaalsContact CG-NE2 3.34Å; P619-Q624 HydrophobicContact CB-CG 4.46Å; P619-Q624 PolarHBondContact O-NE2 2.98Å; P620-Q624 PolarHBondContact O-N 3.09Å; L621-Q624 PolarHBondContact O-N 3.02Å; Q624-L628 CarbonylContact O-C 3.59Å; Q624-A629 WeakPolarHBondContact O-CB 3.33Å; Q624-A629 PolarHBondContact O-N 3.47Å
625	Q	82.4	Confident	81.4	Confident	44 Å²	44	94.3 Å²	94.3	21%	0.206	45%	0.449	C	S	.	.	H	α-helix	trans	-81.8	-31.8	-175.2	-68.3	-179.1	-26.2	0	0	113.7	T443 S475 L621 F622 C623	T443-Q625 PolarHBondContact OG1-OE1 2.73Å; S475-Q625 PolarHBondContact O-NE2 2.77Å; L621-Q625 HydrophobicContact CD1-CG 4.11Å; L621-Q625 HydrophobicContact CG-CG 4.31Å; L621-Q625 WeakPolarHBondContact O-CB 3.3Å; L621-Q625 WeakPolarHBondContact O-CG 3.47Å; L621-Q625 PolarHBondContact O-N 2.89Å; F622-Q625 PolarHBondContact O-N 3.16Å; C623-Q625 VanDerWaalsContact C-N 3.35Å; C623-Q625 PolarHBondContact O-N 3.18Å
626	G	79.1	Confident	80.7	Confident	53 Å²	53	94.7 Å²	94.7	55%	0.546	44%	0.443	S	S	.	.	H	α-helix	trans	-92.3	-40.9	-172.1	0	0	0	0	0	114.8	F622	F622-G626 WeakPolarHBondContact O-CA 3.4Å; F622-G626 PolarHBondContact O-N 3.3Å
627	Y	80.8	Confident	80.3	Confident	112 Å²	112	92.9 Å²	92.9	44%	0.439	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-21.4	-170.7	-63.1	-71.2	0	0	0	114.1	T606 C609 F622 C623	T606-Y627 HydrophobicContact CG2-CD1 3.97Å; T606-Y627 HydrophobicContact CG2-CE1 3.91Å; T606-Y627 HydrophobicContact CG2-CG 4.47Å; T606-Y627 WeakPolarHBondContact OG1-CE1 3.26Å; T606-Y627 PolarHBondContact OG1-OH 3.26Å; C609-Y627 HydrophobicContact CB-CD2 3.91Å; F622-Y627 AromaticContact CE1-CE2 3.91Å; F622-Y627 HydrophobicContact CE1-CE2 3.91Å; C623-Y627 PolarHBondContact O-N 2.61Å; C623-Y627 VanDerWaalsContact O-N 3.13Å
628	L	77.8	Confident	80.1	Confident	80 Å²	80	79.7 Å²	79.7	42%	0.419	39%	0.391	S	S	.	.	S	Bend	trans	-110.8	-6	-173.9	-55.5	172	0	0	0	113.1	A613 P619 C623 Q624 R630	A613-L628 HydrophobicContact CB-CD1 3.87Å; A613-L628 HydrophobicContact CB-CD2 4.13Å; P619-L628 HydrophobicContact CB-CD1 4.22Å; P619-L628 HydrophobicContact CG-CD1 4.03Å; C623-L628 HydrophobicContact CB-CD1 4.37Å; C623-L628 WeakPolarHBondContact O-CG 3.5Å; C623-L628 PolarHBondContact O-N 3.14Å; C623-L628 VanDerWaalsContact O-N 3.1Å; Q624-L628 CarbonylContact O-C 3.59Å; L628-R630 PolarHBondContact O-N 2.83Å
629	A	66.3	Low	79.7	Confident	67 Å²	67	72.5 Å²	72.5	55%	0.554	36%	0.363	S	S	*	.			trans	-74.1	123.3	172	0	0	0	0	0	108.6	Q624	Q624-A629 WeakPolarHBondContact O-CB 3.33Å; Q624-A629 PolarHBondContact O-N 3.47Å
630	R	52.8	Low	79.1	Confident	322 Å²	322	77.5 Å²	77.5	100%	1.215	39%	0.387	S	S	*	.			trans	-85	0	170.3	-77.8	-172.7	-178.5	-175.6	0.6	110.9	L628	L628-R630 PolarHBondContact O-N 2.83Å

Retrieved 630 of 630 residues in 225.8 ms (Link to these results)

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