A0A3Q0KV12_SCHMA Loading...

ZP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KV12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 691 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	60.4	Low	71.6	Confident	195 Å²	195	131.7 Å²	131.7	96%	0.961	67%	0.665	S	S	*	*				0	-51.7	0	-90.1	-149.5	82.2	0	0	113.6	C3 C4 L5	M1-C3 PolarHBondContact O-N 3.49Å; M1-C4 PolarHBondContact O-N 2.87Å; M1-C4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 3.22Å
2	L	65.8	Low	70.7	Confident	152 Å²	152	130.1 Å²	130.1	80%	0.796	66%	0.658	S	S	*	*	H	α-helix	trans	-57.6	-42.1	-179.3	-91.3	132.9	0	0	0	114.6	C4 L5 Y6	L2-C4 PolarHBondContact O-N 3.41Å; L2-L5 PolarHBondContact O-N 3.06Å; L2-Y6 PolarHBondContact O-N 3.07Å
3	C	65.3	Low	68.8	Low	101 Å²	101	125.4 Å²	125.4	68%	0.682	64%	0.64	S	S	*	*	H	α-helix	trans	-64.2	-38.5	174.3	-74.9	0	0	0	0	113.2	M1 L5 Y6 I7	M1-C3 PolarHBondContact O-N 3.49Å; C3-L5 VanDerWaalsContact C-N 3.34Å; C3-Y6 PolarHBondContact O-N 2.99Å; C3-I7 WeakPolarHBondContact O-CG1 3.49Å; C3-I7 PolarHBondContact O-N 3.37Å
4	C	77.3	Confident	66.9	Low	89 Å²	89	124.4 Å²	124.4	60%	0.601	65%	0.646	S	S	*	*	H	α-helix	trans	-66.5	-39.4	176.3	-58.7	0	0	0	0	110.8	M1 L2 Y6 I7 F8	M1-C4 PolarHBondContact O-N 2.87Å; M1-C4 VanDerWaalsContact O-N 3.14Å; L2-C4 PolarHBondContact O-N 3.41Å; C4-Y6 VanDerWaalsContact C-N 3.32Å; C4-Y6 PolarHBondContact O-N 3.09Å; C4-I7 PolarHBondContact O-N 3.42Å; C4-F8 WeakPolarHBondContact O-CB 3.43Å; C4-F8 PolarHBondContact O-N 3.45Å
5	L	79.5	Confident	65.1	Low	97 Å²	97	122.5 Å²	122.5	51%	0.508	65%	0.648	S	S	.	*	H	α-helix	trans	-62.7	-39.6	175.3	-161.8	84.3	0	0	0	111.4	M1 L2 C3 F8 L9	M1-L5 PolarHBondContact O-N 3.22Å; L2-L5 PolarHBondContact O-N 3.06Å; C3-L5 VanDerWaalsContact C-N 3.34Å; L5-F8 PolarHBondContact O-N 3.5Å; L5-L9 HydrophobicContact CD2-CD1 4.27Å; L5-L9 HydrophobicContact CG-CD1 4.1Å; L5-L9 VanDerWaalsContact O-CB 3.3Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.22Å; L5-L9 PolarHBondContact O-N 3.48Å
6	Y	73.3	Confident	63.4	Low	186 Å²	186	125.8 Å²	125.8	73%	0.729	66%	0.659	S	S	*	*	H	α-helix	trans	-68.4	-43.3	179.2	-148.4	-89	0	0	0	112.3	L2 C3 C4 F8 W10	L2-Y6 PolarHBondContact O-N 3.07Å; C3-Y6 PolarHBondContact O-N 2.99Å; C4-Y6 VanDerWaalsContact C-N 3.32Å; C4-Y6 PolarHBondContact O-N 3.09Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; Y6-W10 VanDerWaalsContact O-CB 3.24Å; Y6-W10 WeakPolarHBondContact O-CB 3.49Å; Y6-W10 PolarHBondContact O-N 3.26Å
7	I	77.4	Confident	62	Low	101 Å²	101	128.7 Å²	128.7	52%	0.518	67%	0.665	S	S	.	*	H	α-helix	trans	-66	-40.2	174.7	-64.9	166.2	0	0	0	110.3	C3 C4 W10 C11	C3-I7 WeakPolarHBondContact O-CG1 3.49Å; C3-I7 PolarHBondContact O-N 3.37Å; C4-I7 PolarHBondContact O-N 3.42Å; I7-W10 PolarHBondContact O-N 3.48Å; I7-C11 WeakPolarHBondContact O-CB 3.48Å; I7-C11 PolarHBondContact O-N 3.28Å; I7-C11 PolarHBondContact O-SG 3.4Å; I7-C11 VanDerWaalsContact O-SG 3.36Å
8	F	77.7	Confident	61	Low	134 Å²	134	128.4 Å²	128.4	59%	0.588	67%	0.67	S	S	*	*	H	α-helix	trans	-67.9	-40.9	179.4	-160.8	-103.2	0	0	0	111.9	C4 L5 Y6 C11 L12	C4-F8 WeakPolarHBondContact O-CB 3.43Å; C4-F8 PolarHBondContact O-N 3.45Å; L5-F8 PolarHBondContact O-N 3.5Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; F8-C11 PolarHBondContact O-N 2.7Å; F8-L12 HydrophobicContact CD1-CD1 3.46Å; F8-L12 VanDerWaalsContact CD1-CD1 3.46Å; F8-L12 HydrophobicContact CD1-CG 4.32Å; F8-L12 HydrophobicContact CE1-CD1 3.21Å; F8-L12 HydrophobicContact CE1-CG 4.22Å; F8-L12 HydrophobicContact CG-CD1 4.33Å; F8-L12 HydrophobicContact CZ-CD1 3.88Å; F8-L12 VanDerWaalsContact O-CB 3.28Å; F8-L12 WeakPolarHBondContact O-CB 3.39Å; F8-L12 WeakPolarHBondContact O-CG 3.32Å; F8-L12 PolarHBondContact O-N 3.47Å
9	L	70.7	Confident	60.4	Low	99 Å²	99	125.9 Å²	125.9	52%	0.518	66%	0.664	S	S	.	*	H	α-helix	trans	-64.1	-40.6	171.4	-77.7	164.4	0	0	0	111.5	L5 L12 T13	L5-L9 HydrophobicContact CD2-CD1 4.27Å; L5-L9 HydrophobicContact CG-CD1 4.1Å; L5-L9 VanDerWaalsContact O-CB 3.3Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.22Å; L5-L9 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-T13 WeakPolarHBondContact O-CG2 3.26Å; L9-T13 PolarHBondContact O-N 3.38Å; L9-T13 PolarHBondContact O-OG1 3.28Å
10	W	70.2	Confident	60.4	Low	197 Å²	197	127 Å²	127	75%	0.746	67%	0.665	S	S	*	*	H	α-helix	trans	-68	-35.3	178.3	-167.2	38.8	0	0	0	113	Y6 I7 T13	Y6-W10 VanDerWaalsContact O-CB 3.24Å; Y6-W10 WeakPolarHBondContact O-CB 3.49Å; Y6-W10 PolarHBondContact O-N 3.26Å; I7-W10 PolarHBondContact O-N 3.48Å; W10-T13 PolarHBondContact O-OG1 3.31Å
11	C	70.4	Confident	61	Low	98 Å²	98	123.9 Å²	123.9	66%	0.662	65%	0.646	S	S	*	*	H	α-helix	trans	-76.7	-28.5	174.4	-72.3	0	0	0	0	113.6	I7 F8	I7-C11 WeakPolarHBondContact O-CB 3.48Å; I7-C11 PolarHBondContact O-N 3.28Å; I7-C11 PolarHBondContact O-SG 3.4Å; I7-C11 VanDerWaalsContact O-SG 3.36Å; F8-C11 PolarHBondContact O-N 2.7Å
12	L	60.4	Low	61.9	Low	112 Å²	112	117.7 Å²	117.7	59%	0.586	62%	0.617	S	S	*	*	H	α-helix	trans	-89.4	-19.1	-179.1	-77.2	177.9	0	0	0	114.2	F8 L9 P14	F8-L12 HydrophobicContact CD1-CD1 3.46Å; F8-L12 VanDerWaalsContact CD1-CD1 3.46Å; F8-L12 HydrophobicContact CD1-CG 4.32Å; F8-L12 HydrophobicContact CE1-CD1 3.21Å; F8-L12 HydrophobicContact CE1-CG 4.22Å; F8-L12 HydrophobicContact CG-CD1 4.33Å; F8-L12 HydrophobicContact CZ-CD1 3.88Å; F8-L12 VanDerWaalsContact O-CB 3.28Å; F8-L12 WeakPolarHBondContact O-CB 3.39Å; F8-L12 WeakPolarHBondContact O-CG 3.32Å; F8-L12 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.39Å; L12-P14 WeakPolarHBondContact O-CD 3.33Å
13	T	46.3	Very low	62.7	Low	69 Å²	69	115.6 Å²	115.6	42%	0.423	60%	0.601	S	S	.	*	S	Bend	trans	-73.3	110	164.8	49.2	0	0	0	0	107.3	L9 W10 S15	L9-T13 WeakPolarHBondContact O-CG2 3.26Å; L9-T13 PolarHBondContact O-N 3.38Å; L9-T13 PolarHBondContact O-OG1 3.28Å; W10-T13 PolarHBondContact O-OG1 3.31Å; T13-S15 PolarHBondContact O-N 3.19Å
14	P	41.9	Very low	63.7	Low	111 Å²	111	111.3 Å²	111.3	72%	0.721	57%	0.572	S	S	*	*			trans	-61.1	109.5	167.3	-2.6	19.6	0	0	0	104.2	L12 E16	L12-P14 WeakPolarHBondContact O-CD 3.33Å; P14-E16 PolarHBondContact O-N 3.1Å
15	S	39.8	Very low	64	Low	97 Å²	97	110.9 Å²	110.9	68%	0.678	56%	0.564	S	S	*	*			trans	-73.9	53.9	174.6	66.1	0	0	0	0	109.5	T13 F17	T13-S15 PolarHBondContact O-N 3.19Å; S15-F17 PolarHBondContact O-N 3.34Å
16	E	38.5	Very low	64.4	Low	175 Å²	175	110.7 Å²	110.7	82%	0.818	56%	0.56	S	S	*	*			trans	-78	59.2	139.5	-68.2	-171.8	173.9	0	0	106.4	P14 V18	P14-E16 PolarHBondContact O-N 3.1Å; E16-V18 PolarHBondContact O-N 3.48Å
17	F	39	Very low	65	Low	175 Å²	175	102 Å²	102	77%	0.768	53%	0.527	S	S	*	.			trans	-61	94.5	152.3	-94.9	-87	0	0	0	103.7	S15 S19	S15-F17 PolarHBondContact O-N 3.34Å; F17-S19 PolarHBondContact O-N 3.23Å
18	V	43.6	Very low	65.5	Low	124 Å²	124	103 Å²	103	75%	0.752	53%	0.529	S	S	*	.			trans	-45.2	108.4	150.3	177.4	0	0	0	0	102.9	E16 E20	E16-V18 PolarHBondContact O-N 3.48Å; V18-E20 VanDerWaalsContact C-N 3.27Å; V18-E20 PolarHBondContact O-N 2.71Å
19	S	49.7	Very low	66	Low	81 Å²	81	101.2 Å²	101.2	57%	0.566	52%	0.522	S	S	*	.			trans	-60.1	102.3	-178.6	60.6	0	0	0	0	105.5	F17 F21	F17-S19 PolarHBondContact O-N 3.23Å; S19-F21 PolarHBondContact O-N 3.11Å
20	E	60.7	Low	67	Low	147 Å²	147	96.7 Å²	96.7	69%	0.687	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-61	118.6	173.7	-162.4	176.7	172.5	0	0	104.9	V18	V18-E20 VanDerWaalsContact C-N 3.27Å; V18-E20 PolarHBondContact O-N 2.71Å
21	F	73	Confident	68	Low	61 Å²	61	88.1 Å²	88.1	27%	0.268	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-61.4	148.5	-176.5	-66.1	-78.7	0	0	0	109.7	S19 K23 D33 R34	S19-F21 PolarHBondContact O-N 3.11Å; F21-K23 PolarHBondContact O-N 3.31Å; F21-D33 WeakPolarHBondContact CD1-OD2 3.5Å; F21-R34 VanDerWaalsContact CB-CZ 3.49Å; F21-R34 VanDerWaalsContact CD1-NH1 3.27Å; F21-R34 VanDerWaalsContact CD2-CZ 3.47Å; F21-R34 VanDerWaalsContact CE1-NH1 3.32Å
22	I	78.8	Confident	68.9	Low	66 Å²	66	86 Å²	86	34%	0.338	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-63.7	126.1	-176.3	-61.4	174.2	0	0	0	109.1	T24 D33	I22-T24 HydrophobicContact CG2-CG2 4.29Å; I22-T24 PolarHBondContact O-N 3.38Å; I22-D33 HydrophobicContact CD1-CB 4.35Å; I22-D33 WeakPolarHBondContact CD1-OD1 3.23Å; I22-D33 PolarHBondContact N-OD2 3.32Å
23	K	82.7	Confident	70.4	Confident	108 Å²	108	81.4 Å²	81.4	47%	0.47	43%	0.434	S	S	.	.			trans	-78.4	103.1	165.9	-64.7	-176.2	-176	-175.6	0	107.6	F21 L129 P156	F21-K23 PolarHBondContact O-N 3.31Å; K23-L129 HydrophobicContact CB-CD1 4.24Å; K23-L129 HydrophobicContact CB-CD2 4.43Å; K23-L129 HydrophobicContact CD-CD1 4.48Å; K23-P156 HydrophobicContact CG-CB 4.13Å
24	T	86.1	Confident	72.5	Confident	10 Å²	10	79.4 Å²	79.4	6%	0.061	42%	0.418	C	S	.	.			trans	-136	146.8	-177.7	-177.4	0	0	0	0	110.2	I22 E26 E29 C30 C130	I22-T24 HydrophobicContact CG2-CG2 4.29Å; I22-T24 PolarHBondContact O-N 3.38Å; T24-E26 VanDerWaalsContact C-N 3.34Å; T24-E26 WeakPolarHBondContact CG2-O 3.45Å; T24-E26 PolarHBondContact OG1-N 3.43Å; T24-E29 HydrophobicContact CG2-CB 4.3Å; T24-E29 HydrophobicContact CG2-CG 4.47Å; T24-E29 PolarHBondContact OG1-OE2 2.88Å; T24-C30 HydrophobicContact CG2-CB 3.81Å; T24-C130 WeakPolarHBondContact O-CB 3.4Å; T24-C130 PolarHBondContact O-N 3.28Å; T24-C130 PolarHBondContact O-SG 3.08Å; T24-C130 VanDerWaalsContact O-SG 3.4Å
25	D	84.1	Confident	74.9	Confident	81 Å²	81	75.1 Å²	75.1	43%	0.433	39%	0.389	S	S	.	.	S	Bend	trans	-90.3	-2.2	168.2	63.1	-24.6	0	0	0	111.9	K124	D25-K124 WeakPolarHBondContact O-CD 3.38Å; D25-K124 WeakPolarHBondContact O-CE 3.23Å; D25-K124 PolarHBondContact O-NZ 2.97Å
26	E	88.2	Confident	77.4	Confident	92 Å²	92	76.2 Å²	76.2	43%	0.43	38%	0.382	S	S	.	.			trans	-93.4	113.9	176.3	-69.6	-59.3	158.9	0	0	112	T24 H28 E29 C30	T24-E26 VanDerWaalsContact C-N 3.34Å; T24-E26 WeakPolarHBondContact CG2-O 3.45Å; T24-E26 PolarHBondContact OG1-N 3.43Å; E26-H28 PolarHBondContact O-N 3Å; E26-E29 HydrophobicContact CB-CB 4.01Å; E26-E29 PolarHBondContact O-N 3.11Å; E26-C30 PolarHBondContact O-N 3.14Å
27	P	86.3	Confident	79.9	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-72.9	-30.7	-169.8	27	-30	0	0	0	112.3	C30 V31 F105 K124	P27-C30 WeakPolarHBondContact O-CB 3.44Å; P27-C30 PolarHBondContact O-N 3.36Å; P27-V31 WeakPolarHBondContact O-CG2 3.46Å; P27-V31 PolarHBondContact O-N 2.82Å; P27-F105 HydrophobicContact CB-CB 4.13Å; P27-F105 HydrophobicContact CB-CD1 4.44Å; P27-F105 HydrophobicContact CB-CD2 3.27Å; P27-F105 HydrophobicContact CB-CE2 3.68Å; P27-F105 HydrophobicContact CB-CG 3.7Å; P27-F105 HydrophobicContact CB-CZ 4.41Å; P27-F105 HydrophobicContact CG-CD1 4.39Å; P27-F105 HydrophobicContact CG-CD2 3.54Å; P27-F105 HydrophobicContact CG-CE1 4.26Å; P27-F105 HydrophobicContact CG-CE2 3.36Å; P27-F105 HydrophobicContact CG-CG 4.05Å; P27-F105 HydrophobicContact CG-CZ 3.75Å; P27-K124 HydrophobicContact CB-CB 4.42Å; P27-K124 HydrophobicContact CG-CD 4.05Å
28	H	87.1	Confident	82.6	Confident	123 Å²	123	65.2 Å²	65.2	57%	0.569	34%	0.34	S	S	*	.	H	α-helix	trans	-68.8	-39.3	175.1	-68.1	-71.7	0	0	0	112.1	E26 V31 A32 F105	E26-H28 PolarHBondContact O-N 3Å; H28-V31 PolarHBondContact O-N 2.9Å; H28-A32 WeakPolarHBondContact O-CB 3.34Å; H28-A32 PolarHBondContact O-N 3.39Å; H28-F105 AromaticContact CE1-CD1 3.64Å; H28-F105 AromaticContact CE1-CE1 3.65Å; H28-F105 AromaticContact NE2-CD1 3.86Å; H28-F105 AromaticContact NE2-CE1 3.44Å; H28-F105 WeakPolarHBondContact NE2-CE1 3.4Å
29	E	89.2	Confident	84.9	Confident	96 Å²	96	62.2 Å²	62.2	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-41.4	174.4	-172	179.7	-159.4	0	0	110.5	T24 E26 V31 A32 D33	T24-E29 HydrophobicContact CG2-CB 4.3Å; T24-E29 HydrophobicContact CG2-CG 4.47Å; T24-E29 PolarHBondContact OG1-OE2 2.88Å; E26-E29 HydrophobicContact CB-CB 4.01Å; E26-E29 PolarHBondContact O-N 3.11Å; E29-V31 PolarHBondContact O-N 3.31Å; E29-A32 PolarHBondContact O-N 3.35Å; E29-D33 WeakPolarHBondContact O-CB 3.34Å; E29-D33 PolarHBondContact O-N 2.94Å
30	C	91	Very high	87.1	Confident	4 Å²	4	65.7 Å²	65.7	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-56.2	-50.9	173.1	174.6	0	0	0	0	111.7	T24 E26 P27 A32 D33 R34 C122 C130	T24-C30 HydrophobicContact CG2-CB 3.81Å; E26-C30 PolarHBondContact O-N 3.14Å; P27-C30 WeakPolarHBondContact O-CB 3.44Å; P27-C30 PolarHBondContact O-N 3.36Å; C30-A32 PolarHBondContact O-N 3.49Å; C30-D33 PolarHBondContact O-N 3.44Å; C30-R34 VanDerWaalsContact O-CG 3.3Å; C30-R34 WeakPolarHBondContact O-CG 3.27Å; C30-R34 PolarHBondContact O-N 2.9Å; C30-R34 VanDerWaalsContact O-N 3.08Å; C30-C122 HydrophobicContact CB-CB 3.71Å; C30-C122 WeakPolarHBondContact CB-SG 3.33Å; C30-C122 WeakPolarHBondContact SG-CB 3.35Å; C30-C122 CovalentContact SG-SG 2.04Å; C30-C122 PolarHBondContact SG-SG 2.79Å; C30-C130 HydrophobicContact CB-CB 4.02Å
31	V	90.6	Very high	88.7	Confident	16 Å²	16	60.8 Å²	60.8	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-42.4	179.3	173	0	0	0	0	111.1	P27 H28 E29 D33 R34 L35 F105 A107 C122	P27-V31 WeakPolarHBondContact O-CG2 3.46Å; P27-V31 PolarHBondContact O-N 2.82Å; H28-V31 PolarHBondContact O-N 2.9Å; E29-V31 PolarHBondContact O-N 3.31Å; V31-D33 VanDerWaalsContact C-N 3.33Å; V31-D33 PolarHBondContact O-N 3.23Å; V31-R34 PolarHBondContact O-N 3.33Å; V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 WeakPolarHBondContact O-CG 3.43Å; V31-L35 PolarHBondContact O-N 3.4Å; V31-L35 VanDerWaalsContact O-N 3.15Å; V31-F105 HydrophobicContact CG2-CB 4.21Å; V31-A107 HydrophobicContact CG1-CB 3.57Å; V31-C122 HydrophobicContact CG2-CB 3.84Å; V31-C122 PolarHBondContact N-SG 2.97Å
32	A	90.3	Very high	89.7	Confident	54 Å²	54	60.2 Å²	60.2	45%	0.446	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-39.9	177.7	0	0	0	0	0	112.2	H28 E29 C30 L35 K36	H28-A32 WeakPolarHBondContact O-CB 3.34Å; H28-A32 PolarHBondContact O-N 3.39Å; E29-A32 PolarHBondContact O-N 3.35Å; C30-A32 PolarHBondContact O-N 3.49Å; A32-L35 PolarHBondContact O-N 3.48Å; A32-K36 PolarHBondContact O-N 3.03Å
33	D	90.8	Very high	90.3	Very high	15 Å²	15	65.4 Å²	65.4	8%	0.08	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-44	174.6	-170.6	59.2	0	0	0	111.5	F21 I22 E29 C30 V31 L35 K36	F21-D33 WeakPolarHBondContact CD1-OD2 3.5Å; I22-D33 HydrophobicContact CD1-CB 4.35Å; I22-D33 WeakPolarHBondContact CD1-OD1 3.23Å; I22-D33 PolarHBondContact N-OD2 3.32Å; E29-D33 WeakPolarHBondContact O-CB 3.34Å; E29-D33 PolarHBondContact O-N 2.94Å; C30-D33 PolarHBondContact O-N 3.44Å; V31-D33 VanDerWaalsContact C-N 3.33Å; V31-D33 PolarHBondContact O-N 3.23Å; D33-L35 PolarHBondContact O-N 3.34Å; D33-K36 WeakPolarHBondContact O-CB 3.49Å; D33-K36 WeakPolarHBondContact O-CG 3.36Å; D33-K36 PolarHBondContact O-N 3.39Å; D33-K36 VanDerWaalsContact O-N 3.13Å; D33-K36 WeakPolarHBondContact OD1-CD 3.41Å; D33-K36 VanDerWaalsContact OD1-CE 3.26Å; D33-K36 WeakPolarHBondContact OD1-CE 3.4Å; D33-K36 IonicContact OD1-NZ 2.73Å; D33-K36 PolarHBondContact OD1-NZ 3.39Å
34	R	90.5	Very high	90.8	Very high	27 Å²	27	64 Å²	64	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-20.7	176.9	-61.5	-63.2	164.4	169.1	-5.8	113.9	F21 C30 V31 P37 M120 S132	F21-R34 VanDerWaalsContact CB-CZ 3.49Å; F21-R34 VanDerWaalsContact CD1-NH1 3.27Å; F21-R34 VanDerWaalsContact CD2-CZ 3.47Å; F21-R34 VanDerWaalsContact CE1-NH1 3.32Å; C30-R34 VanDerWaalsContact O-CG 3.3Å; C30-R34 WeakPolarHBondContact O-CG 3.27Å; C30-R34 PolarHBondContact O-N 2.9Å; C30-R34 VanDerWaalsContact O-N 3.08Å; V31-R34 PolarHBondContact O-N 3.33Å; R34-P37 WeakPolarHBondContact O-CD 3.41Å; R34-M120 HydrophobicContact CB-CB 4.27Å; R34-M120 HydrophobicContact CB-CG 4.12Å; R34-M120 HydrophobicContact CB-SD 3.99Å; R34-S132 PolarHBondContact NE-OG 2.76Å; R34-S132 PolarHBondContact NH2-OG 3.04Å
35	L	92.2	Very high	91.1	Very high	21 Å²	21	66.3 Å²	66.3	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-87.3	-13.6	176.6	-69.1	170.3	0	0	0	113.6	V31 A32 D33 P37 F38 L49 A107 M120	V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 WeakPolarHBondContact O-CG 3.43Å; V31-L35 PolarHBondContact O-N 3.4Å; V31-L35 VanDerWaalsContact O-N 3.15Å; A32-L35 PolarHBondContact O-N 3.48Å; D33-L35 PolarHBondContact O-N 3.34Å; L35-P37 VanDerWaalsContact C-CD 3.42Å; L35-F38 PolarHBondContact O-N 2.84Å; L35-L49 HydrophobicContact CD1-CD1 3.76Å; L35-L49 HydrophobicContact CD1-CD2 4.31Å; L35-L49 HydrophobicContact CD2-CD1 3.9Å; L35-A107 HydrophobicContact CD1-CB 4.11Å; L35-M120 HydrophobicContact CD2-CG 4.1Å
36	K	92.7	Very high	91.6	Very high	121 Å²	121	64.6 Å²	64.6	53%	0.526	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-51.9	-42.3	-179.7	-71.4	175.8	-179	166.2	0	114.3	A32 D33 F38 A39	A32-K36 PolarHBondContact O-N 3.03Å; D33-K36 WeakPolarHBondContact O-CB 3.49Å; D33-K36 WeakPolarHBondContact O-CG 3.36Å; D33-K36 PolarHBondContact O-N 3.39Å; D33-K36 VanDerWaalsContact O-N 3.13Å; D33-K36 WeakPolarHBondContact OD1-CD 3.41Å; D33-K36 VanDerWaalsContact OD1-CE 3.26Å; D33-K36 WeakPolarHBondContact OD1-CE 3.4Å; D33-K36 IonicContact OD1-NZ 2.73Å; D33-K36 PolarHBondContact OD1-NZ 3.39Å; K36-F38 PolarHBondContact O-N 2.82Å; K36-F38 VanDerWaalsContact O-N 3.09Å; K36-A39 VanDerWaalsContact O-CB 3.27Å; K36-A39 WeakPolarHBondContact O-CB 3.4Å; K36-A39 PolarHBondContact O-N 3.38Å
37	P	91.9	Very high	91.9	Very high	90 Å²	90	60.2 Å²	60.2	58%	0.584	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59.2	-24.2	178	-25.2	36.2	0	0	0	113.8	R34 L35	R34-P37 WeakPolarHBondContact O-CD 3.41Å; L35-P37 VanDerWaalsContact C-CD 3.42Å
38	F	94	Very high	92.3	Very high	29 Å²	29	60.9 Å²	60.9	13%	0.127	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-93.6	-2.3	-179.2	-58.4	-80.6	0	0	0	113.6	L35 K36 K40 K41 L42 L109 H118 M120	L35-F38 PolarHBondContact O-N 2.84Å; K36-F38 PolarHBondContact O-N 2.82Å; K36-F38 VanDerWaalsContact O-N 3.09Å; F38-K40 VanDerWaalsContact C-N 3.26Å; F38-K40 PolarHBondContact O-N 3.43Å; F38-K41 PolarHBondContact O-N 2.93Å; F38-L42 HydrophobicContact CB-CD1 4.4Å; F38-L42 HydrophobicContact CB-CG 4.44Å; F38-L42 WeakPolarHBondContact O-CG 3.39Å; F38-L42 PolarHBondContact O-N 2.93Å; F38-L109 HydrophobicContact CB-CD2 3.97Å; F38-L109 HydrophobicContact CD1-CD2 3.18Å; F38-L109 HydrophobicContact CD2-CD2 3.83Å; F38-L109 HydrophobicContact CE1-CD2 3.42Å; F38-L109 VanDerWaalsContact CE1-CD2 3.42Å; F38-L109 HydrophobicContact CE2-CD2 4.05Å; F38-L109 HydrophobicContact CG-CD2 3.38Å; F38-L109 HydrophobicContact CZ-CD2 3.85Å; F38-H118 AromaticContact CE1-CD2 3.91Å; F38-H118 AromaticContact CE1-NE2 3.76Å; F38-H118 AromaticContact CZ-CD2 3.98Å; F38-H118 AromaticContact CZ-CE1 3.93Å; F38-H118 AromaticContact CZ-CG 3.93Å; F38-H118 AromaticContact CZ-ND1 3.92Å; F38-H118 AromaticContact CZ-NE2 3.99Å; F38-M120 HydrophobicContact CE2-CE 4.23Å
39	A	93.7	Very high	92.6	Very high	60 Å²	60	57.3 Å²	57.3	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-54.7	-40.4	-175.1	0	0	0	0	0	113	K36 K43	K36-A39 VanDerWaalsContact O-CB 3.27Å; K36-A39 WeakPolarHBondContact O-CB 3.4Å; K36-A39 PolarHBondContact O-N 3.38Å; A39-K43 WeakPolarHBondContact O-CB 3.5Å; A39-K43 PolarHBondContact O-N 2.97Å; A39-K43 VanDerWaalsContact O-N 3.09Å
40	K	94.5	Very high	92.7	Very high	154 Å²	154	53 Å²	53	67%	0.67	28%	0.276	S	S	*	.	H	α-helix	trans	-65.6	-49.4	175.2	-175.3	-178.7	177.1	-172.5	0	111.7	F38 L42 K43 D44	F38-K40 VanDerWaalsContact C-N 3.26Å; F38-K40 PolarHBondContact O-N 3.43Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.24Å; K40-K43 WeakPolarHBondContact O-CB 3.49Å; K40-K43 PolarHBondContact O-N 2.92Å; K40-K43 VanDerWaalsContact O-N 3.14Å; K40-D44 WeakPolarHBondContact CE-OD2 3.5Å; K40-D44 WeakPolarHBondContact CG-OD2 3.25Å; K40-D44 WeakPolarHBondContact O-CB 3.35Å; K40-D44 PolarHBondContact O-N 3.38Å
41	K	94.9	Very high	92.3	Very high	44 Å²	44	57 Å²	57	19%	0.191	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-38	179.8	-67.9	-166.8	172.9	-163.3	0	112.5	F38 D44 L45 D46 A47 D111 D114	F38-K41 PolarHBondContact O-N 2.93Å; K41-D44 PolarHBondContact O-N 3.19Å; K41-L45 PolarHBondContact O-N 3.21Å; K41-D46 HydrophobicContact CB-CB 4.06Å; K41-D46 HydrophobicContact CG-CB 4.32Å; K41-D46 PolarHBondContact O-N 3.42Å; K41-A47 HydrophobicContact CB-CB 3.76Å; K41-A47 PolarHBondContact O-N 3.25Å; K41-A47 VanDerWaalsContact O-N 3.11Å; K41-D111 VanDerWaalsContact CD-OD2 3.26Å; K41-D111 WeakPolarHBondContact CD-OD2 3.46Å; K41-D111 WeakPolarHBondContact CE-OD2 3.31Å; K41-D111 IonicContact NZ-OD1 2.68Å; K41-D111 PolarHBondContact NZ-OD1 3.5Å; K41-D111 VanDerWaalsContact NZ-OD1 3.12Å; K41-D111 IonicContact NZ-OD2 3.94Å; K41-D111 PolarHBondContact NZ-OD2 2.82Å; K41-D114 IonicContact NZ-OD1 2.73Å; K41-D114 PolarHBondContact NZ-OD1 3.44Å; K41-D114 IonicContact NZ-OD2 3.62Å; K41-D114 PolarHBondContact NZ-OD2 3.48Å
42	L	93.4	Very high	91.3	Very high	49 Å²	49	59.8 Å²	59.8	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-44.1	174.3	-71.9	170.4	0	0	0	111.7	F38 K40 L45 A47 L49 L109	F38-L42 HydrophobicContact CB-CD1 4.4Å; F38-L42 HydrophobicContact CB-CG 4.44Å; F38-L42 WeakPolarHBondContact O-CG 3.39Å; F38-L42 PolarHBondContact O-N 2.93Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.24Å; L42-L45 PolarHBondContact O-N 3.3Å; L42-A47 HydrophobicContact CD2-CB 4.43Å; L42-L49 HydrophobicContact CD2-CB 3.9Å; L42-L109 HydrophobicContact CD2-CD1 3.69Å; L42-L109 HydrophobicContact CG-CD1 4.32Å
43	K	92.5	Very high	90.3	Very high	175 Å²	175	65.6 Å²	65.6	76%	0.761	33%	0.331	S	S	*	.	H	α-helix	trans	-64.5	-41.2	177.2	-176.3	-174.2	176.6	-174.1	0	112.1	A39 K40 L45	A39-K43 WeakPolarHBondContact O-CB 3.5Å; A39-K43 PolarHBondContact O-N 2.97Å; A39-K43 VanDerWaalsContact O-N 3.09Å; K40-K43 WeakPolarHBondContact O-CB 3.49Å; K40-K43 PolarHBondContact O-N 2.92Å; K40-K43 VanDerWaalsContact O-N 3.14Å; K43-L45 PolarHBondContact O-N 2.89Å
44	D	92.5	Very high	89.2	Confident	78 Å²	78	67.8 Å²	67.8	42%	0.417	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	1.4	-175.8	-63.9	-16.4	0	0	0	112.8	K40 K41 D46	K40-D44 WeakPolarHBondContact CE-OD2 3.5Å; K40-D44 WeakPolarHBondContact CG-OD2 3.25Å; K40-D44 WeakPolarHBondContact O-CB 3.35Å; K40-D44 PolarHBondContact O-N 3.38Å; K41-D44 PolarHBondContact O-N 3.19Å; D44-D46 PolarHBondContact O-N 2.93Å
45	L	91.9	Very high	87.7	Confident	60 Å²	60	72 Å²	72	31%	0.314	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	27.5	-175.4	-53.5	174.6	0	0	0	113.8	K41 L42 K43 F48 A336	K41-L45 PolarHBondContact O-N 3.21Å; L42-L45 PolarHBondContact O-N 3.3Å; K43-L45 PolarHBondContact O-N 2.89Å; L45-F48 HydrophobicContact CB-CE1 4.49Å; L45-F48 HydrophobicContact CB-CZ 4.35Å; L45-F48 HydrophobicContact CD2-CE1 4.17Å; L45-A336 HydrophobicContact CD1-CB 4.21Å
46	D	94.9	Very high	86	Confident	44 Å²	44	79.2 Å²	79.2	24%	0.235	41%	0.41	C	S	.	.	S	Bend	trans	-88	-17.6	172.4	-81.8	-22.3	0	0	0	112	K41 D44 I112 R113	K41-D46 HydrophobicContact CB-CB 4.06Å; K41-D46 HydrophobicContact CG-CB 4.32Å; K41-D46 PolarHBondContact O-N 3.42Å; D44-D46 PolarHBondContact O-N 2.93Å; D46-I112 WeakPolarHBondContact O-CG1 3.5Å; D46-I112 PolarHBondContact O-N 3.4Å; D46-I112 VanDerWaalsContact O-N 3.08Å; D46-R113 HydrophobicContact CB-CB 3.79Å; D46-R113 HydrophobicContact CB-CG 4.42Å; D46-R113 PolarHBondContact O-N 3.27Å
47	A	96	Very high	84.7	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.008	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.2	172.6	0	0	0	0	0	111.2	K41 L42 L109 L110	K41-A47 HydrophobicContact CB-CB 3.76Å; K41-A47 PolarHBondContact O-N 3.25Å; K41-A47 VanDerWaalsContact O-N 3.11Å; L42-A47 HydrophobicContact CD2-CB 4.43Å; A47-L109 HydrophobicContact CB-CD1 4.2Å; A47-L109 HydrophobicContact CB-CD2 4.3Å; A47-L109 HydrophobicContact CB-CG 4.28Å; A47-L110 CarbonylContact C-O 3.52Å; A47-L110 WeakPolarHBondContact CA-O 3.41Å
48	F	94.8	Very high	84.1	Confident	17 Å²	17	74.7 Å²	74.7	8%	0.075	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.4	179.2	-60.5	-78.8	0	0	0	110.8	L45 I50 L59 L109 L110 I112 K337 T341	L45-F48 HydrophobicContact CB-CE1 4.49Å; L45-F48 HydrophobicContact CB-CZ 4.35Å; L45-F48 HydrophobicContact CD2-CE1 4.17Å; F48-I50 HydrophobicContact CB-CD1 4.38Å; F48-I50 VanDerWaalsContact O-CD1 3.25Å; F48-I50 WeakPolarHBondContact O-CD1 3.26Å; F48-L59 HydrophobicContact CB-CD2 3.84Å; F48-L59 HydrophobicContact CD2-CD2 4.17Å; F48-L59 HydrophobicContact CG-CD2 4.04Å; F48-L109 WeakPolarHBondContact O-CA 3.21Å; F48-L109 WeakPolarHBondContact O-CD1 3.35Å; F48-L110 PolarHBondContact N-O 2.83Å; F48-L110 PolarHBondContact O-N 3.5Å; F48-I112 HydrophobicContact CD2-CG1 4.41Å; F48-I112 HydrophobicContact CD2-CG2 4Å; F48-I112 HydrophobicContact CE2-CD1 3.67Å; F48-I112 HydrophobicContact CE2-CG1 3.88Å; F48-I112 HydrophobicContact CE2-CG2 4.02Å; F48-I112 HydrophobicContact CZ-CD1 4.39Å; F48-K337 HydrophobicContact CE1-CB 4.4Å; F48-K337 HydrophobicContact CE1-CD 4.28Å; F48-K337 HydrophobicContact CE1-CG 3.72Å; F48-K337 HydrophobicContact CZ-CG 4.15Å; F48-T341 HydrophobicContact CD2-CG2 3.9Å; F48-T341 HydrophobicContact CE1-CG2 4.42Å; F48-T341 HydrophobicContact CE2-CG2 3.42Å; F48-T341 VanDerWaalsContact CE2-CG2 3.42Å; F48-T341 HydrophobicContact CZ-CG2 3.72Å
49	L	93.1	Very high	84	Confident	48 Å²	48	73.9 Å²	73.9	25%	0.251	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.2	175.2	-175.7	67.9	0	0	0	110.1	L35 L42 Q51 S57 A107 L109	L35-L49 HydrophobicContact CD1-CD1 3.76Å; L35-L49 HydrophobicContact CD1-CD2 4.31Å; L35-L49 HydrophobicContact CD2-CD1 3.9Å; L42-L49 HydrophobicContact CD2-CB 3.9Å; L49-Q51 HydrophobicContact CD2-CG 4.3Å; L49-Q51 HydrophobicContact CG-CG 4.27Å; L49-S57 PolarHBondContact O-OG 3.25Å; L49-A107 HydrophobicContact CD1-CB 4.11Å; L49-L109 HydrophobicContact CB-CD1 4.46Å; L49-L109 HydrophobicContact CD1-CD1 4.4Å
50	I	91.2	Very high	84	Confident	6 Å²	6	71.1 Å²	71.1	3%	0.031	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.8	174.8	-58.3	77.6	0	0	0	107.2	F48 L59 T61 L108 L110	F48-I50 HydrophobicContact CB-CD1 4.38Å; F48-I50 VanDerWaalsContact O-CD1 3.25Å; F48-I50 WeakPolarHBondContact O-CD1 3.26Å; I50-L59 HydrophobicContact CD1-CB 4.31Å; I50-L59 HydrophobicContact CD1-CD2 4.48Å; I50-L59 HydrophobicContact CG1-CB 3.88Å; I50-L59 WeakPolarHBondContact CG1-O 3.1Å; I50-T61 HydrophobicContact CD1-CG2 3.89Å; I50-T61 HydrophobicContact CG1-CG2 4.3Å; I50-L108 HydrophobicContact CB-CB 4.12Å; I50-L108 PolarHBondContact N-O 3.22Å; I50-L108 PolarHBondContact O-N 3.39Å; I50-L110 HydrophobicContact CD1-CB 4.11Å
51	Q	82	Confident	84.1	Confident	88 Å²	88	63.8 Å²	63.8	41%	0.411	34%	0.337	S	S	.	.			trans	-102.3	110.8	172.8	-73.6	-179.6	-16.1	0	0	108	L49 E53 N54	L49-Q51 HydrophobicContact CD2-CG 4.3Å; L49-Q51 HydrophobicContact CG-CG 4.27Å; Q51-E53 PolarHBondContact O-N 2.88Å; Q51-E53 VanDerWaalsContact O-N 3.1Å; Q51-N54 HydrophobicContact CB-CB 3.98Å; Q51-N54 PolarHBondContact O-N 2.95Å
52	P	70.6	Confident	84.1	Confident	74 Å²	74	61.7 Å²	61.7	48%	0.481	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.8	-176.7	-25	33.7	0	0	0	114	L108	P52-L108 HydrophobicContact CG-CD1 4.45Å
53	E	68.8	Low	84.3	Confident	177 Å²	177	59.3 Å²	59.3	83%	0.827	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.4	179.9	-58	-166.3	177	0	0	113.5	Q51	Q51-E53 PolarHBondContact O-N 2.88Å; Q51-E53 VanDerWaalsContact O-N 3.1Å
54	N	68.4	Low	84.5	Confident	61 Å²	61	51 Å²	51	33%	0.326	28%	0.279	S	S	.	.			trans	-102.1	111	-178.4	-169.1	-9.4	0	0	0	110.6	Q51 Q56 S57	Q51-N54 HydrophobicContact CB-CB 3.98Å; Q51-N54 PolarHBondContact O-N 2.95Å; N54-Q56 PolarHBondContact O-N 3.33Å; N54-Q56 VanDerWaalsContact O-N 3.08Å; N54-Q56 WeakPolarHBondContact OD1-CB 3.28Å; N54-Q56 PolarHBondContact OD1-N 2.89Å; N54-S57 PolarHBondContact O-N 3.27Å
55	S	57.8	Low	84.7	Confident	116 Å²	116	47.3 Å²	47.3	81%	0.811	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.9	-179.5	58.7	0	0	0	0	114.3
56	Q	56.2	Low	84.9	Confident	172 Å²	172	44.5 Å²	44.5	80%	0.804	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-19.8	-175.4	-64.1	-177.4	-10.2	0	0	114.4	N54	N54-Q56 PolarHBondContact O-N 3.33Å; N54-Q56 VanDerWaalsContact O-N 3.08Å; N54-Q56 WeakPolarHBondContact OD1-CB 3.28Å; N54-Q56 PolarHBondContact OD1-N 2.89Å
57	S	65	Low	84.8	Confident	39 Å²	39	44.6 Å²	44.6	27%	0.273	24%	0.244	S	C	.	.			trans	-123.5	79.1	-179.3	-169.8	0	0	0	0	111.4	L49 N54 L59	L49-S57 PolarHBondContact O-OG 3.25Å; N54-S57 PolarHBondContact O-N 3.27Å; S57-L59 PolarHBondContact O-N 3.49Å
58	S	80.6	Confident	84.8	Confident	76 Å²	76	44.7 Å²	44.7	53%	0.531	24%	0.244	S	C	.	.			trans	-95.2	82.1	174.3	53.4	0	0	0	0	110.7	T391	S58-T391 WeakPolarHBondContact O-CG2 3.45Å
59	L	91.6	Very high	84.9	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.063	24%	0.241	C	C	.	.			trans	-113	138.9	168.5	-168.1	71.9	0	0	0	109.3	F48 I50 S57 T61 Q73 L110 T341 Y345 V390	F48-L59 HydrophobicContact CB-CD2 3.84Å; F48-L59 HydrophobicContact CD2-CD2 4.17Å; F48-L59 HydrophobicContact CG-CD2 4.04Å; I50-L59 HydrophobicContact CD1-CB 4.31Å; I50-L59 HydrophobicContact CD1-CD2 4.48Å; I50-L59 HydrophobicContact CG1-CB 3.88Å; I50-L59 WeakPolarHBondContact CG1-O 3.1Å; S57-L59 PolarHBondContact O-N 3.49Å; L59-T61 PolarHBondContact O-N 2.84Å; L59-Q73 PolarHBondContact O-NE2 3.33Å; L59-L110 HydrophobicContact CD2-CD2 3.76Å; L59-L110 HydrophobicContact CG-CD2 4.44Å; L59-T341 HydrophobicContact CD1-CG2 4.48Å; L59-T341 HydrophobicContact CD2-CG2 4.19Å; L59-Y345 HydrophobicContact CD1-CE2 4.12Å; L59-Y345 WeakPolarHBondContact CD1-OH 3.12Å; L59-Y345 WeakPolarHBondContact CG-OH 3.45Å; L59-V390 CarbonylContact C-O 3.55Å; L59-V390 WeakPolarHBondContact CA-O 3.21Å; L59-V390 WeakPolarHBondContact CD1-O 3.39Å
60	L	94.2	Very high	85	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.229	C	C	.	.			trans	-76	119.3	174.8	-177	71.3	0	0	0	109.3	F62 S71 Q73 Y345 V390 L393	L60-F62 HydrophobicContact CD2-CB 4.41Å; L60-F62 PolarHBondContact O-N 2.86Å; L60-S71 VanDerWaalsContact CD1-OG 3.28Å; L60-S71 WeakPolarHBondContact CD1-OG 3.46Å; L60-Q73 HydrophobicContact CD1-CB 4.03Å; L60-Y345 PolarHBondContact O-OH 3.27Å; L60-V390 HydrophobicContact CB-CG1 4.02Å; L60-V390 HydrophobicContact CD2-CG1 4.22Å; L60-V390 PolarHBondContact N-O 2.78Å; L60-L393 HydrophobicContact CD2-CD2 3.76Å; L60-L393 HydrophobicContact CD2-CG 4.24Å
61	T	95.1	Very high	85.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.			trans	-69.6	126.1	167	64	0	0	0	0	107.3	I50 L59 S71 F72 Q73 L108 L110	I50-T61 HydrophobicContact CD1-CG2 3.89Å; I50-T61 HydrophobicContact CG1-CG2 4.3Å; L59-T61 PolarHBondContact O-N 2.84Å; T61-S71 WeakPolarHBondContact O-CA 3.44Å; T61-S71 WeakPolarHBondContact O-CB 3.24Å; T61-S71 PolarHBondContact O-OG 2.76Å; T61-F72 HydrophobicContact CG2-CD2 4.49Å; T61-F72 WeakPolarHBondContact OG1-CB 3.18Å; T61-F72 WeakPolarHBondContact OG1-CD2 3.38Å; T61-F72 PolarHBondContact OG1-N 3.32Å; T61-Q73 PolarHBondContact OG1-OE1 3.39Å; T61-L108 HydrophobicContact CG2-CB 3.83Å; T61-L108 HydrophobicContact CG2-CD1 4.36Å; T61-L110 HydrophobicContact CG2-CB 4.45Å
62	F	96.6	Very high	85.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.			trans	-144.4	139.5	-179.9	-175.4	-103.4	0	0	0	109.2	L60 C70 L78 L85 L110 M117 Y344 Y345 L393 M396	L60-F62 HydrophobicContact CD2-CB 4.41Å; L60-F62 PolarHBondContact O-N 2.86Å; F62-C70 WeakPolarHBondContact CA-O 3.41Å; F62-C70 VanDerWaalsContact CD2-O 3.29Å; F62-C70 WeakPolarHBondContact CD2-O 3.4Å; F62-L78 HydrophobicContact CE2-CD1 4.21Å; F62-L85 HydrophobicContact CE1-CD1 4.01Å; F62-L85 HydrophobicContact CZ-CD1 3.6Å; F62-L110 WeakPolarHBondContact O-CD1 3.21Å; F62-M117 WeakPolarHBondContact CA-SD 2.97Å; F62-M117 PolarHBondContact N-SD 3.47Å; F62-Y344 WeakPolarHBondContact O-CE1 3.24Å; F62-Y344 PolarHBondContact O-OH 3.41Å; F62-Y345 HydrophobicContact CB-CD1 4.3Å; F62-Y345 HydrophobicContact CB-CE1 3.8Å; F62-Y345 HydrophobicContact CD1-CD1 4.37Å; F62-L393 HydrophobicContact CD2-CD2 4.46Å; F62-L393 HydrophobicContact CE2-CD2 4.44Å; F62-M396 HydrophobicContact CD1-SD 3.82Å; F62-M396 HydrophobicContact CD2-CE 4.21Å; F62-M396 HydrophobicContact CD2-SD 4.01Å; F62-M396 HydrophobicContact CE1-CE 4.3Å; F62-M396 HydrophobicContact CE1-SD 3.87Å; F62-M396 HydrophobicContact CE2-CE 3.79Å; F62-M396 HydrophobicContact CE2-SD 4.08Å; F62-M396 HydrophobicContact CG-SD 3.87Å; F62-M396 HydrophobicContact CZ-CE 3.83Å; F62-M396 HydrophobicContact CZ-SD 3.99Å
63	T	97.4	Very high	86.6	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.6	165.3	-173.3	0	0	0	0	108.1	G69 C70 G115 M117 V137 Y138 A139	T63-G69 CarbonylContact O-C 3.57Å; T63-G69 WeakPolarHBondContact O-CA 3.43Å; T63-C70 PolarHBondContact N-O 2.88Å; T63-C70 PolarHBondContact O-N 2.91Å; T63-G115 PolarHBondContact OG1-O 3.45Å; T63-M117 HydrophobicContact CG2-CE 3.56Å; T63-M117 HydrophobicContact CG2-CG 4.37Å; T63-M117 HydrophobicContact CG2-SD 4.22Å; T63-M117 PolarHBondContact N-SD 3Å; T63-M117 VanDerWaalsContact N-SD 3.38Å; T63-V137 HydrophobicContact CG2-CG1 4.06Å; T63-Y138 WeakPolarHBondContact OG1-CA 3.27Å; T63-A139 PolarHBondContact OG1-N 3.34Å; T63-A139 VanDerWaalsContact OG1-N 3.16Å
64	G	96.9	Very high	87.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	155.8	179.1	0	0	0	0	0	111.3	L68 S348	G64-L68 VanDerWaalsContact CA-O 3.23Å; G64-L68 WeakPolarHBondContact CA-O 3.41Å; G64-S348 CarbonylContact C-O 3.52Å; G64-S348 WeakPolarHBondContact CA-O 3.42Å; G64-S348 WeakPolarHBondContact O-CA 3.49Å
65	N	95.9	Very high	87.9	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.193	C	C	.	.			trans	-118	15.7	176.6	66.7	3.7	0	0	0	112	F67 L68 A139 H140 P144 S348 P351	N65-F67 PolarHBondContact O-N 2.86Å; N65-F67 WeakPolarHBondContact OD1-CB 3.13Å; N65-F67 PolarHBondContact OD1-N 3.36Å; N65-L68 PolarHBondContact N-O 2.9Å; N65-L68 VanDerWaalsContact N-O 3.1Å; N65-L68 PolarHBondContact OD1-N 2.91Å; N65-L68 PolarHBondContact OD1-O 3.45Å; N65-A139 HydrophobicContact CB-CB 4.03Å; N65-H140 WeakPolarHBondContact CB-O 3.19Å; N65-H140 PolarHBondContact ND2-O 2.94Å; N65-P144 WeakPolarHBondContact ND2-CA 3.49Å; N65-P144 PolarHBondContact ND2-O 3.39Å; N65-S348 PolarHBondContact N-O 3.47Å; N65-P351 WeakPolarHBondContact O-CA 3.31Å
66	G	95.2	Very high	89.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	79.1	-12.9	-174.2	0	0	0	0	0	116.2	H80 S348	G66-H80 WeakPolarHBondContact O-CB 3.44Å; G66-H80 PolarHBondContact O-CD2 3.39Å; G66-S348 PolarHBondContact N-O 2.83Å
67	F	94.3	Very high	91.1	Very high	47 Å²	47	24 Å²	24	21%	0.206	13%	0.126	C	C	.	.	S	Bend	trans	-103.5	-43.4	173.3	-64.3	-85	0	0	0	112	N65 H80 L85 P144 P351 L353	N65-F67 PolarHBondContact O-N 2.86Å; N65-F67 WeakPolarHBondContact OD1-CB 3.13Å; N65-F67 PolarHBondContact OD1-N 3.36Å; F67-H80 PolarHBondContact O-N 3.13Å; F67-L85 VanDerWaalsContact C-CD2 3.44Å; F67-L85 WeakPolarHBondContact O-CD2 3.4Å; F67-P144 HydrophobicContact CB-CB 4.32Å; F67-P144 HydrophobicContact CD1-CB 4.4Å; F67-P144 HydrophobicContact CD2-CB 3.43Å; F67-P144 VanDerWaalsContact CD2-CB 3.43Å; F67-P144 HydrophobicContact CD2-CG 4.04Å; F67-P144 HydrophobicContact CE2-CB 3.63Å; F67-P144 HydrophobicContact CE2-CG 3.73Å; F67-P144 HydrophobicContact CG-CB 3.81Å; F67-P144 HydrophobicContact CZ-CB 4.23Å; F67-P144 HydrophobicContact CZ-CG 4.26Å; F67-P351 HydrophobicContact CD2-CB 3.83Å; F67-P351 HydrophobicContact CE1-CB 4.3Å; F67-P351 HydrophobicContact CE2-CB 3.28Å; F67-P351 HydrophobicContact CZ-CB 3.55Å; F67-P351 HydrophobicContact CZ-CG 4.45Å; F67-L353 HydrophobicContact CZ-CD2 4.18Å
68	L	95.1	Very high	92.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157	173.8	66.8	89.4	0	0	0	110.6	G64 N65 L78 A139 P144 S145 L147 I257	G64-L68 VanDerWaalsContact CA-O 3.23Å; G64-L68 WeakPolarHBondContact CA-O 3.41Å; N65-L68 PolarHBondContact N-O 2.9Å; N65-L68 VanDerWaalsContact N-O 3.1Å; N65-L68 PolarHBondContact OD1-N 2.91Å; N65-L68 PolarHBondContact OD1-O 3.45Å; L68-L78 CarbonylContact C-O 3.56Å; L68-L78 VanDerWaalsContact CA-O 3.32Å; L68-L78 WeakPolarHBondContact CA-O 3.49Å; L68-A139 HydrophobicContact CD1-CB 3.58Å; L68-A139 HydrophobicContact CG-CB 4.49Å; L68-P144 WeakPolarHBondContact CD2-O 3.28Å; L68-S145 WeakPolarHBondContact CD2-O 3.33Å; L68-L147 HydrophobicContact CD1-CB 3.96Å; L68-L147 HydrophobicContact CD1-CD1 4.11Å; L68-L147 HydrophobicContact CD1-CG 4.47Å; L68-I257 HydrophobicContact CD2-CB 4.12Å; L68-I257 HydrophobicContact CD2-CD1 4.32Å
69	G	96.2	Very high	93	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	166.4	170.8	0	0	0	0	0	112.9	T63 L78	T63-G69 CarbonylContact O-C 3.57Å; T63-G69 WeakPolarHBondContact O-CA 3.43Å; G69-L78 PolarHBondContact N-O 3.25Å; G69-L78 PolarHBondContact O-N 3.48Å
70	C	95.8	Very high	92.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	171.7	179.7	65	0	0	0	0	111.4	F62 T63 A93	F62-C70 WeakPolarHBondContact CA-O 3.41Å; F62-C70 VanDerWaalsContact CD2-O 3.29Å; F62-C70 WeakPolarHBondContact CD2-O 3.4Å; T63-C70 PolarHBondContact N-O 2.88Å; T63-C70 PolarHBondContact O-N 2.91Å; C70-A93 HydrophobicContact CB-CB 3.7Å
71	S	94.9	Very high	92.5	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.			trans	-139	152.9	-178.2	175	0	0	0	0	110.6	L60 T61 Q73 E74 L94	L60-S71 VanDerWaalsContact CD1-OG 3.28Å; L60-S71 WeakPolarHBondContact CD1-OG 3.46Å; T61-S71 WeakPolarHBondContact O-CA 3.44Å; T61-S71 WeakPolarHBondContact O-CB 3.24Å; T61-S71 PolarHBondContact O-OG 2.76Å; S71-Q73 VanDerWaalsContact C-N 3.31Å; S71-Q73 PolarHBondContact OG-N 2.99Å; S71-Q73 VanDerWaalsContact OG-N 3.08Å; S71-Q73 PolarHBondContact OG-OE1 2.91Å; S71-Q73 VanDerWaalsContact OG-OE1 3.09Å; S71-E74 CarbonylContact O-C 3.57Å; S71-L94 VanDerWaalsContact O-CD1 3.28Å; S71-L94 WeakPolarHBondContact O-CD1 3.47Å
72	F	92.6	Very high	91.8	Very high	27 Å²	27	28 Å²	28	12%	0.118	14%	0.136	C	C	.	.	S	Bend	trans	-72.8	-25	168	-71.1	-60.5	0	0	0	113.4	T61 L94 L108 M117 H118 K119 T135 V137	T61-F72 HydrophobicContact CG2-CD2 4.49Å; T61-F72 WeakPolarHBondContact OG1-CB 3.18Å; T61-F72 WeakPolarHBondContact OG1-CD2 3.38Å; T61-F72 PolarHBondContact OG1-N 3.32Å; F72-L94 HydrophobicContact CD1-CD1 3.51Å; F72-L94 HydrophobicContact CE1-CD1 3.89Å; F72-L94 HydrophobicContact CG-CD1 4.29Å; F72-L108 HydrophobicContact CB-CD1 4.02Å; F72-L108 HydrophobicContact CB-CD2 3.97Å; F72-L108 HydrophobicContact CD2-CD2 4Å; F72-L108 HydrophobicContact CG-CD2 4.07Å; F72-M117 HydrophobicContact CD2-CB 3.92Å; F72-M117 HydrophobicContact CD2-CE 4.34Å; F72-M117 HydrophobicContact CD2-SD 4.39Å; F72-M117 HydrophobicContact CE2-CB 3.42Å; F72-M117 VanDerWaalsContact CE2-CB 3.42Å; F72-M117 HydrophobicContact CE2-CE 4.34Å; F72-M117 HydrophobicContact CZ-CB 4.24Å; F72-H118 VanDerWaalsContact CE2-C 3.43Å; F72-K119 HydrophobicContact CD1-CB 4.3Å; F72-K119 HydrophobicContact CD1-CD 4.31Å; F72-K119 HydrophobicContact CD2-CB 4.28Å; F72-K119 HydrophobicContact CE1-CB 3.91Å; F72-K119 HydrophobicContact CE1-CD 4.4Å; F72-K119 HydrophobicContact CE2-CB 3.86Å; F72-K119 HydrophobicContact CG-CB 4.47Å; F72-K119 HydrophobicContact CZ-CB 3.67Å; F72-T135 HydrophobicContact CE1-CG2 4.12Å; F72-T135 HydrophobicContact CZ-CG2 4.2Å; F72-V137 HydrophobicContact CE1-CG2 3.66Å; F72-V137 HydrophobicContact CZ-CB 4.22Å; F72-V137 HydrophobicContact CZ-CG2 3.57Å
73	Q	89.6	Confident	91.2	Very high	66 Å²	66	29.4 Å²	29.4	31%	0.308	15%	0.15	S	C	.	.	S	Bend	trans	-78.7	-27.2	177.7	-68.4	100.3	-42.5	0	0	112	L59 L60 T61 S71 L108	L59-Q73 PolarHBondContact O-NE2 3.33Å; L60-Q73 HydrophobicContact CD1-CB 4.03Å; T61-Q73 PolarHBondContact OG1-OE1 3.39Å; S71-Q73 VanDerWaalsContact C-N 3.31Å; S71-Q73 PolarHBondContact OG-N 2.99Å; S71-Q73 VanDerWaalsContact OG-N 3.08Å; S71-Q73 PolarHBondContact OG-OE1 2.91Å; S71-Q73 VanDerWaalsContact OG-OE1 3.09Å; Q73-L108 HydrophobicContact CG-CD1 4.4Å
74	E	83.3	Confident	90.9	Very high	78 Å²	78	30.2 Å²	30.2	36%	0.364	15%	0.153	S	C	.	.	S	Bend	trans	-123.2	112.8	-175.6	-63.8	-77.8	-177.5	0	0	109.7	S71 N76 L393	S71-E74 CarbonylContact O-C 3.57Å; E74-N76 PolarHBondContact O-N 3.41Å; E74-L393 HydrophobicContact CB-CD1 3.82Å; E74-L393 HydrophobicContact CB-CG 4.47Å; E74-L393 HydrophobicContact CG-CD1 3.6Å; E74-L393 HydrophobicContact CG-CG 3.94Å
75	H	81.1	Confident	90.7	Very high	115 Å²	115	30.2 Å²	30.2	53%	0.532	15%	0.153	S	C	.	.			trans	-74.2	2.3	-168.1	-60.7	84.1	0	0	0	115	A93	H75-A93 WeakPolarHBondContact O-CB 3.33Å; H75-A93 PolarHBondContact O-N 2.88Å
76	N	88.8	Confident	90.3	Very high	38 Å²	38	31.5 Å²	31.5	20%	0.203	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.2	-170.7	-66.3	-41.7	0	0	0	112.1	E74 T89	E74-N76 PolarHBondContact O-N 3.41Å; N76-T89 WeakPolarHBondContact CB-O 3.13Å; N76-T89 VanDerWaalsContact CG-O 3.22Å
77	I	92	Very high	90	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.2	172.9	-65.3	160.3	0	0	0	109.3	I79 T89 I91 A93 I257	I77-I79 HydrophobicContact CG2-CG2 3.92Å; I77-T89 WeakPolarHBondContact O-CB 3.47Å; I77-T89 PolarHBondContact O-N 3.14Å; I77-T89 PolarHBondContact O-OG1 3.13Å; I77-I91 HydrophobicContact CD1-CB 3.99Å; I77-I91 HydrophobicContact CD1-CG2 3.64Å; I77-I91 PolarHBondContact N-O 3.13Å; I77-A93 HydrophobicContact CG1-CB 3.6Å; I77-I257 HydrophobicContact CD1-CD1 3.42Å; I77-I257 VanDerWaalsContact CD1-CD1 3.42Å; I77-I257 HydrophobicContact CD1-CG1 4.24Å; I77-I257 HydrophobicContact CG1-CD1 4.28Å; I77-I257 HydrophobicContact CG2-CD1 4.39Å
78	L	94	Very high	89.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.4	166.7	-74	96.8	0	0	0	110.5	F62 L68 G69 L85 Q87 L393 M396	F62-L78 HydrophobicContact CE2-CD1 4.21Å; L68-L78 CarbonylContact C-O 3.56Å; L68-L78 VanDerWaalsContact CA-O 3.32Å; L68-L78 WeakPolarHBondContact CA-O 3.49Å; G69-L78 PolarHBondContact N-O 3.25Å; G69-L78 PolarHBondContact O-N 3.48Å; L78-L85 HydrophobicContact CB-CB 4.29Å; L78-Q87 WeakPolarHBondContact CA-O 3.41Å; L78-L393 HydrophobicContact CD1-CD1 3.87Å; L78-L393 HydrophobicContact CD1-CD2 3.67Å; L78-L393 HydrophobicContact CD1-CG 4.44Å; L78-L393 HydrophobicContact CD2-CD1 4.23Å; L78-L393 HydrophobicContact CD2-CD2 3.71Å; L78-L393 HydrophobicContact CD2-CG 4.48Å; L78-L393 HydrophobicContact CG-CD1 4.49Å; L78-L393 HydrophobicContact CG-CD2 4.34Å; L78-M396 HydrophobicContact CD2-CE 4.26Å
79	I	92.4	Very high	89.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151	-174.8	68.4	172.4	0	0	0	112	I77 N81 S86 Q87 T89 I207 L228 V230 I259	I77-I79 HydrophobicContact CG2-CG2 3.92Å; I79-N81 PolarHBondContact O-N 3.2Å; I79-S86 PolarHBondContact O-N 3.15Å; I79-Q87 HydrophobicContact CD1-CB 4.16Å; I79-Q87 HydrophobicContact CD1-CG 3.77Å; I79-Q87 HydrophobicContact CG1-CB 3.57Å; I79-Q87 HydrophobicContact CG1-CG 3.71Å; I79-Q87 WeakPolarHBondContact CG1-O 3.3Å; I79-Q87 PolarHBondContact N-O 3.47Å; I79-Q87 PolarHBondContact O-N 3.4Å; I79-T89 HydrophobicContact CD1-CG2 3.87Å; I79-T89 HydrophobicContact CG1-CG2 4.07Å; I79-T89 HydrophobicContact CG2-CG2 3.71Å; I79-I207 HydrophobicContact CD1-CD1 3.52Å; I79-L228 HydrophobicContact CD1-CD1 4.42Å; I79-V230 HydrophobicContact CD1-CG2 4.47Å; I79-I259 HydrophobicContact CB-CD1 3.19Å; I79-I259 HydrophobicContact CD1-CD1 3.75Å; I79-I259 HydrophobicContact CG1-CD1 3.99Å; I79-I259 HydrophobicContact CG2-CD1 3.16Å
80	H	90.1	Very high	89	Confident	65 Å²	65	40.6 Å²	40.6	30%	0.301	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.8	179.5	-177.7	-91.7	0	0	0	111.7	G66 F67 G83 F84 L85	G66-H80 WeakPolarHBondContact O-CB 3.44Å; G66-H80 PolarHBondContact O-CD2 3.39Å; F67-H80 PolarHBondContact O-N 3.13Å; H80-G83 VanDerWaalsContact NE2-C 3.26Å; H80-G83 WeakPolarHBondContact NE2-CA 3.32Å; H80-F84 WeakPolarHBondContact CA-O 3.32Å; H80-F84 PolarHBondContact NE2-N 3.04Å; H80-L85 HydrophobicContact CB-CD2 4.09Å
81	N	85.7	Confident	88.7	Confident	22 Å²	22	40.6 Å²	40.6	12%	0.118	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	135.9	173.1	-177.1	26.8	0	0	0	109	I79 G83 F84 S86 Q87	I79-N81 PolarHBondContact O-N 3.2Å; N81-G83 VanDerWaalsContact C-N 3.29Å; N81-G83 PolarHBondContact O-N 3.19Å; N81-F84 PolarHBondContact N-O 3.07Å; N81-S86 WeakPolarHBondContact CB-OG 3.45Å; N81-S86 PolarHBondContact O-OG 3.03Å; N81-Q87 HydrophobicContact CB-CB 3.95Å
82	N	80.9	Confident	88.3	Confident	126 Å²	126	41.7 Å²	41.7	67%	0.674	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	34	-177	-59.9	-27.7	0	0	0	115.1
83	G	83.1	Confident	87.9	Confident	28 Å²	28	40.6 Å²	40.6	29%	0.289	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	6.6	172.2	0	0	0	0	0	115.8	H80 N81	H80-G83 VanDerWaalsContact NE2-C 3.26Å; H80-G83 WeakPolarHBondContact NE2-CA 3.32Å; N81-G83 VanDerWaalsContact C-N 3.29Å; N81-G83 PolarHBondContact O-N 3.19Å
84	F	90.3	Very high	87.9	Confident	17 Å²	17	38 Å²	38	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	174.7	172.2	64.8	-77.5	0	0	0	111.1	H80 N81 S86 N349 H397 I400	H80-F84 WeakPolarHBondContact CA-O 3.32Å; H80-F84 PolarHBondContact NE2-N 3.04Å; N81-F84 PolarHBondContact N-O 3.07Å; F84-S86 PolarHBondContact O-N 3.38Å; F84-N349 HydrophobicContact CB-CB 4.38Å; F84-H397 HydrophobicContact CE2-CB 4.11Å; F84-I400 HydrophobicContact CB-CG2 3.64Å; F84-I400 HydrophobicContact CD1-CG2 4.42Å; F84-I400 HydrophobicContact CD2-CB 4.36Å; F84-I400 HydrophobicContact CD2-CG2 3.99Å; F84-I400 HydrophobicContact CG-CG2 3.79Å
85	L	92.4	Very high	88.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	90.6	177.4	-55.2	172.6	0	0	0	109.5	F62 F67 L78 H80 N349 H397	F62-L85 HydrophobicContact CE1-CD1 4.01Å; F62-L85 HydrophobicContact CZ-CD1 3.6Å; F67-L85 VanDerWaalsContact C-CD2 3.44Å; F67-L85 WeakPolarHBondContact O-CD2 3.4Å; L78-L85 HydrophobicContact CB-CB 4.29Å; H80-L85 HydrophobicContact CB-CD2 4.09Å; L85-N349 VanDerWaalsContact CB-OD1 3.29Å; L85-N349 WeakPolarHBondContact CB-OD1 3.33Å; L85-N349 PolarHBondContact N-OD1 3.37Å; L85-H397 PolarHBondContact O-CD2 3.42Å; L85-H397 PolarHBondContact O-NE2 2.84Å; L85-H397 VanDerWaalsContact O-NE2 3.13Å
86	S	89.2	Confident	88.3	Confident	29 Å²	29	31 Å²	31	20%	0.203	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-24.2	-171.2	67.5	0	0	0	0	113.8	I79 N81 F84	I79-S86 PolarHBondContact O-N 3.15Å; N81-S86 WeakPolarHBondContact CB-OG 3.45Å; N81-S86 PolarHBondContact O-OG 3.03Å; F84-S86 PolarHBondContact O-N 3.38Å
87	Q	88.8	Confident	88.2	Confident	56 Å²	56	29.7 Å²	29.7	26%	0.262	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116	-175.4	178.3	66.8	49.2	0	0	109.3	L78 I79 N81	L78-Q87 WeakPolarHBondContact CA-O 3.41Å; I79-Q87 HydrophobicContact CD1-CB 4.16Å; I79-Q87 HydrophobicContact CD1-CG 3.77Å; I79-Q87 HydrophobicContact CG1-CB 3.57Å; I79-Q87 HydrophobicContact CG1-CG 3.71Å; I79-Q87 WeakPolarHBondContact CG1-O 3.3Å; I79-Q87 PolarHBondContact N-O 3.47Å; I79-Q87 PolarHBondContact O-N 3.4Å; N81-Q87 HydrophobicContact CB-CB 3.95Å
88	S	89.3	Confident	87.6	Confident	51 Å²	51	32.7 Å²	32.7	36%	0.357	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135.9	171.2	-173.8	0	0	0	0	109.4
89	T	88.5	Confident	86.8	Confident	4 Å²	4	32.8 Å²	32.8	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	173.1	175.8	70	0	0	0	0	110.6	N76 I77 I79 I91 I207	N76-T89 WeakPolarHBondContact CB-O 3.13Å; N76-T89 VanDerWaalsContact CG-O 3.22Å; I77-T89 WeakPolarHBondContact O-CB 3.47Å; I77-T89 PolarHBondContact O-N 3.14Å; I77-T89 PolarHBondContact O-OG1 3.13Å; I79-T89 HydrophobicContact CD1-CG2 3.87Å; I79-T89 HydrophobicContact CG1-CG2 4.07Å; I79-T89 HydrophobicContact CG2-CG2 3.71Å; T89-I91 VanDerWaalsContact C-N 3.34Å; T89-I91 HydrophobicContact CG2-CD1 4.46Å; T89-I91 PolarHBondContact OG1-N 3.05Å; T89-I207 HydrophobicContact CG2-CD1 3.7Å
90	K	87.1	Confident	85.6	Confident	130 Å²	130	40.3 Å²	40.3	57%	0.565	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	13.8	167.6	-62.4	-59.5	-175.3	-176.9	0	112.6
91	I	89.5	Confident	84.6	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.5	179.1	-54.2	166.5	0	0	0	107.7	I77 T89 A93 L170 W173 V230 V232	I77-I91 HydrophobicContact CD1-CB 3.99Å; I77-I91 HydrophobicContact CD1-CG2 3.64Å; I77-I91 PolarHBondContact N-O 3.13Å; T89-I91 VanDerWaalsContact C-N 3.34Å; T89-I91 HydrophobicContact CG2-CD1 4.46Å; T89-I91 PolarHBondContact OG1-N 3.05Å; I91-A93 PolarHBondContact O-N 2.97Å; I91-L170 HydrophobicContact CG2-CD2 3.83Å; I91-W173 HydrophobicContact CD1-CD2 4.25Å; I91-W173 HydrophobicContact CD1-CE3 4.4Å; I91-W173 HydrophobicContact CD1-CH2 3.94Å; I91-W173 HydrophobicContact CD1-CZ2 3.77Å; I91-W173 HydrophobicContact CD1-CZ3 4.27Å; I91-W173 HydrophobicContact CG1-CD2 3.75Å; I91-W173 HydrophobicContact CG1-CE3 4.18Å; I91-W173 HydrophobicContact CG1-CG 4.05Å; I91-W173 HydrophobicContact CG1-CZ2 4.13Å; I91-V230 HydrophobicContact CD1-CG1 3.91Å; I91-V232 HydrophobicContact CD1-CG2 3.78Å; I91-V232 HydrophobicContact CG2-CG2 4.42Å
92	P	86.4	Confident	84.2	Confident	22 Å²	22	40.3 Å²	40.3	14%	0.143	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	122.5	178.1	26.1	-32.8	0	0	0	110	G168	P92-G168 WeakPolarHBondContact CG-O 3.48Å
93	A	83.5	Confident	84.1	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.033	22%	0.223	C	C	.	.			trans	-80.8	-46.7	-176.2	0	0	0	0	0	112.8	C70 H75 I77 I91	C70-A93 HydrophobicContact CB-CB 3.7Å; H75-A93 WeakPolarHBondContact O-CB 3.33Å; H75-A93 PolarHBondContact O-N 2.88Å; I77-A93 HydrophobicContact CG1-CB 3.6Å; I91-A93 PolarHBondContact O-N 2.97Å
94	L	90.1	Very high	84.2	Confident	13 Å²	13	39.9 Å²	39.9	7%	0.068	22%	0.223	C	C	.	.			trans	-124.4	141.7	-162.4	-58.1	-177.9	0	0	0	111.8	S71 F72 V137	S71-L94 VanDerWaalsContact O-CD1 3.28Å; S71-L94 WeakPolarHBondContact O-CD1 3.47Å; F72-L94 HydrophobicContact CD1-CD1 3.51Å; F72-L94 HydrophobicContact CE1-CD1 3.89Å; F72-L94 HydrophobicContact CG-CD1 4.29Å; L94-V137 HydrophobicContact CD2-CB 4.4Å; L94-V137 HydrophobicContact CD2-CG1 3.61Å; L94-V137 HydrophobicContact CD2-CG2 3.9Å
95	I	87.1	Confident	84	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.041	23%	0.229	C	C	.	.			trans	-83.6	141.7	170.4	-62.4	171.8	0	0	0	108.5	Q149 F151 I165 K167 F253	I95-Q149 PolarHBondContact O-NE2 2.84Å; I95-F151 HydrophobicContact CB-CE2 4.01Å; I95-F151 HydrophobicContact CB-CZ 3.7Å; I95-F151 HydrophobicContact CG2-CE2 4.01Å; I95-F151 HydrophobicContact CG2-CZ 3.71Å; I95-F151 WeakPolarHBondContact O-CZ 3.47Å; I95-I165 HydrophobicContact CG2-CG2 3.31Å; I95-K167 HydrophobicContact CD1-CD 3.91Å; I95-K167 HydrophobicContact CG1-CB 4.14Å; I95-K167 HydrophobicContact CG1-CD 3.55Å; I95-K167 VanDerWaalsContact CG1-CE 3.5Å; I95-K167 HydrophobicContact CG1-CG 3.73Å; I95-F253 HydrophobicContact CD1-CB 4.19Å; I95-F253 HydrophobicContact CD1-CD1 3.09Å; I95-F253 HydrophobicContact CD1-CD2 4.33Å; I95-F253 HydrophobicContact CD1-CE1 3.33Å; I95-F253 HydrophobicContact CD1-CG 3.64Å; I95-F253 HydrophobicContact CD1-CZ 4.11Å
96	T	86.2	Confident	83.9	Confident	37 Å²	37	46.3 Å²	46.3	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143	174.2	62.6	0	0	0	0	110.2	D166	T96-D166 PolarHBondContact N-O 2.89Å; T96-D166 PolarHBondContact O-N 3.47Å; T96-D166 PolarHBondContact OG1-O 3.42Å
97	L	84.7	Confident	84	Confident	10 Å²	10	45 Å²	45	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.8	172.3	-60.8	-178.1	0	0	0	108.7	F123 F151 V153 V163 I165	L97-F123 HydrophobicContact CB-CZ 4.31Å; L97-F151 HydrophobicContact CD1-CB 4.08Å; L97-F151 HydrophobicContact CD1-CD1 3.31Å; L97-F151 HydrophobicContact CD1-CE1 3.94Å; L97-F151 HydrophobicContact CD1-CG 3.92Å; L97-F151 HydrophobicContact CD2-CD1 4.15Å; L97-F151 HydrophobicContact CD2-CE1 4.16Å; L97-F151 HydrophobicContact CG-CD1 3.53Å; L97-F151 HydrophobicContact CG-CE1 3.6Å; L97-F151 HydrophobicContact CG-CG 4.3Å; L97-F151 HydrophobicContact CG-CZ 4.39Å; L97-V153 HydrophobicContact CD1-CG2 3.72Å; L97-V163 HydrophobicContact CB-CG1 3.98Å; L97-V163 HydrophobicContact CD1-CG1 4.27Å; L97-V163 HydrophobicContact CD2-CG1 3.92Å; L97-V163 HydrophobicContact CG-CG1 4.26Å; L97-I165 HydrophobicContact CD2-CG1 3.97Å
98	D	81.1	Confident	84.3	Confident	65 Å²	65	42.8 Å²	42.8	35%	0.348	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.4	170.3	-169.9	28.6	0	0	0	109.1	K164	D98-K164 PolarHBondContact N-O 3.09Å; D98-K164 WeakPolarHBondContact O-CA 3.36Å; D98-K164 WeakPolarHBondContact O-CB 3.47Å; D98-K164 PolarHBondContact O-N 2.84Å; D98-K164 VanDerWaalsContact O-O 3.05Å
99	V	75.5	Confident	84.5	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.216	C	C	.	.			trans	-118.5	113.2	175	-171.9	0	0	0	0	106.1	G101 Y102 F123 V163	V99-G101 PolarHBondContact O-N 2.95Å; V99-Y102 HydrophobicContact CB-CD2 3.94Å; V99-Y102 HydrophobicContact CB-CG 4.04Å; V99-Y102 HydrophobicContact CG1-CD1 4.38Å; V99-Y102 HydrophobicContact CG1-CD2 3.36Å; V99-Y102 HydrophobicContact CG1-CE2 3.54Å; V99-Y102 HydrophobicContact CG1-CG 3.84Å; V99-Y102 WeakPolarHBondContact O-CB 3.49Å; V99-Y102 PolarHBondContact O-N 3.36Å; V99-F123 HydrophobicContact CB-CB 4.21Å; V99-F123 HydrophobicContact CB-CD1 3.96Å; V99-F123 HydrophobicContact CB-CG 4.05Å; V99-F123 HydrophobicContact CG2-CB 4.06Å; V99-F123 HydrophobicContact CG2-CD1 3.7Å; V99-F123 HydrophobicContact CG2-CD2 3.72Å; V99-F123 HydrophobicContact CG2-CE1 3.99Å; V99-F123 HydrophobicContact CG2-CE2 4.02Å; V99-F123 HydrophobicContact CG2-CG 3.55Å; V99-F123 HydrophobicContact CG2-CZ 4.15Å; V99-V163 HydrophobicContact CG2-CG1 4.35Å; V99-V163 HydrophobicContact CG2-CG2 4.35Å
100	H	68.3	Low	84.9	Confident	158 Å²	158	40.2 Å²	40.2	73%	0.731	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	124	-170.7	-175.7	71.4	0	0	0	111.3	Y102	H100-Y102 WeakPolarHBondContact O-CD2 3.24Å
101	G	69.3	Low	85.4	Confident	58 Å²	58	34.1 Å²	34.1	60%	0.598	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.9	-3.5	179.6	0	0	0	0	0	115.3	V99 H125	V99-G101 PolarHBondContact O-N 2.95Å; G101-H125 PolarHBondContact O-CD2 2.8Å
102	Y	76.9	Confident	85.8	Confident	29 Å²	29	34.2 Å²	34.2	11%	0.114	19%	0.188	C	C	.	.			trans	-97.9	146.5	-178.3	-69.5	-119.7	0	0	0	111.7	V99 H100 F123 K124 H125 E128 V131 N161	V99-Y102 HydrophobicContact CB-CD2 3.94Å; V99-Y102 HydrophobicContact CB-CG 4.04Å; V99-Y102 HydrophobicContact CG1-CD1 4.38Å; V99-Y102 HydrophobicContact CG1-CD2 3.36Å; V99-Y102 HydrophobicContact CG1-CE2 3.54Å; V99-Y102 HydrophobicContact CG1-CG 3.84Å; V99-Y102 WeakPolarHBondContact O-CB 3.49Å; V99-Y102 PolarHBondContact O-N 3.36Å; H100-Y102 WeakPolarHBondContact O-CD2 3.24Å; Y102-F123 HydrophobicContact CD1-CB 3.81Å; Y102-F123 HydrophobicContact CG-CB 4.08Å; Y102-K124 CarbonylContact C-O 3.54Å; Y102-K124 WeakPolarHBondContact CA-O 3.43Å; Y102-K124 WeakPolarHBondContact CB-O 3.36Å; Y102-H125 HydrophobicContact CD1-CB 3.51Å; Y102-H125 HydrophobicContact CD2-CB 3.91Å; Y102-H125 HydrophobicContact CE1-CB 3.27Å; Y102-H125 HydrophobicContact CE2-CB 3.72Å; Y102-H125 HydrophobicContact CG-CB 3.82Å; Y102-E128 PolarHBondContact OH-OE2 2.81Å; Y102-V131 HydrophobicContact CE1-CG2 4.41Å; Y102-N161 PolarHBondContact OH-ND2 2.7Å; Y102-N161 VanDerWaalsContact OH-ND2 3.09Å
103	V	79.7	Confident	86.2	Confident	89 Å²	89	36.6 Å²	36.6	54%	0.539	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.1	168	-175.1	0	0	0	0	108.9	F105 F123 K124	V103-F105 HydrophobicContact CB-CE2 4.08Å; V103-F105 HydrophobicContact CG1-CD2 4.08Å; V103-F105 HydrophobicContact CG1-CE2 3.46Å; V103-F105 VanDerWaalsContact CG1-CE2 3.46Å; V103-F105 HydrophobicContact CG1-CZ 4.06Å; V103-F123 WeakPolarHBondContact O-CA 3.42Å; V103-K124 PolarHBondContact N-O 3.19Å; V103-K124 PolarHBondContact O-N 2.64Å
104	N	83.5	Confident	86.9	Confident	57 Å²	57	37.7 Å²	37.7	31%	0.305	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.4	-176.1	-176.2	-11.2	0	0	0	111.5	F123	N104-F123 HydrophobicContact CB-CD1 4.03Å; N104-F123 HydrophobicContact CB-CE1 4.05Å; N104-F123 WeakPolarHBondContact ND2-CE1 3.5Å
105	F	86.4	Confident	87.2	Confident	46 Å²	46	37 Å²	37	20%	0.202	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.8	170	-68.2	-98.8	0	0	0	109.4	P27 H28 V31 V103 S121 C122	P27-F105 HydrophobicContact CB-CB 4.13Å; P27-F105 HydrophobicContact CB-CD1 4.44Å; P27-F105 HydrophobicContact CB-CD2 3.27Å; P27-F105 HydrophobicContact CB-CE2 3.68Å; P27-F105 HydrophobicContact CB-CG 3.7Å; P27-F105 HydrophobicContact CB-CZ 4.41Å; P27-F105 HydrophobicContact CG-CD1 4.39Å; P27-F105 HydrophobicContact CG-CD2 3.54Å; P27-F105 HydrophobicContact CG-CE1 4.26Å; P27-F105 HydrophobicContact CG-CE2 3.36Å; P27-F105 HydrophobicContact CG-CG 4.05Å; P27-F105 HydrophobicContact CG-CZ 3.75Å; H28-F105 AromaticContact CE1-CD1 3.64Å; H28-F105 AromaticContact CE1-CE1 3.65Å; H28-F105 AromaticContact NE2-CD1 3.86Å; H28-F105 AromaticContact NE2-CE1 3.44Å; H28-F105 WeakPolarHBondContact NE2-CE1 3.4Å; V31-F105 HydrophobicContact CG2-CB 4.21Å; V103-F105 HydrophobicContact CB-CE2 4.08Å; V103-F105 HydrophobicContact CG1-CD2 4.08Å; V103-F105 HydrophobicContact CG1-CE2 3.46Å; V103-F105 VanDerWaalsContact CG1-CE2 3.46Å; V103-F105 HydrophobicContact CG1-CZ 4.06Å; F105-S121 CarbonylContact O-C 3.06Å; F105-S121 VanDerWaalsContact O-CA 3.29Å; F105-S121 WeakPolarHBondContact O-CA 3.26Å; F105-C122 PolarHBondContact N-O 2.73Å; F105-C122 PolarHBondContact O-N 3.28Å
106	K	89.8	Confident	87.7	Confident	106 Å²	106	36.9 Å²	36.9	46%	0.461	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.6	-175	67.4	-174.5	176.2	-173.2	0	113.6	M120	K106-M120 CarbonylContact C-O 3.55Å; K106-M120 WeakPolarHBondContact CA-O 3.47Å
107	A	92.3	Very high	88.2	Confident	2 Å²	2	35.1 Å²	35.1	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139	166.7	0	0	0	0	0	109.5	V31 L35 L49 K119 M120	V31-A107 HydrophobicContact CG1-CB 3.57Å; L35-A107 HydrophobicContact CD1-CB 4.11Å; L49-A107 HydrophobicContact CD1-CB 4.11Å; A107-K119 WeakPolarHBondContact O-CA 3.31Å; A107-M120 PolarHBondContact N-O 3.4Å; A107-M120 PolarHBondContact O-N 3.14Å
108	L	94.4	Very high	88.8	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142.6	176	-54.3	179.6	0	0	0	109.2	I50 P52 T61 F72 Q73 H118 K119	I50-L108 HydrophobicContact CB-CB 4.12Å; I50-L108 PolarHBondContact N-O 3.22Å; I50-L108 PolarHBondContact O-N 3.39Å; P52-L108 HydrophobicContact CG-CD1 4.45Å; T61-L108 HydrophobicContact CG2-CB 3.83Å; T61-L108 HydrophobicContact CG2-CD1 4.36Å; F72-L108 HydrophobicContact CB-CD1 4.02Å; F72-L108 HydrophobicContact CB-CD2 3.97Å; F72-L108 HydrophobicContact CD2-CD2 4Å; F72-L108 HydrophobicContact CG-CD2 4.07Å; Q73-L108 HydrophobicContact CG-CD1 4.4Å; L108-H118 CarbonylContact C-O 3.55Å; L108-H118 WeakPolarHBondContact CA-O 3.29Å; L108-K119 HydrophobicContact CD2-CB 3.71Å; L108-K119 HydrophobicContact CD2-CD 4.06Å; L108-K119 HydrophobicContact CD2-CG 3.68Å
109	L	95	Very high	89.4	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.1	178.9	-170.7	86.5	0	0	0	109	F38 L42 A47 F48 L49 M117 H118	F38-L109 HydrophobicContact CB-CD2 3.97Å; F38-L109 HydrophobicContact CD1-CD2 3.18Å; F38-L109 HydrophobicContact CD2-CD2 3.83Å; F38-L109 HydrophobicContact CE1-CD2 3.42Å; F38-L109 VanDerWaalsContact CE1-CD2 3.42Å; F38-L109 HydrophobicContact CE2-CD2 4.05Å; F38-L109 HydrophobicContact CG-CD2 3.38Å; F38-L109 HydrophobicContact CZ-CD2 3.85Å; L42-L109 HydrophobicContact CD2-CD1 3.69Å; L42-L109 HydrophobicContact CG-CD1 4.32Å; A47-L109 HydrophobicContact CB-CD1 4.2Å; A47-L109 HydrophobicContact CB-CD2 4.3Å; A47-L109 HydrophobicContact CB-CG 4.28Å; F48-L109 WeakPolarHBondContact O-CA 3.21Å; F48-L109 WeakPolarHBondContact O-CD1 3.35Å; L49-L109 HydrophobicContact CB-CD1 4.46Å; L49-L109 HydrophobicContact CD1-CD1 4.4Å; L109-M117 WeakPolarHBondContact O-CA 3Å; L109-H118 HydrophobicContact CB-CB 4.12Å; L109-H118 PolarHBondContact N-O 3.22Å; L109-H118 PolarHBondContact O-N 2.7Å
110	L	97	Very high	90.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110	169.3	-176.9	63.4	0	0	0	109	A47 F48 I50 L59 T61 F62 I112 M117 Y344	A47-L110 CarbonylContact C-O 3.52Å; A47-L110 WeakPolarHBondContact CA-O 3.41Å; F48-L110 PolarHBondContact N-O 2.83Å; F48-L110 PolarHBondContact O-N 3.5Å; I50-L110 HydrophobicContact CD1-CB 4.11Å; L59-L110 HydrophobicContact CD2-CD2 3.76Å; L59-L110 HydrophobicContact CG-CD2 4.44Å; T61-L110 HydrophobicContact CG2-CB 4.45Å; F62-L110 WeakPolarHBondContact O-CD1 3.21Å; L110-I112 HydrophobicContact CD2-CG2 3.84Å; L110-I112 HydrophobicContact CG-CG2 3.79Å; L110-I112 PolarHBondContact O-N 3.27Å; L110-M117 HydrophobicContact CD1-CG 4Å; L110-Y344 HydrophobicContact CD1-CE1 3.73Å; L110-Y344 HydrophobicContact CD2-CD1 4.2Å; L110-Y344 HydrophobicContact CD2-CE1 4Å; L110-Y344 HydrophobicContact CG-CE1 4.17Å
111	D	97.4	Very high	91.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	90.7	176	-165.2	-36.9	0	0	0	109.1	K41 R113 D114 G115 L116	K41-D111 VanDerWaalsContact CD-OD2 3.26Å; K41-D111 WeakPolarHBondContact CD-OD2 3.46Å; K41-D111 WeakPolarHBondContact CE-OD2 3.31Å; K41-D111 IonicContact NZ-OD1 2.68Å; K41-D111 PolarHBondContact NZ-OD1 3.5Å; K41-D111 VanDerWaalsContact NZ-OD1 3.12Å; K41-D111 IonicContact NZ-OD2 3.94Å; K41-D111 PolarHBondContact NZ-OD2 2.82Å; D111-R113 VanDerWaalsContact C-N 3.26Å; D111-R113 PolarHBondContact O-N 3.48Å; D111-R113 PolarHBondContact OD1-N 3.35Å; D111-D114 WeakPolarHBondContact OD1-CB 3.49Å; D111-D114 PolarHBondContact OD1-N 3.01Å; D111-G115 PolarHBondContact O-N 3.18Å; D111-L116 WeakPolarHBondContact CA-O 3.44Å; D111-L116 HydrophobicContact CB-CB 4.2Å; D111-L116 WeakPolarHBondContact CB-O 3.36Å; D111-L116 PolarHBondContact N-O 3.18Å; D111-L116 PolarHBondContact O-N 3.1Å; D111-L116 VanDerWaalsContact O-N 3.09Å
112	I	96.9	Very high	92.4	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.015	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-24.8	-175.5	61	151.8	0	0	0	112.2	D46 F48 L110 W319 N340 Y344	D46-I112 WeakPolarHBondContact O-CG1 3.5Å; D46-I112 PolarHBondContact O-N 3.4Å; D46-I112 VanDerWaalsContact O-N 3.08Å; F48-I112 HydrophobicContact CD2-CG1 4.41Å; F48-I112 HydrophobicContact CD2-CG2 4Å; F48-I112 HydrophobicContact CE2-CD1 3.67Å; F48-I112 HydrophobicContact CE2-CG1 3.88Å; F48-I112 HydrophobicContact CE2-CG2 4.02Å; F48-I112 HydrophobicContact CZ-CD1 4.39Å; L110-I112 HydrophobicContact CD2-CG2 3.84Å; L110-I112 HydrophobicContact CG-CG2 3.79Å; L110-I112 PolarHBondContact O-N 3.27Å; I112-W319 PolarHBondContact O-NE1 3.45Å; I112-W319 VanDerWaalsContact O-NE1 3.15Å; I112-N340 HydrophobicContact CD1-CB 3.56Å; I112-Y344 HydrophobicContact CB-CD1 4.45Å; I112-Y344 HydrophobicContact CB-CD2 3.61Å; I112-Y344 HydrophobicContact CB-CE2 4.21Å; I112-Y344 HydrophobicContact CB-CG 3.73Å; I112-Y344 HydrophobicContact CG2-CD1 3.77Å; I112-Y344 HydrophobicContact CG2-CD2 3.85Å; I112-Y344 HydrophobicContact CG2-CE1 4.27Å; I112-Y344 HydrophobicContact CG2-CE2 4.32Å; I112-Y344 HydrophobicContact CG2-CG 3.53Å; I112-Y344 WeakPolarHBondContact O-CD2 3.34Å
113	R	95.8	Very high	93.1	Very high	72 Å²	72	22.4 Å²	22.4	27%	0.272	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-44	178.9	178.7	67.4	-167.1	-164.7	3.3	110.9	D46 D111 N316 W319	D46-R113 HydrophobicContact CB-CB 3.79Å; D46-R113 HydrophobicContact CB-CG 4.42Å; D46-R113 PolarHBondContact O-N 3.27Å; D111-R113 VanDerWaalsContact C-N 3.26Å; D111-R113 PolarHBondContact O-N 3.48Å; D111-R113 PolarHBondContact OD1-N 3.35Å; R113-N316 PolarHBondContact NE-OD1 3.45Å; R113-N316 PolarHBondContact NH2-OD1 3.33Å; R113-W319 PolarHBondContact O-NE1 3.08Å
114	D	96.7	Very high	93.4	Very high	26 Å²	26	20.9 Å²	20.9	14%	0.139	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-11.9	-173.5	-74.9	9.4	0	0	0	113.8	K41 D111 L116 H311 I312	K41-D114 IonicContact NZ-OD1 2.73Å; K41-D114 PolarHBondContact NZ-OD1 3.44Å; K41-D114 IonicContact NZ-OD2 3.62Å; K41-D114 PolarHBondContact NZ-OD2 3.48Å; D111-D114 WeakPolarHBondContact OD1-CB 3.49Å; D111-D114 PolarHBondContact OD1-N 3.01Å; D114-L116 HydrophobicContact CB-CD1 3.81Å; D114-L116 HydrophobicContact CB-CG 3.88Å; D114-H311 PolarHBondContact O-CD2 3.43Å; D114-H311 PolarHBondContact O-NE2 3.4Å; D114-H311 VanDerWaalsContact O-NE2 3.14Å; D114-I312 HydrophobicContact CB-CD1 4.37Å; D114-I312 HydrophobicContact CB-CG1 3.94Å; D114-I312 HydrophobicContact CB-CG2 4.5Å
115	G	97.6	Very high	93.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	12.4	-178.4	0	0	0	0	0	115.3	T63 D111 H311	T63-G115 PolarHBondContact OG1-O 3.45Å; D111-G115 PolarHBondContact O-N 3.18Å; G115-H311 PolarHBondContact O-NE2 3.24Å
116	L	98	Very high	93.1	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.7	-166.5	-51.2	173	0	0	0	111.3	D111 D114 T136 Y138 I312	D111-L116 WeakPolarHBondContact CA-O 3.44Å; D111-L116 HydrophobicContact CB-CB 4.2Å; D111-L116 WeakPolarHBondContact CB-O 3.36Å; D111-L116 PolarHBondContact N-O 3.18Å; D111-L116 PolarHBondContact O-N 3.1Å; D111-L116 VanDerWaalsContact O-N 3.09Å; D114-L116 HydrophobicContact CB-CD1 3.81Å; D114-L116 HydrophobicContact CB-CG 3.88Å; L116-T136 HydrophobicContact CB-CG2 4.12Å; L116-T136 HydrophobicContact CD1-CG2 4.28Å; L116-T136 HydrophobicContact CD2-CG2 4.36Å; L116-T136 HydrophobicContact CG-CG2 4.49Å; L116-Y138 VanDerWaalsContact CD2-CB 3.43Å; L116-Y138 HydrophobicContact CD2-CD1 3.6Å; L116-Y138 HydrophobicContact CD2-CD2 4.3Å; L116-Y138 HydrophobicContact CD2-CE1 4.43Å; L116-Y138 HydrophobicContact CD2-CG 3.52Å; L116-I312 HydrophobicContact CD1-CD1 4.28Å
117	M	96.6	Very high	92.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.8	161.8	-52.8	-179.3	-57.2	0	0	109.1	F62 T63 F72 L109 L110 T136 V137	F62-M117 WeakPolarHBondContact CA-SD 2.97Å; F62-M117 PolarHBondContact N-SD 3.47Å; T63-M117 HydrophobicContact CG2-CE 3.56Å; T63-M117 HydrophobicContact CG2-CG 4.37Å; T63-M117 HydrophobicContact CG2-SD 4.22Å; T63-M117 PolarHBondContact N-SD 3Å; T63-M117 VanDerWaalsContact N-SD 3.38Å; F72-M117 HydrophobicContact CD2-CB 3.92Å; F72-M117 HydrophobicContact CD2-CE 4.34Å; F72-M117 HydrophobicContact CD2-SD 4.39Å; F72-M117 HydrophobicContact CE2-CB 3.42Å; F72-M117 VanDerWaalsContact CE2-CB 3.42Å; F72-M117 HydrophobicContact CE2-CE 4.34Å; F72-M117 HydrophobicContact CZ-CB 4.24Å; L109-M117 WeakPolarHBondContact O-CA 3Å; L110-M117 HydrophobicContact CD1-CG 4Å; M117-T136 CarbonylContact O-C 3.49Å; M117-T136 WeakPolarHBondContact O-CA 3.35Å; M117-V137 HydrophobicContact CE-CB 3.88Å; M117-V137 HydrophobicContact CE-CG1 3.86Å; M117-V137 PolarHBondContact N-O 3.22Å; M117-V137 PolarHBondContact O-N 3.35Å
118	H	96.2	Very high	92.1	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.056	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.2	172.9	-49.3	-97	0	0	0	112	F38 F72 L108 L109 M120 T135 T136	F38-H118 AromaticContact CE1-CD2 3.91Å; F38-H118 AromaticContact CE1-NE2 3.76Å; F38-H118 AromaticContact CZ-CD2 3.98Å; F38-H118 AromaticContact CZ-CE1 3.93Å; F38-H118 AromaticContact CZ-CG 3.93Å; F38-H118 AromaticContact CZ-ND1 3.92Å; F38-H118 AromaticContact CZ-NE2 3.99Å; F72-H118 VanDerWaalsContact CE2-C 3.43Å; L108-H118 CarbonylContact C-O 3.55Å; L108-H118 WeakPolarHBondContact CA-O 3.29Å; L109-H118 HydrophobicContact CB-CB 4.12Å; L109-H118 PolarHBondContact N-O 3.22Å; L109-H118 PolarHBondContact O-N 2.7Å; H118-M120 HydrophobicContact CB-CE 3.61Å; H118-T135 CarbonylContact C-O 3.5Å; H118-T135 WeakPolarHBondContact CA-O 3.22Å; H118-T136 WeakPolarHBondContact CE1-CG2 3.29Å; H118-T136 WeakPolarHBondContact ND1-CG2 3.36Å; H118-T136 PolarHBondContact ND1-OG1 3.48Å
119	K	94.3	Very high	91.8	Very high	24 Å²	24	30.5 Å²	30.5	10%	0.104	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.1	169.7	171.1	-179.8	176.6	-171.4	0	107.7	F72 A107 L108 S121 T135	F72-K119 HydrophobicContact CD1-CB 4.3Å; F72-K119 HydrophobicContact CD1-CD 4.31Å; F72-K119 HydrophobicContact CD2-CB 4.28Å; F72-K119 HydrophobicContact CE1-CB 3.91Å; F72-K119 HydrophobicContact CE1-CD 4.4Å; F72-K119 HydrophobicContact CE2-CB 3.86Å; F72-K119 HydrophobicContact CG-CB 4.47Å; F72-K119 HydrophobicContact CZ-CB 3.67Å; A107-K119 WeakPolarHBondContact O-CA 3.31Å; L108-K119 HydrophobicContact CD2-CB 3.71Å; L108-K119 HydrophobicContact CD2-CD 4.06Å; L108-K119 HydrophobicContact CD2-CG 3.68Å; K119-S121 WeakPolarHBondContact CE-OG 3.38Å; K119-T135 PolarHBondContact N-O 2.83Å; K119-T135 PolarHBondContact O-N 3.33Å
120	M	93.3	Very high	91.5	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.069	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.9	171.9	-60.1	-58.4	126.9	0	0	107.4	R34 L35 F38 K106 A107 H118	R34-M120 HydrophobicContact CB-CB 4.27Å; R34-M120 HydrophobicContact CB-CG 4.12Å; R34-M120 HydrophobicContact CB-SD 3.99Å; L35-M120 HydrophobicContact CD2-CG 4.1Å; F38-M120 HydrophobicContact CE2-CE 4.23Å; K106-M120 CarbonylContact C-O 3.55Å; K106-M120 WeakPolarHBondContact CA-O 3.47Å; A107-M120 PolarHBondContact N-O 3.4Å; A107-M120 PolarHBondContact O-N 3.14Å; H118-M120 HydrophobicContact CB-CE 3.61Å
121	S	91.7	Very high	91.2	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.1	175.7	-36.2	0	0	0	0	109.6	F105 K119 S132 S133	F105-S121 CarbonylContact O-C 3.06Å; F105-S121 VanDerWaalsContact O-CA 3.29Å; F105-S121 WeakPolarHBondContact O-CA 3.26Å; K119-S121 WeakPolarHBondContact CE-OG 3.38Å; S121-S132 CarbonylContact O-C 3.54Å; S121-S132 WeakPolarHBondContact O-CA 3.26Å; S121-S133 WeakPolarHBondContact CB-OG 3.49Å; S121-S133 PolarHBondContact N-O 3.3Å; S121-S133 PolarHBondContact O-N 2.81Å; S121-S133 PolarHBondContact OG-OG 3.16Å
122	C	91.7	Very high	91	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.2	169.4	-68.3	0	0	0	0	108.7	C30 V31 F105 V131	C30-C122 HydrophobicContact CB-CB 3.71Å; C30-C122 WeakPolarHBondContact CB-SG 3.33Å; C30-C122 WeakPolarHBondContact SG-CB 3.35Å; C30-C122 CovalentContact SG-SG 2.04Å; C30-C122 PolarHBondContact SG-SG 2.79Å; V31-C122 HydrophobicContact CG2-CB 3.84Å; V31-C122 PolarHBondContact N-SG 2.97Å; F105-C122 PolarHBondContact N-O 2.73Å; F105-C122 PolarHBondContact O-N 3.28Å; C122-V131 WeakPolarHBondContact CA-O 3.41Å
123	F	90.8	Very high	90.7	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.2	-177.3	-57.3	-85.5	0	0	0	108	L97 V99 Y102 V103 N104 C130 V131	L97-F123 HydrophobicContact CB-CZ 4.31Å; V99-F123 HydrophobicContact CB-CB 4.21Å; V99-F123 HydrophobicContact CB-CD1 3.96Å; V99-F123 HydrophobicContact CB-CG 4.05Å; V99-F123 HydrophobicContact CG2-CB 4.06Å; V99-F123 HydrophobicContact CG2-CD1 3.7Å; V99-F123 HydrophobicContact CG2-CD2 3.72Å; V99-F123 HydrophobicContact CG2-CE1 3.99Å; V99-F123 HydrophobicContact CG2-CE2 4.02Å; V99-F123 HydrophobicContact CG2-CG 3.55Å; V99-F123 HydrophobicContact CG2-CZ 4.15Å; Y102-F123 HydrophobicContact CD1-CB 3.81Å; Y102-F123 HydrophobicContact CG-CB 4.08Å; V103-F123 WeakPolarHBondContact O-CA 3.42Å; N104-F123 HydrophobicContact CB-CD1 4.03Å; N104-F123 HydrophobicContact CB-CE1 4.05Å; N104-F123 WeakPolarHBondContact ND2-CE1 3.5Å; F123-C130 VanDerWaalsContact O-CA 3.32Å; F123-C130 WeakPolarHBondContact O-CA 3.41Å; F123-V131 HydrophobicContact CB-CB 4.36Å; F123-V131 WeakPolarHBondContact CD2-O 3.49Å; F123-V131 PolarHBondContact N-O 2.94Å; F123-V131 PolarHBondContact O-N 2.96Å; F123-V131 VanDerWaalsContact O-N 3.07Å
124	K	86.3	Confident	90.6	Very high	57 Å²	57	28 Å²	28	25%	0.248	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131	176.5	-179.8	178	-173.3	148.6	0	111.8	D25 P27 Y102 V103	D25-K124 WeakPolarHBondContact O-CD 3.38Å; D25-K124 WeakPolarHBondContact O-CE 3.23Å; D25-K124 PolarHBondContact O-NZ 2.97Å; P27-K124 HydrophobicContact CB-CB 4.42Å; P27-K124 HydrophobicContact CG-CD 4.05Å; Y102-K124 CarbonylContact C-O 3.54Å; Y102-K124 WeakPolarHBondContact CA-O 3.43Å; Y102-K124 WeakPolarHBondContact CB-O 3.36Å; V103-K124 PolarHBondContact N-O 3.19Å; V103-K124 PolarHBondContact O-N 2.64Å
125	H	84.8	Confident	90.5	Very high	68 Å²	68	27 Å²	27	32%	0.315	14%	0.144	S	C	.	.			trans	-114.8	164.3	164.6	-174.5	-107.2	0	0	0	109.7	G101 Y102 N127 E128	G101-H125 PolarHBondContact O-CD2 2.8Å; Y102-H125 HydrophobicContact CD1-CB 3.51Å; Y102-H125 HydrophobicContact CD2-CB 3.91Å; Y102-H125 HydrophobicContact CE1-CB 3.27Å; Y102-H125 HydrophobicContact CE2-CB 3.72Å; Y102-H125 HydrophobicContact CG-CB 3.82Å; H125-N127 PolarHBondContact O-N 3.31Å; H125-E128 HydrophobicContact CB-CB 4.39Å; H125-E128 IonicContact CE1-OE1 3.59Å; H125-E128 IonicContact CG-OE1 2.72Å; H125-E128 IonicContact CG-OE2 3.44Å; H125-E128 VanDerWaalsContact ND1-CD 3.29Å; H125-E128 IonicContact ND1-OE1 2.82Å; H125-E128 PolarHBondContact ND1-OE1 2.72Å; H125-E128 IonicContact ND1-OE2 3.49Å; H125-E128 PolarHBondContact O-N 3.21Å
126	V	78.4	Confident	90.5	Very high	105 Å²	105	27.7 Å²	27.7	64%	0.636	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	126	-173.7	-178.7	0	0	0	0	110.2	E128	V126-E128 PolarHBondContact O-N 2.88Å
127	N	77.2	Confident	90.5	Very high	160 Å²	160	27.5 Å²	27.5	86%	0.856	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	24.7	178.8	-55.7	-25.8	0	0	0	115.4	H125	H125-N127 PolarHBondContact O-N 3.31Å
128	E	84.5	Confident	90.5	Very high	35 Å²	35	27.5 Å²	27.5	16%	0.164	15%	0.147	C	C	.	.	S	Bend	trans	-120.3	156.6	179	-69.9	176.4	-155.2	0	0	111.8	Y102 H125 V126 M157 W159	Y102-E128 PolarHBondContact OH-OE2 2.81Å; H125-E128 HydrophobicContact CB-CB 4.39Å; H125-E128 IonicContact CE1-OE1 3.59Å; H125-E128 IonicContact CG-OE1 2.72Å; H125-E128 IonicContact CG-OE2 3.44Å; H125-E128 VanDerWaalsContact ND1-CD 3.29Å; H125-E128 IonicContact ND1-OE1 2.82Å; H125-E128 PolarHBondContact ND1-OE1 2.72Å; H125-E128 IonicContact ND1-OE2 3.49Å; H125-E128 PolarHBondContact O-N 3.21Å; V126-E128 PolarHBondContact O-N 2.88Å; E128-M157 HydrophobicContact CB-CE 3.78Å; E128-M157 HydrophobicContact CB-SD 4.4Å; E128-M157 HydrophobicContact CG-CE 3.77Å; E128-W159 HydrophobicContact CG-CZ2 4.29Å
129	L	87.6	Confident	90.6	Very high	55 Å²	55	26.9 Å²	26.9	29%	0.288	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-69.3	151.6	171.5	-57.1	169.7	0	0	0	110.1	K23 V131 P156 M157	K23-L129 HydrophobicContact CB-CD1 4.24Å; K23-L129 HydrophobicContact CB-CD2 4.43Å; K23-L129 HydrophobicContact CD-CD1 4.48Å; L129-V131 PolarHBondContact O-N 2.87Å; L129-P156 HydrophobicContact CB-CB 4.36Å; L129-P156 HydrophobicContact CB-CG 3.75Å; L129-P156 HydrophobicContact CD1-CB 4.14Å; L129-P156 HydrophobicContact CD1-CG 4.41Å; L129-M157 HydrophobicContact CB-SD 3.56Å; L129-M157 VanDerWaalsContact CB-SD 3.56Å; L129-M157 HydrophobicContact CD1-SD 4.21Å; L129-M157 HydrophobicContact CG-SD 4.05Å
130	C	89.4	Confident	90.6	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.041	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-71.1	122.1	-179.1	-67.4	0	0	0	0	111.8	T24 C30 F123 P156	T24-C130 WeakPolarHBondContact O-CB 3.4Å; T24-C130 PolarHBondContact O-N 3.28Å; T24-C130 PolarHBondContact O-SG 3.08Å; T24-C130 VanDerWaalsContact O-SG 3.4Å; C30-C130 HydrophobicContact CB-CB 4.02Å; F123-C130 VanDerWaalsContact O-CA 3.32Å; F123-C130 WeakPolarHBondContact O-CA 3.41Å; C130-P156 WeakPolarHBondContact O-CG 3.49Å
131	V	90.8	Very high	90.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	134.9	163.1	177.8	0	0	0	0	107.6	Y102 C122 F123 L129 V153	Y102-V131 HydrophobicContact CE1-CG2 4.41Å; C122-V131 WeakPolarHBondContact CA-O 3.41Å; F123-V131 HydrophobicContact CB-CB 4.36Å; F123-V131 WeakPolarHBondContact CD2-O 3.49Å; F123-V131 PolarHBondContact N-O 2.94Å; F123-V131 PolarHBondContact O-N 2.96Å; F123-V131 VanDerWaalsContact O-N 3.07Å; L129-V131 PolarHBondContact O-N 2.87Å; V131-V153 HydrophobicContact CG1-CG1 3.92Å
132	S	92	Very high	90.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.2	-176.3	64.7	0	0	0	0	111.6	R34 S121 V153 Y154	R34-S132 PolarHBondContact NE-OG 2.76Å; R34-S132 PolarHBondContact NH2-OG 3.04Å; S121-S132 CarbonylContact O-C 3.54Å; S121-S132 WeakPolarHBondContact O-CA 3.26Å; S132-V153 WeakPolarHBondContact O-CA 3.31Å; S132-Y154 PolarHBondContact N-O 3.02Å; S132-Y154 VanDerWaalsContact N-O 3.13Å; S132-Y154 PolarHBondContact O-N 2.73Å
133	S	92	Very high	90.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.9	176	73.9	0	0	0	0	111.2	S121 R152	S121-S133 WeakPolarHBondContact CB-OG 3.49Å; S121-S133 PolarHBondContact N-O 3.3Å; S121-S133 PolarHBondContact O-N 2.81Å; S121-S133 PolarHBondContact OG-OG 3.16Å; S133-R152 CarbonylContact C-O 3.56Å; S133-R152 VanDerWaalsContact CA-O 3.24Å; S133-R152 WeakPolarHBondContact CA-O 3.46Å
134	G	93.4	Very high	90.6	Very high	16 Å²	16	28.6 Å²	28.6	17%	0.165	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.7	164.7	0	0	0	0	0	110	F151 R152	G134-F151 CarbonylContact O-C 3.59Å; G134-F151 WeakPolarHBondContact O-CA 3.4Å; G134-R152 PolarHBondContact N-O 2.87Å; G134-R152 PolarHBondContact O-N 2.85Å
135	T	94.8	Very high	91	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.5	169.8	-53.9	0	0	0	0	108.9	F72 H118 K119 V137 Q149 T150 F151	F72-T135 HydrophobicContact CE1-CG2 4.12Å; F72-T135 HydrophobicContact CZ-CG2 4.2Å; H118-T135 CarbonylContact C-O 3.5Å; H118-T135 WeakPolarHBondContact CA-O 3.22Å; K119-T135 PolarHBondContact N-O 2.83Å; K119-T135 PolarHBondContact O-N 3.33Å; T135-V137 HydrophobicContact CG2-CG2 4.03Å; T135-Q149 HydrophobicContact CG2-CG 3.98Å; T135-T150 CarbonylContact C-O 3.58Å; T135-T150 VanDerWaalsContact CA-O 3.31Å; T135-T150 WeakPolarHBondContact CA-O 3.49Å; T135-F151 HydrophobicContact CG2-CD1 3.89Å; T135-F151 HydrophobicContact CG2-CE1 3.59Å; T135-F151 HydrophobicContact CG2-CZ 4.17Å; T135-F151 WeakPolarHBondContact OG1-CD1 3.1Å; T135-F151 VanDerWaalsContact OG1-CE1 3.24Å; T135-F151 WeakPolarHBondContact OG1-CE1 3.37Å
136	T	96.7	Very high	91.5	Very high	15 Å²	15	22.7 Å²	22.7	9%	0.092	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135	169.3	-51.2	0	0	0	0	109.8	L116 M117 H118 Q149 T150	L116-T136 HydrophobicContact CB-CG2 4.12Å; L116-T136 HydrophobicContact CD1-CG2 4.28Å; L116-T136 HydrophobicContact CD2-CG2 4.36Å; L116-T136 HydrophobicContact CG-CG2 4.49Å; M117-T136 CarbonylContact O-C 3.49Å; M117-T136 WeakPolarHBondContact O-CA 3.35Å; H118-T136 WeakPolarHBondContact CE1-CG2 3.29Å; H118-T136 WeakPolarHBondContact ND1-CG2 3.36Å; H118-T136 PolarHBondContact ND1-OG1 3.48Å; T136-Q149 CarbonylContact O-C 3.6Å; T136-Q149 WeakPolarHBondContact O-CA 3.06Å; T136-T150 PolarHBondContact N-O 2.83Å; T136-T150 PolarHBondContact O-N 3.36Å
137	V	97.3	Very high	92.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.6	-178.4	-177.2	0	0	0	0	109.6	T63 F72 L94 M117 T135 L147 I148 Q149	T63-V137 HydrophobicContact CG2-CG1 4.06Å; F72-V137 HydrophobicContact CE1-CG2 3.66Å; F72-V137 HydrophobicContact CZ-CB 4.22Å; F72-V137 HydrophobicContact CZ-CG2 3.57Å; L94-V137 HydrophobicContact CD2-CB 4.4Å; L94-V137 HydrophobicContact CD2-CG1 3.61Å; L94-V137 HydrophobicContact CD2-CG2 3.9Å; M117-V137 HydrophobicContact CE-CB 3.88Å; M117-V137 HydrophobicContact CE-CG1 3.86Å; M117-V137 PolarHBondContact N-O 3.22Å; M117-V137 PolarHBondContact O-N 3.35Å; T135-V137 HydrophobicContact CG2-CG2 4.03Å; V137-L147 HydrophobicContact CG1-CD1 3.99Å; V137-I148 VanDerWaalsContact CA-O 3.32Å; V137-I148 WeakPolarHBondContact CA-O 3.06Å; V137-Q149 HydrophobicContact CG2-CB 4.19Å; V137-Q149 HydrophobicContact CG2-CG 3.84Å
138	Y	98	Very high	93.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	139.3	172.2	62.4	-79	0	0	0	112.9	T63 L116 H140 I148 E304 R308 H311	T63-Y138 WeakPolarHBondContact OG1-CA 3.27Å; L116-Y138 VanDerWaalsContact CD2-CB 3.43Å; L116-Y138 HydrophobicContact CD2-CD1 3.6Å; L116-Y138 HydrophobicContact CD2-CD2 4.3Å; L116-Y138 HydrophobicContact CD2-CE1 4.43Å; L116-Y138 HydrophobicContact CD2-CG 3.52Å; Y138-H140 AromaticContact CE2-CD2 3.91Å; Y138-I148 HydrophobicContact CD1-CB 4.15Å; Y138-I148 HydrophobicContact CD1-CG2 4.5Å; Y138-I148 HydrophobicContact CD2-CD1 4.25Å; Y138-I148 HydrophobicContact CE1-CB 3.63Å; Y138-I148 HydrophobicContact CE1-CG1 4.46Å; Y138-I148 HydrophobicContact CE1-CG2 3.65Å; Y138-I148 HydrophobicContact CE2-CB 4.07Å; Y138-I148 HydrophobicContact CE2-CD1 3.76Å; Y138-I148 HydrophobicContact CE2-CG1 4.13Å; Y138-I148 PolarHBondContact N-O 3.48Å; Y138-I148 PolarHBondContact O-N 2.83Å; Y138-E304 WeakPolarHBondContact CE1-OE1 3.25Å; Y138-E304 PolarHBondContact OH-OE1 2.93Å; Y138-E304 VanDerWaalsContact OH-OE1 3.09Å; Y138-R308 HydrophobicContact CE1-CB 4.49Å; Y138-R308 HydrophobicContact CE1-CG 4.4Å; Y138-R308 PolarHBondContact OH-N 2.8Å; Y138-H311 HydrophobicContact CD2-CB 4.01Å; Y138-H311 AromaticContact CD2-CD2 3.81Å; Y138-H311 AromaticContact CD2-CE1 3.84Å; Y138-H311 AromaticContact CD2-CG 3.55Å; Y138-H311 AromaticContact CD2-ND1 3.59Å; Y138-H311 AromaticContact CD2-NE2 3.99Å; Y138-H311 HydrophobicContact CE2-CB 3.88Å; Y138-H311 AromaticContact CE2-CG 3.96Å
139	A	97.2	Very high	93.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.5	165.3	0	0	0	0	0	108.2	T63 N65 L68 R141 L147 H311	T63-A139 PolarHBondContact OG1-N 3.34Å; T63-A139 VanDerWaalsContact OG1-N 3.16Å; N65-A139 HydrophobicContact CB-CB 4.03Å; L68-A139 HydrophobicContact CD1-CB 3.58Å; L68-A139 HydrophobicContact CG-CB 4.49Å; A139-R141 PolarHBondContact O-N 3.34Å; A139-L147 HydrophobicContact CB-CD1 4.34Å; A139-H311 PolarHBondContact O-CE1 2.82Å; A139-H311 PolarHBondContact O-ND1 3.37Å
140	H	95.8	Very high	94.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.			trans	-62.1	131.5	-173.2	-161.9	-82.1	0	0	0	110.7	N65 Y138 R142 Y143 L146 I148 L307	N65-H140 WeakPolarHBondContact CB-O 3.19Å; N65-H140 PolarHBondContact ND2-O 2.94Å; Y138-H140 AromaticContact CE2-CD2 3.91Å; H140-R142 VanDerWaalsContact C-N 3.35Å; H140-R142 PolarHBondContact ND1-N 3.3Å; H140-R142 PolarHBondContact O-N 3Å; H140-Y143 AromaticContact CD2-CD2 3.93Å; H140-Y143 AromaticContact CE1-CD2 3.18Å; H140-Y143 WeakPolarHBondContact CE1-CD2 3.03Å; H140-Y143 AromaticContact CE1-CE2 3.54Å; H140-Y143 AromaticContact CG-CD2 3.68Å; H140-Y143 AromaticContact ND1-CD2 3.17Å; H140-Y143 WeakPolarHBondContact ND1-CD2 3.13Å; H140-Y143 AromaticContact ND1-CE2 4Å; H140-Y143 AromaticContact ND1-CG 3.74Å; H140-Y143 PolarHBondContact ND1-N 3.48Å; H140-Y143 VanDerWaalsContact ND1-N 3.16Å; H140-Y143 AromaticContact NE2-CD2 3.67Å; H140-Y143 AromaticContact NE2-CE2 3.97Å; H140-L146 HydrophobicContact CB-CB 3.97Å; H140-L146 PolarHBondContact N-O 3.17Å; H140-I148 HydrophobicContact CB-CD1 3.8Å; H140-L307 PolarHBondContact NE2-O 2.69Å; H140-L307 VanDerWaalsContact NE2-O 3.1Å
141	R	93.3	Very high	94.3	Very high	5 Å²	5	6.3 Å²	6.3	2%	0.019	4%	0.035	C	C	.	.	S	Bend	trans	-71.6	-33.8	-168.9	-174.6	67.8	-168.5	-167.6	35.9	112.1	A139 H311 A314 W315 A347 T350 V420	A139-R141 PolarHBondContact O-N 3.34Å; R141-H311 PolarHBondContact N-ND1 3.04Å; R141-H311 VanDerWaalsContact N-ND1 3.19Å; R141-A314 HydrophobicContact CB-CB 3.9Å; R141-A314 HydrophobicContact CG-CB 3.71Å; R141-W315 VanDerWaalsContact NH1-CZ2 3.28Å; R141-A347 PolarHBondContact NH1-O 2.85Å; R141-A347 PolarHBondContact NH2-O 3.44Å; R141-T350 PolarHBondContact NH2-O 3.28Å; R141-V420 VanDerWaalsContact NH2-CG1 3.29Å
142	R	88.5	Confident	94.3	Very high	35 Å²	35	12.2 Å²	12.2	13%	0.132	6%	0.057	C	C	.	.	S	Bend	trans	-104.1	-16.3	-176.2	-64.2	178.6	173	-146	3.3	115.1	H140 P144 E310 A314 Y517 I518	H140-R142 VanDerWaalsContact C-N 3.35Å; H140-R142 PolarHBondContact ND1-N 3.3Å; H140-R142 PolarHBondContact O-N 3Å; R142-P144 WeakPolarHBondContact O-CD 3.3Å; R142-E310 WeakPolarHBondContact CD-OE1 3.32Å; R142-E310 IonicContact CZ-OE1 3.79Å; R142-E310 IonicContact NE-OE1 3.82Å; R142-E310 IonicContact NH1-OE1 2.77Å; R142-E310 PolarHBondContact NH1-OE1 2.95Å; R142-A314 HydrophobicContact CG-CB 4.09Å; R142-Y517 PolarHBondContact NH1-O 2.76Å; R142-I518 VanDerWaalsContact NH1-CA 3.28Å; R142-I518 PolarHBondContact NH2-O 2.87Å
143	Y	91.7	Very high	94.3	Very high	16 Å²	16	12.3 Å²	12.3	6%	0.063	6%	0.058	C	C	.	.			trans	-111.9	95.5	178.7	-65.3	-60.1	0	0	0	106.4	H140 S145 L146 E295 F298 L307 E310	H140-Y143 AromaticContact CD2-CD2 3.93Å; H140-Y143 AromaticContact CE1-CD2 3.18Å; H140-Y143 WeakPolarHBondContact CE1-CD2 3.03Å; H140-Y143 AromaticContact CE1-CE2 3.54Å; H140-Y143 AromaticContact CG-CD2 3.68Å; H140-Y143 AromaticContact ND1-CD2 3.17Å; H140-Y143 WeakPolarHBondContact ND1-CD2 3.13Å; H140-Y143 AromaticContact ND1-CE2 4Å; H140-Y143 AromaticContact ND1-CG 3.74Å; H140-Y143 PolarHBondContact ND1-N 3.48Å; H140-Y143 VanDerWaalsContact ND1-N 3.16Å; H140-Y143 AromaticContact NE2-CD2 3.67Å; H140-Y143 AromaticContact NE2-CE2 3.97Å; Y143-S145 PolarHBondContact O-N 3.48Å; Y143-S145 VanDerWaalsContact O-N 3.08Å; Y143-L146 HydrophobicContact CD2-CD1 3.95Å; Y143-L146 HydrophobicContact CG-CD1 3.85Å; Y143-L146 PolarHBondContact O-N 3.05Å; Y143-L146 VanDerWaalsContact O-N 3.13Å; Y143-E295 HydrophobicContact CD1-CB 4.49Å; Y143-E295 HydrophobicContact CD1-CG 4.13Å; Y143-F298 HydrophobicContact CE1-CD1 4.26Å; Y143-F298 HydrophobicContact CE1-CE1 4.44Å; Y143-F298 HydrophobicContact CE2-CD1 4.22Å; Y143-F298 HydrophobicContact CE2-CE1 4.03Å; Y143-F298 AromaticContact CZ-CD1 3.76Å; Y143-F298 AromaticContact CZ-CE1 3.58Å; Y143-F298 WeakPolarHBondContact OH-CE1 3.47Å; Y143-F298 WeakPolarHBondContact OH-CZ 3.4Å; Y143-L307 HydrophobicContact CE2-CD2 4.27Å; Y143-E310 PolarHBondContact OH-OE2 3.41Å
144	P	92.8	Very high	94.3	Very high	21 Å²	21	13 Å²	13	14%	0.136	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.7	-168.6	-28.1	36.4	0	0	0	113.9	N65 F67 L68 R142 R258	N65-P144 WeakPolarHBondContact ND2-CA 3.49Å; N65-P144 PolarHBondContact ND2-O 3.39Å; F67-P144 HydrophobicContact CB-CB 4.32Å; F67-P144 HydrophobicContact CD1-CB 4.4Å; F67-P144 HydrophobicContact CD2-CB 3.43Å; F67-P144 VanDerWaalsContact CD2-CB 3.43Å; F67-P144 HydrophobicContact CD2-CG 4.04Å; F67-P144 HydrophobicContact CE2-CB 3.63Å; F67-P144 HydrophobicContact CE2-CG 3.73Å; F67-P144 HydrophobicContact CG-CB 3.81Å; F67-P144 HydrophobicContact CZ-CB 4.23Å; F67-P144 HydrophobicContact CZ-CG 4.26Å; L68-P144 WeakPolarHBondContact CD2-O 3.28Å; R142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-R258 VanDerWaalsContact CB-NH2 3.32Å; P144-R258 VanDerWaalsContact CG-NH2 3.35Å
145	S	95.4	Very high	94.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.4	-177.2	-35.8	0	0	0	0	113.7	L68 Y143 G256 I257 R258 E295	L68-S145 WeakPolarHBondContact CD2-O 3.33Å; Y143-S145 PolarHBondContact O-N 3.48Å; Y143-S145 VanDerWaalsContact O-N 3.08Å; S145-G256 CarbonylContact O-C 3.48Å; S145-G256 VanDerWaalsContact O-CA 3.29Å; S145-G256 WeakPolarHBondContact O-CA 3.28Å; S145-I257 VanDerWaalsContact CA-O 3.3Å; S145-I257 WeakPolarHBondContact CA-O 3.45Å; S145-I257 PolarHBondContact O-N 3.43Å; S145-R258 WeakPolarHBondContact OG-CD 3.44Å; S145-R258 VanDerWaalsContact OG-CG 3.24Å; S145-R258 WeakPolarHBondContact OG-CG 3.46Å; S145-R258 PolarHBondContact OG-NE 2.91Å; S145-E295 WeakPolarHBondContact CB-OE2 3.44Å; S145-E295 PolarHBondContact N-OE2 3.08Å; S145-E295 PolarHBondContact OG-OE1 3.08Å; S145-E295 PolarHBondContact OG-OE2 3.35Å
146	L	96	Very high	94	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.1	-160.2	-57	-176.6	0	0	0	112.5	H140 Y143 I148 I254 E295 L296 A299	H140-L146 HydrophobicContact CB-CB 3.97Å; H140-L146 PolarHBondContact N-O 3.17Å; Y143-L146 HydrophobicContact CD2-CD1 3.95Å; Y143-L146 HydrophobicContact CG-CD1 3.85Å; Y143-L146 PolarHBondContact O-N 3.05Å; Y143-L146 VanDerWaalsContact O-N 3.13Å; L146-I148 HydrophobicContact CB-CD1 3.78Å; L146-I254 HydrophobicContact CD2-CG2 4.03Å; L146-E295 HydrophobicContact CD1-CB 4.45Å; L146-E295 HydrophobicContact CD2-CB 4.27Å; L146-E295 HydrophobicContact CG-CB 4.31Å; L146-L296 HydrophobicContact CD2-CB 4.41Å; L146-L296 HydrophobicContact CD2-CD1 4.41Å; L146-A299 HydrophobicContact CD1-CB 3.57Å
147	L	96.6	Very high	93.7	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.1	164.7	-179	62.9	0	0	0	108.4	L68 V137 A139 T255	L68-L147 HydrophobicContact CD1-CB 3.96Å; L68-L147 HydrophobicContact CD1-CD1 4.11Å; L68-L147 HydrophobicContact CD1-CG 4.47Å; V137-L147 HydrophobicContact CG1-CD1 3.99Å; A139-L147 HydrophobicContact CB-CD1 4.34Å; L147-T255 PolarHBondContact N-O 2.82Å; L147-T255 PolarHBondContact O-N 3.01Å
148	I	96.1	Very high	93.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132	-177	-58.3	80.8	0	0	0	108.7	V137 Y138 H140 L146 T252 F253 I254 E304	V137-I148 VanDerWaalsContact CA-O 3.32Å; V137-I148 WeakPolarHBondContact CA-O 3.06Å; Y138-I148 HydrophobicContact CD1-CB 4.15Å; Y138-I148 HydrophobicContact CD1-CG2 4.5Å; Y138-I148 HydrophobicContact CD2-CD1 4.25Å; Y138-I148 HydrophobicContact CE1-CB 3.63Å; Y138-I148 HydrophobicContact CE1-CG1 4.46Å; Y138-I148 HydrophobicContact CE1-CG2 3.65Å; Y138-I148 HydrophobicContact CE2-CB 4.07Å; Y138-I148 HydrophobicContact CE2-CD1 3.76Å; Y138-I148 HydrophobicContact CE2-CG1 4.13Å; Y138-I148 PolarHBondContact N-O 3.48Å; Y138-I148 PolarHBondContact O-N 2.83Å; H140-I148 HydrophobicContact CB-CD1 3.8Å; L146-I148 HydrophobicContact CB-CD1 3.78Å; I148-T252 HydrophobicContact CG2-CG2 4.07Å; I148-F253 WeakPolarHBondContact CA-O 3.42Å; I148-I254 HydrophobicContact CG1-CG1 4.4Å; I148-I254 HydrophobicContact CG1-CG2 4.39Å; I148-E304 HydrophobicContact CG2-CG 4.27Å
149	Q	95.2	Very high	92.9	Very high	9 Å²	9	24.9 Å²	24.9	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.1	172.3	178.2	169.7	25.2	0	0	109.4	I95 T135 T136 V137 F151 F253	I95-Q149 PolarHBondContact O-NE2 2.84Å; T135-Q149 HydrophobicContact CG2-CG 3.98Å; T136-Q149 CarbonylContact O-C 3.6Å; T136-Q149 WeakPolarHBondContact O-CA 3.06Å; V137-Q149 HydrophobicContact CG2-CB 4.19Å; V137-Q149 HydrophobicContact CG2-CG 3.84Å; Q149-F151 VanDerWaalsContact CD-CZ 3.4Å; Q149-F151 HydrophobicContact CG-CD2 4.27Å; Q149-F151 HydrophobicContact CG-CE2 3.59Å; Q149-F151 HydrophobicContact CG-CZ 3.78Å; Q149-F253 HydrophobicContact CB-CB 4.38Å; Q149-F253 PolarHBondContact N-O 2.99Å; Q149-F253 PolarHBondContact O-N 2.89Å
150	T	94.4	Very high	92.6	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.8	177.7	-50.5	0	0	0	0	109.6	T135 T136 Y251 E304 R308	T135-T150 CarbonylContact C-O 3.58Å; T135-T150 VanDerWaalsContact CA-O 3.31Å; T135-T150 WeakPolarHBondContact CA-O 3.49Å; T136-T150 PolarHBondContact N-O 2.83Å; T136-T150 PolarHBondContact O-N 3.36Å; T150-Y251 CarbonylContact C-O 3.52Å; T150-Y251 WeakPolarHBondContact CA-O 3.37Å; T150-E304 PolarHBondContact OG1-OE1 2.73Å; T150-R308 PolarHBondContact OG1-NH2 2.93Å; T150-R308 VanDerWaalsContact OG1-NH2 3.16Å
151	F	92.4	Very high	92.1	Very high	2 Å²	2	30 Å²	30	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.4	171.1	-61	-89.3	0	0	0	109.4	I95 L97 G134 T135 Q149 S250 Y251 F253	I95-F151 HydrophobicContact CB-CE2 4.01Å; I95-F151 HydrophobicContact CB-CZ 3.7Å; I95-F151 HydrophobicContact CG2-CE2 4.01Å; I95-F151 HydrophobicContact CG2-CZ 3.71Å; I95-F151 WeakPolarHBondContact O-CZ 3.47Å; L97-F151 HydrophobicContact CD1-CB 4.08Å; L97-F151 HydrophobicContact CD1-CD1 3.31Å; L97-F151 HydrophobicContact CD1-CE1 3.94Å; L97-F151 HydrophobicContact CD1-CG 3.92Å; L97-F151 HydrophobicContact CD2-CD1 4.15Å; L97-F151 HydrophobicContact CD2-CE1 4.16Å; L97-F151 HydrophobicContact CG-CD1 3.53Å; L97-F151 HydrophobicContact CG-CE1 3.6Å; L97-F151 HydrophobicContact CG-CG 4.3Å; L97-F151 HydrophobicContact CG-CZ 4.39Å; G134-F151 CarbonylContact O-C 3.59Å; G134-F151 WeakPolarHBondContact O-CA 3.4Å; T135-F151 HydrophobicContact CG2-CD1 3.89Å; T135-F151 HydrophobicContact CG2-CE1 3.59Å; T135-F151 HydrophobicContact CG2-CZ 4.17Å; T135-F151 WeakPolarHBondContact OG1-CD1 3.1Å; T135-F151 VanDerWaalsContact OG1-CE1 3.24Å; T135-F151 WeakPolarHBondContact OG1-CE1 3.37Å; Q149-F151 VanDerWaalsContact CD-CZ 3.4Å; Q149-F151 HydrophobicContact CG-CD2 4.27Å; Q149-F151 HydrophobicContact CG-CE2 3.59Å; Q149-F151 HydrophobicContact CG-CZ 3.78Å; F151-S250 CarbonylContact O-C 3.56Å; F151-S250 WeakPolarHBondContact O-CA 3.41Å; F151-Y251 PolarHBondContact N-O 2.78Å; F151-Y251 PolarHBondContact O-N 3.22Å; F151-F253 AromaticContact CD2-CD2 3.56Å; F151-F253 HydrophobicContact CD2-CD2 3.56Å; F151-F253 AromaticContact CD2-CE2 3.31Å; F151-F253 HydrophobicContact CD2-CE2 3.31Å; F151-F253 HydrophobicContact CD2-CZ 4.32Å; F151-F253 AromaticContact CE2-CD2 3.56Å; F151-F253 HydrophobicContact CE2-CD2 3.56Å; F151-F253 AromaticContact CE2-CE2 3.48Å; F151-F253 HydrophobicContact CE2-CE2 3.48Å; F151-F253 VanDerWaalsContact CE2-CE2 3.48Å; F151-F253 HydrophobicContact CE2-CG 4.43Å; F151-F253 HydrophobicContact CE2-CZ 4.23Å
152	R	92.2	Very high	91.8	Very high	126 Å²	126	33.4 Å²	33.4	48%	0.475	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112.9	167.2	-62.2	-164.9	167.4	135.8	1.5	108	S133 G134 Q249 S250	S133-R152 CarbonylContact C-O 3.56Å; S133-R152 VanDerWaalsContact CA-O 3.24Å; S133-R152 WeakPolarHBondContact CA-O 3.46Å; G134-R152 PolarHBondContact N-O 2.87Å; G134-R152 PolarHBondContact O-N 2.85Å; R152-Q249 CarbonylContact C-O 3.59Å; R152-Q249 WeakPolarHBondContact CA-O 3.35Å; R152-S250 WeakPolarHBondContact CG-OG 3.28Å
153	V	91.5	Very high	91.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.2	179.5	-171.9	0	0	0	0	108.8	L97 V131 S132 V163 V243 T248 Q249	L97-V153 HydrophobicContact CD1-CG2 3.72Å; V131-V153 HydrophobicContact CG1-CG1 3.92Å; S132-V153 WeakPolarHBondContact O-CA 3.31Å; V153-V163 HydrophobicContact CG1-CG2 4.07Å; V153-V243 HydrophobicContact CB-CG2 4.11Å; V153-V243 HydrophobicContact CG1-CG1 4.37Å; V153-V243 HydrophobicContact CG1-CG2 3.98Å; V153-T248 CarbonylContact O-C 3.47Å; V153-T248 VanDerWaalsContact O-CA 3.3Å; V153-T248 WeakPolarHBondContact O-CA 3.2Å; V153-Q249 PolarHBondContact N-O 3.48Å; V153-Q249 PolarHBondContact O-N 2.96Å
154	Y	91.8	Very high	91.5	Very high	17 Å²	17	35.6 Å²	35.6	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.5	174.4	172	-115	0	0	0	109.9	S132 P156 S247 T248	S132-Y154 PolarHBondContact N-O 3.02Å; S132-Y154 VanDerWaalsContact N-O 3.13Å; S132-Y154 PolarHBondContact O-N 2.73Å; Y154-P156 HydrophobicContact CD1-CB 4.41Å; Y154-P156 HydrophobicContact CE1-CB 3.67Å; Y154-P156 HydrophobicContact CE1-CG 4.32Å; Y154-P156 WeakPolarHBondContact O-CD 3.3Å; Y154-S247 WeakPolarHBondContact CD2-O 3.28Å; Y154-T248 VanDerWaalsContact CD2-OG1 3.23Å; Y154-T248 WeakPolarHBondContact CD2-OG1 3.17Å
155	N	91.5	Very high	91.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.			trans	-104.6	105.3	174.7	179.5	13.5	0	0	0	109.2	M157 W159 N161 V243 G246 S247	N155-M157 VanDerWaalsContact C-N 3.28Å; N155-M157 PolarHBondContact O-N 2.79Å; N155-M157 VanDerWaalsContact OD1-CB 3.29Å; N155-M157 WeakPolarHBondContact OD1-CB 3.33Å; N155-M157 WeakPolarHBondContact OD1-CG 3.4Å; N155-M157 PolarHBondContact OD1-N 3.41Å; N155-M157 VanDerWaalsContact OD1-N 3.11Å; N155-W159 PolarHBondContact ND2-O 2.9Å; N155-N161 PolarHBondContact ND2-N 3.3Å; N155-V243 HydrophobicContact CB-CB 4.29Å; N155-V243 HydrophobicContact CB-CG1 3.67Å; N155-V243 PolarHBondContact ND2-O 2.91Å; N155-V243 VanDerWaalsContact ND2-O 3.08Å; N155-G246 CarbonylContact O-C 3.48Å; N155-G246 WeakPolarHBondContact O-CA 3.35Å; N155-G246 PolarHBondContact O-N 2.88Å; N155-S247 PolarHBondContact N-O 3.44Å; N155-S247 PolarHBondContact O-N 2.82Å
156	P	90.8	Very high	90.8	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.032	19%	0.191	C	C	.	.			trans	-79.3	-7.4	178.4	32.3	-36.1	0	0	0	114.2	K23 L129 C130 Y154	K23-P156 HydrophobicContact CG-CB 4.13Å; L129-P156 HydrophobicContact CB-CB 4.36Å; L129-P156 HydrophobicContact CB-CG 3.75Å; L129-P156 HydrophobicContact CD1-CB 4.14Å; L129-P156 HydrophobicContact CD1-CG 4.41Å; C130-P156 WeakPolarHBondContact O-CG 3.49Å; Y154-P156 HydrophobicContact CD1-CB 4.41Å; Y154-P156 HydrophobicContact CE1-CB 3.67Å; Y154-P156 HydrophobicContact CE1-CG 4.32Å; Y154-P156 WeakPolarHBondContact O-CD 3.3Å
157	M	88.6	Confident	90.1	Very high	12 Å²	12	42 Å²	42	6%	0.059	20%	0.2	C	C	.	.	S	Bend	trans	-75.5	162.3	-174.6	-53.1	-57.1	-75.5	0	0	111.7	E128 L129 N155 W159 S245 G246	E128-M157 HydrophobicContact CB-CE 3.78Å; E128-M157 HydrophobicContact CB-SD 4.4Å; E128-M157 HydrophobicContact CG-CE 3.77Å; L129-M157 HydrophobicContact CB-SD 3.56Å; L129-M157 VanDerWaalsContact CB-SD 3.56Å; L129-M157 HydrophobicContact CD1-SD 4.21Å; L129-M157 HydrophobicContact CG-SD 4.05Å; N155-M157 VanDerWaalsContact C-N 3.28Å; N155-M157 PolarHBondContact O-N 2.79Å; N155-M157 VanDerWaalsContact OD1-CB 3.29Å; N155-M157 WeakPolarHBondContact OD1-CB 3.33Å; N155-M157 WeakPolarHBondContact OD1-CG 3.4Å; N155-M157 PolarHBondContact OD1-N 3.41Å; N155-M157 VanDerWaalsContact OD1-N 3.11Å; M157-W159 HydrophobicContact CB-CD2 4.02Å; M157-W159 HydrophobicContact CB-CE3 4.25Å; M157-W159 HydrophobicContact CB-CG 4.48Å; M157-W159 HydrophobicContact CB-CZ2 4.5Å; M157-W159 HydrophobicContact CE-CE3 4.37Å; M157-W159 HydrophobicContact CE-CH2 3.01Å; M157-W159 HydrophobicContact CE-CZ2 3.16Å; M157-W159 HydrophobicContact CE-CZ3 3.65Å; M157-W159 HydrophobicContact CG-CZ2 4.45Å; M157-W159 PolarHBondContact O-N 3.3Å; M157-S245 CarbonylContact O-C 3.55Å; M157-S245 WeakPolarHBondContact O-CA 3.38Å; M157-S245 PolarHBondContact O-OG 3.05Å; M157-G246 PolarHBondContact O-N 2.78Å
158	D	89.7	Confident	89.4	Confident	143 Å²	143	43.5 Å²	43.5	77%	0.765	22%	0.217	S	C	*	.	S	Bend	trans	-83.2	8.3	175.6	-63.1	-35.9	0	0	0	113.3	S245	D158-S245 WeakPolarHBondContact CA-OG 3.44Å; D158-S245 PolarHBondContact O-OG 3.23Å
159	W	90.1	Very high	88.9	Confident	124 Å²	124	47.2 Å²	47.2	47%	0.47	24%	0.237	S	C	.	.	S	Bend	trans	-138.4	160	177.3	62.3	88.4	0	0	0	111.6	E128 N155 M157 S245	E128-W159 HydrophobicContact CG-CZ2 4.29Å; N155-W159 PolarHBondContact ND2-O 2.9Å; M157-W159 HydrophobicContact CB-CD2 4.02Å; M157-W159 HydrophobicContact CB-CE3 4.25Å; M157-W159 HydrophobicContact CB-CG 4.48Å; M157-W159 HydrophobicContact CB-CZ2 4.5Å; M157-W159 HydrophobicContact CE-CE3 4.37Å; M157-W159 HydrophobicContact CE-CH2 3.01Å; M157-W159 HydrophobicContact CE-CZ2 3.16Å; M157-W159 HydrophobicContact CE-CZ3 3.65Å; M157-W159 HydrophobicContact CG-CZ2 4.45Å; M157-W159 PolarHBondContact O-N 3.3Å; W159-S245 PolarHBondContact N-OG 2.98Å
160	D	89.9	Confident	88.5	Confident	91 Å²	91	46.8 Å²	46.8	49%	0.487	24%	0.235	S	C	.	.			trans	-71.7	138	180	-63.2	-9.5	0	0	0	111	V243 L244 S245	D160-V243 WeakPolarHBondContact CA-O 3.04Å; D160-L244 VanDerWaalsContact OD1-CA 3.28Å; D160-L244 WeakPolarHBondContact OD1-CA 3.41Å; D160-S245 PolarHBondContact OD1-N 3.23Å
161	N	86.5	Confident	88.2	Confident	16 Å²	16	54.7 Å²	54.7	9%	0.086	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.3	178.6	-154.2	-15.4	0	0	0	111.1	Y102 N155 V243	Y102-N161 PolarHBondContact OH-ND2 2.7Å; Y102-N161 VanDerWaalsContact OH-ND2 3.09Å; N155-N161 PolarHBondContact ND2-N 3.3Å; N161-V243 PolarHBondContact N-O 2.86Å; N161-V243 PolarHBondContact O-N 3.17Å
162	T	86.6	Confident	88	Confident	76 Å²	76	60.6 Å²	60.6	47%	0.466	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117	179	52.5	0	0	0	0	110.4	L241 T242	T162-L241 CarbonylContact C-O 3.55Å; T162-L241 WeakPolarHBondContact CA-O 3.42Å; T162-T242 HydrophobicContact CG2-CG2 3.94Å
163	V	86.2	Confident	87.9	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.7	174	-175.9	0	0	0	0	108.5	L97 V99 V153 N240 L241 V243	L97-V163 HydrophobicContact CB-CG1 3.98Å; L97-V163 HydrophobicContact CD1-CG1 4.27Å; L97-V163 HydrophobicContact CD2-CG1 3.92Å; L97-V163 HydrophobicContact CG-CG1 4.26Å; V99-V163 HydrophobicContact CG2-CG1 4.35Å; V99-V163 HydrophobicContact CG2-CG2 4.35Å; V153-V163 HydrophobicContact CG1-CG2 4.07Å; V163-N240 WeakPolarHBondContact O-CA 3.38Å; V163-L241 PolarHBondContact N-O 2.72Å; V163-L241 PolarHBondContact O-N 3.13Å; V163-V243 HydrophobicContact CG2-CG2 3.8Å
164	K	88	Confident	87.7	Confident	94 Å²	94	59.9 Å²	59.9	41%	0.409	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.7	172.8	-173.5	179.3	178.1	-174.2	0	109.3	D98	D98-K164 PolarHBondContact N-O 3.09Å; D98-K164 WeakPolarHBondContact O-CA 3.36Å; D98-K164 WeakPolarHBondContact O-CB 3.47Å; D98-K164 PolarHBondContact O-N 2.84Å; D98-K164 VanDerWaalsContact O-O 3.05Å
165	I	86.2	Confident	87.7	Confident	16 Å²	16	62 Å²	62	8%	0.082	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.8	170.8	-61.3	178.2	0	0	0	107.4	I95 L97 P238 E239 L241 F253	I95-I165 HydrophobicContact CG2-CG2 3.31Å; L97-I165 HydrophobicContact CD2-CG1 3.97Å; I165-P238 WeakPolarHBondContact CD1-O 3.13Å; I165-E239 PolarHBondContact N-O 2.85Å; I165-L241 HydrophobicContact CD1-CD1 3.36Å; I165-L241 HydrophobicContact CD1-CD2 4.35Å; I165-L241 HydrophobicContact CD1-CG 3.56Å; I165-L241 HydrophobicContact CG1-CD1 4.1Å; I165-L241 HydrophobicContact CG1-CG 4.25Å; I165-F253 HydrophobicContact CD1-CZ 4.23Å
166	D	85.7	Confident	87.8	Confident	92 Å²	92	64.3 Å²	64.3	49%	0.492	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.7	168.6	-175.2	28	0	0	0	110.4	T96	T96-D166 PolarHBondContact N-O 2.89Å; T96-D166 PolarHBondContact O-N 3.47Å; T96-D166 PolarHBondContact OG1-O 3.42Å
167	K	81.8	Confident	87.9	Confident	47 Å²	47	67.3 Å²	67.3	20%	0.204	35%	0.346	C	S	.	.			trans	-141.3	136.6	178.4	-168.7	-176.5	-160.2	176.4	0	109.3	I95 E234	I95-K167 HydrophobicContact CD1-CD 3.91Å; I95-K167 HydrophobicContact CG1-CB 4.14Å; I95-K167 HydrophobicContact CG1-CD 3.55Å; I95-K167 VanDerWaalsContact CG1-CE 3.5Å; I95-K167 HydrophobicContact CG1-CG 3.73Å; K167-E234 WeakPolarHBondContact CD-OE1 3.46Å; K167-E234 VanDerWaalsContact CE-CD 3.46Å; K167-E234 WeakPolarHBondContact CE-OE1 3.27Å; K167-E234 IonicContact NZ-OE1 3.17Å; K167-E234 PolarHBondContact NZ-OE1 3.22Å; K167-E234 IonicContact NZ-OE2 3.67Å
168	G	81.4	Confident	88.1	Confident	36 Å²	36	68.3 Å²	68.3	37%	0.371	36%	0.355	S	S	.	.			trans	-58.4	143.1	172.9	0	0	0	0	0	112	P92	P92-G168 WeakPolarHBondContact CG-O 3.48Å
169	N	86.2	Confident	88.4	Confident	78 Å²	78	63.5 Å²	63.5	42%	0.417	33%	0.329	S	S	.	.			trans	-84	126.7	179.4	-169.7	-24	0	0	0	110.9	R171 N172	N169-R171 PolarHBondContact O-N 3.2Å; N169-R171 VanDerWaalsContact O-N 3.14Å; N169-R171 WeakPolarHBondContact OD1-CB 3.32Å; N169-R171 WeakPolarHBondContact OD1-CG 3.49Å; N169-R171 PolarHBondContact OD1-N 2.95Å; N169-N172 WeakPolarHBondContact O-CB 3.49Å; N169-N172 PolarHBondContact O-N 2.9Å
170	L	86.8	Confident	88.6	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.1	-26.1	173.8	-76.2	177.2	0	0	0	113.4	I91 N172 W173 L179 Q201 A203 E234	I91-L170 HydrophobicContact CG2-CD2 3.83Å; L170-N172 PolarHBondContact O-N 3.24Å; L170-W173 WeakPolarHBondContact O-CB 3.26Å; L170-W173 PolarHBondContact O-N 2.77Å; L170-L179 HydrophobicContact CD1-CD1 4.34Å; L170-Q201 HydrophobicContact CD1-CB 4.2Å; L170-A203 HydrophobicContact CD1-CB 4.04Å; L170-E234 HydrophobicContact CD1-CB 3.97Å; L170-E234 WeakPolarHBondContact CD1-OE2 3.46Å; L170-E234 VanDerWaalsContact CD2-OE2 3.32Å; L170-E234 WeakPolarHBondContact CD2-OE2 3.37Å; L170-E234 WeakPolarHBondContact CG-OE2 3.46Å
171	R	88.6	Confident	88.9	Confident	168 Å²	168	63.3 Å²	63.3	63%	0.634	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-64	-19.5	174.5	-66.1	-179.2	178	-91.9	0.9	113.4	N169 L179	N169-R171 PolarHBondContact O-N 3.2Å; N169-R171 VanDerWaalsContact O-N 3.14Å; N169-R171 WeakPolarHBondContact OD1-CB 3.32Å; N169-R171 WeakPolarHBondContact OD1-CG 3.49Å; N169-R171 PolarHBondContact OD1-N 2.95Å; R171-L179 HydrophobicContact CG-CD2 3.92Å
172	N	88.1	Confident	89.3	Confident	125 Å²	125	64.7 Å²	64.7	67%	0.668	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-82	-5.6	175.3	-61.3	-7.7	0	0	0	112.1	N169 L170 T174	N169-N172 WeakPolarHBondContact O-CB 3.49Å; N169-N172 PolarHBondContact O-N 2.9Å; L170-N172 PolarHBondContact O-N 3.24Å; N172-T174 PolarHBondContact O-N 3.42Å
173	W	89.4	Confident	89.6	Confident	5 Å²	5	69.2 Å²	69.2	2%	0.019	34%	0.34	C	S	.	.			trans	-71.4	109.9	175.4	179.2	23.2	0	0	0	110.3	I91 L170 E175 L176 A203 V230 V232	I91-W173 HydrophobicContact CD1-CD2 4.25Å; I91-W173 HydrophobicContact CD1-CE3 4.4Å; I91-W173 HydrophobicContact CD1-CH2 3.94Å; I91-W173 HydrophobicContact CD1-CZ2 3.77Å; I91-W173 HydrophobicContact CD1-CZ3 4.27Å; I91-W173 HydrophobicContact CG1-CD2 3.75Å; I91-W173 HydrophobicContact CG1-CE3 4.18Å; I91-W173 HydrophobicContact CG1-CG 4.05Å; I91-W173 HydrophobicContact CG1-CZ2 4.13Å; L170-W173 WeakPolarHBondContact O-CB 3.26Å; L170-W173 PolarHBondContact O-N 2.77Å; W173-E175 VanDerWaalsContact C-N 3.26Å; W173-E175 HydrophobicContact CZ2-CB 4.27Å; W173-E175 PolarHBondContact NE1-OE2 2.7Å; W173-E175 PolarHBondContact O-N 2.75Å; W173-L176 HydrophobicContact CB-CB 4.26Å; W173-L176 HydrophobicContact CD2-CB 4.23Å; W173-L176 HydrophobicContact CE3-CB 4.07Å; W173-L176 HydrophobicContact CE3-CD1 3.66Å; W173-L176 HydrophobicContact CE3-CG 4.49Å; W173-L176 HydrophobicContact CG-CB 4.37Å; W173-L176 HydrophobicContact CZ3-CD1 3.99Å; W173-L176 WeakPolarHBondContact O-CB 3.37Å; W173-L176 PolarHBondContact O-N 2.94Å; W173-L176 VanDerWaalsContact O-N 3.1Å; W173-A203 HydrophobicContact CE3-CB 4.41Å; W173-A203 HydrophobicContact CZ3-CB 4.1Å; W173-V230 HydrophobicContact CH2-CB 3.97Å; W173-V230 HydrophobicContact CH2-CG1 4.06Å; W173-V230 HydrophobicContact CZ2-CB 4.2Å; W173-V230 HydrophobicContact CZ2-CG1 4.41Å; W173-V232 HydrophobicContact CZ3-CG2 4.47Å
174	T	89.1	Confident	89.9	Confident	109 Å²	109	70.3 Å²	70.3	67%	0.669	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.9	-174.3	38.9	0	0	0	0	114.5	N172 L176	N172-T174 PolarHBondContact O-N 3.42Å; T174-L176 VanDerWaalsContact C-N 3.35Å
175	E	91.2	Very high	89.9	Confident	61 Å²	61	70.3 Å²	70.3	29%	0.285	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.9	179.1	-55.8	73.9	-147.6	0	0	113.4	W173 V177 G205 L206	W173-E175 VanDerWaalsContact C-N 3.26Å; W173-E175 HydrophobicContact CZ2-CB 4.27Å; W173-E175 PolarHBondContact NE1-OE2 2.7Å; W173-E175 PolarHBondContact O-N 2.75Å; E175-V177 PolarHBondContact O-N 2.77Å; E175-G205 CarbonylContact O-C 3.58Å; E175-G205 WeakPolarHBondContact O-CA 3.35Å; E175-L206 WeakPolarHBondContact CB-O 3.44Å; E175-L206 PolarHBondContact O-N 2.91Å
176	L	93.1	Very high	89.9	Confident	48 Å²	48	70.8 Å²	70.8	25%	0.251	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	127.8	179.2	-176.8	71.6	0	0	0	111.3	W173 T174 S178 L179 A203	W173-L176 HydrophobicContact CB-CB 4.26Å; W173-L176 HydrophobicContact CD2-CB 4.23Å; W173-L176 HydrophobicContact CE3-CB 4.07Å; W173-L176 HydrophobicContact CE3-CD1 3.66Å; W173-L176 HydrophobicContact CE3-CG 4.49Å; W173-L176 HydrophobicContact CG-CB 4.37Å; W173-L176 HydrophobicContact CZ3-CD1 3.99Å; W173-L176 WeakPolarHBondContact O-CB 3.37Å; W173-L176 PolarHBondContact O-N 2.94Å; W173-L176 VanDerWaalsContact O-N 3.1Å; T174-L176 VanDerWaalsContact C-N 3.35Å; L176-S178 VanDerWaalsContact CD1-O 3.31Å; L176-S178 WeakPolarHBondContact CD1-O 3.29Å; L176-L179 HydrophobicContact CD1-CB 4.43Å; L176-L179 HydrophobicContact CD2-CB 4.28Å; L176-A203 HydrophobicContact CD1-CB 3.69Å
177	V	92.7	Very high	89.6	Confident	69 Å²	69	70.5 Å²	70.5	42%	0.418	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-41.2	176	176.4	0	0	0	0	111.8	E175 C204 L206 F274	E175-V177 PolarHBondContact O-N 2.77Å; V177-C204 PolarHBondContact N-O 3.34Å; V177-L206 HydrophobicContact CG2-CB 4.4Å; V177-L206 HydrophobicContact CG2-CD1 4.01Å; V177-L206 HydrophobicContact CG2-CG 3.86Å; V177-F274 HydrophobicContact CB-CE1 4.12Å; V177-F274 HydrophobicContact CG1-CD1 4.13Å; V177-F274 HydrophobicContact CG1-CE1 3.59Å; V177-F274 HydrophobicContact CG1-CZ 4.34Å; V177-F274 HydrophobicContact CG2-CE1 4.22Å
178	S	93.2	Very high	89.4	Confident	33 Å²	33	68.4 Å²	68.4	23%	0.231	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	146.8	179.7	61.5	0	0	0	0	110.9	L176 A203 C204	L176-S178 VanDerWaalsContact CD1-O 3.31Å; L176-S178 WeakPolarHBondContact CD1-O 3.29Å; S178-A203 CarbonylContact O-C 3.52Å; S178-A203 WeakPolarHBondContact O-CA 3.38Å; S178-C204 PolarHBondContact N-O 2.77Å; S178-C204 VanDerWaalsContact N-O 3.09Å; S178-C204 PolarHBondContact O-N 3.27Å; S178-C204 WeakPolarHBondContact OG-CB 3.1Å
179	L	95	Very high	88.9	Confident	42 Å²	42	69.6 Å²	69.6	22%	0.22	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	125.1	177.6	-179.4	68.7	0	0	0	108.3	L170 R171 L176 Q201 V202 A203	L170-L179 HydrophobicContact CD1-CD1 4.34Å; R171-L179 HydrophobicContact CG-CD2 3.92Å; L176-L179 HydrophobicContact CD1-CB 4.43Å; L176-L179 HydrophobicContact CD2-CB 4.28Å; L179-Q201 HydrophobicContact CD1-CB 4.1Å; L179-Q201 HydrophobicContact CD1-CG 4.43Å; L179-V202 WeakPolarHBondContact CA-O 3.48Å; L179-A203 HydrophobicContact CD1-CB 3.86Å
180	R	95.2	Very high	88.2	Confident	96 Å²	96	71.4 Å²	71.4	36%	0.362	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	168.8	176.4	67.8	-178.1	-170.4	-103.2	6	111.1	Q201 V202 E289	R180-Q201 CarbonylContact O-C 3.59Å; R180-Q201 WeakPolarHBondContact O-CA 3.17Å; R180-V202 HydrophobicContact CG-CB 3.87Å; R180-V202 PolarHBondContact N-O 3.13Å; R180-V202 PolarHBondContact O-N 2.6Å; R180-E289 IonicContact CZ-OE1 3.42Å; R180-E289 IonicContact CZ-OE2 3.8Å; R180-E289 IonicContact NH1-OE1 3.4Å; R180-E289 PolarHBondContact NH1-OE1 3.03Å; R180-E289 IonicContact NH1-OE2 3.2Å; R180-E289 IonicContact NH2-OE1 2.93Å; R180-E289 PolarHBondContact NH2-OE1 3.1Å; R180-E289 VanDerWaalsContact NH2-OE1 3.1Å; R180-E289 IonicContact NH2-OE2 3.13Å; R180-E289 PolarHBondContact NH2-OE2 3.25Å
181	F	95.8	Very high	87.6	Confident	114 Å²	114	76.8 Å²	76.8	50%	0.5	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.5	177.9	-63.8	-98.9	0	0	0	110	T199 Y200 Q201 V236	F181-T199 HydrophobicContact CB-CG2 4.4Å; F181-T199 HydrophobicContact CD1-CG2 3.99Å; F181-Y200 CarbonylContact C-O 3.58Å; F181-Y200 VanDerWaalsContact CA-O 3.27Å; F181-Y200 WeakPolarHBondContact CA-O 3.42Å; F181-Q201 HydrophobicContact CD1-CG 3.61Å; F181-Q201 HydrophobicContact CE1-CG 3.23Å; F181-Q201 HydrophobicContact CG-CG 4.47Å; F181-Q201 HydrophobicContact CZ-CG 3.79Å; F181-V236 HydrophobicContact CD1-CG2 4.12Å; F181-V236 HydrophobicContact CE1-CG2 4.03Å
182	I	95.2	Very high	87.1	Confident	46 Å²	46	76 Å²	76	24%	0.236	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.6	172.7	67.2	173.8	0	0	0	109.1	L184 T199 Y200 V202 F233	I182-L184 HydrophobicContact CD1-CD1 4.15Å; I182-L184 HydrophobicContact CD1-CD2 3.84Å; I182-L184 HydrophobicContact CD1-CG 4.04Å; I182-L184 HydrophobicContact CG1-CD2 4.38Å; I182-L184 HydrophobicContact CG1-CG 4.28Å; I182-T199 WeakPolarHBondContact O-CA 3.47Å; I182-Y200 PolarHBondContact N-O 2.03Å; I182-Y200 PolarHBondContact O-N 2.94Å; I182-V202 HydrophobicContact CD1-CG2 3.63Å; I182-V202 HydrophobicContact CG1-CG2 3.85Å; I182-V202 HydrophobicContact CG2-CG2 4.03Å; I182-F233 HydrophobicContact CD1-CD1 3.9Å; I182-F233 HydrophobicContact CD1-CE1 3.51Å
183	R	93.8	Very high	86.4	Confident	171 Å²	171	74.4 Å²	74.4	65%	0.645	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.8	173.8	-57.7	-171.4	-173.6	179	-1.1	109.3	E197 V198	R183-E197 HydrophobicContact CB-CG 3.98Å; R183-E197 VanDerWaalsContact CB-OE1 3.28Å; R183-E197 WeakPolarHBondContact CB-OE1 3.17Å; R183-E197 VanDerWaalsContact CD-CD 3.43Å; R183-E197 WeakPolarHBondContact CD-OE1 3.48Å; R183-E197 IonicContact NH1-OE1 2.75Å; R183-E197 IonicContact NH1-OE2 2.69Å; R183-E197 PolarHBondContact NH1-OE2 2.89Å; R183-V198 WeakPolarHBondContact CA-O 3.39Å
184	L	91.6	Very high	85.9	Confident	25 Å²	25	76.4 Å²	76.4	13%	0.131	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	163.1	-179.5	-58.9	-176.9	0	0	0	109.5	I182 E197 V198 Y200 L296 M297 L300	I182-L184 HydrophobicContact CD1-CD1 4.15Å; I182-L184 HydrophobicContact CD1-CD2 3.84Å; I182-L184 HydrophobicContact CD1-CG 4.04Å; I182-L184 HydrophobicContact CG1-CD2 4.38Å; I182-L184 HydrophobicContact CG1-CG 4.28Å; L184-E197 WeakPolarHBondContact O-CA 3.44Å; L184-V198 HydrophobicContact CB-CG2 4.2Å; L184-V198 PolarHBondContact N-O 2.97Å; L184-V198 PolarHBondContact O-N 2.84Å; L184-Y200 HydrophobicContact CB-CD2 4.42Å; L184-Y200 HydrophobicContact CD1-CD2 3.76Å; L184-Y200 HydrophobicContact CD1-CE2 4.14Å; L184-Y200 HydrophobicContact CD1-CG 4.02Å; L184-Y200 HydrophobicContact CG-CD2 4.22Å; L184-L296 HydrophobicContact CD1-CD2 3.77Å; L184-L296 HydrophobicContact CD1-CG 4.39Å; L184-M297 HydrophobicContact CB-SD 4.28Å; L184-M297 HydrophobicContact CD1-SD 4.16Å; L184-M297 HydrophobicContact CD2-SD 3.73Å; L184-M297 HydrophobicContact CG-SD 4.28Å; L184-L300 HydrophobicContact CB-CD1 4.13Å; L184-L300 HydrophobicContact CD1-CD1 3.86Å
185	Q	87.1	Confident	85.6	Confident	95 Å²	95	76.3 Å²	76.3	44%	0.444	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132	175	-62.3	-63.9	-42.2	0	0	109.1
186	Q	86.7	Confident	85.4	Confident	25 Å²	25	75.7 Å²	75.7	12%	0.117	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.4	179.8	177.2	175.3	-12.1	0	0	110.2	S188 T195 E196 V198 L300	Q186-S188 PolarHBondContact O-N 2.96Å; Q186-T195 CarbonylContact O-C 3.49Å; Q186-T195 WeakPolarHBondContact O-CA 3.46Å; Q186-E196 PolarHBondContact N-O 3.34Å; Q186-E196 PolarHBondContact O-N 3.34Å; Q186-V198 HydrophobicContact CB-CG1 4Å; Q186-V198 HydrophobicContact CB-CG2 3.8Å; Q186-L300 HydrophobicContact CB-CB 4.31Å; Q186-L300 HydrophobicContact CB-CD2 4.06Å; Q186-L300 HydrophobicContact CG-CB 4.38Å; Q186-L300 HydrophobicContact CG-CD2 3.78Å
187	K	80.2	Confident	85.2	Confident	86 Å²	86	78.5 Å²	78.5	37%	0.374	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.7	165.6	-70.1	-171.7	-175.2	158.6	0	110.1	H193 L300 S301	K187-H193 HydrophobicContact CB-CB 4.48Å; K187-H193 HydrophobicContact CD-CB 4.47Å; K187-L300 PolarHBondContact N-O 2.84Å; K187-S301 VanDerWaalsContact CD-O 3.24Å; K187-S301 WeakPolarHBondContact CD-O 3.24Å; K187-S301 WeakPolarHBondContact CE-O 2.96Å; K187-S301 PolarHBondContact NZ-O 2.83Å
188	S	77.3	Confident	85.1	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.021	37%	0.372	C	S	.	.			trans	-75.4	124.2	-178.8	-165.8	0	0	0	0	111.9	Q186 L190 K191 H193 A194 E196	Q186-S188 PolarHBondContact O-N 2.96Å; S188-L190 VanDerWaalsContact C-N 3.28Å; S188-L190 PolarHBondContact O-N 3.3Å; S188-K191 PolarHBondContact OG-N 3.36Å; S188-H193 WeakPolarHBondContact O-CA 3.4Å; S188-H193 PolarHBondContact O-N 3.49Å; S188-A194 WeakPolarHBondContact CB-O 3.17Å; S188-A194 PolarHBondContact N-O 2.76Å; S188-E196 WeakPolarHBondContact CA-OE1 3.25Å; S188-E196 WeakPolarHBondContact CB-OE1 3.44Å; S188-E196 PolarHBondContact OG-OE1 3.37Å; S188-E196 PolarHBondContact OG-OE2 3.47Å
189	E	71.8	Confident	85.1	Confident	62 Å²	62	77.1 Å²	77.1	29%	0.29	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-35.3	170.1	-70.5	178.3	-154.2	0	0	111.7	T252 E304	E189-T252 PolarHBondContact OE1-OG1 2.86Å; E189-E304 WeakPolarHBondContact OE1-CB 3.35Å
190	L	69.5	Low	85.1	Confident	115 Å²	115	75.2 Å²	75.2	60%	0.602	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-29.1	-177	-173.1	64.2	0	0	0	112.8	S188	S188-L190 VanDerWaalsContact C-N 3.28Å; S188-L190 PolarHBondContact O-N 3.3Å
191	K	75.7	Confident	85.1	Confident	114 Å²	114	72.1 Å²	72.1	50%	0.496	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	43.4	-177.4	-56.3	172.5	-178	149.1	0	112.4	S188 H193 A194 E196	S188-K191 PolarHBondContact OG-N 3.36Å; K191-H193 VanDerWaalsContact C-N 3.25Å; K191-H193 PolarHBondContact O-N 2.82Å; K191-H193 VanDerWaalsContact O-N 3.16Å; K191-A194 HydrophobicContact CB-CB 4Å; K191-A194 WeakPolarHBondContact O-CB 3.44Å; K191-A194 PolarHBondContact O-N 3.22Å; K191-E196 IonicContact NZ-OE2 3.78Å; K191-E196 PolarHBondContact NZ-OE2 3.17Å
192	N	77.2	Confident	85.2	Confident	153 Å²	153	66.8 Å²	66.8	82%	0.818	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	42.7	178.4	-65.6	-19.9	0	0	0	113.6	A194	N192-A194 PolarHBondContact O-N 3.18Å
193	H	73	Confident	85.2	Confident	90 Å²	90	64.6 Å²	64.6	42%	0.417	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	19.1	-177.5	-53.3	-71.5	0	0	0	115.6	K187 S188 K191	K187-H193 HydrophobicContact CB-CB 4.48Å; K187-H193 HydrophobicContact CD-CB 4.47Å; S188-H193 WeakPolarHBondContact O-CA 3.4Å; S188-H193 PolarHBondContact O-N 3.49Å; K191-H193 VanDerWaalsContact C-N 3.25Å; K191-H193 PolarHBondContact O-N 2.82Å; K191-H193 VanDerWaalsContact O-N 3.16Å
194	A	80.2	Confident	85.3	Confident	48 Å²	48	56.4 Å²	56.4	40%	0.397	29%	0.29	S	S	.	.			trans	-62.6	146.4	168	0	0	0	0	0	110.9	S188 K191 N192	S188-A194 WeakPolarHBondContact CB-O 3.17Å; S188-A194 PolarHBondContact N-O 2.76Å; K191-A194 HydrophobicContact CB-CB 4Å; K191-A194 WeakPolarHBondContact O-CB 3.44Å; K191-A194 PolarHBondContact O-N 3.22Å; N192-A194 PolarHBondContact O-N 3.18Å
195	T	82.3	Confident	85.4	Confident	106 Å²	106	55.2 Å²	55.2	65%	0.65	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.2	176.1	48.3	0	0	0	0	110.7	Q186	Q186-T195 CarbonylContact O-C 3.49Å; Q186-T195 WeakPolarHBondContact O-CA 3.46Å
196	E	86.2	Confident	85.8	Confident	49 Å²	49	51.6 Å²	51.6	23%	0.229	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151	171.5	69.8	-174.1	162.6	0	0	111.3	Q186 S188 K191 V198	Q186-E196 PolarHBondContact N-O 3.34Å; Q186-E196 PolarHBondContact O-N 3.34Å; S188-E196 WeakPolarHBondContact CA-OE1 3.25Å; S188-E196 WeakPolarHBondContact CB-OE1 3.44Å; S188-E196 PolarHBondContact OG-OE1 3.37Å; S188-E196 PolarHBondContact OG-OE2 3.47Å; K191-E196 IonicContact NZ-OE2 3.78Å; K191-E196 PolarHBondContact NZ-OE2 3.17Å; E196-V198 HydrophobicContact CG-CG1 4.22Å
197	E	88.8	Confident	86.1	Confident	106 Å²	106	50.9 Å²	50.9	50%	0.495	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.7	176.7	-171.2	176.2	-141.4	0	0	109.5	R183 L184	R183-E197 HydrophobicContact CB-CG 3.98Å; R183-E197 VanDerWaalsContact CB-OE1 3.28Å; R183-E197 WeakPolarHBondContact CB-OE1 3.17Å; R183-E197 VanDerWaalsContact CD-CD 3.43Å; R183-E197 WeakPolarHBondContact CD-OE1 3.48Å; R183-E197 IonicContact NH1-OE1 2.75Å; R183-E197 IonicContact NH1-OE2 2.69Å; R183-E197 PolarHBondContact NH1-OE2 2.89Å; L184-E197 WeakPolarHBondContact O-CA 3.44Å
198	V	90.8	Very high	86.6	Confident	24 Å²	24	56 Å²	56	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.7	178	-65.8	0	0	0	0	110.2	R183 L184 Q186 E196 Y200	R183-V198 WeakPolarHBondContact CA-O 3.39Å; L184-V198 HydrophobicContact CB-CG2 4.2Å; L184-V198 PolarHBondContact N-O 2.97Å; L184-V198 PolarHBondContact O-N 2.84Å; Q186-V198 HydrophobicContact CB-CG1 4Å; Q186-V198 HydrophobicContact CB-CG2 3.8Å; E196-V198 HydrophobicContact CG-CG1 4.22Å; V198-Y200 HydrophobicContact CG2-CD2 4.11Å; V198-Y200 HydrophobicContact CG2-CE2 3.78Å
199	T	94.3	Very high	87.2	Confident	50 Å²	50	56.7 Å²	56.7	31%	0.307	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.7	179.8	-59.9	0	0	0	0	109.9	F181 I182 V236	F181-T199 HydrophobicContact CB-CG2 4.4Å; F181-T199 HydrophobicContact CD1-CG2 3.99Å; I182-T199 WeakPolarHBondContact O-CA 3.47Å; T199-V236 HydrophobicContact CG2-CB 4.3Å; T199-V236 HydrophobicContact CG2-CG2 3.96Å; T199-V236 WeakPolarHBondContact O-CB 3.48Å; T199-V236 PolarHBondContact O-N 3.16Å
200	Y	95.3	Very high	87.9	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.4	177	-90.6	-103.3	0	0	0	110.7	F181 I182 L184 V198 F233 E234 P235 I254 L296 L300	F181-Y200 CarbonylContact C-O 3.58Å; F181-Y200 VanDerWaalsContact CA-O 3.27Å; F181-Y200 WeakPolarHBondContact CA-O 3.42Å; I182-Y200 PolarHBondContact N-O 2.03Å; I182-Y200 PolarHBondContact O-N 2.94Å; L184-Y200 HydrophobicContact CB-CD2 4.42Å; L184-Y200 HydrophobicContact CD1-CD2 3.76Å; L184-Y200 HydrophobicContact CD1-CE2 4.14Å; L184-Y200 HydrophobicContact CD1-CG 4.02Å; L184-Y200 HydrophobicContact CG-CD2 4.22Å; V198-Y200 HydrophobicContact CG2-CD2 4.11Å; V198-Y200 HydrophobicContact CG2-CE2 3.78Å; Y200-F233 HydrophobicContact CD1-CB 4.06Å; Y200-F233 HydrophobicContact CE1-CB 4.5Å; Y200-E234 CarbonylContact C-O 3.48Å; Y200-E234 WeakPolarHBondContact CA-O 3.32Å; Y200-E234 VanDerWaalsContact CD1-C 3.42Å; Y200-P235 HydrophobicContact CD1-CB 4.4Å; Y200-P235 HydrophobicContact CD2-CB 4.47Å; Y200-P235 HydrophobicContact CE1-CB 3.9Å; Y200-P235 HydrophobicContact CE1-CG 4.29Å; Y200-P235 HydrophobicContact CE2-CB 3.97Å; Y200-I254 WeakPolarHBondContact CE1-O 3.31Å; Y200-I254 PolarHBondContact OH-O 3.48Å; Y200-L296 HydrophobicContact CD1-CD2 4.01Å; Y200-L296 HydrophobicContact CE1-CD1 4.19Å; Y200-L296 HydrophobicContact CE1-CD2 3.7Å; Y200-L300 HydrophobicContact CE2-CD1 4.12Å
201	Q	94.9	Very high	88.6	Confident	32 Å²	32	56.8 Å²	56.8	15%	0.15	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.5	164	-76.3	174.4	36.3	0	0	109	L170 L179 R180 F181 F233 E234 V236	L170-Q201 HydrophobicContact CD1-CB 4.2Å; L179-Q201 HydrophobicContact CD1-CB 4.1Å; L179-Q201 HydrophobicContact CD1-CG 4.43Å; R180-Q201 CarbonylContact O-C 3.59Å; R180-Q201 WeakPolarHBondContact O-CA 3.17Å; F181-Q201 HydrophobicContact CD1-CG 3.61Å; F181-Q201 HydrophobicContact CE1-CG 3.23Å; F181-Q201 HydrophobicContact CG-CG 4.47Å; F181-Q201 HydrophobicContact CZ-CG 3.79Å; Q201-F233 CarbonylContact O-C 3.56Å; Q201-F233 WeakPolarHBondContact O-CA 3.38Å; Q201-E234 PolarHBondContact N-O 3.08Å; Q201-E234 PolarHBondContact O-N 3.09Å; Q201-V236 HydrophobicContact CB-CG2 4.49Å; Q201-V236 HydrophobicContact CG-CG2 3.64Å
202	V	96.4	Very high	88.9	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.6	172.3	-177	0	0	0	0	107.7	L179 R180 I182 V231 V232 F233	L179-V202 WeakPolarHBondContact CA-O 3.48Å; R180-V202 HydrophobicContact CG-CB 3.87Å; R180-V202 PolarHBondContact N-O 3.13Å; R180-V202 PolarHBondContact O-N 2.6Å; I182-V202 HydrophobicContact CD1-CG2 3.63Å; I182-V202 HydrophobicContact CG1-CG2 3.85Å; I182-V202 HydrophobicContact CG2-CG2 4.03Å; V202-V231 HydrophobicContact CG1-CG1 4.43Å; V202-V232 CarbonylContact C-O 3.48Å; V202-V232 WeakPolarHBondContact CA-O 3.36Å; V202-F233 HydrophobicContact CB-CE2 4.43Å; V202-F233 HydrophobicContact CG1-CD2 4.03Å; V202-F233 HydrophobicContact CG1-CE2 3.58Å; V202-F233 HydrophobicContact CG1-CZ 3.92Å; V202-F233 HydrophobicContact CG2-CD1 3.84Å; V202-F233 HydrophobicContact CG2-CD2 4.22Å; V202-F233 HydrophobicContact CG2-CE1 3.69Å; V202-F233 HydrophobicContact CG2-CE2 4.06Å; V202-F233 HydrophobicContact CG2-CG 4.11Å; V202-F233 HydrophobicContact CG2-CZ 3.8Å
203	A	95.8	Very high	88.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.5	178.2	0	0	0	0	0	110.4	L170 W173 L176 S178 L179 V231 V232	L170-A203 HydrophobicContact CD1-CB 4.04Å; W173-A203 HydrophobicContact CE3-CB 4.41Å; W173-A203 HydrophobicContact CZ3-CB 4.1Å; L176-A203 HydrophobicContact CD1-CB 3.69Å; S178-A203 CarbonylContact O-C 3.52Å; S178-A203 WeakPolarHBondContact O-CA 3.38Å; L179-A203 HydrophobicContact CD1-CB 3.86Å; A203-V231 CarbonylContact O-C 3.57Å; A203-V231 WeakPolarHBondContact O-CA 3.38Å; A203-V232 HydrophobicContact CB-CB 4.41Å; A203-V232 PolarHBondContact N-O 3.4Å; A203-V232 PolarHBondContact O-N 3.39Å
204	C	95.9	Very high	89	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.4	169.6	177	0	0	0	0	109.2	V177 S178 V230 V231 R285	V177-C204 PolarHBondContact N-O 3.34Å; S178-C204 PolarHBondContact N-O 2.77Å; S178-C204 VanDerWaalsContact N-O 3.09Å; S178-C204 PolarHBondContact O-N 3.27Å; S178-C204 WeakPolarHBondContact OG-CB 3.1Å; C204-V230 CarbonylContact C-O 3.52Å; C204-V230 VanDerWaalsContact CA-O 3.27Å; C204-V230 WeakPolarHBondContact CA-O 3.3Å; C204-V231 HydrophobicContact CB-CG2 4.45Å; C204-R285 HydrophobicContact CB-CG 4.15Å
205	G	94.4	Very high	88.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	167.2	177.1	0	0	0	0	0	113.1	E175 V230	E175-G205 CarbonylContact O-C 3.58Å; E175-G205 WeakPolarHBondContact O-CA 3.35Å; G205-V230 PolarHBondContact N-O 3.46Å; G205-V230 PolarHBondContact O-N 3.09Å
206	L	94.4	Very high	88.6	Confident	18 Å²	18	65.9 Å²	65.9	9%	0.094	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	104.4	-173.9	-63.2	178.7	0	0	0	110.7	E175 V177 R208 V227 L228 V229 L271 F274	E175-L206 WeakPolarHBondContact CB-O 3.44Å; E175-L206 PolarHBondContact O-N 2.91Å; V177-L206 HydrophobicContact CG2-CB 4.4Å; V177-L206 HydrophobicContact CG2-CD1 4.01Å; V177-L206 HydrophobicContact CG2-CG 3.86Å; L206-R208 PolarHBondContact O-N 2.86Å; L206-V227 HydrophobicContact CD2-CG2 4.41Å; L206-L228 WeakPolarHBondContact CA-O 3.22Å; L206-V229 HydrophobicContact CD2-CB 4.43Å; L206-V229 HydrophobicContact CD2-CG2 3.87Å; L206-L271 HydrophobicContact CD1-CD2 4.01Å; L206-F274 HydrophobicContact CD1-CD1 3.96Å; L206-F274 HydrophobicContact CD1-CE1 3.8Å; L206-F274 HydrophobicContact CD2-CE1 4.13Å; L206-F274 HydrophobicContact CG-CE1 4.06Å
207	I	92.7	Very high	88	Confident	10 Å²	10	66.1 Å²	66.1	5%	0.051	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.6	177.5	-61.7	178	0	0	0	108.9	I79 T89 L209 V227 L228 V230	I79-I207 HydrophobicContact CD1-CD1 3.52Å; T89-I207 HydrophobicContact CG2-CD1 3.7Å; I207-L209 HydrophobicContact CG2-CD2 4.47Å; I207-V227 CarbonylContact O-C 3.35Å; I207-V227 WeakPolarHBondContact O-CA 3.23Å; I207-L228 HydrophobicContact CB-CB 4.39Å; I207-L228 PolarHBondContact N-O 3.45Å; I207-L228 PolarHBondContact O-N 3.33Å; I207-V230 HydrophobicContact CD1-CG2 3.57Å; I207-V230 HydrophobicContact CG1-CG2 3.98Å
208	R	91.9	Very high	87.3	Confident	193 Å²	193	67.3 Å²	67.3	73%	0.728	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.5	176	-65.9	-176.6	177	121.1	-2.7	110.8	L206 V227	L206-R208 PolarHBondContact O-N 2.86Å; R208-V227 HydrophobicContact CG-CG1 4.13Å
209	L	89.5	Confident	86.7	Confident	19 Å²	19	73.6 Å²	73.6	10%	0.099	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.4	172.9	-60.8	-175.6	0	0	0	110.2	I207 L211 K226 L228 P263	I207-L209 HydrophobicContact CG2-CD2 4.47Å; L209-L211 PolarHBondContact O-N 3.41Å; L209-K226 HydrophobicContact CB-CB 4.41Å; L209-K226 HydrophobicContact CB-CG 4.31Å; L209-K226 HydrophobicContact CD1-CG 4.48Å; L209-K226 PolarHBondContact N-O 2.9Å; L209-L228 HydrophobicContact CD1-CD1 4.03Å; L209-L228 HydrophobicContact CD1-CG 3.98Å; L209-L228 HydrophobicContact CD2-CD1 4.19Å; L209-L228 HydrophobicContact CG-CD1 4.38Å; L209-L228 HydrophobicContact CG-CG 4.4Å; L209-P263 HydrophobicContact CD1-CB 3.84Å; L209-P263 HydrophobicContact CD1-CG 3.69Å
210	P	87.6	Confident	86	Confident	120 Å²	120	80.4 Å²	80.4	78%	0.779	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-62.5	135.5	175.7	25.5	-33.2	0	0	0	111.2
211	L	83.7	Confident	85.3	Confident	59 Å²	59	83.6 Å²	83.6	31%	0.309	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-88.1	145.2	170.3	-77.7	170.5	0	0	0	109.9	L209 F215 K226 L265	L209-L211 PolarHBondContact O-N 3.41Å; L211-F215 HydrophobicContact CD2-CD1 4.44Å; L211-F215 HydrophobicContact CD2-CD2 4.33Å; L211-F215 HydrophobicContact CD2-CG 4.28Å; L211-K226 HydrophobicContact CD2-CB 3.7Å; L211-K226 HydrophobicContact CG-CB 4.26Å; L211-L265 HydrophobicContact CD2-CD2 4.14Å
212	P	81.4	Confident	84.9	Confident	81 Å²	81	85 Å²	85	53%	0.526	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-58.5	141.8	170.6	-20.1	31.3	0	0	0	111.4	N214 F215	P212-N214 PolarHBondContact O-N 3.35Å; P212-F215 HydrophobicContact CG-CD2 4.29Å; P212-F215 VanDerWaalsContact O-CB 3.28Å; P212-F215 WeakPolarHBondContact O-CB 3.4Å; P212-F215 PolarHBondContact O-N 2.91Å; P212-F215 VanDerWaalsContact O-N 3.1Å
213	E	77.3	Confident	84.6	Confident	198 Å²	198	86.3 Å²	86.3	93%	0.925	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.3	-179.1	-66.3	-179.4	172.8	0	0	113	F215	E213-F215 VanDerWaalsContact C-N 3.35Å; E213-F215 PolarHBondContact O-N 3.18Å
214	N	75.4	Confident	84.2	Confident	152 Å²	152	89.9 Å²	89.9	81%	0.813	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	28.6	179.9	-70.4	-20.4	0	0	0	113.6	P212 K216	P212-N214 PolarHBondContact O-N 3.35Å; N214-K216 PolarHBondContact O-N 3.16Å
215	F	77.5	Confident	84	Confident	72 Å²	72	90.4 Å²	90.4	32%	0.316	46%	0.461	S	S	.	.			trans	-69.1	106	-178.8	-164.2	-94.7	0	0	0	110.8	L211 P212 E213 T217 V223 L265	L211-F215 HydrophobicContact CD2-CD1 4.44Å; L211-F215 HydrophobicContact CD2-CD2 4.33Å; L211-F215 HydrophobicContact CD2-CG 4.28Å; P212-F215 HydrophobicContact CG-CD2 4.29Å; P212-F215 VanDerWaalsContact O-CB 3.28Å; P212-F215 WeakPolarHBondContact O-CB 3.4Å; P212-F215 PolarHBondContact O-N 2.91Å; P212-F215 VanDerWaalsContact O-N 3.1Å; E213-F215 VanDerWaalsContact C-N 3.35Å; E213-F215 PolarHBondContact O-N 3.18Å; F215-T217 HydrophobicContact CD1-CG2 3.74Å; F215-T217 HydrophobicContact CE1-CG2 4.14Å; F215-T217 PolarHBondContact O-N 3.24Å; F215-V223 HydrophobicContact CD1-CB 4.43Å; F215-V223 HydrophobicContact CE1-CB 3.8Å; F215-V223 HydrophobicContact CE1-CG1 3.94Å; F215-V223 HydrophobicContact CE1-CG2 3.96Å; F215-L265 HydrophobicContact CE2-CD1 4.42Å; F215-L265 HydrophobicContact CE2-CD2 4.29Å; F215-L265 HydrophobicContact CZ-CD1 3.72Å; F215-L265 HydrophobicContact CZ-CD2 3.9Å; F215-L265 HydrophobicContact CZ-CG 4.45Å
216	K	75.5	Confident	83.9	Confident	198 Å²	198	93.8 Å²	93.8	86%	0.861	48%	0.475	S	S	*	.			trans	-69.6	119.3	176.1	-65.5	-174.8	-180	-177.3	0	109.7	N214	N214-K216 PolarHBondContact O-N 3.16Å
217	T	74.3	Confident	83.8	Confident	55 Å²	55	93 Å²	93	34%	0.337	47%	0.471	S	S	.	.			trans	-107.2	151.6	176.2	60.2	0	0	0	0	111	F215 V223	F215-T217 HydrophobicContact CD1-CG2 3.74Å; F215-T217 HydrophobicContact CE1-CG2 4.14Å; F215-T217 PolarHBondContact O-N 3.24Å; T217-V223 HydrophobicContact CG2-CB 4Å
218	N	74.9	Confident	83.9	Confident	130 Å²	130	92.7 Å²	92.7	70%	0.695	47%	0.47	S	S	*	.			trans	-69.3	131	168.1	-74	-21.8	0	0	0	109.9	H220 N221 P222	N218-H220 PolarHBondContact O-N 2.81Å; N218-N221 CarbonylContact O-C 3.39Å; N218-N221 PolarHBondContact O-N 2.8Å; N218-P222 WeakPolarHBondContact O-CA 3.33Å
219	D	77.9	Confident	84	Confident	156 Å²	156	83.5 Å²	83.5	83%	0.834	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.5	-179.8	-70.5	-27.4	0	0	0	113.2
220	H	78.6	Confident	84.3	Confident	194 Å²	194	82.6 Å²	82.6	90%	0.898	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-21.6	-177.8	-68.8	-34	0	0	0	114.7	N218	N218-H220 PolarHBondContact O-N 2.81Å
221	N	81.8	Confident	84.7	Confident	68 Å²	68	76.9 Å²	76.9	36%	0.364	39%	0.393	S	S	.	.	S	Bend	trans	-153.8	80.9	175.5	-163.7	18.5	0	0	0	108.9	N218 T267	N218-N221 CarbonylContact O-C 3.39Å; N218-N221 PolarHBondContact O-N 2.8Å; N221-T267 HydrophobicContact CB-CG2 4.47Å; N221-T267 PolarHBondContact ND2-OG1 3.49Å; N221-T267 VanDerWaalsContact ND2-OG1 3.11Å; N221-T267 WeakPolarHBondContact OD1-CB 3.19Å; N221-T267 PolarHBondContact OD1-OG1 2.66Å
222	P	86.4	Confident	85.3	Confident	60 Å²	60	74 Å²	74	39%	0.39	38%	0.378	S	S	.	.			trans	-68.2	139.9	-171.7	26.9	-33.9	0	0	0	110.9	N218 I224	N218-P222 WeakPolarHBondContact O-CA 3.33Å; P222-I224 PolarHBondContact O-N 2.9Å
223	V	89.1	Confident	86	Confident	30 Å²	30	70.3 Å²	70.3	18%	0.182	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119.8	170.6	176.8	0	0	0	0	107.9	F215 T217 L265 I266 T267	F215-V223 HydrophobicContact CD1-CB 4.43Å; F215-V223 HydrophobicContact CE1-CB 3.8Å; F215-V223 HydrophobicContact CE1-CG1 3.94Å; F215-V223 HydrophobicContact CE1-CG2 3.96Å; T217-V223 HydrophobicContact CG2-CB 4Å; V223-L265 HydrophobicContact CG1-CB 3.99Å; V223-L265 HydrophobicContact CG1-CD2 4.1Å; V223-L265 HydrophobicContact CG2-CB 4.43Å; V223-I266 WeakPolarHBondContact CA-O 3.32Å; V223-T267 HydrophobicContact CG2-CG2 4.45Å
224	I	89	Confident	86.8	Confident	74 Å²	74	61.4 Å²	61.4	38%	0.379	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-26.9	-177.4	57.3	169.7	0	0	0	112.2	P222 I266 E268 L271	P222-I224 PolarHBondContact O-N 2.9Å; I224-I266 HydrophobicContact CG1-CG1 4.35Å; I224-I266 VanDerWaalsContact CG1-O 3.28Å; I224-I266 WeakPolarHBondContact CG1-O 3.35Å; I224-I266 PolarHBondContact N-O 2.79Å; I224-E268 HydrophobicContact CD1-CB 4.4Å; I224-E268 WeakPolarHBondContact CD1-OE2 3.46Å; I224-L271 HydrophobicContact CD1-CD1 3.46Å; I224-L271 VanDerWaalsContact CD1-CD1 3.46Å; I224-L271 HydrophobicContact CD1-CG 4.24Å
225	A	90.3	Very high	87.6	Confident	11 Å²	11	54.5 Å²	54.5	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	161.3	-178	0	0	0	0	0	112.1	V227 I266	A225-V227 HydrophobicContact CB-CG1 4.21Å; A225-I266 HydrophobicContact CB-CD1 3.97Å; A225-I266 HydrophobicContact CB-CG1 3.82Å; A225-I266 PolarHBondContact N-O 2.86Å; A225-I266 VanDerWaalsContact O-CG1 3.27Å; A225-I266 WeakPolarHBondContact O-CG1 3.43Å; A225-I266 PolarHBondContact O-N 3.26Å
226	K	92.2	Very high	88.2	Confident	71 Å²	71	53.9 Å²	53.9	31%	0.309	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.3	165.7	-178	176.4	-178.6	-179.3	0	107.3	L209 L211 P263 I264 L265	L209-K226 HydrophobicContact CB-CB 4.41Å; L209-K226 HydrophobicContact CB-CG 4.31Å; L209-K226 HydrophobicContact CD1-CG 4.48Å; L209-K226 PolarHBondContact N-O 2.9Å; L211-K226 HydrophobicContact CD2-CB 3.7Å; L211-K226 HydrophobicContact CG-CB 4.26Å; K226-P263 HydrophobicContact CD-CB 4.02Å; K226-P263 HydrophobicContact CG-CB 3.62Å; K226-I264 CarbonylContact C-O 3.53Å; K226-I264 WeakPolarHBondContact CA-O 3.37Å; K226-L265 HydrophobicContact CB-CD2 4.01Å; K226-L265 HydrophobicContact CD-CD2 4.33Å; K226-L265 HydrophobicContact CG-CD2 4.08Å
227	V	93.6	Very high	88.6	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	153.7	-173.6	-60.3	0	0	0	0	112.9	L206 I207 R208 A225 P263 I264 I266 L281	L206-V227 HydrophobicContact CD2-CG2 4.41Å; I207-V227 CarbonylContact O-C 3.35Å; I207-V227 WeakPolarHBondContact O-CA 3.23Å; R208-V227 HydrophobicContact CG-CG1 4.13Å; A225-V227 HydrophobicContact CB-CG1 4.21Å; V227-P263 CarbonylContact O-C 3.54Å; V227-P263 WeakPolarHBondContact O-CA 3.47Å; V227-I264 HydrophobicContact CG2-CB 4.44Å; V227-I264 PolarHBondContact N-O 3.07Å; V227-I264 PolarHBondContact O-N 3.43Å; V227-I266 HydrophobicContact CB-CD1 4.46Å; V227-I266 HydrophobicContact CG1-CD1 3.54Å; V227-I266 HydrophobicContact CG1-CG1 4.05Å; V227-I266 HydrophobicContact CG2-CD1 4.05Å; V227-I266 HydrophobicContact CG2-CG1 4.21Å; V227-I266 HydrophobicContact CG2-CG2 3.64Å; V227-L281 HydrophobicContact CG2-CD2 4.2Å
228	L	93.8	Very high	89	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.4	162.2	-68.8	167.6	0	0	0	108.8	I79 L206 I207 L209 I259 S260 P263	I79-L228 HydrophobicContact CD1-CD1 4.42Å; L206-L228 WeakPolarHBondContact CA-O 3.22Å; I207-L228 HydrophobicContact CB-CB 4.39Å; I207-L228 PolarHBondContact N-O 3.45Å; I207-L228 PolarHBondContact O-N 3.33Å; L209-L228 HydrophobicContact CD1-CD1 4.03Å; L209-L228 HydrophobicContact CD1-CG 3.98Å; L209-L228 HydrophobicContact CD2-CD1 4.19Å; L209-L228 HydrophobicContact CG-CD1 4.38Å; L209-L228 HydrophobicContact CG-CG 4.4Å; L228-I259 HydrophobicContact CB-CG2 4.14Å; L228-I259 HydrophobicContact CD2-CG2 4.37Å; L228-S260 WeakPolarHBondContact CA-OG 3.35Å; L228-S260 WeakPolarHBondContact CD2-OG 3.48Å; L228-P263 HydrophobicContact CD2-CB 4.21Å; L228-P263 HydrophobicContact CD2-CG 4.01Å
229	V	95	Very high	89.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.2	172.2	-176.2	0	0	0	0	107.5	L206 I259 S260 I264 L281 E284 R285 L288	L206-V229 HydrophobicContact CD2-CB 4.43Å; L206-V229 HydrophobicContact CD2-CG2 3.87Å; V229-I259 CarbonylContact O-C 3.59Å; V229-I259 VanDerWaalsContact O-CA 3.24Å; V229-I259 WeakPolarHBondContact O-CA 3.49Å; V229-S260 PolarHBondContact N-OG 3.4Å; V229-S260 VanDerWaalsContact N-OG 3.07Å; V229-S260 PolarHBondContact O-N 3.45Å; V229-I264 HydrophobicContact CG2-CD1 4.09Å; V229-L281 HydrophobicContact CG2-CD2 3.86Å; V229-E284 HydrophobicContact CB-CG 4.25Å; V229-E284 HydrophobicContact CG2-CG 4.17Å; V229-R285 HydrophobicContact CG1-CB 4.36Å; V229-L288 HydrophobicContact CB-CD1 4.03Å; V229-L288 HydrophobicContact CG1-CD1 3.9Å; V229-L288 WeakPolarHBondContact O-CD1 3.37Å
230	V	95.3	Very high	90.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.4	177.5	-179	0	0	0	0	109	I79 I91 W173 C204 G205 I207 V232 I257 I259	I79-V230 HydrophobicContact CD1-CG2 4.47Å; I91-V230 HydrophobicContact CD1-CG1 3.91Å; W173-V230 HydrophobicContact CH2-CB 3.97Å; W173-V230 HydrophobicContact CH2-CG1 4.06Å; W173-V230 HydrophobicContact CZ2-CB 4.2Å; W173-V230 HydrophobicContact CZ2-CG1 4.41Å; C204-V230 CarbonylContact C-O 3.52Å; C204-V230 VanDerWaalsContact CA-O 3.27Å; C204-V230 WeakPolarHBondContact CA-O 3.3Å; G205-V230 PolarHBondContact N-O 3.46Å; G205-V230 PolarHBondContact O-N 3.09Å; I207-V230 HydrophobicContact CD1-CG2 3.57Å; I207-V230 HydrophobicContact CG1-CG2 3.98Å; V230-V232 HydrophobicContact CG1-CG2 4.07Å; V230-I257 HydrophobicContact CG1-CG2 4.37Å; V230-I259 HydrophobicContact CG1-CG1 4.21Å; V230-I259 HydrophobicContact CG2-CG1 4.09Å; V230-I259 HydrophobicContact CG2-CG2 4.08Å
231	V	96.6	Very high	90.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.7	175	-179.8	0	0	0	0	108.8	V202 A203 C204 F233 I257 R258 R285 L288 E289 I292	V202-V231 HydrophobicContact CG1-CG1 4.43Å; A203-V231 CarbonylContact O-C 3.57Å; A203-V231 WeakPolarHBondContact O-CA 3.38Å; C204-V231 HydrophobicContact CB-CG2 4.45Å; V231-F233 HydrophobicContact CG1-CD2 4.04Å; V231-F233 HydrophobicContact CG1-CE2 3.75Å; V231-I257 WeakPolarHBondContact O-CA 3.44Å; V231-R258 PolarHBondContact N-O 3.26Å; V231-R258 PolarHBondContact O-N 3.02Å; V231-R285 HydrophobicContact CG2-CG 4.03Å; V231-L288 HydrophobicContact CB-CB 4.2Å; V231-L288 HydrophobicContact CG2-CB 3.8Å; V231-L288 HydrophobicContact CG2-CD1 4.13Å; V231-E289 HydrophobicContact CG1-CG 3.58Å; V231-E289 HydrophobicContact CG2-CG 4.31Å; V231-I292 HydrophobicContact CB-CD1 3.83Å; V231-I292 HydrophobicContact CG1-CD1 3.58Å; V231-I292 WeakPolarHBondContact O-CD1 3.09Å
232	V	96	Very high	90.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.5	-178.8	-174.7	0	0	0	0	109.5	I91 W173 V202 A203 V230 E234 T255 G256 I257	I91-V232 HydrophobicContact CD1-CG2 3.78Å; I91-V232 HydrophobicContact CG2-CG2 4.42Å; W173-V232 HydrophobicContact CZ3-CG2 4.47Å; V202-V232 CarbonylContact C-O 3.48Å; V202-V232 WeakPolarHBondContact CA-O 3.36Å; A203-V232 HydrophobicContact CB-CB 4.41Å; A203-V232 PolarHBondContact N-O 3.4Å; A203-V232 PolarHBondContact O-N 3.39Å; V230-V232 HydrophobicContact CG1-CG2 4.07Å; V232-E234 HydrophobicContact CG1-CB 4.38Å; V232-T255 HydrophobicContact CG1-CG2 4.15Å; V232-G256 CarbonylContact C-O 3.43Å; V232-G256 WeakPolarHBondContact CA-O 3.27Å; V232-I257 HydrophobicContact CB-CG1 4.45Å; V232-I257 HydrophobicContact CG1-CG1 3.95Å; V232-I257 HydrophobicContact CG2-CG1 4.16Å; V232-I257 HydrophobicContact CG2-CG2 4.34Å
233	F	96.4	Very high	90.9	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.5	169.3	-79.5	-125.7	0	0	0	107.1	I182 Y200 Q201 V202 V231 T255 G256 E289 I292 L296	I182-F233 HydrophobicContact CD1-CD1 3.9Å; I182-F233 HydrophobicContact CD1-CE1 3.51Å; Y200-F233 HydrophobicContact CD1-CB 4.06Å; Y200-F233 HydrophobicContact CE1-CB 4.5Å; Q201-F233 CarbonylContact O-C 3.56Å; Q201-F233 WeakPolarHBondContact O-CA 3.38Å; V202-F233 HydrophobicContact CB-CE2 4.43Å; V202-F233 HydrophobicContact CG1-CD2 4.03Å; V202-F233 HydrophobicContact CG1-CE2 3.58Å; V202-F233 HydrophobicContact CG1-CZ 3.92Å; V202-F233 HydrophobicContact CG2-CD1 3.84Å; V202-F233 HydrophobicContact CG2-CD2 4.22Å; V202-F233 HydrophobicContact CG2-CE1 3.69Å; V202-F233 HydrophobicContact CG2-CE2 4.06Å; V202-F233 HydrophobicContact CG2-CG 4.11Å; V202-F233 HydrophobicContact CG2-CZ 3.8Å; V231-F233 HydrophobicContact CG1-CD2 4.04Å; V231-F233 HydrophobicContact CG1-CE2 3.75Å; F233-T255 CarbonylContact O-C 3.59Å; F233-T255 WeakPolarHBondContact O-CA 3.42Å; F233-T255 WeakPolarHBondContact O-CG2 3.41Å; F233-G256 PolarHBondContact N-O 3.11Å; F233-G256 PolarHBondContact O-N 2.96Å; F233-E289 HydrophobicContact CE2-CB 4.32Å; F233-E289 HydrophobicContact CE2-CG 4.08Å; F233-E289 HydrophobicContact CZ-CB 4.34Å; F233-E289 HydrophobicContact CZ-CG 4.4Å; F233-I292 HydrophobicContact CB-CG2 3.86Å; F233-I292 HydrophobicContact CD1-CG2 4.15Å; F233-I292 HydrophobicContact CD2-CB 4.03Å; F233-I292 HydrophobicContact CD2-CD1 3.71Å; F233-I292 HydrophobicContact CD2-CG1 4.49Å; F233-I292 HydrophobicContact CD2-CG2 3.55Å; F233-I292 HydrophobicContact CE2-CB 4.11Å; F233-I292 HydrophobicContact CE2-CD1 3.98Å; F233-I292 HydrophobicContact CE2-CG2 4.07Å; F233-I292 HydrophobicContact CG-CG2 3.6Å; F233-L296 HydrophobicContact CB-CD2 3.93Å; F233-L296 HydrophobicContact CD1-CD2 3.74Å; F233-L296 HydrophobicContact CG-CD2 4.22Å
234	E	93.2	Very high	91.1	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.8	-174.4	-169.3	-177.7	135.3	0	0	110.4	K167 L170 Y200 Q201 V232	K167-E234 WeakPolarHBondContact CD-OE1 3.46Å; K167-E234 VanDerWaalsContact CE-CD 3.46Å; K167-E234 WeakPolarHBondContact CE-OE1 3.27Å; K167-E234 IonicContact NZ-OE1 3.17Å; K167-E234 PolarHBondContact NZ-OE1 3.22Å; K167-E234 IonicContact NZ-OE2 3.67Å; L170-E234 HydrophobicContact CD1-CB 3.97Å; L170-E234 WeakPolarHBondContact CD1-OE2 3.46Å; L170-E234 VanDerWaalsContact CD2-OE2 3.32Å; L170-E234 WeakPolarHBondContact CD2-OE2 3.37Å; L170-E234 WeakPolarHBondContact CG-OE2 3.46Å; Y200-E234 CarbonylContact C-O 3.48Å; Y200-E234 WeakPolarHBondContact CA-O 3.32Å; Y200-E234 VanDerWaalsContact CD1-C 3.42Å; Q201-E234 PolarHBondContact N-O 3.08Å; Q201-E234 PolarHBondContact O-N 3.09Å; V232-E234 HydrophobicContact CG1-CB 4.38Å
235	P	92.3	Very high	91.2	Very high	7 Å²	7	38 Å²	38	5%	0.045	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.8	179.7	29.6	-34.2	0	0	0	111	Y200 F237 F253 I254	Y200-P235 HydrophobicContact CD1-CB 4.4Å; Y200-P235 HydrophobicContact CD2-CB 4.47Å; Y200-P235 HydrophobicContact CE1-CB 3.9Å; Y200-P235 HydrophobicContact CE1-CG 4.29Å; Y200-P235 HydrophobicContact CE2-CB 3.97Å; P235-F237 HydrophobicContact CB-CD2 3.87Å; P235-F237 HydrophobicContact CB-CE2 3.58Å; P235-F237 HydrophobicContact CG-CD2 4.11Å; P235-F237 HydrophobicContact CG-CE2 3.79Å; P235-F253 HydrophobicContact CG-CB 4.43Å; P235-F253 HydrophobicContact CG-CD1 4.31Å; P235-I254 WeakPolarHBondContact CD-O 3.33Å
236	V	90.4	Very high	91.2	Very high	59 Å²	59	39.7 Å²	39.7	36%	0.358	22%	0.224	S	C	.	.			trans	-87.3	122.4	174	-175.4	0	0	0	0	108.9	F181 T199 Q201	F181-V236 HydrophobicContact CD1-CG2 4.12Å; F181-V236 HydrophobicContact CE1-CG2 4.03Å; T199-V236 HydrophobicContact CG2-CB 4.3Å; T199-V236 HydrophobicContact CG2-CG2 3.96Å; T199-V236 WeakPolarHBondContact O-CB 3.48Å; T199-V236 PolarHBondContact O-N 3.16Å; Q201-V236 HydrophobicContact CB-CG2 4.49Å; Q201-V236 HydrophobicContact CG-CG2 3.64Å
237	F	82.7	Confident	91.1	Very high	70 Å²	70	37.7 Å²	37.7	31%	0.307	22%	0.219	S	C	.	.			trans	-123	154.9	179.1	-87	-96.1	0	0	0	111.3	P235 F253	P235-F237 HydrophobicContact CB-CD2 3.87Å; P235-F237 HydrophobicContact CB-CE2 3.58Å; P235-F237 HydrophobicContact CG-CD2 4.11Å; P235-F237 HydrophobicContact CG-CE2 3.79Å; F237-F253 HydrophobicContact CB-CE1 3.85Å; F237-F253 HydrophobicContact CD1-CD1 4.37Å; F237-F253 AromaticContact CD1-CE1 3.52Å; F237-F253 HydrophobicContact CD1-CE1 3.52Å; F237-F253 AromaticContact CD1-CZ 3.73Å; F237-F253 HydrophobicContact CD1-CZ 3.73Å; F237-F253 AromaticContact CD2-CD1 3.27Å; F237-F253 HydrophobicContact CD2-CD1 3.27Å; F237-F253 AromaticContact CD2-CE1 3.08Å; F237-F253 HydrophobicContact CD2-CE1 3.08Å; F237-F253 HydrophobicContact CD2-CG 4.45Å; F237-F253 HydrophobicContact CD2-CZ 4.1Å; F237-F253 HydrophobicContact CE1-CD1 4.27Å; F237-F253 AromaticContact CE1-CE1 3.72Å; F237-F253 HydrophobicContact CE1-CE1 3.72Å; F237-F253 HydrophobicContact CE1-CE2 4.44Å; F237-F253 AromaticContact CE1-CZ 3.79Å; F237-F253 HydrophobicContact CE1-CZ 3.79Å; F237-F253 AromaticContact CE2-CD1 3.09Å; F237-F253 HydrophobicContact CE2-CD1 3.09Å; F237-F253 AromaticContact CE2-CE1 3.26Å; F237-F253 HydrophobicContact CE2-CE1 3.26Å; F237-F253 AromaticContact CE2-CG 3.91Å; F237-F253 HydrophobicContact CE2-CG 3.91Å; F237-F253 HydrophobicContact CE2-CZ 4.11Å; F237-F253 AromaticContact CG-CD1 3.92Å; F237-F253 HydrophobicContact CG-CD1 3.92Å; F237-F253 AromaticContact CG-CE1 3.19Å; F237-F253 HydrophobicContact CG-CE1 3.19Å; F237-F253 AromaticContact CG-CZ 3.89Å; F237-F253 HydrophobicContact CG-CZ 3.89Å; F237-F253 AromaticContact CZ-CD1 3.66Å; F237-F253 HydrophobicContact CZ-CD1 3.66Å; F237-F253 AromaticContact CZ-CE1 3.6Å; F237-F253 HydrophobicContact CZ-CE1 3.6Å; F237-F253 HydrophobicContact CZ-CE2 4.42Å; F237-F253 HydrophobicContact CZ-CG 4.18Å; F237-F253 AromaticContact CZ-CZ 3.98Å; F237-F253 HydrophobicContact CZ-CZ 3.98Å
238	P	84.6	Confident	91	Very high	72 Å²	72	41.2 Å²	41.2	47%	0.468	24%	0.241	S	C	.	.			trans	-64.8	150.8	172.5	29.9	-36.1	0	0	0	110.9	I165 N240 L241	I165-P238 WeakPolarHBondContact CD1-O 3.13Å; P238-N240 PolarHBondContact O-N 3.42Å; P238-L241 HydrophobicContact CG-CD2 3.73Å
239	E	86.5	Confident	90.8	Very high	150 Å²	150	42 Å²	42	70%	0.701	24%	0.244	S	C	*	.	S	Bend	trans	-66.6	-24	178	-64.7	-176.8	176.6	0	0	112.8	I165	I165-E239 PolarHBondContact N-O 2.85Å
240	N	88	Confident	90.6	Very high	90 Å²	90	43.6 Å²	43.6	48%	0.481	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.4	-179.2	-61	-41.6	0	0	0	110.5	V163 P238	V163-N240 WeakPolarHBondContact O-CA 3.38Å; P238-N240 PolarHBondContact O-N 3.42Å
241	L	86.2	Confident	90.2	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.11	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.4	172.8	-66.6	174.9	0	0	0	110.3	T162 V163 I165 P238 Y251	T162-L241 CarbonylContact C-O 3.55Å; T162-L241 WeakPolarHBondContact CA-O 3.42Å; V163-L241 PolarHBondContact N-O 2.72Å; V163-L241 PolarHBondContact O-N 3.13Å; I165-L241 HydrophobicContact CD1-CD1 3.36Å; I165-L241 HydrophobicContact CD1-CD2 4.35Å; I165-L241 HydrophobicContact CD1-CG 3.56Å; I165-L241 HydrophobicContact CG1-CD1 4.1Å; I165-L241 HydrophobicContact CG1-CG 4.25Å; P238-L241 HydrophobicContact CG-CD2 3.73Å; L241-Y251 HydrophobicContact CD1-CD1 3.9Å; L241-Y251 HydrophobicContact CD1-CD2 3.76Å; L241-Y251 HydrophobicContact CD1-CE1 3.78Å; L241-Y251 HydrophobicContact CD1-CE2 3.62Å; L241-Y251 HydrophobicContact CD1-CG 3.88Å; L241-Y251 HydrophobicContact CD2-CE1 4.01Å; L241-Y251 HydrophobicContact CG-CE1 4.4Å
242	T	88.9	Confident	90	Very high	89 Å²	89	45.6 Å²	45.6	55%	0.546	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.7	175.5	45.6	0	0	0	0	110.4	T162 Q249	T162-T242 HydrophobicContact CG2-CG2 3.94Å; T242-Q249 PolarHBondContact O-OE1 3.23Å
243	V	89.8	Confident	89.7	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.4	177	-173.7	0	0	0	0	109	V153 N155 D160 N161 V163 Q249	V153-V243 HydrophobicContact CB-CG2 4.11Å; V153-V243 HydrophobicContact CG1-CG1 4.37Å; V153-V243 HydrophobicContact CG1-CG2 3.98Å; N155-V243 HydrophobicContact CB-CB 4.29Å; N155-V243 HydrophobicContact CB-CG1 3.67Å; N155-V243 PolarHBondContact ND2-O 2.91Å; N155-V243 VanDerWaalsContact ND2-O 3.08Å; D160-V243 WeakPolarHBondContact CA-O 3.04Å; N161-V243 PolarHBondContact N-O 2.86Å; N161-V243 PolarHBondContact O-N 3.17Å; V163-V243 HydrophobicContact CG2-CG2 3.8Å; V243-Q249 HydrophobicContact CG1-CB 4.47Å; V243-Q249 HydrophobicContact CG1-CG 4.28Å
244	L	92.1	Very high	89.7	Confident	91 Å²	91	45.9 Å²	45.9	48%	0.476	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-61.9	146.7	-175.3	-63.5	169	0	0	0	111.8	D160 S247	D160-L244 VanDerWaalsContact OD1-CA 3.28Å; D160-L244 WeakPolarHBondContact OD1-CA 3.41Å; L244-S247 WeakPolarHBondContact CB-OG 3.26Å; L244-S247 WeakPolarHBondContact O-CB 3.36Å; L244-S247 PolarHBondContact O-N 3.15Å; L244-S247 PolarHBondContact O-OG 3.39Å
245	S	91.6	Very high	89.7	Confident	46 Å²	46	46 Å²	46	32%	0.322	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	134.4	170.5	172.9	0	0	0	0	113	M157 D158 W159 D160 S247	M157-S245 CarbonylContact O-C 3.55Å; M157-S245 WeakPolarHBondContact O-CA 3.38Å; M157-S245 PolarHBondContact O-OG 3.05Å; D158-S245 WeakPolarHBondContact CA-OG 3.44Å; D158-S245 PolarHBondContact O-OG 3.23Å; W159-S245 PolarHBondContact N-OG 2.98Å; D160-S245 PolarHBondContact OD1-N 3.23Å; S245-S247 PolarHBondContact O-N 3.05Å
246	G	89.9	Confident	89.9	Confident	47 Å²	47	45.6 Å²	45.6	49%	0.485	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	10.8	176.6	0	0	0	0	0	115.8	N155 M157	N155-G246 CarbonylContact O-C 3.48Å; N155-G246 WeakPolarHBondContact O-CA 3.35Å; N155-G246 PolarHBondContact O-N 2.88Å; M157-G246 PolarHBondContact O-N 2.78Å
247	S	90.6	Very high	90.2	Very high	29 Å²	29	43 Å²	43	20%	0.203	25%	0.249	C	C	.	.			trans	-111.6	158.5	-170.3	81.8	0	0	0	0	113.1	Y154 N155 L244 S245	Y154-S247 WeakPolarHBondContact CD2-O 3.28Å; N155-S247 PolarHBondContact N-O 3.44Å; N155-S247 PolarHBondContact O-N 2.82Å; L244-S247 WeakPolarHBondContact CB-OG 3.26Å; L244-S247 WeakPolarHBondContact O-CB 3.36Å; L244-S247 PolarHBondContact O-N 3.15Å; L244-S247 PolarHBondContact O-OG 3.39Å; S245-S247 PolarHBondContact O-N 3.05Å
248	T	90.6	Very high	90.7	Very high	76 Å²	76	41 Å²	41	47%	0.466	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.9	165	-56.8	0	0	0	0	108.9	V153 Y154	V153-T248 CarbonylContact O-C 3.47Å; V153-T248 VanDerWaalsContact O-CA 3.3Å; V153-T248 WeakPolarHBondContact O-CA 3.2Å; Y154-T248 VanDerWaalsContact CD2-OG1 3.23Å; Y154-T248 WeakPolarHBondContact CD2-OG1 3.17Å
249	Q	90	Very high	91.2	Very high	19 Å²	19	38.7 Å²	38.7	9%	0.089	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.5	174.1	-64.6	-170.7	22.9	0	0	110.8	R152 V153 T242 V243 Y251	R152-Q249 CarbonylContact C-O 3.59Å; R152-Q249 WeakPolarHBondContact CA-O 3.35Å; V153-Q249 PolarHBondContact N-O 3.48Å; V153-Q249 PolarHBondContact O-N 2.96Å; T242-Q249 PolarHBondContact O-OE1 3.23Å; V243-Q249 HydrophobicContact CG1-CB 4.47Å; V243-Q249 HydrophobicContact CG1-CG 4.28Å; Q249-Y251 HydrophobicContact CB-CE2 3.97Å; Q249-Y251 PolarHBondContact OE1-OH 3.23Å
250	S	90	Very high	91.5	Very high	35 Å²	35	31.8 Å²	31.8	25%	0.245	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137	178.8	-58.1	0	0	0	0	110.5	F151 R152	F151-S250 CarbonylContact O-C 3.56Å; F151-S250 WeakPolarHBondContact O-CA 3.41Å; R152-S250 WeakPolarHBondContact CG-OG 3.28Å
251	Y	88.4	Confident	91.5	Very high	31 Å²	31	31.9 Å²	31.9	12%	0.122	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.6	177.5	-52.5	-83.3	0	0	0	109.5	T150 F151 L241 Q249	T150-Y251 CarbonylContact C-O 3.52Å; T150-Y251 WeakPolarHBondContact CA-O 3.37Å; F151-Y251 PolarHBondContact N-O 2.78Å; F151-Y251 PolarHBondContact O-N 3.22Å; L241-Y251 HydrophobicContact CD1-CD1 3.9Å; L241-Y251 HydrophobicContact CD1-CD2 3.76Å; L241-Y251 HydrophobicContact CD1-CE1 3.78Å; L241-Y251 HydrophobicContact CD1-CE2 3.62Å; L241-Y251 HydrophobicContact CD1-CG 3.88Å; L241-Y251 HydrophobicContact CD2-CE1 4.01Å; L241-Y251 HydrophobicContact CG-CE1 4.4Å; Q249-Y251 HydrophobicContact CB-CE2 3.97Å; Q249-Y251 PolarHBondContact OE1-OH 3.23Å
252	T	91.3	Very high	91.5	Very high	10 Å²	10	37.8 Å²	37.8	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.6	-178.5	-64.1	0	0	0	0	110	I148 E189 I254 E304	I148-T252 HydrophobicContact CG2-CG2 4.07Å; E189-T252 PolarHBondContact OE1-OG1 2.86Å; T252-I254 HydrophobicContact CG2-CD1 4.43Å; T252-I254 HydrophobicContact CG2-CG1 4Å; T252-E304 HydrophobicContact CG2-CB 3.99Å; T252-E304 HydrophobicContact CG2-CG 3.58Å
253	F	91.2	Very high	91.6	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.6	-179.9	-61.5	-104.9	0	0	0	108.1	I95 I148 Q149 F151 I165 P235 F237	I95-F253 HydrophobicContact CD1-CB 4.19Å; I95-F253 HydrophobicContact CD1-CD1 3.09Å; I95-F253 HydrophobicContact CD1-CD2 4.33Å; I95-F253 HydrophobicContact CD1-CE1 3.33Å; I95-F253 HydrophobicContact CD1-CG 3.64Å; I95-F253 HydrophobicContact CD1-CZ 4.11Å; I148-F253 WeakPolarHBondContact CA-O 3.42Å; Q149-F253 HydrophobicContact CB-CB 4.38Å; Q149-F253 PolarHBondContact N-O 2.99Å; Q149-F253 PolarHBondContact O-N 2.89Å; F151-F253 AromaticContact CD2-CD2 3.56Å; F151-F253 HydrophobicContact CD2-CD2 3.56Å; F151-F253 AromaticContact CD2-CE2 3.31Å; F151-F253 HydrophobicContact CD2-CE2 3.31Å; F151-F253 HydrophobicContact CD2-CZ 4.32Å; F151-F253 AromaticContact CE2-CD2 3.56Å; F151-F253 HydrophobicContact CE2-CD2 3.56Å; F151-F253 AromaticContact CE2-CE2 3.48Å; F151-F253 HydrophobicContact CE2-CE2 3.48Å; F151-F253 VanDerWaalsContact CE2-CE2 3.48Å; F151-F253 HydrophobicContact CE2-CG 4.43Å; F151-F253 HydrophobicContact CE2-CZ 4.23Å; I165-F253 HydrophobicContact CD1-CZ 4.23Å; P235-F253 HydrophobicContact CG-CB 4.43Å; P235-F253 HydrophobicContact CG-CD1 4.31Å; F237-F253 HydrophobicContact CB-CE1 3.85Å; F237-F253 HydrophobicContact CD1-CD1 4.37Å; F237-F253 AromaticContact CD1-CE1 3.52Å; F237-F253 HydrophobicContact CD1-CE1 3.52Å; F237-F253 AromaticContact CD1-CZ 3.73Å; F237-F253 HydrophobicContact CD1-CZ 3.73Å; F237-F253 AromaticContact CD2-CD1 3.27Å; F237-F253 HydrophobicContact CD2-CD1 3.27Å; F237-F253 AromaticContact CD2-CE1 3.08Å; F237-F253 HydrophobicContact CD2-CE1 3.08Å; F237-F253 HydrophobicContact CD2-CG 4.45Å; F237-F253 HydrophobicContact CD2-CZ 4.1Å; F237-F253 HydrophobicContact CE1-CD1 4.27Å; F237-F253 AromaticContact CE1-CE1 3.72Å; F237-F253 HydrophobicContact CE1-CE1 3.72Å; F237-F253 HydrophobicContact CE1-CE2 4.44Å; F237-F253 AromaticContact CE1-CZ 3.79Å; F237-F253 HydrophobicContact CE1-CZ 3.79Å; F237-F253 AromaticContact CE2-CD1 3.09Å; F237-F253 HydrophobicContact CE2-CD1 3.09Å; F237-F253 AromaticContact CE2-CE1 3.26Å; F237-F253 HydrophobicContact CE2-CE1 3.26Å; F237-F253 AromaticContact CE2-CG 3.91Å; F237-F253 HydrophobicContact CE2-CG 3.91Å; F237-F253 HydrophobicContact CE2-CZ 4.11Å; F237-F253 AromaticContact CG-CD1 3.92Å; F237-F253 HydrophobicContact CG-CD1 3.92Å; F237-F253 AromaticContact CG-CE1 3.19Å; F237-F253 HydrophobicContact CG-CE1 3.19Å; F237-F253 AromaticContact CG-CZ 3.89Å; F237-F253 HydrophobicContact CG-CZ 3.89Å; F237-F253 AromaticContact CZ-CD1 3.66Å; F237-F253 HydrophobicContact CZ-CD1 3.66Å; F237-F253 AromaticContact CZ-CE1 3.6Å; F237-F253 HydrophobicContact CZ-CE1 3.6Å; F237-F253 HydrophobicContact CZ-CE2 4.42Å; F237-F253 HydrophobicContact CZ-CG 4.18Å; F237-F253 AromaticContact CZ-CZ 3.98Å; F237-F253 HydrophobicContact CZ-CZ 3.98Å
254	I	94.7	Very high	91.8	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.7	179.2	-51.2	-177.9	0	0	0	107.9	L146 I148 Y200 P235 T252 L296 A299 L300 L307	L146-I254 HydrophobicContact CD2-CG2 4.03Å; I148-I254 HydrophobicContact CG1-CG1 4.4Å; I148-I254 HydrophobicContact CG1-CG2 4.39Å; Y200-I254 WeakPolarHBondContact CE1-O 3.31Å; Y200-I254 PolarHBondContact OH-O 3.48Å; P235-I254 WeakPolarHBondContact CD-O 3.33Å; T252-I254 HydrophobicContact CG2-CD1 4.43Å; T252-I254 HydrophobicContact CG2-CG1 4Å; I254-L296 HydrophobicContact CB-CD1 4.1Å; I254-L296 HydrophobicContact CG2-CD1 3.61Å; I254-A299 HydrophobicContact CD1-CB 4.09Å; I254-A299 HydrophobicContact CG2-CB 4.44Å; I254-L300 HydrophobicContact CD1-CD2 4.14Å; I254-L307 HydrophobicContact CD1-CD1 4.26Å
255	T	94.9	Very high	91.8	Very high	13 Å²	13	36.1 Å²	36.1	8%	0.08	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.5	176	-56.1	0	0	0	0	108.8	L147 V232 F233 I257	L147-T255 PolarHBondContact N-O 2.82Å; L147-T255 PolarHBondContact O-N 3.01Å; V232-T255 HydrophobicContact CG1-CG2 4.15Å; F233-T255 CarbonylContact O-C 3.59Å; F233-T255 WeakPolarHBondContact O-CA 3.42Å; F233-T255 WeakPolarHBondContact O-CG2 3.41Å; T255-I257 HydrophobicContact CG2-CD1 3.75Å; T255-I257 HydrophobicContact CG2-CG1 3.95Å
256	G	95.8	Very high	91.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.2	176.1	0	0	0	0	0	111	S145 V232 F233	S145-G256 CarbonylContact O-C 3.48Å; S145-G256 VanDerWaalsContact O-CA 3.29Å; S145-G256 WeakPolarHBondContact O-CA 3.28Å; V232-G256 CarbonylContact C-O 3.43Å; V232-G256 WeakPolarHBondContact CA-O 3.27Å; F233-G256 PolarHBondContact N-O 3.11Å; F233-G256 PolarHBondContact O-N 2.96Å
257	I	95.5	Very high	92	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128	179.7	-59.3	137.4	0	0	0	109.5	L68 I77 S145 V230 V231 V232 T255 I259	L68-I257 HydrophobicContact CD2-CB 4.12Å; L68-I257 HydrophobicContact CD2-CD1 4.32Å; I77-I257 HydrophobicContact CD1-CD1 3.42Å; I77-I257 VanDerWaalsContact CD1-CD1 3.42Å; I77-I257 HydrophobicContact CD1-CG1 4.24Å; I77-I257 HydrophobicContact CG1-CD1 4.28Å; I77-I257 HydrophobicContact CG2-CD1 4.39Å; S145-I257 VanDerWaalsContact CA-O 3.3Å; S145-I257 WeakPolarHBondContact CA-O 3.45Å; S145-I257 PolarHBondContact O-N 3.43Å; V230-I257 HydrophobicContact CG1-CG2 4.37Å; V231-I257 WeakPolarHBondContact O-CA 3.44Å; V232-I257 HydrophobicContact CB-CG1 4.45Å; V232-I257 HydrophobicContact CG1-CG1 3.95Å; V232-I257 HydrophobicContact CG2-CG1 4.16Å; V232-I257 HydrophobicContact CG2-CG2 4.34Å; T255-I257 HydrophobicContact CG2-CD1 3.75Å; T255-I257 HydrophobicContact CG2-CG1 3.95Å; I257-I259 HydrophobicContact CG2-CG1 4.46Å
258	R	95.1	Very high	92	Very high	28 Å²	28	35.7 Å²	35.7	11%	0.106	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.4	172.3	-77.6	-67.2	-160.9	155.4	5.9	111.5	P144 S145 V231 L288 L291 I292 E295	P144-R258 VanDerWaalsContact CB-NH2 3.32Å; P144-R258 VanDerWaalsContact CG-NH2 3.35Å; S145-R258 WeakPolarHBondContact OG-CD 3.44Å; S145-R258 VanDerWaalsContact OG-CG 3.24Å; S145-R258 WeakPolarHBondContact OG-CG 3.46Å; S145-R258 PolarHBondContact OG-NE 2.91Å; V231-R258 PolarHBondContact N-O 3.26Å; V231-R258 PolarHBondContact O-N 3.02Å; R258-L288 HydrophobicContact CB-CB 4.12Å; R258-L288 HydrophobicContact CB-CD2 4.06Å; R258-L291 HydrophobicContact CG-CB 4.44Å; R258-I292 HydrophobicContact CB-CD1 3.8Å; R258-I292 HydrophobicContact CB-CG1 3.63Å; R258-I292 HydrophobicContact CG-CD1 4.14Å; R258-I292 HydrophobicContact CG-CG1 3.39Å; R258-E295 IonicContact CZ-OE1 3.61Å; R258-E295 IonicContact NE-OE1 3.1Å; R258-E295 IonicContact NH2-OE1 2.69Å; R258-E295 PolarHBondContact NH2-OE1 2.79Å; R258-E295 IonicContact NH2-OE2 3.35Å
259	I	93.2	Very high	92	Very high	22 Å²	22	36.5 Å²	36.5	11%	0.113	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.4	-169.1	-51.4	172.4	0	0	0	107.6	I79 L228 V229 V230 I257 D261 L288	I79-I259 HydrophobicContact CB-CD1 3.19Å; I79-I259 HydrophobicContact CD1-CD1 3.75Å; I79-I259 HydrophobicContact CG1-CD1 3.99Å; I79-I259 HydrophobicContact CG2-CD1 3.16Å; L228-I259 HydrophobicContact CB-CG2 4.14Å; L228-I259 HydrophobicContact CD2-CG2 4.37Å; V229-I259 CarbonylContact O-C 3.59Å; V229-I259 VanDerWaalsContact O-CA 3.24Å; V229-I259 WeakPolarHBondContact O-CA 3.49Å; V230-I259 HydrophobicContact CG1-CG1 4.21Å; V230-I259 HydrophobicContact CG2-CG1 4.09Å; V230-I259 HydrophobicContact CG2-CG2 4.08Å; I257-I259 HydrophobicContact CG2-CG1 4.46Å; I259-D261 PolarHBondContact O-N 2.86Å; I259-L288 WeakPolarHBondContact O-CD2 3.25Å
260	S	93.4	Very high	92.2	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.035	19%	0.186	C	C	.	.			trans	-55.7	129.7	174.4	54.7	0	0	0	0	110.9	L228 V229 Q262 E284	L228-S260 WeakPolarHBondContact CA-OG 3.35Å; L228-S260 WeakPolarHBondContact CD2-OG 3.48Å; V229-S260 PolarHBondContact N-OG 3.4Å; V229-S260 VanDerWaalsContact N-OG 3.07Å; V229-S260 PolarHBondContact O-N 3.45Å; S260-Q262 PolarHBondContact O-N 2.87Å; S260-Q262 PolarHBondContact OG-O 3.39Å; S260-E284 WeakPolarHBondContact CA-OE1 3.4Å; S260-E284 WeakPolarHBondContact CB-OE1 3.48Å
261	D	87.4	Confident	92.3	Very high	92 Å²	92	36.5 Å²	36.5	49%	0.492	18%	0.182	S	C	.	.	S	Bend	trans	-63.1	-27.1	-175.2	-59.6	-57.1	0	0	0	112.6	I259 R287	I259-D261 PolarHBondContact O-N 2.86Å; D261-R287 IonicContact OD2-CZ 3.62Å; D261-R287 IonicContact OD2-NH1 2.75Å; D261-R287 PolarHBondContact OD2-NH1 3.5Å; D261-R287 IonicContact OD2-NH2 3.94Å; D261-R287 PolarHBondContact OD2-NH2 3.01Å
262	Q	87.7	Confident	92.4	Very high	145 Å²	145	39.4 Å²	39.4	68%	0.678	20%	0.199	S	C	*	.	S	Bend	trans	-133.1	147.6	175.5	-65.3	-61	-42	0	0	110.2	S260	S260-Q262 PolarHBondContact O-N 2.87Å; S260-Q262 PolarHBondContact OG-O 3.39Å
263	P	90.8	Very high	92.5	Very high	37 Å²	37	41.8 Å²	41.8	24%	0.24	21%	0.209	C	C	.	.			trans	-63.9	141.1	172	-19.8	31.5	0	0	0	112.5	L209 K226 V227 L228	L209-P263 HydrophobicContact CD1-CB 3.84Å; L209-P263 HydrophobicContact CD1-CG 3.69Å; K226-P263 HydrophobicContact CD-CB 4.02Å; K226-P263 HydrophobicContact CG-CB 3.62Å; V227-P263 CarbonylContact O-C 3.54Å; V227-P263 WeakPolarHBondContact O-CA 3.47Å; L228-P263 HydrophobicContact CD2-CB 4.21Å; L228-P263 HydrophobicContact CD2-CG 4.01Å
264	I	93.4	Very high	92.6	Very high	32 Å²	32	42 Å²	42	16%	0.164	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.5	-177.6	-57.9	179.1	0	0	0	109	K226 V227 V229 I266 H280 L281 E284	K226-I264 CarbonylContact C-O 3.53Å; K226-I264 WeakPolarHBondContact CA-O 3.37Å; V227-I264 HydrophobicContact CG2-CB 4.44Å; V227-I264 PolarHBondContact N-O 3.07Å; V227-I264 PolarHBondContact O-N 3.43Å; V229-I264 HydrophobicContact CG2-CD1 4.09Å; I264-I266 HydrophobicContact CG2-CG2 4.03Å; I264-H280 VanDerWaalsContact CG2-CD2 3.46Å; I264-H280 WeakPolarHBondContact CG2-CD2 3.49Å; I264-H280 WeakPolarHBondContact CG2-NE2 3.43Å; I264-L281 HydrophobicContact CB-CD2 4.43Å; I264-L281 HydrophobicContact CD1-CD2 4.14Å; I264-L281 HydrophobicContact CG2-CD2 4.05Å; I264-E284 HydrophobicContact CD1-CB 4.16Å; I264-E284 HydrophobicContact CD1-CG 3.94Å
265	L	92.5	Very high	92.4	Very high	78 Å²	78	49.7 Å²	49.7	41%	0.408	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.4	171.3	-61.8	172.4	0	0	0	108.6	L211 F215 V223 K226	L211-L265 HydrophobicContact CD2-CD2 4.14Å; F215-L265 HydrophobicContact CE2-CD1 4.42Å; F215-L265 HydrophobicContact CE2-CD2 4.29Å; F215-L265 HydrophobicContact CZ-CD1 3.72Å; F215-L265 HydrophobicContact CZ-CD2 3.9Å; F215-L265 HydrophobicContact CZ-CG 4.45Å; V223-L265 HydrophobicContact CG1-CB 3.99Å; V223-L265 HydrophobicContact CG1-CD2 4.1Å; V223-L265 HydrophobicContact CG2-CB 4.43Å; K226-L265 HydrophobicContact CB-CD2 4.01Å; K226-L265 HydrophobicContact CD-CD2 4.33Å; K226-L265 HydrophobicContact CG-CD2 4.08Å
266	I	92.5	Very high	92.3	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.2	-174.9	58.7	162.1	0	0	0	111.3	V223 I224 A225 V227 I264 D270 L271 L281	V223-I266 WeakPolarHBondContact CA-O 3.32Å; I224-I266 HydrophobicContact CG1-CG1 4.35Å; I224-I266 VanDerWaalsContact CG1-O 3.28Å; I224-I266 WeakPolarHBondContact CG1-O 3.35Å; I224-I266 PolarHBondContact N-O 2.79Å; A225-I266 HydrophobicContact CB-CD1 3.97Å; A225-I266 HydrophobicContact CB-CG1 3.82Å; A225-I266 PolarHBondContact N-O 2.86Å; A225-I266 VanDerWaalsContact O-CG1 3.27Å; A225-I266 WeakPolarHBondContact O-CG1 3.43Å; A225-I266 PolarHBondContact O-N 3.26Å; V227-I266 HydrophobicContact CB-CD1 4.46Å; V227-I266 HydrophobicContact CG1-CD1 3.54Å; V227-I266 HydrophobicContact CG1-CG1 4.05Å; V227-I266 HydrophobicContact CG2-CD1 4.05Å; V227-I266 HydrophobicContact CG2-CG1 4.21Å; V227-I266 HydrophobicContact CG2-CG2 3.64Å; I264-I266 HydrophobicContact CG2-CG2 4.03Å; I266-D270 HydrophobicContact CB-CB 4.44Å; I266-L271 HydrophobicContact CD1-CD1 4.32Å; I266-L271 HydrophobicContact CD1-CD2 3.74Å; I266-L271 HydrophobicContact CD1-CG 4.01Å; I266-L281 HydrophobicContact CG2-CD1 3.9Å; I266-L281 HydrophobicContact CG2-CD2 3.86Å; I266-L281 HydrophobicContact CG2-CG 4.18Å
267	T	92.9	Very high	92	Very high	11 Å²	11	57.4 Å²	57.4	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	169.2	169.9	68	0	0	0	0	110	N221 V223 H269 D270 L271	N221-T267 HydrophobicContact CB-CG2 4.47Å; N221-T267 PolarHBondContact ND2-OG1 3.49Å; N221-T267 VanDerWaalsContact ND2-OG1 3.11Å; N221-T267 WeakPolarHBondContact OD1-CB 3.19Å; N221-T267 PolarHBondContact OD1-OG1 2.66Å; V223-T267 HydrophobicContact CG2-CG2 4.45Å; T267-H269 PolarHBondContact O-N 2.84Å; T267-D270 WeakPolarHBondContact CB-OD2 3.34Å; T267-D270 PolarHBondContact N-OD2 2.82Å; T267-D270 PolarHBondContact O-N 3.09Å; T267-D270 VanDerWaalsContact O-N 3.14Å; T267-D270 VanDerWaalsContact OG1-CG 3.24Å; T267-D270 PolarHBondContact OG1-N 3.06Å; T267-D270 PolarHBondContact OG1-OD2 2.9Å; T267-L271 PolarHBondContact O-N 3.18Å
268	E	90.9	Very high	91.8	Very high	99 Å²	99	62.3 Å²	62.3	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-36.8	175.7	-171.4	61.4	-156.4	0	0	111.4	I224 D270 L271 I272	I224-E268 HydrophobicContact CD1-CB 4.4Å; I224-E268 WeakPolarHBondContact CD1-OE2 3.46Å; E268-D270 VanDerWaalsContact C-N 3.29Å; E268-D270 PolarHBondContact O-N 3.03Å; E268-L271 PolarHBondContact O-N 3.37Å; E268-I272 HydrophobicContact CG-CD1 4.3Å; E268-I272 WeakPolarHBondContact O-CG1 3.17Å; E268-I272 PolarHBondContact O-N 2.98Å
269	H	91	Very high	91.8	Very high	92 Å²	92	62.6 Å²	62.6	43%	0.426	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-39.2	175.7	175.3	-97	0	0	0	112.3	T267 L271 I272 Q273	T267-H269 PolarHBondContact O-N 2.84Å; H269-L271 VanDerWaalsContact C-N 3.35Å; H269-L271 PolarHBondContact O-N 2.66Å; H269-I272 PolarHBondContact O-N 2.86Å; H269-Q273 PolarHBondContact CE1-NE2 2.68Å; H269-Q273 WeakPolarHBondContact O-CG 3.37Å; H269-Q273 PolarHBondContact O-N 3.39Å
270	D	93.6	Very high	91.7	Very high	21 Å²	21	65 Å²	65	11%	0.112	34%	0.338	C	S	.	.	H	α-helix	trans	-68	-36.1	179.5	-57.4	-53.2	0	0	0	112	I266 T267 E268 Q273 F274 H280	I266-D270 HydrophobicContact CB-CB 4.44Å; T267-D270 WeakPolarHBondContact CB-OD2 3.34Å; T267-D270 PolarHBondContact N-OD2 2.82Å; T267-D270 PolarHBondContact O-N 3.09Å; T267-D270 VanDerWaalsContact O-N 3.14Å; T267-D270 VanDerWaalsContact OG1-CG 3.24Å; T267-D270 PolarHBondContact OG1-N 3.06Å; T267-D270 PolarHBondContact OG1-OD2 2.9Å; E268-D270 VanDerWaalsContact C-N 3.29Å; E268-D270 PolarHBondContact O-N 3.03Å; D270-Q273 PolarHBondContact O-N 3.37Å; D270-F274 VanDerWaalsContact O-CB 3.3Å; D270-F274 WeakPolarHBondContact O-CB 3.47Å; D270-F274 PolarHBondContact O-N 3.14Å; D270-H280 IonicContact OD1-CE1 2.81Å; D270-H280 PolarHBondContact OD1-CE1 3.15Å; D270-H280 IonicContact OD1-ND1 3.98Å; D270-H280 PolarHBondContact OD1-ND1 3.46Å; D270-H280 IonicContact OD2-CE1 3.69Å
271	L	91.5	Very high	91.8	Very high	33 Å²	33	64.8 Å²	64.8	17%	0.173	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-39.9	173.4	-72.1	-179.3	0	0	0	112	L206 I224 I266 T267 E268 H269 F274 K275 L281	L206-L271 HydrophobicContact CD1-CD2 4.01Å; I224-L271 HydrophobicContact CD1-CD1 3.46Å; I224-L271 VanDerWaalsContact CD1-CD1 3.46Å; I224-L271 HydrophobicContact CD1-CG 4.24Å; I266-L271 HydrophobicContact CD1-CD1 4.32Å; I266-L271 HydrophobicContact CD1-CD2 3.74Å; I266-L271 HydrophobicContact CD1-CG 4.01Å; T267-L271 PolarHBondContact O-N 3.18Å; E268-L271 PolarHBondContact O-N 3.37Å; H269-L271 VanDerWaalsContact C-N 3.35Å; H269-L271 PolarHBondContact O-N 2.66Å; L271-F274 PolarHBondContact O-N 3.31Å; L271-K275 WeakPolarHBondContact O-CG 3.08Å; L271-K275 PolarHBondContact O-N 3.13Å; L271-K275 VanDerWaalsContact O-N 3.09Å; L271-L281 HydrophobicContact CD2-CD1 4.46Å
272	I	91.7	Very high	92.2	Very high	93 Å²	93	60.6 Å²	60.6	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-46.4	176	-65.6	166.1	0	0	0	110.1	E268 H269 F274 K275	E268-I272 HydrophobicContact CG-CD1 4.3Å; E268-I272 WeakPolarHBondContact O-CG1 3.17Å; E268-I272 PolarHBondContact O-N 2.98Å; H269-I272 PolarHBondContact O-N 2.86Å; I272-F274 VanDerWaalsContact C-N 3.31Å; I272-F274 PolarHBondContact O-N 2.85Å; I272-K275 PolarHBondContact O-N 3.19Å
273	Q	92.6	Very high	92.6	Very high	60 Å²	60	61.6 Å²	61.6	28%	0.28	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-42.1	175.3	-73.4	-166.6	-28.7	0	0	111.8	H269 D270 K275 S276 D277 L278	H269-Q273 PolarHBondContact CE1-NE2 2.68Å; H269-Q273 WeakPolarHBondContact O-CG 3.37Å; H269-Q273 PolarHBondContact O-N 3.39Å; D270-Q273 PolarHBondContact O-N 3.37Å; Q273-K275 PolarHBondContact O-N 3.44Å; Q273-S276 CarbonylContact O-C 3.29Å; Q273-S276 WeakPolarHBondContact O-CA 3.39Å; Q273-S276 PolarHBondContact O-N 2.87Å; Q273-D277 PolarHBondContact O-N 2.87Å; Q273-L278 CarbonylContact C-O 3.56Å; Q273-L278 VanDerWaalsContact C-O 3.29Å; Q273-L278 HydrophobicContact CB-CB 4.25Å; Q273-L278 WeakPolarHBondContact O-CA 3.19Å; Q273-L278 PolarHBondContact O-N 3.17Å
274	F	93.9	Very high	92.9	Very high	7 Å²	7	61.4 Å²	61.4	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-35.8	-178.8	-174.7	-131.4	0	0	0	113.2	V177 L206 D270 L271 I272 S276 D277 L278 L281 A282 R285	V177-F274 HydrophobicContact CB-CE1 4.12Å; V177-F274 HydrophobicContact CG1-CD1 4.13Å; V177-F274 HydrophobicContact CG1-CE1 3.59Å; V177-F274 HydrophobicContact CG1-CZ 4.34Å; V177-F274 HydrophobicContact CG2-CE1 4.22Å; L206-F274 HydrophobicContact CD1-CD1 3.96Å; L206-F274 HydrophobicContact CD1-CE1 3.8Å; L206-F274 HydrophobicContact CD2-CE1 4.13Å; L206-F274 HydrophobicContact CG-CE1 4.06Å; D270-F274 VanDerWaalsContact O-CB 3.3Å; D270-F274 WeakPolarHBondContact O-CB 3.47Å; D270-F274 PolarHBondContact O-N 3.14Å; L271-F274 PolarHBondContact O-N 3.31Å; I272-F274 VanDerWaalsContact C-N 3.31Å; I272-F274 PolarHBondContact O-N 2.85Å; F274-S276 PolarHBondContact O-N 3.45Å; F274-D277 PolarHBondContact O-N 3.36Å; F274-L278 PolarHBondContact N-O 3.11Å; F274-L281 HydrophobicContact CB-CB 4.06Å; F274-L281 HydrophobicContact CB-CD1 3.95Å; F274-L281 HydrophobicContact CD1-CB 4.41Å; F274-L281 HydrophobicContact CD1-CD1 4.19Å; F274-L281 HydrophobicContact CD2-CB 3.59Å; F274-L281 HydrophobicContact CE2-CB 4.09Å; F274-L281 HydrophobicContact CG-CB 3.77Å; F274-L281 HydrophobicContact CG-CD1 4.06Å; F274-A282 HydrophobicContact CD2-CB 4.09Å; F274-A282 HydrophobicContact CE2-CB 4.48Å; F274-R285 HydrophobicContact CE2-CB 4.39Å
275	K	90.2	Very high	93	Very high	168 Å²	168	60.9 Å²	60.9	73%	0.73	31%	0.309	S	S	*	.	H	α-helix	trans	-60	-28.1	172	-73.4	176.8	-176.6	174.8	0	112.8	L271 I272 Q273	L271-K275 WeakPolarHBondContact O-CG 3.08Å; L271-K275 PolarHBondContact O-N 3.13Å; L271-K275 VanDerWaalsContact O-N 3.09Å; I272-K275 PolarHBondContact O-N 3.19Å; Q273-K275 PolarHBondContact O-N 3.44Å
276	S	91.7	Very high	93.3	Very high	79 Å²	79	61 Å²	61	55%	0.552	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	14.6	175.3	-56.9	0	0	0	0	112.9	Q273 F274 L278	Q273-S276 CarbonylContact O-C 3.29Å; Q273-S276 WeakPolarHBondContact O-CA 3.39Å; Q273-S276 PolarHBondContact O-N 2.87Å; F274-S276 PolarHBondContact O-N 3.45Å; S276-L278 PolarHBondContact O-N 3.35Å
277	D	90.1	Very high	93.5	Very high	96 Å²	96	64.9 Å²	64.9	51%	0.513	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	28.5	-176.4	-64.7	-40.8	0	0	0	114.5	Q273 F274 A282 R285	Q273-D277 PolarHBondContact O-N 2.87Å; F274-D277 PolarHBondContact O-N 3.36Å; D277-A282 VanDerWaalsContact O-CB 3.25Å; D277-A282 WeakPolarHBondContact O-CB 3.48Å; D277-R285 VanDerWaalsContact CG-NH2 3.28Å; D277-R285 IonicContact OD1-CZ 3.07Å; D277-R285 IonicContact OD1-NH1 3.82Å; D277-R285 PolarHBondContact OD1-NH1 3.48Å; D277-R285 IonicContact OD1-NH2 3.6Å; D277-R285 PolarHBondContact OD1-NH2 2.9Å
278	L	92.6	Very high	93.7	Very high	108 Å²	108	64.4 Å²	64.4	57%	0.565	32%	0.324	S	S	*	.			trans	-114.7	170.6	178.9	-66.2	171.7	0	0	0	111.8	Q273 F274 S276 A282	Q273-L278 CarbonylContact C-O 3.56Å; Q273-L278 VanDerWaalsContact C-O 3.29Å; Q273-L278 HydrophobicContact CB-CB 4.25Å; Q273-L278 WeakPolarHBondContact O-CA 3.19Å; Q273-L278 PolarHBondContact O-N 3.17Å; F274-L278 PolarHBondContact N-O 3.11Å; S276-L278 PolarHBondContact O-N 3.35Å; L278-A282 WeakPolarHBondContact O-CB 3.46Å
279	G	93.3	Very high	94	Very high	33 Å²	33	60.7 Å²	60.7	34%	0.34	31%	0.307	S	S	.	.	H	α-helix	trans	81.7	-172.6	175.1	0	0	0	0	0	114	A282 K283	G279-A282 PolarHBondContact O-N 3.49Å; G279-K283 PolarHBondContact O-N 3.32Å; G279-K283 VanDerWaalsContact O-N 3.16Å
280	H	92.3	Very high	94.3	Very high	73 Å²	73	59.6 Å²	59.6	34%	0.338	31%	0.309	S	S	.	.	H	α-helix	trans	-72.2	-31.8	-171.7	66.4	-97	0	0	0	112.9	I264 D270 K283 E284	I264-H280 VanDerWaalsContact CG2-CD2 3.46Å; I264-H280 WeakPolarHBondContact CG2-CD2 3.49Å; I264-H280 WeakPolarHBondContact CG2-NE2 3.43Å; D270-H280 IonicContact OD1-CE1 2.81Å; D270-H280 PolarHBondContact OD1-CE1 3.15Å; D270-H280 IonicContact OD1-ND1 3.98Å; D270-H280 PolarHBondContact OD1-ND1 3.46Å; D270-H280 IonicContact OD2-CE1 3.69Å; H280-K283 PolarHBondContact O-N 2.99Å; H280-E284 WeakPolarHBondContact O-CB 3.5Å; H280-E284 PolarHBondContact O-N 3.38Å
281	L	95.4	Very high	94.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-42.2	175.2	-67.8	176.9	0	0	0	111.9	V227 V229 I264 I266 L271 F274 E284 R285	V227-L281 HydrophobicContact CG2-CD2 4.2Å; V229-L281 HydrophobicContact CG2-CD2 3.86Å; I264-L281 HydrophobicContact CB-CD2 4.43Å; I264-L281 HydrophobicContact CD1-CD2 4.14Å; I264-L281 HydrophobicContact CG2-CD2 4.05Å; I266-L281 HydrophobicContact CG2-CD1 3.9Å; I266-L281 HydrophobicContact CG2-CD2 3.86Å; I266-L281 HydrophobicContact CG2-CG 4.18Å; L271-L281 HydrophobicContact CD2-CD1 4.46Å; F274-L281 HydrophobicContact CB-CB 4.06Å; F274-L281 HydrophobicContact CB-CD1 3.95Å; F274-L281 HydrophobicContact CD1-CB 4.41Å; F274-L281 HydrophobicContact CD1-CD1 4.19Å; F274-L281 HydrophobicContact CD2-CB 3.59Å; F274-L281 HydrophobicContact CE2-CB 4.09Å; F274-L281 HydrophobicContact CG-CB 3.77Å; F274-L281 HydrophobicContact CG-CD1 4.06Å; L281-E284 PolarHBondContact O-N 3.48Å; L281-R285 PolarHBondContact O-N 3.36Å
282	A	95.7	Very high	94.6	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-41.5	175.7	0	0	0	0	0	111.4	F274 D277 L278 G279 E284 R285 T286	F274-A282 HydrophobicContact CD2-CB 4.09Å; F274-A282 HydrophobicContact CE2-CB 4.48Å; D277-A282 VanDerWaalsContact O-CB 3.25Å; D277-A282 WeakPolarHBondContact O-CB 3.48Å; L278-A282 WeakPolarHBondContact O-CB 3.46Å; G279-A282 PolarHBondContact O-N 3.49Å; A282-E284 VanDerWaalsContact C-N 3.33Å; A282-E284 PolarHBondContact O-N 3.49Å; A282-R285 PolarHBondContact O-N 2.88Å; A282-T286 PolarHBondContact O-N 3.03Å; A282-T286 PolarHBondContact O-OG1 3.46Å
283	K	96	Very high	94.7	Very high	166 Å²	166	57.2 Å²	57.2	72%	0.722	30%	0.301	S	S	*	.	H	α-helix	trans	-59.5	-43.5	174	-173.6	-178.4	179.6	-177.7	0	111.7	G279 H280 T286 R287	G279-K283 PolarHBondContact O-N 3.32Å; G279-K283 VanDerWaalsContact O-N 3.16Å; H280-K283 PolarHBondContact O-N 2.99Å; K283-T286 PolarHBondContact O-N 3.49Å; K283-R287 PolarHBondContact O-N 2.97Å
284	E	96.6	Very high	94.7	Very high	33 Å²	33	57.7 Å²	57.7	15%	0.154	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-44.8	177.8	-176.6	66.5	173.1	0	0	111.7	V229 S260 I264 H280 L281 A282 T286 R287 L288	V229-E284 HydrophobicContact CB-CG 4.25Å; V229-E284 HydrophobicContact CG2-CG 4.17Å; S260-E284 WeakPolarHBondContact CA-OE1 3.4Å; S260-E284 WeakPolarHBondContact CB-OE1 3.48Å; I264-E284 HydrophobicContact CD1-CB 4.16Å; I264-E284 HydrophobicContact CD1-CG 3.94Å; H280-E284 WeakPolarHBondContact O-CB 3.5Å; H280-E284 PolarHBondContact O-N 3.38Å; L281-E284 PolarHBondContact O-N 3.48Å; A282-E284 VanDerWaalsContact C-N 3.33Å; A282-E284 PolarHBondContact O-N 3.49Å; E284-T286 VanDerWaalsContact C-N 3.32Å; E284-T286 PolarHBondContact O-N 3.3Å; E284-R287 WeakPolarHBondContact O-CB 3.33Å; E284-R287 PolarHBondContact O-N 3.46Å; E284-R287 VanDerWaalsContact O-N 3.13Å; E284-R287 IonicContact OE1-CZ 2.74Å; E284-R287 IonicContact OE1-NE 2.9Å; E284-R287 PolarHBondContact OE1-NE 2.95Å; E284-R287 IonicContact OE1-NH2 2.9Å; E284-R287 PolarHBondContact OE1-NH2 3.43Å; E284-R287 IonicContact OE2-CZ 2.72Å; E284-R287 IonicContact OE2-NE 2.68Å; E284-R287 PolarHBondContact OE2-NE 2.99Å; E284-R287 IonicContact OE2-NH2 2.72Å; E284-L288 HydrophobicContact CG-CD1 4.25Å; E284-L288 HydrophobicContact CG-CG 4.44Å; E284-L288 WeakPolarHBondContact O-CG 3.26Å; E284-L288 PolarHBondContact O-N 3.48Å
285	R	97.1	Very high	94.7	Very high	21 Å²	21	58.5 Å²	58.5	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-52.8	-50.7	172.6	179.8	-172.9	66.5	-170.2	-3.7	111	C204 V229 V231 F274 D277 L281 A282 R287 L288 E289	C204-R285 HydrophobicContact CB-CG 4.15Å; V229-R285 HydrophobicContact CG1-CB 4.36Å; V231-R285 HydrophobicContact CG2-CG 4.03Å; F274-R285 HydrophobicContact CE2-CB 4.39Å; D277-R285 VanDerWaalsContact CG-NH2 3.28Å; D277-R285 IonicContact OD1-CZ 3.07Å; D277-R285 IonicContact OD1-NH1 3.82Å; D277-R285 PolarHBondContact OD1-NH1 3.48Å; D277-R285 IonicContact OD1-NH2 3.6Å; D277-R285 PolarHBondContact OD1-NH2 2.9Å; L281-R285 PolarHBondContact O-N 3.36Å; A282-R285 PolarHBondContact O-N 2.88Å; R285-R287 VanDerWaalsContact C-N 3.3Å; R285-R287 PolarHBondContact O-N 2.93Å; R285-L288 PolarHBondContact O-N 2.9Å; R285-E289 HydrophobicContact CG-CG 4.35Å; R285-E289 WeakPolarHBondContact CG-OE1 3.38Å; R285-E289 IonicContact NE-OE1 3.55Å; R285-E289 WeakPolarHBondContact O-CB 3.35Å; R285-E289 VanDerWaalsContact O-CG 3.3Å; R285-E289 WeakPolarHBondContact O-CG 3.41Å; R285-E289 PolarHBondContact O-N 2.93Å
286	T	96.9	Very high	94.9	Very high	80 Å²	80	50.5 Å²	50.5	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-37	179.6	-57.8	0	0	0	0	112.3	A282 K283 E284 S290	A282-T286 PolarHBondContact O-N 3.03Å; A282-T286 PolarHBondContact O-OG1 3.46Å; K283-T286 PolarHBondContact O-N 3.49Å; E284-T286 VanDerWaalsContact C-N 3.32Å; E284-T286 PolarHBondContact O-N 3.3Å; T286-S290 PolarHBondContact O-N 3.43Å
287	R	97.3	Very high	94.9	Very high	85 Å²	85	50.6 Å²	50.6	32%	0.321	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-45.7	174.1	-172.8	-169.4	72.9	94.2	-5.5	111.7	D261 K283 E284 R285 S290 L291	D261-R287 IonicContact OD2-CZ 3.62Å; D261-R287 IonicContact OD2-NH1 2.75Å; D261-R287 PolarHBondContact OD2-NH1 3.5Å; D261-R287 IonicContact OD2-NH2 3.94Å; D261-R287 PolarHBondContact OD2-NH2 3.01Å; K283-R287 PolarHBondContact O-N 2.97Å; E284-R287 WeakPolarHBondContact O-CB 3.33Å; E284-R287 PolarHBondContact O-N 3.46Å; E284-R287 VanDerWaalsContact O-N 3.13Å; E284-R287 IonicContact OE1-CZ 2.74Å; E284-R287 IonicContact OE1-NE 2.9Å; E284-R287 PolarHBondContact OE1-NE 2.95Å; E284-R287 IonicContact OE1-NH2 2.9Å; E284-R287 PolarHBondContact OE1-NH2 3.43Å; E284-R287 IonicContact OE2-CZ 2.72Å; E284-R287 IonicContact OE2-NE 2.68Å; E284-R287 PolarHBondContact OE2-NE 2.99Å; E284-R287 IonicContact OE2-NH2 2.72Å; R285-R287 VanDerWaalsContact C-N 3.3Å; R285-R287 PolarHBondContact O-N 2.93Å; R287-S290 PolarHBondContact O-N 3.07Å; R287-S290 PolarHBondContact O-OG 3.09Å; R287-L291 WeakPolarHBondContact O-CG 3.3Å; R287-L291 PolarHBondContact O-N 3.47Å
288	L	97.3	Very high	94.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-40.4	178.7	-62.7	175.4	0	0	0	111.3	V229 V231 R258 I259 E284 R285 S290 L291 I292	V229-L288 HydrophobicContact CB-CD1 4.03Å; V229-L288 HydrophobicContact CG1-CD1 3.9Å; V229-L288 WeakPolarHBondContact O-CD1 3.37Å; V231-L288 HydrophobicContact CB-CB 4.2Å; V231-L288 HydrophobicContact CG2-CB 3.8Å; V231-L288 HydrophobicContact CG2-CD1 4.13Å; R258-L288 HydrophobicContact CB-CB 4.12Å; R258-L288 HydrophobicContact CB-CD2 4.06Å; I259-L288 WeakPolarHBondContact O-CD2 3.25Å; E284-L288 HydrophobicContact CG-CD1 4.25Å; E284-L288 HydrophobicContact CG-CG 4.44Å; E284-L288 WeakPolarHBondContact O-CG 3.26Å; E284-L288 PolarHBondContact O-N 3.48Å; R285-L288 PolarHBondContact O-N 2.9Å; L288-S290 VanDerWaalsContact C-N 3.34Å; L288-S290 PolarHBondContact O-N 3.32Å; L288-L291 PolarHBondContact O-N 3.29Å; L288-I292 WeakPolarHBondContact O-CG1 3.19Å; L288-I292 PolarHBondContact O-N 3.01Å
289	E	97.3	Very high	94.8	Very high	21 Å²	21	43.6 Å²	43.6	10%	0.098	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-40.6	174.5	-73.8	177.7	-179.5	0	0	112.2	R180 V231 F233 R285 I292 S293	R180-E289 IonicContact CZ-OE1 3.42Å; R180-E289 IonicContact CZ-OE2 3.8Å; R180-E289 IonicContact NH1-OE1 3.4Å; R180-E289 PolarHBondContact NH1-OE1 3.03Å; R180-E289 IonicContact NH1-OE2 3.2Å; R180-E289 IonicContact NH2-OE1 2.93Å; R180-E289 PolarHBondContact NH2-OE1 3.1Å; R180-E289 VanDerWaalsContact NH2-OE1 3.1Å; R180-E289 IonicContact NH2-OE2 3.13Å; R180-E289 PolarHBondContact NH2-OE2 3.25Å; V231-E289 HydrophobicContact CG1-CG 3.58Å; V231-E289 HydrophobicContact CG2-CG 4.31Å; F233-E289 HydrophobicContact CE2-CB 4.32Å; F233-E289 HydrophobicContact CE2-CG 4.08Å; F233-E289 HydrophobicContact CZ-CB 4.34Å; F233-E289 HydrophobicContact CZ-CG 4.4Å; R285-E289 HydrophobicContact CG-CG 4.35Å; R285-E289 WeakPolarHBondContact CG-OE1 3.38Å; R285-E289 IonicContact NE-OE1 3.55Å; R285-E289 WeakPolarHBondContact O-CB 3.35Å; R285-E289 VanDerWaalsContact O-CG 3.3Å; R285-E289 WeakPolarHBondContact O-CG 3.41Å; R285-E289 PolarHBondContact O-N 2.93Å; E289-I292 PolarHBondContact O-N 3.01Å; E289-S293 VanDerWaalsContact O-CB 3.25Å; E289-S293 WeakPolarHBondContact O-CB 3.31Å; E289-S293 PolarHBondContact O-N 2.94Å; E289-S293 PolarHBondContact O-OG 3Å
290	S	96.7	Very high	94.7	Very high	68 Å²	68	42.1 Å²	42.1	48%	0.476	22%	0.218	S	C	.	.	H	α-helix	trans	-68.7	-36.2	178.9	72.6	0	0	0	0	112.5	T286 R287 L288 S293 S294	T286-S290 PolarHBondContact O-N 3.43Å; R287-S290 PolarHBondContact O-N 3.07Å; R287-S290 PolarHBondContact O-OG 3.09Å; L288-S290 VanDerWaalsContact C-N 3.34Å; L288-S290 PolarHBondContact O-N 3.32Å; S290-S293 PolarHBondContact O-N 3.03Å; S290-S294 PolarHBondContact O-N 3.17Å; S290-S294 VanDerWaalsContact O-N 3.08Å; S290-S294 PolarHBondContact O-OG 3.07Å
291	L	95.1	Very high	94.5	Very high	53 Å²	53	40.7 Å²	40.7	28%	0.277	22%	0.216	S	C	.	.	H	α-helix	trans	-65.5	-44.7	173.6	-68.8	173.6	0	0	0	112.3	R258 R287 L288 S293 S294 E295	R258-L291 HydrophobicContact CG-CB 4.44Å; R287-L291 WeakPolarHBondContact O-CG 3.3Å; R287-L291 PolarHBondContact O-N 3.47Å; L288-L291 PolarHBondContact O-N 3.29Å; L291-S293 VanDerWaalsContact C-N 3.34Å; L291-S294 PolarHBondContact O-OG 2.99Å; L291-E295 PolarHBondContact O-N 3.47Å
292	I	96.3	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-45.2	175.5	-63.3	166	0	0	0	109.7	V231 F233 R258 L288 E289 S294 E295 L296	V231-I292 HydrophobicContact CB-CD1 3.83Å; V231-I292 HydrophobicContact CG1-CD1 3.58Å; V231-I292 WeakPolarHBondContact O-CD1 3.09Å; F233-I292 HydrophobicContact CB-CG2 3.86Å; F233-I292 HydrophobicContact CD1-CG2 4.15Å; F233-I292 HydrophobicContact CD2-CB 4.03Å; F233-I292 HydrophobicContact CD2-CD1 3.71Å; F233-I292 HydrophobicContact CD2-CG1 4.49Å; F233-I292 HydrophobicContact CD2-CG2 3.55Å; F233-I292 HydrophobicContact CE2-CB 4.11Å; F233-I292 HydrophobicContact CE2-CD1 3.98Å; F233-I292 HydrophobicContact CE2-CG2 4.07Å; F233-I292 HydrophobicContact CG-CG2 3.6Å; R258-I292 HydrophobicContact CB-CD1 3.8Å; R258-I292 HydrophobicContact CB-CG1 3.63Å; R258-I292 HydrophobicContact CG-CD1 4.14Å; R258-I292 HydrophobicContact CG-CG1 3.39Å; L288-I292 WeakPolarHBondContact O-CG1 3.19Å; L288-I292 PolarHBondContact O-N 3.01Å; E289-I292 PolarHBondContact O-N 3.01Å; I292-S294 VanDerWaalsContact C-N 3.34Å; I292-S294 PolarHBondContact O-N 3.11Å; I292-E295 PolarHBondContact O-N 3.19Å; I292-L296 HydrophobicContact CG2-CB 4.37Å; I292-L296 WeakPolarHBondContact O-CB 3.32Å; I292-L296 PolarHBondContact O-N 3.22Å
293	S	95.4	Very high	93.4	Very high	44 Å²	44	44.7 Å²	44.7	31%	0.308	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-41.1	-175.3	-61.5	0	0	0	0	111.8	E289 S290 L291 M297	E289-S293 VanDerWaalsContact O-CB 3.25Å; E289-S293 WeakPolarHBondContact O-CB 3.31Å; E289-S293 PolarHBondContact O-N 2.94Å; E289-S293 PolarHBondContact O-OG 3Å; S290-S293 PolarHBondContact O-N 3.03Å; L291-S293 VanDerWaalsContact C-N 3.34Å; S293-M297 WeakPolarHBondContact O-CB 3.46Å; S293-M297 WeakPolarHBondContact O-CG 3.49Å; S293-M297 PolarHBondContact O-N 2.77Å
294	S	92	Very high	93	Very high	71 Å²	71	37.1 Å²	37.1	50%	0.497	20%	0.201	S	C	.	.	H	α-helix	trans	-64.8	-45.8	178.3	61.2	0	0	0	0	112.3	S290 L291 I292 F298	S290-S294 PolarHBondContact O-N 3.17Å; S290-S294 VanDerWaalsContact O-N 3.08Å; S290-S294 PolarHBondContact O-OG 3.07Å; L291-S294 PolarHBondContact O-OG 2.99Å; I292-S294 VanDerWaalsContact C-N 3.34Å; I292-S294 PolarHBondContact O-N 3.11Å; S294-F298 WeakPolarHBondContact O-CB 3.48Å; S294-F298 PolarHBondContact O-N 3.32Å
295	E	93.1	Very high	92.6	Very high	23 Å²	23	40.2 Å²	40.2	11%	0.107	22%	0.218	C	C	.	.	H	α-helix	trans	-70	-41.4	179.7	-68.4	175.5	-157.2	0	0	112.2	Y143 S145 L146 R258 L291 I292 F298 A299	Y143-E295 HydrophobicContact CD1-CB 4.49Å; Y143-E295 HydrophobicContact CD1-CG 4.13Å; S145-E295 WeakPolarHBondContact CB-OE2 3.44Å; S145-E295 PolarHBondContact N-OE2 3.08Å; S145-E295 PolarHBondContact OG-OE1 3.08Å; S145-E295 PolarHBondContact OG-OE2 3.35Å; L146-E295 HydrophobicContact CD1-CB 4.45Å; L146-E295 HydrophobicContact CD2-CB 4.27Å; L146-E295 HydrophobicContact CG-CB 4.31Å; R258-E295 IonicContact CZ-OE1 3.61Å; R258-E295 IonicContact NE-OE1 3.1Å; R258-E295 IonicContact NH2-OE1 2.69Å; R258-E295 PolarHBondContact NH2-OE1 2.79Å; R258-E295 IonicContact NH2-OE2 3.35Å; L291-E295 PolarHBondContact O-N 3.47Å; I292-E295 PolarHBondContact O-N 3.19Å; E295-F298 PolarHBondContact O-N 3.16Å; E295-A299 WeakPolarHBondContact O-CB 3.04Å; E295-A299 PolarHBondContact O-N 3.41Å
296	L	94.5	Very high	92.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-45.1	-179.6	-178.6	63.1	0	0	0	111.4	L146 L184 Y200 F233 I254 I292 F298 A299 L300	L146-L296 HydrophobicContact CD2-CB 4.41Å; L146-L296 HydrophobicContact CD2-CD1 4.41Å; L184-L296 HydrophobicContact CD1-CD2 3.77Å; L184-L296 HydrophobicContact CD1-CG 4.39Å; Y200-L296 HydrophobicContact CD1-CD2 4.01Å; Y200-L296 HydrophobicContact CE1-CD1 4.19Å; Y200-L296 HydrophobicContact CE1-CD2 3.7Å; F233-L296 HydrophobicContact CB-CD2 3.93Å; F233-L296 HydrophobicContact CD1-CD2 3.74Å; F233-L296 HydrophobicContact CG-CD2 4.22Å; I254-L296 HydrophobicContact CB-CD1 4.1Å; I254-L296 HydrophobicContact CG2-CD1 3.61Å; I292-L296 HydrophobicContact CG2-CB 4.37Å; I292-L296 WeakPolarHBondContact O-CB 3.32Å; I292-L296 PolarHBondContact O-N 3.22Å; L296-F298 VanDerWaalsContact C-N 3.27Å; L296-F298 PolarHBondContact O-N 3.26Å; L296-A299 PolarHBondContact O-N 2.78Å; L296-A299 VanDerWaalsContact O-N 3.16Å; L296-L300 HydrophobicContact CD1-CD1 4.13Å; L296-L300 HydrophobicContact CD1-CG 4.07Å; L296-L300 HydrophobicContact CG-CD1 3.89Å; L296-L300 HydrophobicContact CG-CG 4.26Å; L296-L300 WeakPolarHBondContact O-CB 3.05Å; L296-L300 VanDerWaalsContact O-CG 3.27Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 3.18Å
297	M	91.9	Very high	91.8	Very high	81 Å²	81	39.2 Å²	39.2	40%	0.399	21%	0.209	S	C	.	.	H	α-helix	trans	-63.5	-37.2	177.3	-71.2	-58.2	-64.1	0	0	111.7	L184 S293 S301	L184-M297 HydrophobicContact CB-SD 4.28Å; L184-M297 HydrophobicContact CD1-SD 4.16Å; L184-M297 HydrophobicContact CD2-SD 3.73Å; L184-M297 HydrophobicContact CG-SD 4.28Å; S293-M297 WeakPolarHBondContact O-CB 3.46Å; S293-M297 WeakPolarHBondContact O-CG 3.49Å; S293-M297 PolarHBondContact O-N 2.77Å; M297-S301 PolarHBondContact O-N 3.2Å
298	F	88.4	Confident	91.6	Very high	57 Å²	57	36.5 Å²	36.5	25%	0.25	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-57.9	169.4	-179	-87.6	0	0	0	109.6	Y143 S294 E295 L296 L300 S301 Y302 L307	Y143-F298 HydrophobicContact CE1-CD1 4.26Å; Y143-F298 HydrophobicContact CE1-CE1 4.44Å; Y143-F298 HydrophobicContact CE2-CD1 4.22Å; Y143-F298 HydrophobicContact CE2-CE1 4.03Å; Y143-F298 AromaticContact CZ-CD1 3.76Å; Y143-F298 AromaticContact CZ-CE1 3.58Å; Y143-F298 WeakPolarHBondContact OH-CE1 3.47Å; Y143-F298 WeakPolarHBondContact OH-CZ 3.4Å; S294-F298 WeakPolarHBondContact O-CB 3.48Å; S294-F298 PolarHBondContact O-N 3.32Å; E295-F298 PolarHBondContact O-N 3.16Å; L296-F298 VanDerWaalsContact C-N 3.27Å; L296-F298 PolarHBondContact O-N 3.26Å; F298-L300 VanDerWaalsContact C-N 3.33Å; F298-L300 PolarHBondContact O-N 3.48Å; F298-S301 WeakPolarHBondContact O-CB 3.37Å; F298-S301 PolarHBondContact O-N 3.1Å; F298-S301 PolarHBondContact O-OG 2.85Å; F298-Y302 AromaticContact CD1-CD2 3.98Å; F298-Y302 HydrophobicContact CD1-CD2 3.98Å; F298-Y302 HydrophobicContact CD1-CE2 4.07Å; F298-Y302 HydrophobicContact CD2-CD2 4.29Å; F298-Y302 AromaticContact CD2-CE2 3.58Å; F298-Y302 HydrophobicContact CD2-CE2 3.58Å; F298-Y302 AromaticContact CE1-CD2 3.67Å; F298-Y302 HydrophobicContact CE1-CD2 3.67Å; F298-Y302 AromaticContact CE1-CE2 3.68Å; F298-Y302 HydrophobicContact CE1-CE2 3.68Å; F298-Y302 HydrophobicContact CE1-CG 4.5Å; F298-Y302 HydrophobicContact CE2-CD2 4.05Å; F298-Y302 AromaticContact CE2-CE2 3.19Å; F298-Y302 HydrophobicContact CE2-CE2 3.19Å; F298-Y302 AromaticContact CE2-CZ 3.67Å; F298-Y302 HydrophobicContact CG-CD2 4.27Å; F298-Y302 HydrophobicContact CG-CE2 4.01Å; F298-Y302 AromaticContact CZ-CD2 3.73Å; F298-Y302 HydrophobicContact CZ-CD2 3.73Å; F298-Y302 HydrophobicContact CZ-CE1 4.49Å; F298-Y302 AromaticContact CZ-CE2 3.24Å; F298-Y302 HydrophobicContact CZ-CE2 3.24Å; F298-Y302 AromaticContact CZ-CZ 3.67Å; F298-Y302 VanDerWaalsContact O-CD2 3.24Å; F298-Y302 WeakPolarHBondContact O-CD2 3.49Å; F298-L307 HydrophobicContact CE1-CD2 4.36Å
299	A	91.7	Very high	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.9	-40.8	-176.7	0	0	0	0	0	114.1	L146 I254 E295 L296 S301 Y302 L307	L146-A299 HydrophobicContact CD1-CB 3.57Å; I254-A299 HydrophobicContact CD1-CB 4.09Å; I254-A299 HydrophobicContact CG2-CB 4.44Å; E295-A299 WeakPolarHBondContact O-CB 3.04Å; E295-A299 PolarHBondContact O-N 3.41Å; L296-A299 PolarHBondContact O-N 2.78Å; L296-A299 VanDerWaalsContact O-N 3.16Å; A299-S301 PolarHBondContact O-N 3.4Å; A299-Y302 PolarHBondContact O-N 3.32Å; A299-L307 HydrophobicContact CB-CD1 3.81Å; A299-L307 HydrophobicContact CB-CD2 4.33Å
300	L	91.8	Very high	90.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-18.1	177.7	-67.8	173.5	0	0	0	113.7	L184 Q186 K187 Y200 I254 L296 F298	L184-L300 HydrophobicContact CB-CD1 4.13Å; L184-L300 HydrophobicContact CD1-CD1 3.86Å; Q186-L300 HydrophobicContact CB-CB 4.31Å; Q186-L300 HydrophobicContact CB-CD2 4.06Å; Q186-L300 HydrophobicContact CG-CB 4.38Å; Q186-L300 HydrophobicContact CG-CD2 3.78Å; K187-L300 PolarHBondContact N-O 2.84Å; Y200-L300 HydrophobicContact CE2-CD1 4.12Å; I254-L300 HydrophobicContact CD1-CD2 4.14Å; L296-L300 HydrophobicContact CD1-CD1 4.13Å; L296-L300 HydrophobicContact CD1-CG 4.07Å; L296-L300 HydrophobicContact CG-CD1 3.89Å; L296-L300 HydrophobicContact CG-CG 4.26Å; L296-L300 WeakPolarHBondContact O-CB 3.05Å; L296-L300 VanDerWaalsContact O-CG 3.27Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 3.18Å; F298-L300 VanDerWaalsContact C-N 3.33Å; F298-L300 PolarHBondContact O-N 3.48Å
301	S	87.9	Confident	90.7	Very high	43 Å²	43	37.1 Å²	37.1	30%	0.301	19%	0.193	S	C	.	.	H	α-helix	trans	-89	-9.8	178.6	77.3	0	0	0	0	114.1	K187 M297 F298 A299	K187-S301 VanDerWaalsContact CD-O 3.24Å; K187-S301 WeakPolarHBondContact CD-O 3.24Å; K187-S301 WeakPolarHBondContact CE-O 2.96Å; K187-S301 PolarHBondContact NZ-O 2.83Å; M297-S301 PolarHBondContact O-N 3.2Å; F298-S301 WeakPolarHBondContact O-CB 3.37Å; F298-S301 PolarHBondContact O-N 3.1Å; F298-S301 PolarHBondContact O-OG 2.85Å; A299-S301 PolarHBondContact O-N 3.4Å
302	Y	83.3	Confident	90.7	Very high	66 Å²	66	36.1 Å²	36.1	26%	0.259	19%	0.187	S	C	.	.	S	Bend	trans	-113.6	148	178.6	-69.7	-91.4	0	0	0	111.7	F298 A299 E306	F298-Y302 AromaticContact CD1-CD2 3.98Å; F298-Y302 HydrophobicContact CD1-CD2 3.98Å; F298-Y302 HydrophobicContact CD1-CE2 4.07Å; F298-Y302 HydrophobicContact CD2-CD2 4.29Å; F298-Y302 AromaticContact CD2-CE2 3.58Å; F298-Y302 HydrophobicContact CD2-CE2 3.58Å; F298-Y302 AromaticContact CE1-CD2 3.67Å; F298-Y302 HydrophobicContact CE1-CD2 3.67Å; F298-Y302 AromaticContact CE1-CE2 3.68Å; F298-Y302 HydrophobicContact CE1-CE2 3.68Å; F298-Y302 HydrophobicContact CE1-CG 4.5Å; F298-Y302 HydrophobicContact CE2-CD2 4.05Å; F298-Y302 AromaticContact CE2-CE2 3.19Å; F298-Y302 HydrophobicContact CE2-CE2 3.19Å; F298-Y302 AromaticContact CE2-CZ 3.67Å; F298-Y302 HydrophobicContact CG-CD2 4.27Å; F298-Y302 HydrophobicContact CG-CE2 4.01Å; F298-Y302 AromaticContact CZ-CD2 3.73Å; F298-Y302 HydrophobicContact CZ-CD2 3.73Å; F298-Y302 HydrophobicContact CZ-CE1 4.49Å; F298-Y302 AromaticContact CZ-CE2 3.24Å; F298-Y302 HydrophobicContact CZ-CE2 3.24Å; F298-Y302 AromaticContact CZ-CZ 3.67Å; F298-Y302 VanDerWaalsContact O-CD2 3.24Å; F298-Y302 WeakPolarHBondContact O-CD2 3.49Å; A299-Y302 PolarHBondContact O-N 3.32Å; Y302-E306 WeakPolarHBondContact CD1-OE2 3.27Å
303	P	85.3	Confident	90.4	Very high	22 Å²	22	36.8 Å²	36.8	14%	0.143	19%	0.191	C	C	.	.			trans	-55.8	141.2	167.5	-26.9	38	0	0	0	112.6	N305 E306 L307	P303-N305 VanDerWaalsContact C-N 3.26Å; P303-N305 WeakPolarHBondContact CB-OD1 2.99Å; P303-N305 PolarHBondContact O-N 3.45Å; P303-E306 HydrophobicContact CB-CG 4.32Å; P303-E306 PolarHBondContact O-N 3.22Å; P303-E306 VanDerWaalsContact O-N 3.08Å; P303-L307 PolarHBondContact O-N 2.75Å
304	E	87.8	Confident	90.2	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-37.7	-179.7	-173.5	-78.7	145.6	0	0	112.9	Y138 I148 T150 E189 T252 E306 L307 R308	Y138-E304 WeakPolarHBondContact CE1-OE1 3.25Å; Y138-E304 PolarHBondContact OH-OE1 2.93Å; Y138-E304 VanDerWaalsContact OH-OE1 3.09Å; I148-E304 HydrophobicContact CG2-CG 4.27Å; T150-E304 PolarHBondContact OG1-OE1 2.73Å; E189-E304 WeakPolarHBondContact OE1-CB 3.35Å; T252-E304 HydrophobicContact CG2-CB 3.99Å; T252-E304 HydrophobicContact CG2-CG 3.58Å; E304-E306 PolarHBondContact O-N 2.91Å; E304-L307 PolarHBondContact O-N 2.77Å; E304-R308 WeakPolarHBondContact O-CB 3.48Å; E304-R308 PolarHBondContact O-N 2.56Å; E304-R308 IonicContact OE1-CZ 3.76Å; E304-R308 IonicContact OE1-NE 3.28Å; E304-R308 PolarHBondContact OE1-NE 2.98Å; E304-R308 IonicContact OE1-NH1 2.63Å; E304-R308 IonicContact OE1-NH2 2.56Å; E304-R308 PolarHBondContact OE1-NH2 2.73Å; E304-R308 IonicContact OE2-CZ 2.61Å; E304-R308 IonicContact OE2-NE 3.12Å; E304-R308 PolarHBondContact OE2-NE 2.93Å; E304-R308 VanDerWaalsContact OE2-NE 3.13Å; E304-R308 IonicContact OE2-NH2 3.44Å; E304-R308 PolarHBondContact OE2-NH2 2.87Å
305	N	88.7	Confident	90.3	Very high	99 Å²	99	31.3 Å²	31.3	53%	0.529	15%	0.153	S	C	.	.	H	α-helix	trans	-61.1	-31.9	178.6	63	-18.4	0	0	0	112.7	P303 K309	P303-N305 VanDerWaalsContact C-N 3.26Å; P303-N305 WeakPolarHBondContact CB-OD1 2.99Å; P303-N305 PolarHBondContact O-N 3.45Å; N305-K309 VanDerWaalsContact O-CB 3.3Å; N305-K309 WeakPolarHBondContact O-CB 3.39Å; N305-K309 PolarHBondContact O-N 2.94Å
306	E	87	Confident	90.3	Very high	76 Å²	76	31.9 Å²	31.9	36%	0.355	16%	0.156	S	C	.	.	H	α-helix	trans	-73.2	-44.4	175.3	-66.1	-171.9	168.3	0	0	111.4	Y302 P303 E304 R308 K309 E310	Y302-E306 WeakPolarHBondContact CD1-OE2 3.27Å; P303-E306 HydrophobicContact CB-CG 4.32Å; P303-E306 PolarHBondContact O-N 3.22Å; P303-E306 VanDerWaalsContact O-N 3.08Å; E304-E306 PolarHBondContact O-N 2.91Å; E306-R308 VanDerWaalsContact C-N 3.33Å; E306-R308 PolarHBondContact O-N 3.47Å; E306-K309 WeakPolarHBondContact O-CB 3.39Å; E306-K309 PolarHBondContact O-N 2.92Å; E306-E310 PolarHBondContact O-N 3.24Å
307	L	89.8	Confident	90.1	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-45.1	173.7	-65.8	173.7	0	0	0	111.3	H140 Y143 I254 F298 A299 P303 E304 K309 E310 H311	H140-L307 PolarHBondContact NE2-O 2.69Å; H140-L307 VanDerWaalsContact NE2-O 3.1Å; Y143-L307 HydrophobicContact CE2-CD2 4.27Å; I254-L307 HydrophobicContact CD1-CD1 4.26Å; F298-L307 HydrophobicContact CE1-CD2 4.36Å; A299-L307 HydrophobicContact CB-CD1 3.81Å; A299-L307 HydrophobicContact CB-CD2 4.33Å; P303-L307 PolarHBondContact O-N 2.75Å; E304-L307 PolarHBondContact O-N 2.77Å; L307-K309 VanDerWaalsContact C-N 3.34Å; L307-K309 PolarHBondContact O-N 2.65Å; L307-E310 PolarHBondContact O-N 3.19Å; L307-H311 PolarHBondContact O-N 3.26Å
308	R	93.5	Very high	90.1	Very high	29 Å²	29	28.4 Å²	28.4	11%	0.109	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-44.6	175.5	-172.9	-169.4	-61.2	-82.5	3.6	111.3	Y138 T150 E304 E306 E310 H311 I312	Y138-R308 HydrophobicContact CE1-CB 4.49Å; Y138-R308 HydrophobicContact CE1-CG 4.4Å; Y138-R308 PolarHBondContact OH-N 2.8Å; T150-R308 PolarHBondContact OG1-NH2 2.93Å; T150-R308 VanDerWaalsContact OG1-NH2 3.16Å; E304-R308 WeakPolarHBondContact O-CB 3.48Å; E304-R308 PolarHBondContact O-N 2.56Å; E304-R308 IonicContact OE1-CZ 3.76Å; E304-R308 IonicContact OE1-NE 3.28Å; E304-R308 PolarHBondContact OE1-NE 2.98Å; E304-R308 IonicContact OE1-NH1 2.63Å; E304-R308 IonicContact OE1-NH2 2.56Å; E304-R308 PolarHBondContact OE1-NH2 2.73Å; E304-R308 IonicContact OE2-CZ 2.61Å; E304-R308 IonicContact OE2-NE 3.12Å; E304-R308 PolarHBondContact OE2-NE 2.93Å; E304-R308 VanDerWaalsContact OE2-NE 3.13Å; E304-R308 IonicContact OE2-NH2 3.44Å; E304-R308 PolarHBondContact OE2-NH2 2.87Å; E306-R308 VanDerWaalsContact C-N 3.33Å; E306-R308 PolarHBondContact O-N 3.47Å; R308-E310 VanDerWaalsContact C-N 3.32Å; R308-E310 PolarHBondContact O-N 3.27Å; R308-H311 WeakPolarHBondContact O-CB 3.21Å; R308-H311 PolarHBondContact O-N 3.07Å; R308-I312 HydrophobicContact CG-CD1 3.85Å; R308-I312 HydrophobicContact CG-CG1 4.41Å; R308-I312 WeakPolarHBondContact O-CB 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.25Å; R308-I312 WeakPolarHBondContact O-CG1 3.49Å; R308-I312 PolarHBondContact O-N 3.06Å
309	K	91.7	Very high	90.4	Very high	97 Å²	97	26.9 Å²	26.9	42%	0.422	13%	0.132	S	C	.	.	H	α-helix	trans	-59.9	-43	177.3	-176.1	176.5	179.9	175.9	0	111.2	N305 E306 L307 I312 D313	N305-K309 VanDerWaalsContact O-CB 3.3Å; N305-K309 WeakPolarHBondContact O-CB 3.39Å; N305-K309 PolarHBondContact O-N 2.94Å; E306-K309 WeakPolarHBondContact O-CB 3.39Å; E306-K309 PolarHBondContact O-N 2.92Å; L307-K309 VanDerWaalsContact C-N 3.34Å; L307-K309 PolarHBondContact O-N 2.65Å; K309-I312 PolarHBondContact O-N 2.96Å; K309-D313 VanDerWaalsContact O-CB 3.3Å; K309-D313 WeakPolarHBondContact O-CB 3.36Å; K309-D313 PolarHBondContact O-N 3.28Å
310	E	86.9	Confident	90.5	Very high	6 Å²	6	28 Å²	28	3%	0.028	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-44.1	175.8	175.7	166.7	-162.1	0	0	112.5	R142 Y143 E306 L307 R308 D313 A314 I518	R142-E310 WeakPolarHBondContact CD-OE1 3.32Å; R142-E310 IonicContact CZ-OE1 3.79Å; R142-E310 IonicContact NE-OE1 3.82Å; R142-E310 IonicContact NH1-OE1 2.77Å; R142-E310 PolarHBondContact NH1-OE1 2.95Å; Y143-E310 PolarHBondContact OH-OE2 3.41Å; E306-E310 PolarHBondContact O-N 3.24Å; L307-E310 PolarHBondContact O-N 3.19Å; R308-E310 VanDerWaalsContact C-N 3.32Å; R308-E310 PolarHBondContact O-N 3.27Å; E310-D313 PolarHBondContact O-N 3.12Å; E310-A314 PolarHBondContact O-N 2.82Å; E310-I518 HydrophobicContact CB-CD1 3.92Å; E310-I518 HydrophobicContact CB-CG1 4.02Å; E310-I518 VanDerWaalsContact CD-CG1 3.4Å; E310-I518 HydrophobicContact CG-CD1 4.24Å; E310-I518 HydrophobicContact CG-CG1 3.76Å
311	H	93.6	Very high	90.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.6	-50.2	174	171.6	91	0	0	0	111.9	D114 G115 Y138 A139 R141 L307 R308 D313 A314 W315	D114-H311 PolarHBondContact O-CD2 3.43Å; D114-H311 PolarHBondContact O-NE2 3.4Å; D114-H311 VanDerWaalsContact O-NE2 3.14Å; G115-H311 PolarHBondContact O-NE2 3.24Å; Y138-H311 HydrophobicContact CD2-CB 4.01Å; Y138-H311 AromaticContact CD2-CD2 3.81Å; Y138-H311 AromaticContact CD2-CE1 3.84Å; Y138-H311 AromaticContact CD2-CG 3.55Å; Y138-H311 AromaticContact CD2-ND1 3.59Å; Y138-H311 AromaticContact CD2-NE2 3.99Å; Y138-H311 HydrophobicContact CE2-CB 3.88Å; Y138-H311 AromaticContact CE2-CG 3.96Å; A139-H311 PolarHBondContact O-CE1 2.82Å; A139-H311 PolarHBondContact O-ND1 3.37Å; R141-H311 PolarHBondContact N-ND1 3.04Å; R141-H311 VanDerWaalsContact N-ND1 3.19Å; L307-H311 PolarHBondContact O-N 3.26Å; R308-H311 WeakPolarHBondContact O-CB 3.21Å; R308-H311 PolarHBondContact O-N 3.07Å; H311-D313 VanDerWaalsContact C-N 3.31Å; H311-D313 PolarHBondContact O-N 3.06Å; H311-A314 WeakPolarHBondContact O-CB 3.15Å; H311-A314 PolarHBondContact O-N 3.33Å; H311-W315 AromaticContact CD2-CD1 3.79Å; H311-W315 AromaticContact CE1-CD1 3.58Å; H311-W315 AromaticContact CE1-NE1 3.22Å; H311-W315 PolarHBondContact CE1-NE1 2.84Å; H311-W315 AromaticContact NE2-CD1 3.36Å; H311-W315 AromaticContact NE2-NE1 3.3Å; H311-W315 PolarHBondContact NE2-NE1 3.22Å; H311-W315 PolarHBondContact O-N 2.84Å; H311-W315 VanDerWaalsContact O-N 3.16Å
312	I	94.3	Very high	91.1	Very high	31 Å²	31	26.4 Å²	26.4	16%	0.159	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-41.6	179.7	-69.6	171.9	0	0	0	110.8	D114 L116 R308 K309 A314 W315 N316	D114-I312 HydrophobicContact CB-CD1 4.37Å; D114-I312 HydrophobicContact CB-CG1 3.94Å; D114-I312 HydrophobicContact CB-CG2 4.5Å; L116-I312 HydrophobicContact CD1-CD1 4.28Å; R308-I312 HydrophobicContact CG-CD1 3.85Å; R308-I312 HydrophobicContact CG-CG1 4.41Å; R308-I312 WeakPolarHBondContact O-CB 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.25Å; R308-I312 WeakPolarHBondContact O-CG1 3.49Å; R308-I312 PolarHBondContact O-N 3.06Å; K309-I312 PolarHBondContact O-N 2.96Å; I312-A314 VanDerWaalsContact C-N 3.31Å; I312-A314 PolarHBondContact O-N 2.61Å; I312-W315 PolarHBondContact O-N 2.63Å; I312-N316 VanDerWaalsContact CG2-ND2 3.35Å; I312-N316 WeakPolarHBondContact CG2-ND2 3.41Å; I312-N316 WeakPolarHBondContact O-CB 3.46Å; I312-N316 PolarHBondContact O-N 3.45Å; I312-N316 PolarHBondContact O-ND2 3.06Å
313	D	90	Very high	91.7	Very high	15 Å²	15	23.8 Å²	23.8	8%	0.08	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-36.8	178	-84.6	-7.3	0	0	0	112.5	K309 E310 H311 N316 L317 K522	K309-D313 VanDerWaalsContact O-CB 3.3Å; K309-D313 WeakPolarHBondContact O-CB 3.36Å; K309-D313 PolarHBondContact O-N 3.28Å; E310-D313 PolarHBondContact O-N 3.12Å; H311-D313 VanDerWaalsContact C-N 3.31Å; H311-D313 PolarHBondContact O-N 3.06Å; D313-N316 PolarHBondContact O-N 3.05Å; D313-L317 WeakPolarHBondContact O-CB 3.17Å; D313-L317 PolarHBondContact O-N 3.04Å; D313-K522 IonicContact OD1-NZ 3.39Å; D313-K522 IonicContact OD2-NZ 3.52Å; D313-K522 PolarHBondContact OD2-NZ 3.41Å
314	A	90.6	Very high	92.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-40.2	174.5	0	0	0	0	0	111.8	R141 R142 E310 H311 I312 L318	R141-A314 HydrophobicContact CB-CB 3.9Å; R141-A314 HydrophobicContact CG-CB 3.71Å; R142-A314 HydrophobicContact CG-CB 4.09Å; E310-A314 PolarHBondContact O-N 2.82Å; H311-A314 WeakPolarHBondContact O-CB 3.15Å; H311-A314 PolarHBondContact O-N 3.33Å; I312-A314 VanDerWaalsContact C-N 3.31Å; I312-A314 PolarHBondContact O-N 2.61Å; A314-L318 PolarHBondContact O-N 3.24Å
315	W	94.7	Very high	92.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-44.4	173.1	-82.9	104.4	0	0	0	112.7	R141 H311 I312 L317 L318 W319 Y344 A347	R141-W315 VanDerWaalsContact NH1-CZ2 3.28Å; H311-W315 AromaticContact CD2-CD1 3.79Å; H311-W315 AromaticContact CE1-CD1 3.58Å; H311-W315 AromaticContact CE1-NE1 3.22Å; H311-W315 PolarHBondContact CE1-NE1 2.84Å; H311-W315 AromaticContact NE2-CD1 3.36Å; H311-W315 AromaticContact NE2-NE1 3.3Å; H311-W315 PolarHBondContact NE2-NE1 3.22Å; H311-W315 PolarHBondContact O-N 2.84Å; H311-W315 VanDerWaalsContact O-N 3.16Å; I312-W315 PolarHBondContact O-N 2.63Å; W315-L317 VanDerWaalsContact C-N 3.26Å; W315-L317 PolarHBondContact O-N 3.22Å; W315-L318 HydrophobicContact CE3-CD2 4.07Å; W315-L318 HydrophobicContact CZ3-CD2 4.03Å; W315-L318 WeakPolarHBondContact O-CB 3.44Å; W315-L318 PolarHBondContact O-N 3.08Å; W315-L318 VanDerWaalsContact O-N 3.07Å; W315-W319 HydrophobicContact CE3-CZ2 4.39Å; W315-W319 AromaticContact CE3-NE1 3.7Å; W315-W319 HydrophobicContact CZ3-CZ2 4.19Å; W315-W319 PolarHBondContact O-N 3.3Å; W315-Y344 AromaticContact CH2-CD2 3.71Å; W315-Y344 HydrophobicContact CH2-CD2 3.71Å; W315-Y344 AromaticContact CH2-CE2 3.67Å; W315-Y344 HydrophobicContact CH2-CE2 3.67Å; W315-Y344 HydrophobicContact CZ2-CD2 4.49Å; W315-Y344 HydrophobicContact CZ2-CE2 4.01Å; W315-Y344 AromaticContact CZ3-CD2 3.83Å; W315-Y344 HydrophobicContact CZ3-CD2 3.83Å; W315-Y344 HydrophobicContact CZ3-CE2 4.13Å; W315-A347 HydrophobicContact CH2-CB 3.7Å; W315-A347 HydrophobicContact CZ3-CB 3.61Å
316	N	92.4	Very high	92.8	Very high	34 Å²	34	23.5 Å²	23.5	18%	0.182	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-38	177	-82.9	-41.8	0	0	0	112.1	R113 I312 D313 W319 T320	R113-N316 PolarHBondContact NE-OD1 3.45Å; R113-N316 PolarHBondContact NH2-OD1 3.33Å; I312-N316 VanDerWaalsContact CG2-ND2 3.35Å; I312-N316 WeakPolarHBondContact CG2-ND2 3.41Å; I312-N316 WeakPolarHBondContact O-CB 3.46Å; I312-N316 PolarHBondContact O-N 3.45Å; I312-N316 PolarHBondContact O-ND2 3.06Å; D313-N316 PolarHBondContact O-N 3.05Å; N316-W319 PolarHBondContact O-N 2.74Å; N316-T320 WeakPolarHBondContact O-CG2 3.39Å; N316-T320 PolarHBondContact O-N 3.44Å
317	L	91.1	Very high	93	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-46	173	173.5	58.7	0	0	0	111.4	D313 W315 W319 T320 Y421 L499 L503 F525	D313-L317 WeakPolarHBondContact O-CB 3.17Å; D313-L317 PolarHBondContact O-N 3.04Å; W315-L317 VanDerWaalsContact C-N 3.26Å; W315-L317 PolarHBondContact O-N 3.22Å; L317-W319 VanDerWaalsContact C-N 3.34Å; L317-W319 PolarHBondContact O-N 3.15Å; L317-T320 WeakPolarHBondContact O-CB 3.27Å; L317-T320 WeakPolarHBondContact O-CG2 3.44Å; L317-T320 PolarHBondContact O-N 2.98Å; L317-T320 PolarHBondContact O-OG1 3.39Å; L317-Y421 HydrophobicContact CD2-CE1 4.12Å; L317-Y421 HydrophobicContact CG-CE1 3.95Å; L317-L499 HydrophobicContact CD1-CD1 3.72Å; L317-L499 HydrophobicContact CD1-CD2 3.65Å; L317-L499 HydrophobicContact CD1-CG 4.24Å; L317-L503 HydrophobicContact CD1-CD1 4.33Å; L317-F525 HydrophobicContact CD1-CD2 4.43Å; L317-F525 HydrophobicContact CD2-CD2 3.89Å; L317-F525 HydrophobicContact CD2-CE2 4.09Å
318	L	93	Very high	93.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-44.8	176	-175.8	65	0	0	0	111.9	A314 W315 T320 S321 A347 V420 Y421 H424	A314-L318 PolarHBondContact O-N 3.24Å; W315-L318 HydrophobicContact CE3-CD2 4.07Å; W315-L318 HydrophobicContact CZ3-CD2 4.03Å; W315-L318 WeakPolarHBondContact O-CB 3.44Å; W315-L318 PolarHBondContact O-N 3.08Å; W315-L318 VanDerWaalsContact O-N 3.07Å; L318-T320 PolarHBondContact O-N 3.02Å; L318-S321 PolarHBondContact O-N 3.36Å; L318-A347 HydrophobicContact CD2-CB 3.61Å; L318-V420 HydrophobicContact CD1-CG1 4.45Å; L318-V420 HydrophobicContact CD1-CG2 3.88Å; L318-V420 HydrophobicContact CD2-CG2 3.69Å; L318-V420 HydrophobicContact CG-CG2 4.46Å; L318-Y421 HydrophobicContact CB-CE1 4.41Å; L318-Y421 HydrophobicContact CD1-CD1 3.92Å; L318-Y421 HydrophobicContact CD1-CE1 4.23Å; L318-H424 HydrophobicContact CD1-CB 3.7Å; L318-H424 PolarHBondContact O-NE2 3.48Å
319	W	94.7	Very high	93.1	Very high	24 Å²	24	31.9 Å²	31.9	9%	0.091	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-4.3	-179.3	-66.2	127	0	0	0	115.2	I112 R113 W315 N316 L317 S321 L343 Y344	I112-W319 PolarHBondContact O-NE1 3.45Å; I112-W319 VanDerWaalsContact O-NE1 3.15Å; R113-W319 PolarHBondContact O-NE1 3.08Å; W315-W319 HydrophobicContact CE3-CZ2 4.39Å; W315-W319 AromaticContact CE3-NE1 3.7Å; W315-W319 HydrophobicContact CZ3-CZ2 4.19Å; W315-W319 PolarHBondContact O-N 3.3Å; N316-W319 PolarHBondContact O-N 2.74Å; L317-W319 VanDerWaalsContact C-N 3.34Å; L317-W319 PolarHBondContact O-N 3.15Å; W319-S321 CarbonylContact C-O 3.6Å; W319-S321 PolarHBondContact O-N 3.21Å; W319-L343 HydrophobicContact CH2-CB 3.81Å; W319-L343 HydrophobicContact CZ3-CB 3.9Å; W319-L343 HydrophobicContact CZ3-CD1 4.11Å; W319-Y344 HydrophobicContact CZ2-CD2 4.5Å
320	T	93.5	Very high	93	Very high	23 Å²	23	27.7 Å²	27.7	14%	0.141	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.4	171.1	61.5	0	0	0	0	112	N316 L317 L318 L499 L503	N316-T320 WeakPolarHBondContact O-CG2 3.39Å; N316-T320 PolarHBondContact O-N 3.44Å; L317-T320 WeakPolarHBondContact O-CB 3.27Å; L317-T320 WeakPolarHBondContact O-CG2 3.44Å; L317-T320 PolarHBondContact O-N 2.98Å; L317-T320 PolarHBondContact O-OG1 3.39Å; L318-T320 PolarHBondContact O-N 3.02Å; T320-L499 HydrophobicContact CG2-CD1 3.89Å; T320-L503 HydrophobicContact CG2-CD2 4.01Å
321	S	96	Very high	93.1	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.063	17%	0.169	C	C	.	.	S	Bend	trans	-94.8	138.8	168.6	-49.4	0	0	0	0	109.1	L318 W319 H424 Q425 R457 R458	L318-S321 PolarHBondContact O-N 3.36Å; W319-S321 CarbonylContact C-O 3.6Å; W319-S321 PolarHBondContact O-N 3.21Å; S321-H424 PolarHBondContact O-NE2 3.43Å; S321-Q425 VanDerWaalsContact CB-NE2 3.34Å; S321-Q425 PolarHBondContact OG-NE2 2.66Å; S321-R457 WeakPolarHBondContact CA-O 3.49Å; S321-R458 PolarHBondContact OG-O 3.07Å
322	G	96.5	Very high	92.8	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	-171.5	-177.5	0	0	0	0	0	113.5	R457	G322-R457 PolarHBondContact N-O 2.61Å; G322-R457 VanDerWaalsContact N-O 3.07Å; G322-R457 PolarHBondContact O-N 3.42Å
323	I	95.8	Very high	92.7	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.062	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.8	177.9	-175.4	174.4	0	0	0	109.3	I339 L428 I431 I454 L455 F456	I323-I339 HydrophobicContact CG2-CG2 3.59Å; I323-L428 HydrophobicContact CB-CD2 4.3Å; I323-L428 HydrophobicContact CG2-CD2 4.41Å; I323-I431 HydrophobicContact CD1-CG2 3.57Å; I323-I454 HydrophobicContact CD1-CG2 3.71Å; I323-I454 HydrophobicContact CG1-CG2 3.8Å; I323-L455 CarbonylContact C-O 3.6Å; I323-L455 VanDerWaalsContact CA-O 3.29Å; I323-L455 WeakPolarHBondContact CA-O 3.44Å; I323-F456 HydrophobicContact CB-CD1 4.43Å; I323-F456 HydrophobicContact CD1-CD1 4.07Å; I323-F456 HydrophobicContact CD1-CE1 3.55Å; I323-F456 HydrophobicContact CD1-CZ 4.07Å; I323-F456 HydrophobicContact CG1-CD1 4.16Å; I323-F456 HydrophobicContact CG1-CE1 4.14Å
324	T	94.9	Very high	92.9	Very high	67 Å²	67	34.1 Å²	34.1	41%	0.411	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.2	166.3	-55.9	0	0	0	0	107	I454 L455 R457	T324-I454 CarbonylContact O-C 3.52Å; T324-I454 WeakPolarHBondContact O-CA 3.48Å; T324-L455 PolarHBondContact N-O 2.92Å; T324-L455 PolarHBondContact O-N 3.33Å; T324-R457 PolarHBondContact OG1-NH1 2.88Å
325	I	94.4	Very high	93	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.082	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.1	-176.6	-170.9	153.1	0	0	0	110.3	I339 L381 R452 D453 I454	I325-I339 HydrophobicContact CG2-CD1 3.76Å; I325-L381 HydrophobicContact CD1-CD1 4.43Å; I325-L381 HydrophobicContact CD1-CD2 3.62Å; I325-R452 VanDerWaalsContact CD1-NH2 3.3Å; I325-R452 HydrophobicContact CG1-CB 4.46Å; I325-D453 WeakPolarHBondContact CA-O 3.39Å; I325-I454 HydrophobicContact CD1-CD1 3.91Å; I325-I454 HydrophobicContact CD1-CG1 3.86Å; I325-I454 HydrophobicContact CG1-CG1 4.01Å
326	S	93.7	Very high	93	Very high	38 Å²	38	36.2 Å²	36.2	27%	0.266	21%	0.207	S	C	.	.			trans	-61.8	139.7	174.4	61	0	0	0	0	110.9	R452 D453	S326-R452 WeakPolarHBondContact OG-CB 3.33Å; S326-D453 PolarHBondContact N-O 2.96Å; S326-D453 PolarHBondContact OG-N 2.87Å
327	Y	92.9	Very high	93	Very high	143 Å²	143	39.4 Å²	39.4	56%	0.561	22%	0.219	S	C	*	.			trans	-60.4	140.9	177.6	-168.2	-88.7	0	0	0	111.3	Y329 N335	Y327-Y329 HydrophobicContact CD1-CD1 4.2Å; Y327-Y329 AromaticContact CD1-CD2 3.99Å; Y327-Y329 HydrophobicContact CD1-CD2 3.99Å; Y327-Y329 AromaticContact CD1-CE1 3.96Å; Y327-Y329 HydrophobicContact CD1-CE1 3.96Å; Y327-Y329 AromaticContact CD1-CE2 3.75Å; Y327-Y329 HydrophobicContact CD1-CE2 3.75Å; Y327-Y329 HydrophobicContact CD1-CG 4.22Å; Y327-Y329 AromaticContact CD1-CZ 3.72Å; Y327-Y329 AromaticContact CE1-CD1 3.64Å; Y327-Y329 HydrophobicContact CE1-CD1 3.64Å; Y327-Y329 HydrophobicContact CE1-CD2 4.23Å; Y327-Y329 AromaticContact CE1-CE1 3.54Å; Y327-Y329 HydrophobicContact CE1-CE1 3.54Å; Y327-Y329 HydrophobicContact CE1-CE2 4.17Å; Y327-Y329 AromaticContact CE1-CG 3.99Å; Y327-Y329 HydrophobicContact CE1-CG 3.99Å; Y327-Y329 AromaticContact CE1-CZ 3.83Å; Y327-N335 WeakPolarHBondContact CA-OD1 3.49Å; Y327-N335 HydrophobicContact CD2-CB 4.43Å; Y327-N335 HydrophobicContact CE2-CB 4.35Å
328	S	93.1	Very high	93.2	Very high	2 Å²	2	41 Å²	41	1%	0.014	23%	0.227	C	C	.	.			trans	-122.9	127.3	178.8	169.6	0	0	0	0	111.1	A330 A333 N335 H605	S328-A330 WeakPolarHBondContact OG-CB 3.1Å; S328-A330 PolarHBondContact OG-N 3.45Å; S328-A333 WeakPolarHBondContact OG-CB 3.49Å; S328-N335 PolarHBondContact N-OD1 2.89Å; S328-N335 PolarHBondContact O-ND2 2.86Å; S328-H605 CarbonylContact C-O 3.55Å; S328-H605 VanDerWaalsContact CA-O 3.3Å; S328-H605 WeakPolarHBondContact CA-O 3.35Å; S328-H605 PolarHBondContact OG-ND1 2.86Å
329	Y	92.5	Very high	93.3	Very high	140 Å²	140	40.9 Å²	40.9	55%	0.549	23%	0.227	S	C	.	.			trans	-89	-5	172.6	-62.6	-85	0	0	0	113.2	Y327 H605 R606 G608	Y327-Y329 HydrophobicContact CD1-CD1 4.2Å; Y327-Y329 AromaticContact CD1-CD2 3.99Å; Y327-Y329 HydrophobicContact CD1-CD2 3.99Å; Y327-Y329 AromaticContact CD1-CE1 3.96Å; Y327-Y329 HydrophobicContact CD1-CE1 3.96Å; Y327-Y329 AromaticContact CD1-CE2 3.75Å; Y327-Y329 HydrophobicContact CD1-CE2 3.75Å; Y327-Y329 HydrophobicContact CD1-CG 4.22Å; Y327-Y329 AromaticContact CD1-CZ 3.72Å; Y327-Y329 AromaticContact CE1-CD1 3.64Å; Y327-Y329 HydrophobicContact CE1-CD1 3.64Å; Y327-Y329 HydrophobicContact CE1-CD2 4.23Å; Y327-Y329 AromaticContact CE1-CE1 3.54Å; Y327-Y329 HydrophobicContact CE1-CE1 3.54Å; Y327-Y329 HydrophobicContact CE1-CE2 4.17Å; Y327-Y329 AromaticContact CE1-CG 3.99Å; Y327-Y329 HydrophobicContact CE1-CG 3.99Å; Y327-Y329 AromaticContact CE1-CZ 3.83Å; Y329-H605 PolarHBondContact N-O 3.32Å; Y329-R606 WeakPolarHBondContact CD2-O 3.34Å; Y329-R606 WeakPolarHBondContact CE2-O 3.44Å; Y329-G608 WeakPolarHBondContact O-CA 3.33Å
330	A	89.2	Confident	93.3	Very high	9 Å²	9	41.3 Å²	41.3	7%	0.074	23%	0.231	C	C	.	.	S	Bend	trans	-59.6	138.6	177.2	0	0	0	0	0	111	S328 G332 A333 L604	S328-A330 WeakPolarHBondContact OG-CB 3.1Å; S328-A330 PolarHBondContact OG-N 3.45Å; A330-G332 PolarHBondContact O-N 3.02Å; A330-A333 HydrophobicContact CB-CB 4.02Å; A330-A333 WeakPolarHBondContact O-CB 3.41Å; A330-A333 PolarHBondContact O-N 3.4Å; A330-A333 VanDerWaalsContact O-N 3.1Å; A330-L604 HydrophobicContact CB-CD2 4.25Å; A330-L604 HydrophobicContact CB-CG 3.78Å; A330-L604 PolarHBondContact N-O 2.77Å
331	P	87.9	Confident	93.4	Very high	111 Å²	111	40.6 Å²	40.6	72%	0.721	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	130.4	179.3	-25.2	34.1	0	0	0	112.4	A333	P331-A333 PolarHBondContact O-N 3.34Å
332	G	88.1	Confident	93.5	Very high	53 Å²	53	40.2 Å²	40.2	55%	0.546	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	12.4	179.9	0	0	0	0	0	114.8	A330 N384	A330-G332 PolarHBondContact O-N 3.02Å; G332-N384 PolarHBondContact O-ND2 2.86Å; G332-N384 PolarHBondContact O-OD1 2.04Å
333	A	91.5	Very high	93.5	Very high	17 Å²	17	40.3 Å²	40.3	14%	0.14	22%	0.223	C	C	.	.			trans	-73	133.6	177	0	0	0	0	0	112	S328 A330 P331 N335	S328-A333 WeakPolarHBondContact OG-CB 3.49Å; A330-A333 HydrophobicContact CB-CB 4.02Å; A330-A333 WeakPolarHBondContact O-CB 3.41Å; A330-A333 PolarHBondContact O-N 3.4Å; A330-A333 VanDerWaalsContact O-N 3.1Å; P331-A333 PolarHBondContact O-N 3.34Å; A333-N335 PolarHBondContact O-N 2.04Å; A333-N335 PolarHBondContact O-ND2 3.47Å; A333-N335 VanDerWaalsContact O-ND2 3.13Å
334	V	94.2	Very high	93.6	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	22%	0.221	C	C	.	.			trans	-71.7	121.4	175.9	-179.6	0	0	0	0	109.9	D338 I339 L381 W387 R452	V334-D338 HydrophobicContact CG1-CB 4.22Å; V334-I339 HydrophobicContact CG1-CD1 4.11Å; V334-I339 HydrophobicContact CG1-CG1 3.62Å; V334-L381 HydrophobicContact CB-CD1 4.11Å; V334-L381 HydrophobicContact CG1-CD1 3.86Å; V334-L381 WeakPolarHBondContact CG2-O 3.35Å; V334-W387 HydrophobicContact CB-CG 4.33Å; V334-W387 HydrophobicContact CG1-CB 4.11Å; V334-W387 HydrophobicContact CG1-CD2 3.74Å; V334-W387 HydrophobicContact CG1-CE3 4.21Å; V334-W387 HydrophobicContact CG1-CG 3.67Å; V334-W387 HydrophobicContact CG2-CB 3.91Å; V334-W387 HydrophobicContact CG2-CD2 4.46Å; V334-W387 HydrophobicContact CG2-CG 3.63Å; V334-R452 PolarHBondContact O-NH1 3.13Å; V334-R452 PolarHBondContact O-NH2 2.97Å; V334-R452 VanDerWaalsContact O-NH2 3.13Å
335	N	94	Very high	93.8	Very high	14 Å²	14	36.5 Å²	36.5	8%	0.075	20%	0.201	C	C	.	.			trans	-115.8	175.9	-177.8	-80.2	-63.3	0	0	0	112.2	Y327 S328 A333 K337 D338 I339	Y327-N335 WeakPolarHBondContact CA-OD1 3.49Å; Y327-N335 HydrophobicContact CD2-CB 4.43Å; Y327-N335 HydrophobicContact CE2-CB 4.35Å; S328-N335 PolarHBondContact N-OD1 2.89Å; S328-N335 PolarHBondContact O-ND2 2.86Å; A333-N335 PolarHBondContact O-N 2.04Å; A333-N335 PolarHBondContact O-ND2 3.47Å; A333-N335 VanDerWaalsContact O-ND2 3.13Å; N335-K337 PolarHBondContact O-N 2.97Å; N335-D338 PolarHBondContact N-OD2 3.45Å; N335-D338 PolarHBondContact O-N 2.89Å; N335-D338 VanDerWaalsContact O-N 3.08Å; N335-I339 WeakPolarHBondContact O-CG1 3.35Å; N335-I339 PolarHBondContact O-N 2.81Å; N335-I339 VanDerWaalsContact O-N 3.09Å
336	A	93.6	Very high	93.9	Very high	29 Å²	29	36.3 Å²	36.3	24%	0.24	20%	0.2	C	C	.	.	H	α-helix	trans	-54.8	-38.1	-178.6	0	0	0	0	0	113.2	L45 N340	L45-A336 HydrophobicContact CD1-CB 4.21Å; A336-N340 WeakPolarHBondContact O-CB 2.95Å; A336-N340 PolarHBondContact O-N 3.28Å; A336-N340 PolarHBondContact O-OD1 3.1Å
337	K	93	Very high	94.1	Very high	102 Å²	102	34.6 Å²	34.6	44%	0.443	19%	0.188	S	C	.	.	H	α-helix	trans	-54.7	-54.8	174.4	174	179.6	177.6	-167.5	0	111	F48 N335 I339 N340 T341	F48-K337 HydrophobicContact CE1-CB 4.4Å; F48-K337 HydrophobicContact CE1-CD 4.28Å; F48-K337 HydrophobicContact CE1-CG 3.72Å; F48-K337 HydrophobicContact CZ-CG 4.15Å; N335-K337 PolarHBondContact O-N 2.97Å; K337-I339 PolarHBondContact O-N 2.98Å; K337-N340 PolarHBondContact O-N 3.39Å; K337-T341 WeakPolarHBondContact O-CG2 3.44Å; K337-T341 PolarHBondContact O-N 2.79Å; K337-T341 PolarHBondContact O-OG1 3.02Å
338	D	94.4	Very high	94.3	Very high	39 Å²	39	27.8 Å²	27.8	21%	0.209	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-45.8	-174.3	-44.8	-54	0	0	0	110.4	V334 N335 T341 T342 W387	V334-D338 HydrophobicContact CG1-CB 4.22Å; N335-D338 PolarHBondContact N-OD2 3.45Å; N335-D338 PolarHBondContact O-N 2.89Å; N335-D338 VanDerWaalsContact O-N 3.08Å; D338-T341 PolarHBondContact O-OG1 2.83Å; D338-T342 VanDerWaalsContact O-CB 3.27Å; D338-T342 WeakPolarHBondContact O-CB 3.37Å; D338-T342 PolarHBondContact O-N 2.72Å; D338-T342 PolarHBondContact O-OG1 3.3Å; D338-W387 HydrophobicContact CB-CB 4.39Å
339	I	95.4	Very high	94.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-50.8	179.2	-61.9	168	0	0	0	111	I323 I325 V334 N335 K337 T341 T342 L343 L381 W387	I323-I339 HydrophobicContact CG2-CG2 3.59Å; I325-I339 HydrophobicContact CG2-CD1 3.76Å; V334-I339 HydrophobicContact CG1-CD1 4.11Å; V334-I339 HydrophobicContact CG1-CG1 3.62Å; N335-I339 WeakPolarHBondContact O-CG1 3.35Å; N335-I339 PolarHBondContact O-N 2.81Å; N335-I339 VanDerWaalsContact O-N 3.09Å; K337-I339 PolarHBondContact O-N 2.98Å; I339-T341 PolarHBondContact O-N 3.46Å; I339-T342 PolarHBondContact O-N 2.97Å; I339-L343 HydrophobicContact CG2-CD1 3.82Å; I339-L343 HydrophobicContact CG2-CG 4.26Å; I339-L343 WeakPolarHBondContact O-CB 3.47Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.31Å; I339-L343 PolarHBondContact O-N 3.28Å; I339-L381 HydrophobicContact CD1-CD1 3.98Å; I339-W387 HydrophobicContact CB-CZ3 4.16Å; I339-W387 HydrophobicContact CG1-CE3 4.18Å; I339-W387 HydrophobicContact CG1-CH2 4.34Å; I339-W387 HydrophobicContact CG1-CZ3 3.95Å; I339-W387 HydrophobicContact CG2-CZ3 4.15Å
340	N	95.3	Very high	94.7	Very high	34 Å²	34	22 Å²	22	18%	0.182	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-42.7	-176.5	-71.2	-4.3	0	0	0	111.3	I112 A336 K337 Y344	I112-N340 HydrophobicContact CD1-CB 3.56Å; A336-N340 WeakPolarHBondContact O-CB 2.95Å; A336-N340 PolarHBondContact O-N 3.28Å; A336-N340 PolarHBondContact O-OD1 3.1Å; K337-N340 PolarHBondContact O-N 3.39Å; N340-Y344 VanDerWaalsContact O-CB 3.32Å; N340-Y344 WeakPolarHBondContact O-CB 3.47Å; N340-Y344 PolarHBondContact O-N 3.08Å
341	T	96	Very high	94.9	Very high	8 Å²	8	22.3 Å²	22.3	5%	0.049	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-43.1	175.6	52.5	0	0	0	0	111.7	F48 L59 K337 D338 I339 Y344 Y345	F48-T341 HydrophobicContact CD2-CG2 3.9Å; F48-T341 HydrophobicContact CE1-CG2 4.42Å; F48-T341 HydrophobicContact CE2-CG2 3.42Å; F48-T341 VanDerWaalsContact CE2-CG2 3.42Å; F48-T341 HydrophobicContact CZ-CG2 3.72Å; L59-T341 HydrophobicContact CD1-CG2 4.48Å; L59-T341 HydrophobicContact CD2-CG2 4.19Å; K337-T341 WeakPolarHBondContact O-CG2 3.44Å; K337-T341 PolarHBondContact O-N 2.79Å; K337-T341 PolarHBondContact O-OG1 3.02Å; D338-T341 PolarHBondContact O-OG1 2.83Å; I339-T341 PolarHBondContact O-N 3.46Å; T341-Y344 WeakPolarHBondContact O-CB 3.44Å; T341-Y344 PolarHBondContact O-N 3.31Å; T341-Y345 WeakPolarHBondContact O-CD2 3.41Å; T341-Y345 PolarHBondContact O-N 3.41Å
342	T	96.8	Very high	95	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-62.1	-48.6	178.7	-70.8	0	0	0	0	111.6	D338 I339 Y344 Y345 I346 W387 L399 W403	D338-T342 VanDerWaalsContact O-CB 3.27Å; D338-T342 WeakPolarHBondContact O-CB 3.37Å; D338-T342 PolarHBondContact O-N 2.72Å; D338-T342 PolarHBondContact O-OG1 3.3Å; I339-T342 PolarHBondContact O-N 2.97Å; T342-Y344 VanDerWaalsContact C-N 3.27Å; T342-Y344 PolarHBondContact O-N 3.04Å; T342-Y345 PolarHBondContact O-N 3.3Å; T342-I346 HydrophobicContact CG2-CD1 3.8Å; T342-I346 VanDerWaalsContact O-CG1 3.3Å; T342-I346 WeakPolarHBondContact O-CG1 3.35Å; T342-I346 PolarHBondContact O-N 3.09Å; T342-W387 HydrophobicContact CG2-CE3 3.84Å; T342-W387 HydrophobicContact CG2-CZ3 3.78Å; T342-L399 HydrophobicContact CG2-CD1 4.31Å; T342-L399 HydrophobicContact CG2-CD2 4.35Å; T342-W403 HydrophobicContact CG2-CZ2 4Å
343	L	97.1	Very high	94.8	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-57.9	-41.5	175.6	-71.5	176.2	0	0	0	111.5	W319 I339 I346 A347 V427	W319-L343 HydrophobicContact CH2-CB 3.81Å; W319-L343 HydrophobicContact CZ3-CB 3.9Å; W319-L343 HydrophobicContact CZ3-CD1 4.11Å; I339-L343 HydrophobicContact CG2-CD1 3.82Å; I339-L343 HydrophobicContact CG2-CG 4.26Å; I339-L343 WeakPolarHBondContact O-CB 3.47Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.31Å; I339-L343 PolarHBondContact O-N 3.28Å; L343-I346 PolarHBondContact O-N 3.25Å; L343-A347 VanDerWaalsContact O-CB 3.27Å; L343-A347 WeakPolarHBondContact O-CB 3.32Å; L343-A347 PolarHBondContact O-N 2.83Å; L343-V427 HydrophobicContact CD2-CB 4.06Å; L343-V427 HydrophobicContact CD2-CG1 3.47Å; L343-V427 VanDerWaalsContact CD2-CG1 3.47Å
344	Y	98.1	Very high	93.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-48.1	176.6	174.8	-98.2	0	0	0	113	F62 L110 I112 W315 W319 N340 T341 T342 A347 S348	F62-Y344 WeakPolarHBondContact O-CE1 3.24Å; F62-Y344 PolarHBondContact O-OH 3.41Å; L110-Y344 HydrophobicContact CD1-CE1 3.73Å; L110-Y344 HydrophobicContact CD2-CD1 4.2Å; L110-Y344 HydrophobicContact CD2-CE1 4Å; L110-Y344 HydrophobicContact CG-CE1 4.17Å; I112-Y344 HydrophobicContact CB-CD1 4.45Å; I112-Y344 HydrophobicContact CB-CD2 3.61Å; I112-Y344 HydrophobicContact CB-CE2 4.21Å; I112-Y344 HydrophobicContact CB-CG 3.73Å; I112-Y344 HydrophobicContact CG2-CD1 3.77Å; I112-Y344 HydrophobicContact CG2-CD2 3.85Å; I112-Y344 HydrophobicContact CG2-CE1 4.27Å; I112-Y344 HydrophobicContact CG2-CE2 4.32Å; I112-Y344 HydrophobicContact CG2-CG 3.53Å; I112-Y344 WeakPolarHBondContact O-CD2 3.34Å; W315-Y344 AromaticContact CH2-CD2 3.71Å; W315-Y344 HydrophobicContact CH2-CD2 3.71Å; W315-Y344 AromaticContact CH2-CE2 3.67Å; W315-Y344 HydrophobicContact CH2-CE2 3.67Å; W315-Y344 HydrophobicContact CZ2-CD2 4.49Å; W315-Y344 HydrophobicContact CZ2-CE2 4.01Å; W315-Y344 AromaticContact CZ3-CD2 3.83Å; W315-Y344 HydrophobicContact CZ3-CD2 3.83Å; W315-Y344 HydrophobicContact CZ3-CE2 4.13Å; W319-Y344 HydrophobicContact CZ2-CD2 4.5Å; N340-Y344 VanDerWaalsContact O-CB 3.32Å; N340-Y344 WeakPolarHBondContact O-CB 3.47Å; N340-Y344 PolarHBondContact O-N 3.08Å; T341-Y344 WeakPolarHBondContact O-CB 3.44Å; T341-Y344 PolarHBondContact O-N 3.31Å; T342-Y344 VanDerWaalsContact C-N 3.27Å; T342-Y344 PolarHBondContact O-N 3.04Å; Y344-A347 PolarHBondContact O-N 2.7Å; Y344-S348 WeakPolarHBondContact O-CB 3.23Å; Y344-S348 PolarHBondContact O-N 2.94Å; Y344-S348 PolarHBondContact O-OG 2.9Å
345	Y	97.9	Very high	92.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-40.4	178.9	-72.2	-69	0	0	0	111.9	L59 L60 F62 T341 T342 A347 S348 N349 V390 M396	L59-Y345 HydrophobicContact CD1-CE2 4.12Å; L59-Y345 WeakPolarHBondContact CD1-OH 3.12Å; L59-Y345 WeakPolarHBondContact CG-OH 3.45Å; L60-Y345 PolarHBondContact O-OH 3.27Å; F62-Y345 HydrophobicContact CB-CD1 4.3Å; F62-Y345 HydrophobicContact CB-CE1 3.8Å; F62-Y345 HydrophobicContact CD1-CD1 4.37Å; T341-Y345 WeakPolarHBondContact O-CD2 3.41Å; T341-Y345 PolarHBondContact O-N 3.41Å; T342-Y345 PolarHBondContact O-N 3.3Å; Y345-A347 VanDerWaalsContact C-N 3.35Å; Y345-S348 PolarHBondContact O-N 3.26Å; Y345-N349 WeakPolarHBondContact O-CB 3.47Å; Y345-N349 PolarHBondContact O-N 3.45Å; Y345-N349 VanDerWaalsContact O-N 3.08Å; Y345-N349 PolarHBondContact O-ND2 2.9Å; Y345-V390 HydrophobicContact CD1-CG1 4.26Å; Y345-V390 HydrophobicContact CD1-CG2 4.5Å; Y345-V390 HydrophobicContact CD2-CB 3.89Å; Y345-V390 HydrophobicContact CD2-CG1 4.47Å; Y345-V390 HydrophobicContact CD2-CG2 3.51Å; Y345-V390 HydrophobicContact CE1-CB 4.15Å; Y345-V390 HydrophobicContact CE1-CG1 3.87Å; Y345-V390 HydrophobicContact CE2-CB 3.49Å; Y345-V390 VanDerWaalsContact CE2-CB 3.49Å; Y345-V390 HydrophobicContact CE2-CG1 4.14Å; Y345-V390 HydrophobicContact CE2-CG2 3.66Å; Y345-V390 HydrophobicContact CG-CB 4.42Å; Y345-V390 HydrophobicContact CG-CG2 3.99Å; Y345-M396 HydrophobicContact CD1-CG 4.17Å; Y345-M396 HydrophobicContact CD1-SD 3.97Å
346	I	97.7	Very high	90.8	Very high	11 Å²	11	24.8 Å²	24.8	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-49.1	174.2	-67.5	168.7	0	0	0	110.2	T342 L343 S348 N349 T350 I400 W403 V423 V427	T342-I346 HydrophobicContact CG2-CD1 3.8Å; T342-I346 VanDerWaalsContact O-CG1 3.3Å; T342-I346 WeakPolarHBondContact O-CG1 3.35Å; T342-I346 PolarHBondContact O-N 3.09Å; L343-I346 PolarHBondContact O-N 3.25Å; I346-S348 PolarHBondContact O-N 2.97Å; I346-N349 PolarHBondContact O-N 3.36Å; I346-T350 WeakPolarHBondContact O-CB 3.37Å; I346-T350 PolarHBondContact O-N 3.3Å; I346-T350 PolarHBondContact O-OG1 3.42Å; I346-I400 HydrophobicContact CB-CD1 4.29Å; I346-I400 HydrophobicContact CG1-CD1 3.81Å; I346-W403 HydrophobicContact CD1-CB 4.13Å; I346-W403 HydrophobicContact CD1-CD2 3.77Å; I346-W403 HydrophobicContact CD1-CE3 4.42Å; I346-W403 HydrophobicContact CD1-CG 3.6Å; I346-W403 HydrophobicContact CG1-CG 4.38Å; I346-V423 HydrophobicContact CG2-CG1 3.34Å; I346-V427 HydrophobicContact CD1-CG2 4.04Å
347	A	97.3	Very high	89.4	Confident	3 Å²	3	28.4 Å²	28.4	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-38.5	179.6	0	0	0	0	0	112.5	R141 W315 L318 L343 Y344 Y345 N349 T350 V420	R141-A347 PolarHBondContact NH1-O 2.85Å; R141-A347 PolarHBondContact NH2-O 3.44Å; W315-A347 HydrophobicContact CH2-CB 3.7Å; W315-A347 HydrophobicContact CZ3-CB 3.61Å; L318-A347 HydrophobicContact CD2-CB 3.61Å; L343-A347 VanDerWaalsContact O-CB 3.27Å; L343-A347 WeakPolarHBondContact O-CB 3.32Å; L343-A347 PolarHBondContact O-N 2.83Å; Y344-A347 PolarHBondContact O-N 2.7Å; Y345-A347 VanDerWaalsContact C-N 3.35Å; A347-N349 PolarHBondContact O-N 3.45Å; A347-T350 PolarHBondContact O-N 3.35Å; A347-T350 VanDerWaalsContact O-O 3.07Å; A347-V420 HydrophobicContact CB-CG2 3.9Å
348	S	97.8	Very high	87.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-25.1	178.5	-59.8	0	0	0	0	112.7	G64 N65 G66 Y344 Y345 I346	G64-S348 CarbonylContact C-O 3.52Å; G64-S348 WeakPolarHBondContact CA-O 3.42Å; G64-S348 WeakPolarHBondContact O-CA 3.49Å; N65-S348 PolarHBondContact N-O 3.47Å; G66-S348 PolarHBondContact N-O 2.83Å; Y344-S348 WeakPolarHBondContact O-CB 3.23Å; Y344-S348 PolarHBondContact O-N 2.94Å; Y344-S348 PolarHBondContact O-OG 2.9Å; Y345-S348 PolarHBondContact O-N 3.26Å; I346-S348 PolarHBondContact O-N 2.97Å
349	N	97.2	Very high	86.7	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.7	177	-81.4	-90.3	0	0	0	113.8	F84 L85 Y345 I346 A347 I400	F84-N349 HydrophobicContact CB-CB 4.38Å; L85-N349 VanDerWaalsContact CB-OD1 3.29Å; L85-N349 WeakPolarHBondContact CB-OD1 3.33Å; L85-N349 PolarHBondContact N-OD1 3.37Å; Y345-N349 WeakPolarHBondContact O-CB 3.47Å; Y345-N349 PolarHBondContact O-N 3.45Å; Y345-N349 VanDerWaalsContact O-N 3.08Å; Y345-N349 PolarHBondContact O-ND2 2.9Å; I346-N349 PolarHBondContact O-N 3.36Å; A347-N349 PolarHBondContact O-N 3.45Å; N349-I400 HydrophobicContact CB-CD1 4.09Å; N349-I400 HydrophobicContact CB-CG1 4.17Å; N349-I400 HydrophobicContact CB-CG2 4.49Å
350	T	95.6	Very high	85.9	Confident	19 Å²	19	32.5 Å²	32.5	12%	0.117	19%	0.187	C	C	.	.	S	Bend	trans	-116	128.6	-175.6	-53.8	0	0	0	0	110.4	R141 I346 A347 V420 V423	R141-T350 PolarHBondContact NH2-O 3.28Å; I346-T350 WeakPolarHBondContact O-CB 3.37Å; I346-T350 PolarHBondContact O-N 3.3Å; I346-T350 PolarHBondContact O-OG1 3.42Å; A347-T350 PolarHBondContact O-N 3.35Å; A347-T350 VanDerWaalsContact O-O 3.07Å; T350-V420 HydrophobicContact CG2-CB 4.13Å; T350-V423 HydrophobicContact CG2-CB 4.17Å; T350-V423 HydrophobicContact CG2-CG2 3.62Å
351	P	93.2	Very high	85.2	Confident	16 Å²	16	31.7 Å²	31.7	10%	0.104	18%	0.183	C	C	.	.			trans	-70.4	152.3	-179.9	28	-34.6	0	0	0	112.8	N65 F67 L353 G419 V420	N65-P351 WeakPolarHBondContact O-CA 3.31Å; F67-P351 HydrophobicContact CD2-CB 3.83Å; F67-P351 HydrophobicContact CE1-CB 4.3Å; F67-P351 HydrophobicContact CE2-CB 3.28Å; F67-P351 HydrophobicContact CZ-CB 3.55Å; F67-P351 HydrophobicContact CZ-CG 4.45Å; P351-L353 HydrophobicContact CB-CD2 3.87Å; P351-L353 HydrophobicContact CB-CG 4.19Å; P351-L353 HydrophobicContact CG-CD1 4.2Å; P351-L353 HydrophobicContact CG-CD2 3.83Å; P351-L353 HydrophobicContact CG-CG 3.92Å; P351-G419 CarbonylContact O-C 3.54Å; P351-G419 VanDerWaalsContact O-CA 3.27Å; P351-G419 WeakPolarHBondContact O-CA 3.45Å; P351-V420 PolarHBondContact O-N 3.5Å
352	D	90	Very high	84.7	Confident	27 Å²	27	36 Å²	36	14%	0.144	21%	0.206	C	C	.	.			trans	-80.1	115.1	160.1	-165.6	-15.4	0	0	0	108.3	L354 V420 Y421	D352-L354 WeakPolarHBondContact OD1-CG 3.47Å; D352-L354 PolarHBondContact OD1-N 3.46Å; D352-V420 HydrophobicContact CB-CG1 4.37Å; D352-Y421 WeakPolarHBondContact OD1-CE2 3.41Å; D352-Y421 WeakPolarHBondContact OD2-CE2 3.36Å; D352-Y421 PolarHBondContact OD2-OH 2.72Å
353	L	85	Confident	84.1	Confident	84 Å²	84	40.5 Å²	40.5	44%	0.44	23%	0.226	S	C	.	.			trans	-110.7	14.2	-175.7	-62	-179.1	0	0	0	112.4	F67 P351 S355 Q417	F67-L353 HydrophobicContact CZ-CD2 4.18Å; P351-L353 HydrophobicContact CB-CD2 3.87Å; P351-L353 HydrophobicContact CB-CG 4.19Å; P351-L353 HydrophobicContact CG-CD1 4.2Å; P351-L353 HydrophobicContact CG-CD2 3.83Å; P351-L353 HydrophobicContact CG-CG 3.92Å; L353-S355 PolarHBondContact O-N 3.29Å; L353-Q417 WeakPolarHBondContact CD1-O 3.42Å
354	L	72.7	Confident	83.5	Confident	34 Å²	34	41.6 Å²	41.6	18%	0.178	23%	0.231	C	C	.	.			trans	-65.5	118.4	175.9	-69.2	174.4	0	0	0	110.5	D352 L356 Y421 F524 F525	D352-L354 WeakPolarHBondContact OD1-CG 3.47Å; D352-L354 PolarHBondContact OD1-N 3.46Å; L354-L356 HydrophobicContact CB-CD2 4.35Å; L354-Y421 HydrophobicContact CD1-CD2 3.59Å; L354-Y421 HydrophobicContact CD1-CE2 3.24Å; L354-Y421 HydrophobicContact CG-CD2 3.96Å; L354-Y421 HydrophobicContact CG-CE2 3.96Å; L354-F524 HydrophobicContact CD2-CE1 4.12Å; L354-F525 HydrophobicContact CD1-CD2 4.39Å; L354-F525 HydrophobicContact CD1-CE2 3.33Å; L354-F525 HydrophobicContact CD1-CZ 3.57Å; L354-F525 HydrophobicContact CD2-CZ 4.11Å; L354-F525 HydrophobicContact CG-CZ 4.44Å
355	S	64.7	Low	83	Confident	66 Å²	66	44.3 Å²	44.3	46%	0.462	24%	0.242	S	C	.	.			trans	-81.2	126.8	164.2	-176.3	0	0	0	0	108.5	L353 A360	L353-S355 PolarHBondContact O-N 3.29Å; S355-A360 WeakPolarHBondContact O-CB 3.43Å
356	L	58.2	Low	82.5	Confident	42 Å²	42	49.6 Å²	49.6	22%	0.22	27%	0.27	C	S	.	.			trans	-95.3	12.7	-166.6	-65.8	177.1	0	0	0	114.5	L354 Y517 E520 A521	L354-L356 HydrophobicContact CB-CD2 4.35Å; L356-Y517 HydrophobicContact CD1-CD1 3.92Å; L356-E520 HydrophobicContact CB-CB 4.05Å; L356-E520 HydrophobicContact CD1-CB 4.05Å; L356-E520 HydrophobicContact CD2-CB 4.3Å; L356-E520 HydrophobicContact CG-CB 4.35Å; L356-A521 VanDerWaalsContact CD2-CA 3.48Å; L356-A521 HydrophobicContact CD2-CB 3.6Å
357	N	64.2	Low	81.8	Confident	104 Å²	104	53.9 Å²	53.9	56%	0.556	29%	0.285	S	S	*	.	S	Bend	trans	-81.1	153	179	-66	-1.4	0	0	0	111.7	S359 A360	N357-S359 VanDerWaalsContact C-N 3.26Å; N357-S359 PolarHBondContact O-N 3.32Å; N357-A360 WeakPolarHBondContact O-CA 3.39Å; N357-A360 WeakPolarHBondContact O-CB 3.27Å; N357-A360 PolarHBondContact O-N 3.35Å
358	N	59.6	Low	81.3	Confident	144 Å²	144	53.9 Å²	53.9	77%	0.77	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.9	175.8	-78.1	-20	0	0	0	113.3	A360 I361	N358-A360 PolarHBondContact O-N 3.34Å; N358-A360 VanDerWaalsContact O-N 3.16Å; N358-I361 PolarHBondContact O-N 2.97Å
359	S	71.1	Confident	80.5	Confident	77 Å²	77	62.3 Å²	62.3	54%	0.538	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-22.5	172.4	59.8	0	0	0	0	112.8	N357 I361 E363	N357-S359 VanDerWaalsContact C-N 3.26Å; N357-S359 PolarHBondContact O-N 3.32Å; S359-I361 VanDerWaalsContact C-N 3.34Å; S359-E363 WeakPolarHBondContact O-CB 3.42Å; S359-E363 PolarHBondContact O-N 3.22Å; S359-E363 VanDerWaalsContact O-N 3.13Å
360	A	78.7	Confident	79.8	Confident	7 Å²	7	66.3 Å²	66.3	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-72.6	-24.4	-179.6	0	0	0	0	0	112.9	S355 N357 N358 Y364	S355-A360 WeakPolarHBondContact O-CB 3.43Å; N357-A360 WeakPolarHBondContact O-CA 3.39Å; N357-A360 WeakPolarHBondContact O-CB 3.27Å; N357-A360 PolarHBondContact O-N 3.35Å; N358-A360 PolarHBondContact O-N 3.34Å; N358-A360 VanDerWaalsContact O-N 3.16Å; A360-Y364 WeakPolarHBondContact O-CB 3.13Å; A360-Y364 PolarHBondContact O-N 3.48Å
361	I	81.3	Confident	79.2	Confident	17 Å²	17	65.7 Å²	65.7	9%	0.087	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-48.3	176.3	-66.7	176	0	0	0	110.2	N358 S359 Y364 K365 F524 K527 L528	N358-I361 PolarHBondContact O-N 2.97Å; S359-I361 VanDerWaalsContact C-N 3.34Å; I361-Y364 WeakPolarHBondContact O-CB 3.03Å; I361-Y364 PolarHBondContact O-N 3.24Å; I361-K365 HydrophobicContact CG2-CD 4.23Å; I361-K365 WeakPolarHBondContact O-CG 3.26Å; I361-K365 PolarHBondContact O-N 3.41Å; I361-F524 HydrophobicContact CB-CE2 4.24Å; I361-F524 HydrophobicContact CD1-CD2 4.28Å; I361-F524 HydrophobicContact CG1-CD2 3.46Å; I361-F524 VanDerWaalsContact CG1-CD2 3.46Å; I361-F524 HydrophobicContact CG1-CE2 3.5Å; I361-F524 VanDerWaalsContact CG1-CE2 3.5Å; I361-F524 HydrophobicContact CG1-CG 4.44Å; I361-F524 HydrophobicContact CG1-CZ 4.48Å; I361-K527 HydrophobicContact CD1-CB 4.02Å; I361-K527 HydrophobicContact CD1-CG 3.62Å; I361-L528 HydrophobicContact CG2-CD1 4.4Å
362	D	84	Confident	78.5	Confident	99 Å²	99	65.8 Å²	65.8	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-68	-40.1	179.6	-67.4	-31	0	0	0	111	Y364 K365 L366	D362-Y364 VanDerWaalsContact C-N 3.32Å; D362-Y364 PolarHBondContact O-N 3.07Å; D362-K365 PolarHBondContact O-N 2.52Å; D362-L366 WeakPolarHBondContact O-CG 3.41Å; D362-L366 PolarHBondContact O-N 2.82Å
363	E	84.7	Confident	78.3	Confident	95 Å²	95	68.3 Å²	68.3	44%	0.444	34%	0.344	S	S	.	.	H	α-helix	trans	-59.5	-42.6	172	-169.2	-174.4	168.2	0	0	111.9	S359 L366 R367	S359-E363 WeakPolarHBondContact O-CB 3.42Å; S359-E363 PolarHBondContact O-N 3.22Å; S359-E363 VanDerWaalsContact O-N 3.13Å; E363-L366 PolarHBondContact O-N 3.28Å; E363-R367 VanDerWaalsContact CD-NH2 3.31Å; E363-R367 WeakPolarHBondContact O-CB 3.47Å; E363-R367 PolarHBondContact O-N 3.42Å; E363-R367 IonicContact OE1-CZ 3.05Å; E363-R367 IonicContact OE1-NH2 3.33Å; E363-R367 PolarHBondContact OE1-NH2 3.01Å
364	Y	85.7	Confident	78.5	Confident	28 Å²	28	64.4 Å²	64.4	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-45.4	175.7	-179.8	-87.4	0	0	0	111.6	A360 I361 D362 L366 R367 Y368 H460 P464 F524 L528	A360-Y364 WeakPolarHBondContact O-CB 3.13Å; A360-Y364 PolarHBondContact O-N 3.48Å; I361-Y364 WeakPolarHBondContact O-CB 3.03Å; I361-Y364 PolarHBondContact O-N 3.24Å; D362-Y364 VanDerWaalsContact C-N 3.32Å; D362-Y364 PolarHBondContact O-N 3.07Å; Y364-L366 VanDerWaalsContact C-N 3.29Å; Y364-L366 PolarHBondContact O-N 3.19Å; Y364-R367 PolarHBondContact O-N 3.44Å; Y364-Y368 AromaticContact CE1-CD2 3.94Å; Y364-Y368 HydrophobicContact CE1-CD2 3.94Å; Y364-Y368 WeakPolarHBondContact O-CB 3.41Å; Y364-Y368 PolarHBondContact O-N 3.46Å; Y364-H460 PolarHBondContact OH-CE1 3.48Å; Y364-P464 HydrophobicContact CE1-CB 4.47Å; Y364-F524 HydrophobicContact CD1-CZ 4.22Å; Y364-F524 HydrophobicContact CD2-CE1 4.5Å; Y364-F524 HydrophobicContact CD2-CZ 4.01Å; Y364-F524 HydrophobicContact CG-CE1 4.47Å; Y364-F524 AromaticContact CG-CZ 3.75Å; Y364-F524 HydrophobicContact CG-CZ 3.75Å; Y364-L528 HydrophobicContact CD1-CD1 4.11Å; Y364-L528 HydrophobicContact CD1-CD2 4.04Å; Y364-L528 HydrophobicContact CE1-CD1 4.39Å; Y364-L528 HydrophobicContact CE1-CD2 3.61Å
365	K	87.2	Confident	79.3	Confident	56 Å²	56	63.2 Å²	63.2	24%	0.243	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-37.9	177.4	-72.9	173	-178	169.2	0	111.9	I361 D362 P464 L528 D531	I361-K365 HydrophobicContact CG2-CD 4.23Å; I361-K365 WeakPolarHBondContact O-CG 3.26Å; I361-K365 PolarHBondContact O-N 3.41Å; D362-K365 PolarHBondContact O-N 2.52Å; K365-P464 HydrophobicContact CB-CG 4.3Å; K365-P464 HydrophobicContact CG-CB 4.11Å; K365-P464 HydrophobicContact CG-CG 3.91Å; K365-L528 HydrophobicContact CG-CD1 4.08Å; K365-D531 IonicContact NZ-OD2 3.63Å; K365-D531 PolarHBondContact NZ-OD2 2.93Å
366	L	85.8	Confident	80.2	Confident	111 Å²	111	65.7 Å²	65.7	58%	0.581	32%	0.316	S	S	*	.	H	α-helix	trans	-66	-49.9	175.1	-72.4	170.7	0	0	0	111.1	D362 E363 Y364 Y368 R369	D362-L366 WeakPolarHBondContact O-CG 3.41Å; D362-L366 PolarHBondContact O-N 2.82Å; E363-L366 PolarHBondContact O-N 3.28Å; Y364-L366 VanDerWaalsContact C-N 3.29Å; Y364-L366 PolarHBondContact O-N 3.19Å; L366-Y368 PolarHBondContact O-N 2.77Å; L366-R369 PolarHBondContact O-N 3.19Å
367	R	84.6	Confident	81.3	Confident	101 Å²	101	66 Å²	66	38%	0.381	33%	0.329	S	S	.	.	H	α-helix	trans	-65.5	-25.4	178.3	-160.5	-173.9	-57.2	144.8	-0.7	112.8	E363 Y364 R369 D370 Y371	E363-R367 VanDerWaalsContact CD-NH2 3.31Å; E363-R367 WeakPolarHBondContact O-CB 3.47Å; E363-R367 PolarHBondContact O-N 3.42Å; E363-R367 IonicContact OE1-CZ 3.05Å; E363-R367 IonicContact OE1-NH2 3.33Å; E363-R367 PolarHBondContact OE1-NH2 3.01Å; Y364-R367 PolarHBondContact O-N 3.44Å; R367-R369 PolarHBondContact O-N 3.28Å; R367-D370 VanDerWaalsContact O-CB 3.27Å; R367-D370 WeakPolarHBondContact O-CB 3.32Å; R367-D370 PolarHBondContact O-N 3.15Å; R367-Y371 WeakPolarHBondContact CD-OH 3.46Å; R367-Y371 HydrophobicContact CG-CE1 4.06Å
368	Y	86.1	Confident	82	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-32.9	179.5	-164.1	-95.3	0	0	0	112.7	Y364 L366 D370 Y371 R429 H460 L461 N462 P464	Y364-Y368 AromaticContact CE1-CD2 3.94Å; Y364-Y368 HydrophobicContact CE1-CD2 3.94Å; Y364-Y368 WeakPolarHBondContact O-CB 3.41Å; Y364-Y368 PolarHBondContact O-N 3.46Å; L366-Y368 PolarHBondContact O-N 2.77Å; Y368-D370 PolarHBondContact O-N 3.01Å; Y368-Y371 AromaticContact CD2-CD2 3.34Å; Y368-Y371 HydrophobicContact CD2-CD2 3.34Å; Y368-Y371 AromaticContact CD2-CE2 3.62Å; Y368-Y371 HydrophobicContact CD2-CE2 3.62Å; Y368-Y371 HydrophobicContact CD2-CG 4.47Å; Y368-Y371 AromaticContact CE2-CD2 3.56Å; Y368-Y371 HydrophobicContact CE2-CD2 3.56Å; Y368-Y371 HydrophobicContact CE2-CE2 4.14Å; Y368-Y371 HydrophobicContact CG-CD2 4.06Å; Y368-Y371 HydrophobicContact CG-CE2 4.44Å; Y368-Y371 WeakPolarHBondContact O-CB 3.46Å; Y368-Y371 PolarHBondContact O-N 3.33Å; Y368-R429 PolarHBondContact OH-NH2 3.14Å; Y368-H460 AromaticContact CD2-CE1 3.7Å; Y368-H460 AromaticContact CE2-CE1 2.95Å; Y368-H460 WeakPolarHBondContact CE2-CE1 3.28Å; Y368-H460 AromaticContact CE2-ND1 3.47Å; Y368-H460 WeakPolarHBondContact CE2-ND1 3.28Å; Y368-H460 AromaticContact CE2-NE2 3.35Å; Y368-H460 WeakPolarHBondContact CE2-NE2 2.98Å; Y368-H460 AromaticContact CZ-CD2 3.72Å; Y368-H460 AromaticContact CZ-CE1 3.4Å; Y368-H460 AromaticContact CZ-ND1 3.86Å; Y368-H460 AromaticContact CZ-NE2 3.27Å; Y368-H460 VanDerWaalsContact CZ-NE2 3.27Å; Y368-H460 PolarHBondContact OH-CD2 2.81Å; Y368-H460 PolarHBondContact OH-NE2 3.08Å; Y368-L461 WeakPolarHBondContact CE1-O 3.21Å; Y368-L461 PolarHBondContact OH-O 3.13Å; Y368-N462 WeakPolarHBondContact CE1-O 3.49Å; Y368-P464 HydrophobicContact CD1-CB 4.2Å; Y368-P464 HydrophobicContact CD1-CG 4.47Å; Y368-P464 HydrophobicContact CG-CB 4.05Å
369	R	81.8	Confident	83.2	Confident	177 Å²	177	61.7 Å²	61.7	67%	0.668	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62.8	-21.3	175.4	-60	179.7	179.2	-176.7	-2.1	112.8	L366 R367 Y371	L366-R369 PolarHBondContact O-N 3.19Å; R367-R369 PolarHBondContact O-N 3.28Å; R369-Y371 VanDerWaalsContact C-N 3.32Å
370	D	82.5	Confident	84.1	Confident	84 Å²	84	58.2 Å²	58.2	45%	0.449	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-81.6	-13.7	177	-80.3	-56.2	0	0	0	112.5	R367 Y368 D372 K414	R367-D370 VanDerWaalsContact O-CB 3.27Å; R367-D370 WeakPolarHBondContact O-CB 3.32Å; R367-D370 PolarHBondContact O-N 3.15Å; Y368-D370 PolarHBondContact O-N 3.01Å; D370-D372 PolarHBondContact O-N 3.08Å; D370-K414 HydrophobicContact CB-CD 3.89Å; D370-K414 VanDerWaalsContact CB-NZ 3.31Å; D370-K414 WeakPolarHBondContact O-CD 3.41Å; D370-K414 WeakPolarHBondContact O-CE 3.29Å; D370-K414 PolarHBondContact O-NZ 3.46Å; D370-K414 IonicContact OD1-NZ 2.9Å; D370-K414 PolarHBondContact OD1-NZ 3.25Å; D370-K414 VanDerWaalsContact OD1-NZ 3.07Å
371	Y	82.8	Confident	84.5	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.027	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-83	9	-177	-56.6	-21.1	0	0	0	114.5	R367 Y368 R369 K414 L415 S418	R367-Y371 WeakPolarHBondContact CD-OH 3.46Å; R367-Y371 HydrophobicContact CG-CE1 4.06Å; Y368-Y371 AromaticContact CD2-CD2 3.34Å; Y368-Y371 HydrophobicContact CD2-CD2 3.34Å; Y368-Y371 AromaticContact CD2-CE2 3.62Å; Y368-Y371 HydrophobicContact CD2-CE2 3.62Å; Y368-Y371 HydrophobicContact CD2-CG 4.47Å; Y368-Y371 AromaticContact CE2-CD2 3.56Å; Y368-Y371 HydrophobicContact CE2-CD2 3.56Å; Y368-Y371 HydrophobicContact CE2-CE2 4.14Å; Y368-Y371 HydrophobicContact CG-CD2 4.06Å; Y368-Y371 HydrophobicContact CG-CE2 4.44Å; Y368-Y371 WeakPolarHBondContact O-CB 3.46Å; Y368-Y371 PolarHBondContact O-N 3.33Å; R369-Y371 VanDerWaalsContact C-N 3.32Å; Y371-K414 HydrophobicContact CD1-CB 3.79Å; Y371-K414 HydrophobicContact CE1-CB 4.11Å; Y371-L415 HydrophobicContact CD1-CD2 4.18Å; Y371-L415 HydrophobicContact CD2-CD2 3.47Å; Y371-L415 VanDerWaalsContact CD2-CD2 3.47Å; Y371-L415 HydrophobicContact CE2-CD2 3.96Å; Y371-L415 HydrophobicContact CG-CD2 3.63Å; Y371-L415 HydrophobicContact CG-CG 4.31Å; Y371-S418 WeakPolarHBondContact CE1-OG 3.2Å; Y371-S418 WeakPolarHBondContact OH-CB 3.47Å; Y371-S418 PolarHBondContact OH-OG 3.29Å
372	D	78.9	Confident	84.6	Confident	18 Å²	18	62.5 Å²	62.5	10%	0.096	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	159.6	174.5	-65.1	-38.1	0	0	0	110.9	D370 H438	D370-D372 PolarHBondContact O-N 3.08Å; D372-H438 PolarHBondContact OD1-N 3.47Å; D372-H438 VanDerWaalsContact OD2-CA 3.31Å; D372-H438 WeakPolarHBondContact OD2-CA 3.47Å; D372-H438 IonicContact OD2-CD2 3.76Å; D372-H438 PolarHBondContact OD2-CD2 3.16Å; D372-H438 IonicContact OD2-CE1 3.17Å; D372-H438 IonicContact OD2-CG 2.75Å; D372-H438 IonicContact OD2-ND1 2.64Å; D372-H438 IonicContact OD2-NE2 2.77Å; D372-H438 PolarHBondContact OD2-NE2 2.84Å
373	Q	85.2	Confident	84.7	Confident	80 Å²	80	59.9 Å²	59.9	37%	0.374	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	25.9	-178.5	-46.8	-174	-1.4	0	0	115.5	R376 Y435 V436	Q373-R376 VanDerWaalsContact CG-NH2 3.3Å; Q373-R376 VanDerWaalsContact OE1-CZ 3.27Å; Q373-Y435 HydrophobicContact CB-CE2 4.33Å; Q373-V436 WeakPolarHBondContact CA-O 3.24Å; Q373-V436 PolarHBondContact N-O 3.22Å
374	C	88.3	Confident	84.8	Confident	2 Å²	2	59 Å²	59	1%	0.014	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-124.9	125.3	173.3	162.3	0	0	0	0	109.9	C412 L415 R429 V436	C374-C412 HydrophobicContact CB-CB 3.94Å; C374-C412 WeakPolarHBondContact CB-SG 3.3Å; C374-C412 VanDerWaalsContact SG-CA 3.59Å; C374-C412 WeakPolarHBondContact SG-CB 3.48Å; C374-C412 CovalentContact SG-SG 2.04Å; C374-C412 PolarHBondContact SG-SG 3.33Å; C374-L415 VanDerWaalsContact SG-CD1 3.52Å; C374-R429 PolarHBondContact O-NH1 3.41Å; C374-V436 WeakPolarHBondContact O-CB 3.4Å; C374-V436 PolarHBondContact O-N 3.35Å
375	F	90	Very high	85	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.035	30%	0.304	C	S	.	.			cis	-109	134.3	9.8	172.5	-97.4	0	0	0	112.2	M378 T380 T406 G410 R429 F434 Y435	F375-M378 WeakPolarHBondContact CE1-O 3.34Å; F375-T380 HydrophobicContact CZ-CG2 4.19Å; F375-T406 HydrophobicContact CE2-CG2 4.42Å; F375-T406 HydrophobicContact CZ-CG2 4.47Å; F375-G410 WeakPolarHBondContact CA-O 3.44Å; F375-R429 HydrophobicContact CB-CB 4.1Å; F375-F434 PolarHBondContact N-O 2.95Å; F375-Y435 WeakPolarHBondContact O-CD2 3.29Å
376	R	84.3	Confident	85.4	Confident	118 Å²	118	58.7 Å²	58.7	45%	0.445	29%	0.294	S	S	.	.			trans	-101.9	117.5	172.7	-69.6	179.4	171.4	154.2	0.6	110.7	Q373 G410 Y435	Q373-R376 VanDerWaalsContact CG-NH2 3.3Å; Q373-R376 VanDerWaalsContact OE1-CZ 3.27Å; R376-G410 PolarHBondContact N-O 3.31Å; R376-G410 VanDerWaalsContact O-CA 3.27Å; R376-G410 WeakPolarHBondContact O-CA 3.47Å; R376-Y435 HydrophobicContact CG-CD2 3.72Å; R376-Y435 HydrophobicContact CG-CE2 3.39Å; R376-Y435 PolarHBondContact NE-OH 3.01Å; R376-Y435 PolarHBondContact NH2-OH 3.02Å
377	G	80.7	Confident	85.8	Confident	48 Å²	48	53.9 Å²	53.9	50%	0.495	27%	0.268	S	S	.	.	S	Bend	trans	150.6	-171.8	173.9	0	0	0	0	0	112.8	S433	G377-S433 PolarHBondContact O-OG 3.41Å
378	M	79.5	Confident	86.3	Confident	150 Å²	150	54.1 Å²	54.1	74%	0.739	27%	0.273	S	S	*	.	S	Bend	trans	-77.5	148.9	173	-61.8	-173.4	75.5	0	0	110.6	F375 T380	F375-M378 WeakPolarHBondContact CE1-O 3.34Å; M378-T380 PolarHBondContact O-N 2.94Å
379	Y	84.2	Confident	86.6	Confident	8 Å²	8	57.5 Å²	57.5	3%	0.031	30%	0.296	C	S	.	.			trans	-57.7	136.1	176.6	75.2	-80.8	0	0	0	112	L381 Q382 S430 Y445 P446 S449	Y379-L381 HydrophobicContact CD2-CB 3.82Å; Y379-L381 HydrophobicContact CE2-CB 4.07Å; Y379-L381 PolarHBondContact O-N 2.99Å; Y379-Q382 HydrophobicContact CE2-CB 3.98Å; Y379-Q382 HydrophobicContact CE2-CG 3.67Å; Y379-Q382 WeakPolarHBondContact OH-CG 3.38Å; Y379-Q382 PolarHBondContact OH-NE2 2.84Å; Y379-Q382 PolarHBondContact OH-OE1 3.22Å; Y379-S430 WeakPolarHBondContact CA-O 3.38Å; Y379-Y445 HydrophobicContact CD2-CE2 4.2Å; Y379-Y445 HydrophobicContact CG-CE2 4.44Å; Y379-P446 VanDerWaalsContact CD1-CD 3.48Å; Y379-P446 HydrophobicContact CD1-CG 3.52Å; Y379-P446 HydrophobicContact CE1-CB 4.39Å; Y379-P446 HydrophobicContact CE1-CG 3.64Å; Y379-S449 WeakPolarHBondContact OH-CB 3.48Å; Y379-S449 PolarHBondContact OH-OG 2.89Å
380	T	89	Confident	87.2	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.031	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-82.5	-10.9	-168.1	52.4	0	0	0	0	114.7	F375 M378 Q382 S383 L386 W387 W403 T406 S430 I431	F375-T380 HydrophobicContact CZ-CG2 4.19Å; M378-T380 PolarHBondContact O-N 2.94Å; T380-Q382 VanDerWaalsContact C-N 3.25Å; T380-Q382 PolarHBondContact O-N 2.89Å; T380-S383 PolarHBondContact O-N 3.35Å; T380-L386 HydrophobicContact CG2-CD1 3.95Å; T380-W387 PolarHBondContact O-NE1 3.34Å; T380-W403 HydrophobicContact CG2-CZ3 4.4Å; T380-T406 HydrophobicContact CG2-CG2 3.9Å; T380-S430 PolarHBondContact N-O 2.74Å; T380-S430 VanDerWaalsContact N-O 3.09Å; T380-S430 PolarHBondContact OG1-O 2.85Å; T380-S430 PolarHBondContact OG1-OG 3.09Å; T380-S430 VanDerWaalsContact OG1-OG 3.07Å; T380-I431 WeakPolarHBondContact OG1-CA 2.89Å; T380-I431 PolarHBondContact OG1-N 2.81Å
381	L	88.8	Confident	87.7	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.7	-25.3	-174.8	-165.8	64.7	0	0	0	113.8	I325 V334 I339 Y379 I431 I454	I325-L381 HydrophobicContact CD1-CD1 4.43Å; I325-L381 HydrophobicContact CD1-CD2 3.62Å; V334-L381 HydrophobicContact CB-CD1 4.11Å; V334-L381 HydrophobicContact CG1-CD1 3.86Å; V334-L381 WeakPolarHBondContact CG2-O 3.35Å; I339-L381 HydrophobicContact CD1-CD1 3.98Å; Y379-L381 HydrophobicContact CD2-CB 3.82Å; Y379-L381 HydrophobicContact CE2-CB 4.07Å; Y379-L381 PolarHBondContact O-N 2.99Å; L381-I431 HydrophobicContact CB-CG2 4.34Å; L381-I431 HydrophobicContact CD1-CG2 4.32Å; L381-I454 HydrophobicContact CD2-CD1 4.31Å
382	Q	82	Confident	88.2	Confident	109 Å²	109	49.9 Å²	49.9	51%	0.509	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-81.4	-16.4	175.7	-94.8	-174.5	-14.3	0	0	113.9	Y379 T380 N384	Y379-Q382 HydrophobicContact CE2-CB 3.98Å; Y379-Q382 HydrophobicContact CE2-CG 3.67Å; Y379-Q382 WeakPolarHBondContact OH-CG 3.38Å; Y379-Q382 PolarHBondContact OH-NE2 2.84Å; Y379-Q382 PolarHBondContact OH-OE1 3.22Å; T380-Q382 VanDerWaalsContact C-N 3.25Å; T380-Q382 PolarHBondContact O-N 2.89Å; Q382-N384 PolarHBondContact O-N 3.32Å
383	S	86.8	Confident	88.8	Confident	45 Å²	45	49.9 Å²	49.9	32%	0.315	27%	0.274	S	S	.	.			trans	-83.3	87	-174.9	-171.7	0	0	0	0	110.6	T380 S385 L386	T380-S383 PolarHBondContact O-N 3.35Å; S383-S385 PolarHBondContact O-N 3.24Å; S383-S385 PolarHBondContact OG-OG 3.18Å; S383-L386 WeakPolarHBondContact O-CB 3.3Å; S383-L386 PolarHBondContact O-N 3.44Å
384	N	85.8	Confident	89.2	Confident	76 Å²	76	49.8 Å²	49.8	41%	0.406	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-54.4	-28.2	-177.7	-76.1	2.7	0	0	0	113.7	G332 Q382 L386 W387 Q388	G332-N384 PolarHBondContact O-ND2 2.86Å; G332-N384 PolarHBondContact O-OD1 2.04Å; Q382-N384 PolarHBondContact O-N 3.32Å; N384-L386 PolarHBondContact O-N 2.87Å; N384-W387 PolarHBondContact O-N 3.45Å; N384-W387 VanDerWaalsContact O-N 3.11Å; N384-Q388 PolarHBondContact O-NE2 3.07Å
385	S	90.8	Very high	89.5	Confident	73 Å²	73	51 Å²	51	51%	0.51	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.8	-25.1	176.9	58.6	0	0	0	0	113.6	S383 W387 Q388	S383-S385 PolarHBondContact O-N 3.24Å; S383-S385 PolarHBondContact OG-OG 3.18Å; S385-W387 VanDerWaalsContact C-N 3.31Å; S385-Q388 WeakPolarHBondContact O-CG 3.26Å
386	L	95	Very high	89.7	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-81.5	-9.4	176.1	-63.9	179.3	0	0	0	113.1	T380 S383 N384 L399 W403 T406	T380-L386 HydrophobicContact CG2-CD1 3.95Å; S383-L386 WeakPolarHBondContact O-CB 3.3Å; S383-L386 PolarHBondContact O-N 3.44Å; N384-L386 PolarHBondContact O-N 2.87Å; L386-L399 WeakPolarHBondContact O-CD1 3.38Å; L386-W403 HydrophobicContact CB-CH2 4.49Å; L386-W403 HydrophobicContact CB-CZ2 3.75Å; L386-W403 HydrophobicContact CD1-CH2 4.33Å; L386-W403 HydrophobicContact CD1-CZ2 4.36Å; L386-W403 HydrophobicContact CD1-CZ3 4.5Å; L386-W403 HydrophobicContact CD2-CD2 4.39Å; L386-W403 HydrophobicContact CD2-CG 4.42Å; L386-W403 PolarHBondContact O-NE1 2.94Å; L386-T406 HydrophobicContact CD1-CG2 4.08Å
387	W	95.3	Very high	90.2	Very high	9 Å²	9	46.4 Å²	46.4	3%	0.034	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-120.5	25.4	-174.5	-50.4	102.3	0	0	0	112.3	V334 D338 I339 T342 T380 N384 S385 W403 I431	V334-W387 HydrophobicContact CB-CG 4.33Å; V334-W387 HydrophobicContact CG1-CB 4.11Å; V334-W387 HydrophobicContact CG1-CD2 3.74Å; V334-W387 HydrophobicContact CG1-CE3 4.21Å; V334-W387 HydrophobicContact CG1-CG 3.67Å; V334-W387 HydrophobicContact CG2-CB 3.91Å; V334-W387 HydrophobicContact CG2-CD2 4.46Å; V334-W387 HydrophobicContact CG2-CG 3.63Å; D338-W387 HydrophobicContact CB-CB 4.39Å; I339-W387 HydrophobicContact CB-CZ3 4.16Å; I339-W387 HydrophobicContact CG1-CE3 4.18Å; I339-W387 HydrophobicContact CG1-CH2 4.34Å; I339-W387 HydrophobicContact CG1-CZ3 3.95Å; I339-W387 HydrophobicContact CG2-CZ3 4.15Å; T342-W387 HydrophobicContact CG2-CE3 3.84Å; T342-W387 HydrophobicContact CG2-CZ3 3.78Å; T380-W387 PolarHBondContact O-NE1 3.34Å; N384-W387 PolarHBondContact O-N 3.45Å; N384-W387 VanDerWaalsContact O-N 3.11Å; S385-W387 VanDerWaalsContact C-N 3.31Å; W387-W403 HydrophobicContact CD2-CZ2 4.14Å; W387-W403 AromaticContact CE2-CZ2 3.84Å; W387-W403 HydrophobicContact CE3-CZ2 4.03Å; W387-W403 AromaticContact CH2-CH2 3.48Å; W387-W403 HydrophobicContact CH2-CH2 3.48Å; W387-W403 VanDerWaalsContact CH2-CH2 3.48Å; W387-W403 AromaticContact CH2-CZ2 3.33Å; W387-W403 HydrophobicContact CH2-CZ2 3.33Å; W387-W403 AromaticContact CZ2-CH2 3.51Å; W387-W403 HydrophobicContact CZ2-CH2 3.51Å; W387-W403 AromaticContact CZ2-CZ2 3.46Å; W387-W403 HydrophobicContact CZ2-CZ2 3.46Å; W387-W403 VanDerWaalsContact CZ2-CZ2 3.46Å; W387-W403 HydrophobicContact CZ3-CH2 4.22Å; W387-W403 AromaticContact CZ3-CZ2 3.63Å; W387-W403 HydrophobicContact CZ3-CZ2 3.63Å; W387-I431 HydrophobicContact CH2-CD1 3.73Å; W387-I431 HydrophobicContact CH2-CG1 3.89Å; W387-I431 HydrophobicContact CZ2-CD1 4.38Å; W387-I431 HydrophobicContact CZ2-CG1 4.05Å
388	Q	93.4	Very high	90.9	Very high	107 Å²	107	48.3 Å²	48.3	50%	0.5	27%	0.274	S	S	.	.			trans	-68.4	138	179.9	-64.4	-61.7	-58.9	0	0	111	N384 S385	N384-Q388 PolarHBondContact O-NE2 3.07Å; S385-Q388 WeakPolarHBondContact O-CG 3.26Å
389	P	93	Very high	91.7	Very high	74 Å²	74	41.5 Å²	41.5	48%	0.481	24%	0.24	S	C	.	.			trans	-65.5	139.2	177.7	27.9	-34.6	0	0	0	110.9	T391	P389-T391 PolarHBondContact O-N 2.79Å
390	V	94.8	Very high	92.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.242	C	C	.	.			trans	-90.3	101.8	179.2	179	0	0	0	0	109.7	L59 L60 Y345 S395 M396 L399	L59-V390 CarbonylContact C-O 3.55Å; L59-V390 WeakPolarHBondContact CA-O 3.21Å; L59-V390 WeakPolarHBondContact CD1-O 3.39Å; L60-V390 HydrophobicContact CB-CG1 4.02Å; L60-V390 HydrophobicContact CD2-CG1 4.22Å; L60-V390 PolarHBondContact N-O 2.78Å; Y345-V390 HydrophobicContact CD1-CG1 4.26Å; Y345-V390 HydrophobicContact CD1-CG2 4.5Å; Y345-V390 HydrophobicContact CD2-CB 3.89Å; Y345-V390 HydrophobicContact CD2-CG1 4.47Å; Y345-V390 HydrophobicContact CD2-CG2 3.51Å; Y345-V390 HydrophobicContact CE1-CB 4.15Å; Y345-V390 HydrophobicContact CE1-CG1 3.87Å; Y345-V390 HydrophobicContact CE2-CB 3.49Å; Y345-V390 VanDerWaalsContact CE2-CB 3.49Å; Y345-V390 HydrophobicContact CE2-CG1 4.14Å; Y345-V390 HydrophobicContact CE2-CG2 3.66Å; Y345-V390 HydrophobicContact CG-CB 4.42Å; Y345-V390 HydrophobicContact CG-CG2 3.99Å; V390-S395 WeakPolarHBondContact CA-OG 3.48Å; V390-M396 HydrophobicContact CG1-CB 3.53Å; V390-M396 HydrophobicContact CG1-CG 4.1Å; V390-L399 HydrophobicContact CG2-CB 4.45Å; V390-L399 HydrophobicContact CG2-CD2 3.45Å; V390-L399 VanDerWaalsContact CG2-CD2 3.45Å
391	T	92.7	Very high	92.5	Very high	66 Å²	66	46.2 Å²	46.2	41%	0.405	26%	0.258	S	S	.	.			trans	-101.4	-19.5	-177.7	68.9	0	0	0	0	112.8	S58 P389 S395	S58-T391 WeakPolarHBondContact O-CG2 3.45Å; P389-T391 PolarHBondContact O-N 2.79Å; T391-S395 PolarHBondContact N-OG 2.84Å
392	S	92.9	Very high	92.8	Very high	41 Å²	41	48.3 Å²	48.3	29%	0.287	27%	0.273	S	S	.	.	S	Bend	trans	-149.6	165.6	-177	67.3	0	0	0	0	111.8	S394 S395 M396	S392-S394 VanDerWaalsContact C-N 3.26Å; S392-S394 PolarHBondContact O-N 2.87Å; S392-S395 PolarHBondContact N-OG 2.81Å; S392-S395 PolarHBondContact O-N 2.87Å; S392-S395 VanDerWaalsContact O-N 3.17Å; S392-S395 PolarHBondContact O-OG 3.44Å; S392-S395 PolarHBondContact OG-N 3.19Å; S392-S395 PolarHBondContact OG-OG 3.29Å; S392-M396 PolarHBondContact O-N 2.81Å
393	L	92.6	Very high	93.5	Very high	17 Å²	17	43.3 Å²	43.3	9%	0.089	25%	0.25	C	C	.	.	H	α-helix	trans	-58.4	-38.6	174.9	-69.3	173.1	0	0	0	112.4	L60 F62 E74 L78 S395 M396 H397	L60-L393 HydrophobicContact CD2-CD2 3.76Å; L60-L393 HydrophobicContact CD2-CG 4.24Å; F62-L393 HydrophobicContact CD2-CD2 4.46Å; F62-L393 HydrophobicContact CE2-CD2 4.44Å; E74-L393 HydrophobicContact CB-CD1 3.82Å; E74-L393 HydrophobicContact CB-CG 4.47Å; E74-L393 HydrophobicContact CG-CD1 3.6Å; E74-L393 HydrophobicContact CG-CG 3.94Å; L78-L393 HydrophobicContact CD1-CD1 3.87Å; L78-L393 HydrophobicContact CD1-CD2 3.67Å; L78-L393 HydrophobicContact CD1-CG 4.44Å; L78-L393 HydrophobicContact CD2-CD1 4.23Å; L78-L393 HydrophobicContact CD2-CD2 3.71Å; L78-L393 HydrophobicContact CD2-CG 4.48Å; L78-L393 HydrophobicContact CG-CD1 4.49Å; L78-L393 HydrophobicContact CG-CD2 4.34Å; L393-S395 PolarHBondContact O-N 3.29Å; L393-M396 HydrophobicContact CD2-CE 3.73Å; L393-M396 WeakPolarHBondContact O-CB 3.42Å; L393-M396 PolarHBondContact O-N 2.9Å; L393-H397 PolarHBondContact O-CD2 3.44Å; L393-H397 PolarHBondContact O-N 3.39Å; L393-H397 PolarHBondContact O-ND1 3.03Å
394	S	93	Very high	93.9	Very high	79 Å²	79	45.2 Å²	45.2	55%	0.552	25%	0.25	S	C	*	.	H	α-helix	trans	-62	-43	176.7	-54.8	0	0	0	0	112	S392 M396 H397 N398	S392-S394 VanDerWaalsContact C-N 3.26Å; S392-S394 PolarHBondContact O-N 2.87Å; S394-M396 VanDerWaalsContact C-N 3.34Å; S394-H397 PolarHBondContact O-N 3.26Å; S394-N398 VanDerWaalsContact O-CG 3.27Å; S394-N398 PolarHBondContact O-N 3.36Å; S394-N398 PolarHBondContact O-ND2 2.82Å
395	S	94.2	Very high	94.3	Very high	27 Å²	27	46.4 Å²	46.4	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-37.9	175.5	68.6	0	0	0	0	112.1	V390 T391 S392 L393 N398 L399	V390-S395 WeakPolarHBondContact CA-OG 3.48Å; T391-S395 PolarHBondContact N-OG 2.84Å; S392-S395 PolarHBondContact N-OG 2.81Å; S392-S395 PolarHBondContact O-N 2.87Å; S392-S395 VanDerWaalsContact O-N 3.17Å; S392-S395 PolarHBondContact O-OG 3.44Å; S392-S395 PolarHBondContact OG-N 3.19Å; S392-S395 PolarHBondContact OG-OG 3.29Å; L393-S395 PolarHBondContact O-N 3.29Å; S395-N398 PolarHBondContact O-N 3Å; S395-L399 WeakPolarHBondContact O-CB 3.33Å; S395-L399 PolarHBondContact O-N 3.26Å
396	M	95.2	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-51	173.8	-170.2	-180	65.7	0	0	110.7	F62 L78 Y345 V390 S392 L393 S394 N398 L399 I400	F62-M396 HydrophobicContact CD1-SD 3.82Å; F62-M396 HydrophobicContact CD2-CE 4.21Å; F62-M396 HydrophobicContact CD2-SD 4.01Å; F62-M396 HydrophobicContact CE1-CE 4.3Å; F62-M396 HydrophobicContact CE1-SD 3.87Å; F62-M396 HydrophobicContact CE2-CE 3.79Å; F62-M396 HydrophobicContact CE2-SD 4.08Å; F62-M396 HydrophobicContact CG-SD 3.87Å; F62-M396 HydrophobicContact CZ-CE 3.83Å; F62-M396 HydrophobicContact CZ-SD 3.99Å; L78-M396 HydrophobicContact CD2-CE 4.26Å; Y345-M396 HydrophobicContact CD1-CG 4.17Å; Y345-M396 HydrophobicContact CD1-SD 3.97Å; V390-M396 HydrophobicContact CG1-CB 3.53Å; V390-M396 HydrophobicContact CG1-CG 4.1Å; S392-M396 PolarHBondContact O-N 2.81Å; L393-M396 HydrophobicContact CD2-CE 3.73Å; L393-M396 WeakPolarHBondContact O-CB 3.42Å; L393-M396 PolarHBondContact O-N 2.9Å; S394-M396 VanDerWaalsContact C-N 3.34Å; M396-N398 VanDerWaalsContact C-N 3.26Å; M396-N398 PolarHBondContact O-N 3.2Å; M396-L399 WeakPolarHBondContact O-CB 3.26Å; M396-L399 PolarHBondContact O-N 2.98Å; M396-I400 HydrophobicContact CG-CG1 4.41Å; M396-I400 WeakPolarHBondContact O-CG1 3.45Å; M396-I400 PolarHBondContact O-N 3.38Å
397	H	94.9	Very high	94.5	Very high	30 Å²	30	44.7 Å²	44.7	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-39	179.7	-62.7	163.2	0	0	0	112.1	F84 L85 L393 S394 R401	F84-H397 HydrophobicContact CE2-CB 4.11Å; L85-H397 PolarHBondContact O-CD2 3.42Å; L85-H397 PolarHBondContact O-NE2 2.84Å; L85-H397 VanDerWaalsContact O-NE2 3.13Å; L393-H397 PolarHBondContact O-CD2 3.44Å; L393-H397 PolarHBondContact O-N 3.39Å; L393-H397 PolarHBondContact O-ND1 3.03Å; S394-H397 PolarHBondContact O-N 3.26Å; H397-R401 VanDerWaalsContact O-CB 3.22Å; H397-R401 WeakPolarHBondContact O-CB 3.44Å; H397-R401 PolarHBondContact O-N 2.84Å
398	N	95.1	Very high	94.4	Very high	88 Å²	88	46.5 Å²	46.5	47%	0.471	25%	0.249	S	C	.	.	H	α-helix	trans	-66.4	-45.9	176.5	-69.4	-15.1	0	0	0	111.6	S394 S395 M396 I400 R401 S402	S394-N398 VanDerWaalsContact O-CG 3.27Å; S394-N398 PolarHBondContact O-N 3.36Å; S394-N398 PolarHBondContact O-ND2 2.82Å; S395-N398 PolarHBondContact O-N 3Å; M396-N398 VanDerWaalsContact C-N 3.26Å; M396-N398 PolarHBondContact O-N 3.2Å; N398-I400 PolarHBondContact O-N 3.38Å; N398-R401 PolarHBondContact O-N 2.58Å; N398-R401 PolarHBondContact OD1-NH1 2.88Å; N398-S402 WeakPolarHBondContact O-CB 3.46Å; N398-S402 PolarHBondContact O-N 3.19Å; N398-S402 PolarHBondContact O-OG 2.9Å
399	L	96.1	Very high	94.4	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-55.8	-52.3	175.5	-179.5	71.5	0	0	0	111.2	T342 L386 V390 S395 M396 R401 S402 W403	T342-L399 HydrophobicContact CG2-CD1 4.31Å; T342-L399 HydrophobicContact CG2-CD2 4.35Å; L386-L399 WeakPolarHBondContact O-CD1 3.38Å; V390-L399 HydrophobicContact CG2-CB 4.45Å; V390-L399 HydrophobicContact CG2-CD2 3.45Å; V390-L399 VanDerWaalsContact CG2-CD2 3.45Å; S395-L399 WeakPolarHBondContact O-CB 3.33Å; S395-L399 PolarHBondContact O-N 3.26Å; M396-L399 WeakPolarHBondContact O-CB 3.26Å; M396-L399 PolarHBondContact O-N 2.98Å; L399-R401 PolarHBondContact O-N 3.24Å; L399-S402 PolarHBondContact O-N 3.32Å; L399-W403 VanDerWaalsContact O-CD1 3.32Å; L399-W403 PolarHBondContact O-N 3.29Å
400	I	96	Very high	94.4	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-43.2	-179.1	-60.8	-54.7	0	0	0	111.4	F84 I346 N349 M396 N398 W403 R404	F84-I400 HydrophobicContact CB-CG2 3.64Å; F84-I400 HydrophobicContact CD1-CG2 4.42Å; F84-I400 HydrophobicContact CD2-CB 4.36Å; F84-I400 HydrophobicContact CD2-CG2 3.99Å; F84-I400 HydrophobicContact CG-CG2 3.79Å; I346-I400 HydrophobicContact CB-CD1 4.29Å; I346-I400 HydrophobicContact CG1-CD1 3.81Å; N349-I400 HydrophobicContact CB-CD1 4.09Å; N349-I400 HydrophobicContact CB-CG1 4.17Å; N349-I400 HydrophobicContact CB-CG2 4.49Å; M396-I400 HydrophobicContact CG-CG1 4.41Å; M396-I400 WeakPolarHBondContact O-CG1 3.45Å; M396-I400 PolarHBondContact O-N 3.38Å; N398-I400 PolarHBondContact O-N 3.38Å; I400-W403 PolarHBondContact O-N 2.95Å; I400-R404 VanDerWaalsContact O-CB 3.26Å; I400-R404 WeakPolarHBondContact O-CB 3.2Å; I400-R404 PolarHBondContact O-N 2.93Å
401	R	94.9	Very high	94.3	Very high	99 Å²	99	45.9 Å²	45.9	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-46.7	177.7	-173.6	-177.5	-56.8	100.2	0.3	111.7	H397 N398 L399 R404 H405	H397-R401 VanDerWaalsContact O-CB 3.22Å; H397-R401 WeakPolarHBondContact O-CB 3.44Å; H397-R401 PolarHBondContact O-N 2.84Å; N398-R401 PolarHBondContact O-N 2.58Å; N398-R401 PolarHBondContact OD1-NH1 2.88Å; L399-R401 PolarHBondContact O-N 3.24Å; R401-R404 PolarHBondContact O-N 2.9Å; R401-H405 WeakPolarHBondContact CG-NE2 3.48Å; R401-H405 PolarHBondContact O-CD2 3.09Å; R401-H405 PolarHBondContact O-N 3.48Å
402	S	95.3	Very high	94.4	Very high	48 Å²	48	42.8 Å²	42.8	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-48.6	178.2	-68.3	0	0	0	0	111.6	N398 L399 R404 H405 T406	N398-S402 WeakPolarHBondContact O-CB 3.46Å; N398-S402 PolarHBondContact O-N 3.19Å; N398-S402 PolarHBondContact O-OG 2.9Å; L399-S402 PolarHBondContact O-N 3.32Å; S402-R404 PolarHBondContact O-N 3.49Å; S402-H405 PolarHBondContact O-N 3.44Å; S402-T406 PolarHBondContact O-N 3.45Å; S402-T406 PolarHBondContact O-OG1 3.33Å; S402-T406 VanDerWaalsContact O-OG1 3.08Å
403	W	96.3	Very high	94.4	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-45.2	175.6	-88.3	100.7	0	0	0	112.8	T342 I346 T380 L386 W387 L399 I400 H405 T406 L407 V427	T342-W403 HydrophobicContact CG2-CZ2 4Å; I346-W403 HydrophobicContact CD1-CB 4.13Å; I346-W403 HydrophobicContact CD1-CD2 3.77Å; I346-W403 HydrophobicContact CD1-CE3 4.42Å; I346-W403 HydrophobicContact CD1-CG 3.6Å; I346-W403 HydrophobicContact CG1-CG 4.38Å; T380-W403 HydrophobicContact CG2-CZ3 4.4Å; L386-W403 HydrophobicContact CB-CH2 4.49Å; L386-W403 HydrophobicContact CB-CZ2 3.75Å; L386-W403 HydrophobicContact CD1-CH2 4.33Å; L386-W403 HydrophobicContact CD1-CZ2 4.36Å; L386-W403 HydrophobicContact CD1-CZ3 4.5Å; L386-W403 HydrophobicContact CD2-CD2 4.39Å; L386-W403 HydrophobicContact CD2-CG 4.42Å; L386-W403 PolarHBondContact O-NE1 2.94Å; W387-W403 HydrophobicContact CD2-CZ2 4.14Å; W387-W403 AromaticContact CE2-CZ2 3.84Å; W387-W403 HydrophobicContact CE3-CZ2 4.03Å; W387-W403 AromaticContact CH2-CH2 3.48Å; W387-W403 HydrophobicContact CH2-CH2 3.48Å; W387-W403 VanDerWaalsContact CH2-CH2 3.48Å; W387-W403 AromaticContact CH2-CZ2 3.33Å; W387-W403 HydrophobicContact CH2-CZ2 3.33Å; W387-W403 AromaticContact CZ2-CH2 3.51Å; W387-W403 HydrophobicContact CZ2-CH2 3.51Å; W387-W403 AromaticContact CZ2-CZ2 3.46Å; W387-W403 HydrophobicContact CZ2-CZ2 3.46Å; W387-W403 VanDerWaalsContact CZ2-CZ2 3.46Å; W387-W403 HydrophobicContact CZ3-CH2 4.22Å; W387-W403 AromaticContact CZ3-CZ2 3.63Å; W387-W403 HydrophobicContact CZ3-CZ2 3.63Å; L399-W403 VanDerWaalsContact O-CD1 3.32Å; L399-W403 PolarHBondContact O-N 3.29Å; I400-W403 PolarHBondContact O-N 2.95Å; W403-H405 VanDerWaalsContact C-N 3.34Å; W403-H405 PolarHBondContact O-N 2.61Å; W403-T406 PolarHBondContact O-N 3.17Å; W403-L407 HydrophobicContact CE3-CD1 4.44Å; W403-L407 HydrophobicContact CE3-CD2 4.48Å; W403-L407 HydrophobicContact CE3-CG 4.33Å; W403-L407 WeakPolarHBondContact O-CB 3.32Å; W403-L407 VanDerWaalsContact O-CG 3.26Å; W403-L407 WeakPolarHBondContact O-CG 3.26Å; W403-L407 PolarHBondContact O-N 3.3Å; W403-V427 HydrophobicContact CE3-CG1 4.37Å; W403-V427 HydrophobicContact CE3-CG2 4.07Å; W403-V427 HydrophobicContact CH2-CG1 3.88Å; W403-V427 HydrophobicContact CZ3-CB 4.4Å; W403-V427 HydrophobicContact CZ3-CG1 3.76Å; W403-V427 HydrophobicContact CZ3-CG2 4.19Å
404	R	94.7	Very high	94.3	Very high	86 Å²	86	48.8 Å²	48.8	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-45.6	178.9	-176.6	176.5	167.7	86.8	8.8	111.2	I400 R401 S402 L407 I408 L416	I400-R404 VanDerWaalsContact O-CB 3.26Å; I400-R404 WeakPolarHBondContact O-CB 3.2Å; I400-R404 PolarHBondContact O-N 2.93Å; R401-R404 PolarHBondContact O-N 2.9Å; S402-R404 PolarHBondContact O-N 3.49Å; R404-L407 PolarHBondContact O-N 3.32Å; R404-I408 HydrophobicContact CG-CD1 3.74Å; R404-I408 HydrophobicContact CG-CG1 4.47Å; R404-I408 WeakPolarHBondContact O-CB 3.03Å; R404-I408 VanDerWaalsContact O-CG1 3.24Å; R404-I408 WeakPolarHBondContact O-CG1 3.47Å; R404-I408 PolarHBondContact O-N 2.96Å; R404-L416 HydrophobicContact CG-CD2 3.92Å
405	H	93.8	Very high	94.2	Very high	100 Å²	100	45.3 Å²	45.3	46%	0.463	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-50.1	175.2	-71	-44.9	0	0	0	111.7	R401 S402 W403 L407 I408 D409	R401-H405 WeakPolarHBondContact CG-NE2 3.48Å; R401-H405 PolarHBondContact O-CD2 3.09Å; R401-H405 PolarHBondContact O-N 3.48Å; S402-H405 PolarHBondContact O-N 3.44Å; W403-H405 VanDerWaalsContact C-N 3.34Å; W403-H405 PolarHBondContact O-N 2.61Å; H405-L407 VanDerWaalsContact C-N 3.29Å; H405-L407 PolarHBondContact O-N 2.97Å; H405-I408 PolarHBondContact O-N 2.9Å; H405-D409 WeakPolarHBondContact O-CB 3.25Å; H405-D409 PolarHBondContact O-N 3.18Å
406	T	94.7	Very high	94.1	Very high	40 Å²	40	44.9 Å²	44.9	25%	0.245	23%	0.228	C	C	.	.	H	α-helix	trans	-56.5	-41.3	178.3	-60.6	0	0	0	0	112.8	F375 T380 L386 S402 W403 G410	F375-T406 HydrophobicContact CE2-CG2 4.42Å; F375-T406 HydrophobicContact CZ-CG2 4.47Å; T380-T406 HydrophobicContact CG2-CG2 3.9Å; L386-T406 HydrophobicContact CD1-CG2 4.08Å; S402-T406 PolarHBondContact O-N 3.45Å; S402-T406 PolarHBondContact O-OG1 3.33Å; S402-T406 VanDerWaalsContact O-OG1 3.08Å; W403-T406 PolarHBondContact O-N 3.17Å; T406-G410 PolarHBondContact O-N 3Å
407	L	95.3	Very high	93.8	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-73.8	-37	179.9	-65.3	175.1	0	0	0	112.6	W403 R404 H405 G410 G411 C412 L416 A426 V427	W403-L407 HydrophobicContact CE3-CD1 4.44Å; W403-L407 HydrophobicContact CE3-CD2 4.48Å; W403-L407 HydrophobicContact CE3-CG 4.33Å; W403-L407 WeakPolarHBondContact O-CB 3.32Å; W403-L407 VanDerWaalsContact O-CG 3.26Å; W403-L407 WeakPolarHBondContact O-CG 3.26Å; W403-L407 PolarHBondContact O-N 3.3Å; R404-L407 PolarHBondContact O-N 3.32Å; H405-L407 VanDerWaalsContact C-N 3.29Å; H405-L407 PolarHBondContact O-N 2.97Å; L407-G410 CarbonylContact O-C 3.48Å; L407-G410 PolarHBondContact O-N 3.45Å; L407-G411 PolarHBondContact O-N 3.35Å; L407-C412 HydrophobicContact CB-CB 4.31Å; L407-C412 WeakPolarHBondContact O-CA 3.34Å; L407-C412 VanDerWaalsContact O-CB 3.26Å; L407-C412 WeakPolarHBondContact O-CB 3.3Å; L407-C412 PolarHBondContact O-N 3.46Å; L407-L416 HydrophobicContact CB-CD1 3.89Å; L407-L416 HydrophobicContact CB-CD2 4.37Å; L407-L416 HydrophobicContact CD1-CD1 3.89Å; L407-A426 HydrophobicContact CD1-CB 4.25Å; L407-A426 HydrophobicContact CD2-CB 4.1Å; L407-V427 HydrophobicContact CD1-CG2 3.78Å
408	I	94.2	Very high	93.5	Very high	47 Å²	47	50.3 Å²	50.3	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-47.9	175.9	-70	170.4	0	0	0	110.2	R404 H405 G410 G411 E413 L416	R404-I408 HydrophobicContact CG-CD1 3.74Å; R404-I408 HydrophobicContact CG-CG1 4.47Å; R404-I408 WeakPolarHBondContact O-CB 3.03Å; R404-I408 VanDerWaalsContact O-CG1 3.24Å; R404-I408 WeakPolarHBondContact O-CG1 3.47Å; R404-I408 PolarHBondContact O-N 2.96Å; H405-I408 PolarHBondContact O-N 2.9Å; I408-G410 PolarHBondContact O-N 2.87Å; I408-G411 PolarHBondContact O-N 2.83Å; I408-E413 HydrophobicContact CG1-CB 4.34Å; I408-E413 HydrophobicContact CG1-CG 4.44Å; I408-L416 HydrophobicContact CD1-CD2 4.32Å; I408-L416 HydrophobicContact CG1-CD2 3.89Å
409	D	93.2	Very high	93.3	Very high	133 Å²	133	46.1 Å²	46.1	71%	0.711	23%	0.233	S	C	*	.	H	α-helix	trans	-60.2	-31.9	176.4	-66.2	-13.9	0	0	0	111	H405 G411	H405-D409 WeakPolarHBondContact O-CB 3.25Å; H405-D409 PolarHBondContact O-N 3.18Å; D409-G411 PolarHBondContact O-N 2.67Å
410	G	93.2	Very high	93.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	6.6	173.1	0	0	0	0	0	116	F375 R376 T406 L407 I408	F375-G410 WeakPolarHBondContact CA-O 3.44Å; R376-G410 PolarHBondContact N-O 3.31Å; R376-G410 VanDerWaalsContact O-CA 3.27Å; R376-G410 WeakPolarHBondContact O-CA 3.47Å; T406-G410 PolarHBondContact O-N 3Å; L407-G410 CarbonylContact O-C 3.48Å; L407-G410 PolarHBondContact O-N 3.45Å; I408-G410 PolarHBondContact O-N 2.87Å
411	G	93.1	Very high	93.1	Very high	37 Å²	37	46.6 Å²	46.6	38%	0.381	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	8.5	176.7	0	0	0	0	0	115.3	L407 I408 D409 E413	L407-G411 PolarHBondContact O-N 3.35Å; I408-G411 PolarHBondContact O-N 2.83Å; D409-G411 PolarHBondContact O-N 2.67Å; G411-E413 PolarHBondContact O-N 2.98Å
412	C	94	Very high	93	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	22%	0.22	C	C	.	.			trans	-91	13.6	-174.9	-57	0	0	0	0	114.5	C374 L407 K414 L415 L416 A426	C374-C412 HydrophobicContact CB-CB 3.94Å; C374-C412 WeakPolarHBondContact CB-SG 3.3Å; C374-C412 VanDerWaalsContact SG-CA 3.59Å; C374-C412 WeakPolarHBondContact SG-CB 3.48Å; C374-C412 CovalentContact SG-SG 2.04Å; C374-C412 PolarHBondContact SG-SG 3.33Å; L407-C412 HydrophobicContact CB-CB 4.31Å; L407-C412 WeakPolarHBondContact O-CA 3.34Å; L407-C412 VanDerWaalsContact O-CB 3.26Å; L407-C412 WeakPolarHBondContact O-CB 3.3Å; L407-C412 PolarHBondContact O-N 3.46Å; C412-K414 VanDerWaalsContact C-N 3.28Å; C412-K414 PolarHBondContact O-N 3.17Å; C412-L415 WeakPolarHBondContact O-CB 3.35Å; C412-L415 PolarHBondContact O-N 3.15Å; C412-L416 HydrophobicContact CB-CD1 4.43Å; C412-L416 WeakPolarHBondContact O-CD1 3.25Å; C412-L416 PolarHBondContact O-N 2.72Å; C412-L416 VanDerWaalsContact O-N 3.16Å; C412-A426 HydrophobicContact CB-CB 3.79Å
413	E	92.9	Very high	93	Very high	92 Å²	92	40.4 Å²	40.4	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-53.4	-42.2	-175.5	-175	178.8	-175.3	0	0	113.3	I408 G411 L415 L416 Q417	I408-E413 HydrophobicContact CG1-CB 4.34Å; I408-E413 HydrophobicContact CG1-CG 4.44Å; G411-E413 PolarHBondContact O-N 2.98Å; E413-L415 VanDerWaalsContact C-N 3.32Å; E413-L415 PolarHBondContact O-N 3.06Å; E413-L416 WeakPolarHBondContact O-CB 3.34Å; E413-L416 PolarHBondContact O-N 3.38Å; E413-L416 VanDerWaalsContact O-N 3.1Å; E413-Q417 WeakPolarHBondContact O-CG 3.44Å; E413-Q417 PolarHBondContact O-N 2.99Å
414	K	91.2	Very high	93	Very high	92 Å²	92	40.6 Å²	40.6	40%	0.4	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-32.5	179.6	-65.7	171.8	170.3	-175.2	0	112.9	D370 Y371 C412 Q417 S418	D370-K414 HydrophobicContact CB-CD 3.89Å; D370-K414 VanDerWaalsContact CB-NZ 3.31Å; D370-K414 WeakPolarHBondContact O-CD 3.41Å; D370-K414 WeakPolarHBondContact O-CE 3.29Å; D370-K414 PolarHBondContact O-NZ 3.46Å; D370-K414 IonicContact OD1-NZ 2.9Å; D370-K414 PolarHBondContact OD1-NZ 3.25Å; D370-K414 VanDerWaalsContact OD1-NZ 3.07Å; Y371-K414 HydrophobicContact CD1-CB 3.79Å; Y371-K414 HydrophobicContact CE1-CB 4.11Å; C412-K414 VanDerWaalsContact C-N 3.28Å; C412-K414 PolarHBondContact O-N 3.17Å; K414-Q417 PolarHBondContact O-N 3.23Å; K414-S418 PolarHBondContact O-N 2.95Å; K414-S418 PolarHBondContact O-OG 3.37Å
415	L	91	Very high	93	Very high	5 Å²	5	37 Å²	37	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-68	-37.2	171.9	-74.8	-177.9	0	0	0	111.3	Y371 C374 C412 E413 Q417 S418 G422 A426	Y371-L415 HydrophobicContact CD1-CD2 4.18Å; Y371-L415 HydrophobicContact CD2-CD2 3.47Å; Y371-L415 VanDerWaalsContact CD2-CD2 3.47Å; Y371-L415 HydrophobicContact CE2-CD2 3.96Å; Y371-L415 HydrophobicContact CG-CD2 3.63Å; Y371-L415 HydrophobicContact CG-CG 4.31Å; C374-L415 VanDerWaalsContact SG-CD1 3.52Å; C412-L415 WeakPolarHBondContact O-CB 3.35Å; C412-L415 PolarHBondContact O-N 3.15Å; E413-L415 VanDerWaalsContact C-N 3.32Å; E413-L415 PolarHBondContact O-N 3.06Å; L415-Q417 VanDerWaalsContact C-N 3.32Å; L415-Q417 PolarHBondContact O-N 2.72Å; L415-S418 WeakPolarHBondContact O-CB 3.44Å; L415-S418 PolarHBondContact O-N 3.48Å; L415-S418 VanDerWaalsContact O-N 3.08Å; L415-G422 CarbonylContact O-C 3.55Å; L415-G422 WeakPolarHBondContact O-CA 3.38Å; L415-A426 HydrophobicContact CB-CB 4.16Å; L415-A426 HydrophobicContact CD1-CB 3.91Å
416	L	92.1	Very high	93.1	Very high	19 Å²	19	32.3 Å²	32.3	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-40.8	174.5	-88.1	57.4	0	0	0	111.9	R404 L407 I408 C412 E413 S418 G419 V423 A426	R404-L416 HydrophobicContact CG-CD2 3.92Å; L407-L416 HydrophobicContact CB-CD1 3.89Å; L407-L416 HydrophobicContact CB-CD2 4.37Å; L407-L416 HydrophobicContact CD1-CD1 3.89Å; I408-L416 HydrophobicContact CD1-CD2 4.32Å; I408-L416 HydrophobicContact CG1-CD2 3.89Å; C412-L416 HydrophobicContact CB-CD1 4.43Å; C412-L416 WeakPolarHBondContact O-CD1 3.25Å; C412-L416 PolarHBondContact O-N 2.72Å; C412-L416 VanDerWaalsContact O-N 3.16Å; E413-L416 WeakPolarHBondContact O-CB 3.34Å; E413-L416 PolarHBondContact O-N 3.38Å; E413-L416 VanDerWaalsContact O-N 3.1Å; L416-S418 PolarHBondContact O-N 2.92Å; L416-G419 PolarHBondContact O-N 3.48Å; L416-V423 HydrophobicContact CB-CG2 4.22Å; L416-V423 HydrophobicContact CD1-CG2 4.17Å; L416-V423 HydrophobicContact CG-CG2 3.89Å; L416-A426 HydrophobicContact CD1-CB 4.15Å
417	Q	88.8	Confident	93.2	Very high	125 Å²	125	30.4 Å²	30.4	58%	0.584	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.2	175.8	-66.9	171.9	0.4	0	0	113.1	L353 E413 K414 L415 G419	L353-Q417 WeakPolarHBondContact CD1-O 3.42Å; E413-Q417 WeakPolarHBondContact O-CG 3.44Å; E413-Q417 PolarHBondContact O-N 2.99Å; K414-Q417 PolarHBondContact O-N 3.23Å; L415-Q417 VanDerWaalsContact C-N 3.32Å; L415-Q417 PolarHBondContact O-N 2.72Å; Q417-G419 VanDerWaalsContact C-N 3.3Å
418	S	87.9	Confident	93.2	Very high	18 Å²	18	30.3 Å²	30.3	13%	0.126	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.1	-178.9	-54	0	0	0	0	113.3	Y371 K414 L415 L416	Y371-S418 WeakPolarHBondContact CE1-OG 3.2Å; Y371-S418 WeakPolarHBondContact OH-CB 3.47Å; Y371-S418 PolarHBondContact OH-OG 3.29Å; K414-S418 PolarHBondContact O-N 2.95Å; K414-S418 PolarHBondContact O-OG 3.37Å; L415-S418 WeakPolarHBondContact O-CB 3.44Å; L415-S418 PolarHBondContact O-N 3.48Å; L415-S418 VanDerWaalsContact O-N 3.08Å; L416-S418 PolarHBondContact O-N 2.92Å
419	G	91.5	Very high	93.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.			trans	81.7	-164.5	179.1	0	0	0	0	0	112.9	P351 L416 Q417 Y421 G422 V423	P351-G419 CarbonylContact O-C 3.54Å; P351-G419 VanDerWaalsContact O-CA 3.27Å; P351-G419 WeakPolarHBondContact O-CA 3.45Å; L416-G419 PolarHBondContact O-N 3.48Å; Q417-G419 VanDerWaalsContact C-N 3.3Å; G419-Y421 PolarHBondContact O-N 2.74Å; G419-G422 PolarHBondContact O-N 3.31Å; G419-G422 VanDerWaalsContact O-N 3.13Å; G419-V423 PolarHBondContact O-N 2.74Å
420	V	94.7	Very high	93.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-39.9	-165.7	67.3	0	0	0	0	114.9	R141 L318 A347 T350 P351 D352 G422 V423 H424	R141-V420 VanDerWaalsContact NH2-CG1 3.29Å; L318-V420 HydrophobicContact CD1-CG1 4.45Å; L318-V420 HydrophobicContact CD1-CG2 3.88Å; L318-V420 HydrophobicContact CD2-CG2 3.69Å; L318-V420 HydrophobicContact CG-CG2 4.46Å; A347-V420 HydrophobicContact CB-CG2 3.9Å; T350-V420 HydrophobicContact CG2-CB 4.13Å; P351-V420 PolarHBondContact O-N 3.5Å; D352-V420 HydrophobicContact CB-CG1 4.37Å; V420-G422 VanDerWaalsContact C-N 3.3Å; V420-G422 PolarHBondContact O-N 2.86Å; V420-V423 PolarHBondContact O-N 2.74Å; V420-H424 VanDerWaalsContact O-CB 3.24Å; V420-H424 WeakPolarHBondContact O-CB 3.13Å; V420-H424 PolarHBondContact O-N 3.34Å
421	Y	92.5	Very high	93.5	Very high	30 Å²	30	21.7 Å²	21.7	12%	0.118	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-37.4	-178.8	-58.6	-78.4	0	0	0	111.3	L317 L318 D352 L354 G419 Q425 F525	L317-Y421 HydrophobicContact CD2-CE1 4.12Å; L317-Y421 HydrophobicContact CG-CE1 3.95Å; L318-Y421 HydrophobicContact CB-CE1 4.41Å; L318-Y421 HydrophobicContact CD1-CD1 3.92Å; L318-Y421 HydrophobicContact CD1-CE1 4.23Å; D352-Y421 WeakPolarHBondContact OD1-CE2 3.41Å; D352-Y421 WeakPolarHBondContact OD2-CE2 3.36Å; D352-Y421 PolarHBondContact OD2-OH 2.72Å; L354-Y421 HydrophobicContact CD1-CD2 3.59Å; L354-Y421 HydrophobicContact CD1-CE2 3.24Å; L354-Y421 HydrophobicContact CG-CD2 3.96Å; L354-Y421 HydrophobicContact CG-CE2 3.96Å; G419-Y421 PolarHBondContact O-N 2.74Å; Y421-Q425 VanDerWaalsContact O-CG 3.32Å; Y421-Q425 WeakPolarHBondContact O-CG 3.44Å; Y421-Q425 PolarHBondContact O-N 2.87Å; Y421-Q425 VanDerWaalsContact O-N 3.08Å; Y421-F525 HydrophobicContact CD1-CE2 4.15Å; Y421-F525 AromaticContact CD1-CZ 3.97Å; Y421-F525 HydrophobicContact CD1-CZ 3.97Å; Y421-F525 HydrophobicContact CD2-CE2 4.15Å; Y421-F525 AromaticContact CD2-CZ 3.84Å; Y421-F525 HydrophobicContact CD2-CZ 3.84Å; Y421-F525 HydrophobicContact CE1-CE2 4.01Å; Y421-F525 HydrophobicContact CE1-CZ 4.3Å; Y421-F525 HydrophobicContact CE2-CE2 4.02Å; Y421-F525 HydrophobicContact CE2-CZ 4.18Å; Y421-F525 HydrophobicContact CG-CE2 4.22Å; Y421-F525 AromaticContact CG-CZ 3.72Å; Y421-F525 HydrophobicContact CG-CZ 3.72Å; Y421-F525 AromaticContact CZ-CE2 3.93Å
422	G	92.8	Very high	93.5	Very high	8 Å²	8	19.9 Å²	19.9	8%	0.082	10%	0.096	C	C	.	.	H	α-helix	trans	-67.1	-47.8	173.9	0	0	0	0	0	111.8	L415 G419 V420 H424 Q425 A426	L415-G422 CarbonylContact O-C 3.55Å; L415-G422 WeakPolarHBondContact O-CA 3.38Å; G419-G422 PolarHBondContact O-N 3.31Å; G419-G422 VanDerWaalsContact O-N 3.13Å; V420-G422 VanDerWaalsContact C-N 3.3Å; V420-G422 PolarHBondContact O-N 2.86Å; G422-H424 VanDerWaalsContact C-N 3.33Å; G422-H424 PolarHBondContact O-N 3.42Å; G422-Q425 PolarHBondContact O-N 3.42Å; G422-A426 WeakPolarHBondContact O-CB 3.27Å; G422-A426 PolarHBondContact O-N 3.24Å
423	V	95.3	Very high	93.6	Very high	8 Å²	8	20.2 Å²	20.2	5%	0.048	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-45.1	175.7	174.5	0	0	0	0	111.8	I346 T350 L416 G419 V420 Q425 A426 V427	I346-V423 HydrophobicContact CG2-CG1 3.34Å; T350-V423 HydrophobicContact CG2-CB 4.17Å; T350-V423 HydrophobicContact CG2-CG2 3.62Å; L416-V423 HydrophobicContact CB-CG2 4.22Å; L416-V423 HydrophobicContact CD1-CG2 4.17Å; L416-V423 HydrophobicContact CG-CG2 3.89Å; G419-V423 PolarHBondContact O-N 2.74Å; V420-V423 PolarHBondContact O-N 2.74Å; V423-Q425 PolarHBondContact O-N 3.42Å; V423-A426 WeakPolarHBondContact O-CB 3.38Å; V423-A426 PolarHBondContact O-N 3Å; V423-V427 WeakPolarHBondContact O-CG2 3.45Å; V423-V427 PolarHBondContact O-N 3.29Å
424	H	96	Very high	93.7	Very high	7 Å²	7	15.8 Å²	15.8	3%	0.032	8%	0.078	C	C	.	.	H	α-helix	trans	-62.2	-44.1	179.8	-167.6	68.7	0	0	0	111.6	L318 S321 V420 G422 V427 L428	L318-H424 HydrophobicContact CD1-CB 3.7Å; L318-H424 PolarHBondContact O-NE2 3.48Å; S321-H424 PolarHBondContact O-NE2 3.43Å; V420-H424 VanDerWaalsContact O-CB 3.24Å; V420-H424 WeakPolarHBondContact O-CB 3.13Å; V420-H424 PolarHBondContact O-N 3.34Å; G422-H424 VanDerWaalsContact C-N 3.33Å; G422-H424 PolarHBondContact O-N 3.42Å; H424-V427 PolarHBondContact O-N 2.96Å; H424-L428 WeakPolarHBondContact O-CG 3.42Å; H424-L428 PolarHBondContact O-N 3.2Å
425	Q	95.1	Very high	93.8	Very high	12 Å²	12	13.5 Å²	13.5	6%	0.056	7%	0.066	C	C	.	.	H	α-helix	trans	-64.5	-39.7	173.2	-71.3	-66.6	-31.8	0	0	112.2	S321 Y421 G422 V423 V427 L428 R429 R458 H460	S321-Q425 VanDerWaalsContact CB-NE2 3.34Å; S321-Q425 PolarHBondContact OG-NE2 2.66Å; Y421-Q425 VanDerWaalsContact O-CG 3.32Å; Y421-Q425 WeakPolarHBondContact O-CG 3.44Å; Y421-Q425 PolarHBondContact O-N 2.87Å; Y421-Q425 VanDerWaalsContact O-N 3.08Å; G422-Q425 PolarHBondContact O-N 3.42Å; V423-Q425 PolarHBondContact O-N 3.42Å; Q425-V427 VanDerWaalsContact C-N 3.34Å; Q425-V427 PolarHBondContact O-N 3.36Å; Q425-L428 PolarHBondContact O-N 2.9Å; Q425-R429 WeakPolarHBondContact O-CB 3.17Å; Q425-R429 VanDerWaalsContact O-CG 3.25Å; Q425-R429 WeakPolarHBondContact O-CG 3.3Å; Q425-R429 PolarHBondContact O-N 3.26Å; Q425-R458 PolarHBondContact NE2-O 3.4Å; Q425-H460 HydrophobicContact CG-CB 4.15Å
426	A	95.6	Very high	93.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.6	-43.3	176.3	0	0	0	0	0	111.8	L407 C412 L415 L416 G422 V423 R429 S430	L407-A426 HydrophobicContact CD1-CB 4.25Å; L407-A426 HydrophobicContact CD2-CB 4.1Å; C412-A426 HydrophobicContact CB-CB 3.79Å; L415-A426 HydrophobicContact CB-CB 4.16Å; L415-A426 HydrophobicContact CD1-CB 3.91Å; L416-A426 HydrophobicContact CD1-CB 4.15Å; G422-A426 WeakPolarHBondContact O-CB 3.27Å; G422-A426 PolarHBondContact O-N 3.24Å; V423-A426 WeakPolarHBondContact O-CB 3.38Å; V423-A426 PolarHBondContact O-N 3Å; A426-R429 PolarHBondContact O-N 3.2Å; A426-S430 PolarHBondContact O-N 3.45Å
427	V	96.6	Very high	93.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.9	-49.1	175	176.3	0	0	0	0	110.6	L343 I346 W403 L407 V423 H424 Q425 R429 S430 I431	L343-V427 HydrophobicContact CD2-CB 4.06Å; L343-V427 HydrophobicContact CD2-CG1 3.47Å; L343-V427 VanDerWaalsContact CD2-CG1 3.47Å; I346-V427 HydrophobicContact CD1-CG2 4.04Å; W403-V427 HydrophobicContact CE3-CG1 4.37Å; W403-V427 HydrophobicContact CE3-CG2 4.07Å; W403-V427 HydrophobicContact CH2-CG1 3.88Å; W403-V427 HydrophobicContact CZ3-CB 4.4Å; W403-V427 HydrophobicContact CZ3-CG1 3.76Å; W403-V427 HydrophobicContact CZ3-CG2 4.19Å; L407-V427 HydrophobicContact CD1-CG2 3.78Å; V423-V427 WeakPolarHBondContact O-CG2 3.45Å; V423-V427 PolarHBondContact O-N 3.29Å; H424-V427 PolarHBondContact O-N 2.96Å; Q425-V427 VanDerWaalsContact C-N 3.34Å; Q425-V427 PolarHBondContact O-N 3.36Å; V427-R429 VanDerWaalsContact C-N 3.3Å; V427-R429 PolarHBondContact O-N 3.36Å; V427-S430 WeakPolarHBondContact O-CB 3.35Å; V427-S430 PolarHBondContact O-N 2.95Å; V427-S430 PolarHBondContact O-OG 3.16Å; V427-I431 HydrophobicContact CG1-CD1 3.91Å; V427-I431 HydrophobicContact CG1-CG1 4.33Å; V427-I431 WeakPolarHBondContact O-CG1 3.45Å; V427-I431 PolarHBondContact O-N 3.31Å
428	L	96.5	Very high	93.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60	-40.3	178.6	-67.2	173.5	0	0	0	112.4	I323 H424 Q425 S430 I431 G432 I459	I323-L428 HydrophobicContact CB-CD2 4.3Å; I323-L428 HydrophobicContact CG2-CD2 4.41Å; H424-L428 WeakPolarHBondContact O-CG 3.42Å; H424-L428 PolarHBondContact O-N 3.2Å; Q425-L428 PolarHBondContact O-N 2.9Å; L428-S430 VanDerWaalsContact C-N 3.33Å; L428-S430 PolarHBondContact O-N 3.07Å; L428-I431 PolarHBondContact O-N 3.2Å; L428-G432 PolarHBondContact O-N 3.27Å; L428-G432 VanDerWaalsContact O-N 3.15Å; L428-I459 HydrophobicContact CB-CD1 3.77Å; L428-I459 HydrophobicContact CD1-CD1 4.17Å; L428-I459 HydrophobicContact CG-CD1 4.5Å
429	R	94.7	Very high	93.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-43.8	173.1	-73.7	178.5	-174.7	-175.1	5	111.6	Y368 C374 F375 Q425 A426 V427 I431 G432 S433 F434 H460	Y368-R429 PolarHBondContact OH-NH2 3.14Å; C374-R429 PolarHBondContact O-NH1 3.41Å; F375-R429 HydrophobicContact CB-CB 4.1Å; Q425-R429 WeakPolarHBondContact O-CB 3.17Å; Q425-R429 VanDerWaalsContact O-CG 3.25Å; Q425-R429 WeakPolarHBondContact O-CG 3.3Å; Q425-R429 PolarHBondContact O-N 3.26Å; A426-R429 PolarHBondContact O-N 3.2Å; V427-R429 VanDerWaalsContact C-N 3.3Å; V427-R429 PolarHBondContact O-N 3.36Å; R429-I431 PolarHBondContact O-N 2.98Å; R429-G432 PolarHBondContact O-N 3.35Å; R429-S433 CarbonylContact O-C 3.57Å; R429-S433 WeakPolarHBondContact O-CA 3.38Å; R429-S433 PolarHBondContact O-N 3.01Å; R429-F434 HydrophobicContact CB-CB 4.19Å; R429-F434 HydrophobicContact CG-CB 4.06Å; R429-F434 PolarHBondContact O-N 3.25Å; R429-H460 PolarHBondContact NH2-O 3.49Å
430	S	95.7	Very high	93.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.5	-35.9	177.7	82.3	0	0	0	0	113.8	Y379 T380 A426 V427 L428	Y379-S430 WeakPolarHBondContact CA-O 3.38Å; T380-S430 PolarHBondContact N-O 2.74Å; T380-S430 VanDerWaalsContact N-O 3.09Å; T380-S430 PolarHBondContact OG1-O 2.85Å; T380-S430 PolarHBondContact OG1-OG 3.09Å; T380-S430 VanDerWaalsContact OG1-OG 3.07Å; A426-S430 PolarHBondContact O-N 3.45Å; V427-S430 WeakPolarHBondContact O-CB 3.35Å; V427-S430 PolarHBondContact O-N 2.95Å; V427-S430 PolarHBondContact O-OG 3.16Å; L428-S430 VanDerWaalsContact C-N 3.33Å; L428-S430 PolarHBondContact O-N 3.07Å
431	I	95.6	Very high	93.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-70.5	-41.9	-179.4	-62	164.7	0	0	0	110.5	I323 T380 L381 W387 V427 L428 R429 F456	I323-I431 HydrophobicContact CD1-CG2 3.57Å; T380-I431 WeakPolarHBondContact OG1-CA 2.89Å; T380-I431 PolarHBondContact OG1-N 2.81Å; L381-I431 HydrophobicContact CB-CG2 4.34Å; L381-I431 HydrophobicContact CD1-CG2 4.32Å; W387-I431 HydrophobicContact CH2-CD1 3.73Å; W387-I431 HydrophobicContact CH2-CG1 3.89Å; W387-I431 HydrophobicContact CZ2-CD1 4.38Å; W387-I431 HydrophobicContact CZ2-CG1 4.05Å; V427-I431 HydrophobicContact CG1-CD1 3.91Å; V427-I431 HydrophobicContact CG1-CG1 4.33Å; V427-I431 WeakPolarHBondContact O-CG1 3.45Å; V427-I431 PolarHBondContact O-N 3.31Å; L428-I431 PolarHBondContact O-N 3.2Å; R429-I431 PolarHBondContact O-N 2.98Å; I431-F456 HydrophobicContact CB-CE1 4.22Å; I431-F456 HydrophobicContact CG2-CE1 3.91Å; I431-F456 HydrophobicContact CG2-CZ 4.36Å
432	G	94	Very high	93.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-86.9	-3.1	179.2	0	0	0	0	0	114.7	L428 R429 F434 F443 F456	L428-G432 PolarHBondContact O-N 3.27Å; L428-G432 VanDerWaalsContact O-N 3.15Å; R429-G432 PolarHBondContact O-N 3.35Å; G432-F434 PolarHBondContact O-N 2.93Å; G432-F443 VanDerWaalsContact O-CD2 3.24Å; G432-F443 WeakPolarHBondContact O-CD2 3.33Å; G432-F443 WeakPolarHBondContact O-CE2 3.43Å; G432-F456 VanDerWaalsContact CA-CZ 3.45Å
433	S	94.3	Very high	93.8	Very high	7 Å²	7	12.9 Å²	12.9	5%	0.049	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.4	-169.1	-158.1	0	0	0	0	112.1	G377 R429 Y435 D444	G377-S433 PolarHBondContact O-OG 3.41Å; R429-S433 CarbonylContact O-C 3.57Å; R429-S433 WeakPolarHBondContact O-CA 3.38Å; R429-S433 PolarHBondContact O-N 3.01Å; S433-Y435 PolarHBondContact O-N 3.06Å; S433-D444 WeakPolarHBondContact O-CB 3.44Å; S433-D444 PolarHBondContact O-N 3.19Å; S433-D444 PolarHBondContact OG-O 3.29Å
434	F	95.2	Very high	93.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	109.2	174.6	-64.4	-75.1	0	0	0	109.1	F375 R429 G432 I441 S442 F443 F456 I459 F470	F375-F434 PolarHBondContact N-O 2.95Å; R429-F434 HydrophobicContact CB-CB 4.19Å; R429-F434 HydrophobicContact CG-CB 4.06Å; R429-F434 PolarHBondContact O-N 3.25Å; G432-F434 PolarHBondContact O-N 2.93Å; F434-I441 HydrophobicContact CB-CD1 4.16Å; F434-I441 HydrophobicContact CD1-CD1 4.03Å; F434-I441 HydrophobicContact CG-CD1 4.43Å; F434-S442 WeakPolarHBondContact CA-O 3.34Å; F434-F443 HydrophobicContact CD1-CB 4.24Å; F434-F443 AromaticContact CD1-CD2 3.62Å; F434-F443 HydrophobicContact CD1-CD2 3.62Å; F434-F443 HydrophobicContact CD1-CE2 4.36Å; F434-F443 HydrophobicContact CD1-CG 4.26Å; F434-F443 HydrophobicContact CE1-CB 4.17Å; F434-F443 AromaticContact CE1-CD2 3.23Å; F434-F443 HydrophobicContact CE1-CD2 3.23Å; F434-F443 AromaticContact CE1-CE2 3.67Å; F434-F443 HydrophobicContact CE1-CE2 3.67Å; F434-F443 AromaticContact CE1-CG 3.82Å; F434-F443 HydrophobicContact CE1-CG 3.82Å; F434-F443 HydrophobicContact CE2-CD2 4.47Å; F434-F443 HydrophobicContact CE2-CE2 4.29Å; F434-F443 HydrophobicContact CG-CD2 4.38Å; F434-F443 AromaticContact CZ-CD2 3.72Å; F434-F443 HydrophobicContact CZ-CD2 3.72Å; F434-F443 AromaticContact CZ-CE2 3.63Å; F434-F443 HydrophobicContact CZ-CE2 3.63Å; F434-F443 HydrophobicContact CZ-CZ 4.45Å; F434-F456 HydrophobicContact CE2-CB 4.17Å; F434-F456 AromaticContact CE2-CD1 3.74Å; F434-F456 HydrophobicContact CE2-CD1 3.74Å; F434-F456 HydrophobicContact CE2-CD2 4.05Å; F434-F456 HydrophobicContact CE2-CE1 4.06Å; F434-F456 HydrophobicContact CE2-CE2 4.36Å; F434-F456 AromaticContact CE2-CG 3.72Å; F434-F456 HydrophobicContact CE2-CG 3.72Å; F434-F456 HydrophobicContact CE2-CZ 4.37Å; F434-F456 HydrophobicContact CZ-CB 4.1Å; F434-F456 HydrophobicContact CZ-CD1 4.33Å; F434-F456 AromaticContact CZ-CD2 3.83Å; F434-F456 HydrophobicContact CZ-CD2 3.83Å; F434-F456 HydrophobicContact CZ-CE2 4.31Å; F434-F456 AromaticContact CZ-CG 3.83Å; F434-F456 HydrophobicContact CZ-CG 3.83Å; F434-I459 HydrophobicContact CD2-CG1 4.48Å; F434-I459 HydrophobicContact CD2-CG2 4.29Å; F434-I459 HydrophobicContact CE2-CD1 4.19Å; F434-I459 HydrophobicContact CE2-CG1 3.97Å; F434-I459 HydrophobicContact CG-CG2 4.27Å; F434-I459 HydrophobicContact CZ-CG1 4.14Å; F434-F470 HydrophobicContact CD1-CZ 4.44Å; F434-F470 HydrophobicContact CE1-CB 4.21Å; F434-F470 AromaticContact CE1-CD1 3.68Å; F434-F470 HydrophobicContact CE1-CD1 3.68Å; F434-F470 AromaticContact CE1-CD2 3.73Å; F434-F470 HydrophobicContact CE1-CD2 3.73Å; F434-F470 AromaticContact CE1-CE1 3.84Å; F434-F470 HydrophobicContact CE1-CE1 3.84Å; F434-F470 AromaticContact CE1-CE2 3.93Å; F434-F470 HydrophobicContact CE1-CE2 3.93Å; F434-F470 AromaticContact CE1-CG 3.61Å; F434-F470 HydrophobicContact CE1-CG 3.61Å; F434-F470 AromaticContact CE1-CZ 3.98Å; F434-F470 HydrophobicContact CE1-CZ 3.98Å; F434-F470 HydrophobicContact CZ-CB 3.94Å; F434-F470 HydrophobicContact CZ-CD1 4.28Å; F434-F470 AromaticContact CZ-CD2 3.86Å; F434-F470 HydrophobicContact CZ-CD2 3.86Å; F434-F470 HydrophobicContact CZ-CE2 4.44Å; F434-F470 AromaticContact CZ-CG 3.78Å; F434-F470 HydrophobicContact CZ-CG 3.78Å
435	Y	94	Very high	93.7	Very high	43 Å²	43	14.8 Å²	14.8	17%	0.169	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114.7	174.5	174.9	-106.7	0	0	0	109.5	Q373 F375 R376 S433 N437 I441 S442 D444	Q373-Y435 HydrophobicContact CB-CE2 4.33Å; F375-Y435 WeakPolarHBondContact O-CD2 3.29Å; R376-Y435 HydrophobicContact CG-CD2 3.72Å; R376-Y435 HydrophobicContact CG-CE2 3.39Å; R376-Y435 PolarHBondContact NE-OH 3.01Å; R376-Y435 PolarHBondContact NH2-OH 3.02Å; S433-Y435 PolarHBondContact O-N 3.06Å; Y435-N437 HydrophobicContact CE1-CB 4.13Å; Y435-I441 CarbonylContact O-C 3.57Å; Y435-I441 WeakPolarHBondContact O-CA 3.43Å; Y435-S442 WeakPolarHBondContact CB-OG 3.39Å; Y435-S442 PolarHBondContact N-O 3.39Å; Y435-S442 PolarHBondContact O-N 3.13Å; Y435-S442 PolarHBondContact O-OG 3.3Å; Y435-D444 VanDerWaalsContact CB-OD2 3.31Å; Y435-D444 WeakPolarHBondContact CB-OD2 3.33Å
436	V	91.8	Very high	93.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.5	177.4	-178.4	0	0	0	0	109.1	Q373 C374 I441 N462	Q373-V436 WeakPolarHBondContact CA-O 3.24Å; Q373-V436 PolarHBondContact N-O 3.22Å; C374-V436 WeakPolarHBondContact O-CB 3.4Å; C374-V436 PolarHBondContact O-N 3.35Å; V436-I441 HydrophobicContact CG2-CB 4.32Å; V436-I441 HydrophobicContact CG2-CD1 3.96Å; V436-I441 HydrophobicContact CG2-CG1 4.03Å; V436-N462 HydrophobicContact CG1-CB 3.96Å
437	N	89	Confident	93.3	Very high	33 Å²	33	17.5 Å²	17.5	18%	0.176	9%	0.092	C	C	.	.			trans	-117.3	172.1	170.7	-165.9	14.5	0	0	0	109.1	Y435 D439 H440 N462	Y435-N437 HydrophobicContact CE1-CB 4.13Å; N437-D439 VanDerWaalsContact C-N 3.28Å; N437-D439 PolarHBondContact O-N 2.9Å; N437-H440 CarbonylContact C-O 3.58Å; N437-H440 WeakPolarHBondContact CA-O 3.36Å; N437-H440 WeakPolarHBondContact CB-O 3.21Å; N437-H440 PolarHBondContact N-O 2.68Å; N437-H440 PolarHBondContact ND2-CE1 2.93Å; N437-N462 WeakPolarHBondContact O-CB 3.37Å
438	H	87.3	Confident	93	Very high	92 Å²	92	23.7 Å²	23.7	43%	0.426	13%	0.125	S	C	.	.	S	Bend	trans	-53.3	-44.6	-177	-57.9	77.8	0	0	0	112.4	D372 N462	D372-H438 PolarHBondContact OD1-N 3.47Å; D372-H438 VanDerWaalsContact OD2-CA 3.31Å; D372-H438 WeakPolarHBondContact OD2-CA 3.47Å; D372-H438 IonicContact OD2-CD2 3.76Å; D372-H438 PolarHBondContact OD2-CD2 3.16Å; D372-H438 IonicContact OD2-CE1 3.17Å; D372-H438 IonicContact OD2-CG 2.75Å; D372-H438 IonicContact OD2-ND1 2.64Å; D372-H438 IonicContact OD2-NE2 2.77Å; D372-H438 PolarHBondContact OD2-NE2 2.84Å; H438-N462 PolarHBondContact O-ND2 2.86Å
439	D	88.5	Confident	92.7	Very high	62 Å²	62	24.3 Å²	24.3	33%	0.332	13%	0.129	S	C	.	.	S	Bend	trans	-100.6	-25.2	-169.7	-49.4	-28.9	0	0	0	112.8	N437 N462 E578	N437-D439 VanDerWaalsContact C-N 3.28Å; N437-D439 PolarHBondContact O-N 2.9Å; D439-N462 PolarHBondContact O-ND2 2.84Å; D439-E578 HydrophobicContact CB-CB 4.11Å
440	H	92	Very high	92.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	165.9	-174.1	64.7	-91.5	0	0	0	112.7	N437 Y571 L572 L579 Y582	N437-H440 CarbonylContact C-O 3.58Å; N437-H440 WeakPolarHBondContact CA-O 3.36Å; N437-H440 WeakPolarHBondContact CB-O 3.21Å; N437-H440 PolarHBondContact N-O 2.68Å; N437-H440 PolarHBondContact ND2-CE1 2.93Å; H440-Y571 AromaticContact CD2-CD1 3.83Å; H440-L572 CarbonylContact C-O 3.54Å; H440-L572 WeakPolarHBondContact CA-O 3.3Å; H440-L572 VanDerWaalsContact CB-O 3.3Å; H440-L572 WeakPolarHBondContact CB-O 2.85Å; H440-L579 HydrophobicContact CB-CD1 3.97Å; H440-Y582 AromaticContact CE1-CD1 3.59Å; H440-Y582 AromaticContact CE1-CD2 3.41Å; H440-Y582 VanDerWaalsContact CE1-CD2 3.41Å; H440-Y582 WeakPolarHBondContact CE1-CD2 3.32Å; H440-Y582 AromaticContact CE1-CE1 3.57Å; H440-Y582 AromaticContact CE1-CE2 3.38Å; H440-Y582 WeakPolarHBondContact CE1-CE2 3.45Å; H440-Y582 AromaticContact CE1-CG 3.51Å; H440-Y582 AromaticContact CE1-CZ 3.46Å; H440-Y582 VanDerWaalsContact CE1-CZ 3.46Å; H440-Y582 AromaticContact ND1-CD1 3.92Å; H440-Y582 AromaticContact ND1-CG 3.78Å; H440-Y582 AromaticContact NE2-CD1 3.93Å; H440-Y582 AromaticContact NE2-CE1 3.51Å; H440-Y582 AromaticContact NE2-CE2 3.87Å; H440-Y582 AromaticContact NE2-CZ 3.46Å
441	I	94	Very high	92.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.7	167.7	172.7	174.2	0	0	0	108.3	F434 Y435 V436 I459 L461 F470 Y571 L572	F434-I441 HydrophobicContact CB-CD1 4.16Å; F434-I441 HydrophobicContact CD1-CD1 4.03Å; F434-I441 HydrophobicContact CG-CD1 4.43Å; Y435-I441 CarbonylContact O-C 3.57Å; Y435-I441 WeakPolarHBondContact O-CA 3.43Å; V436-I441 HydrophobicContact CG2-CB 4.32Å; V436-I441 HydrophobicContact CG2-CD1 3.96Å; V436-I441 HydrophobicContact CG2-CG1 4.03Å; I441-I459 HydrophobicContact CD1-CG2 4.28Å; I441-L461 HydrophobicContact CD1-CD2 3.75Å; I441-L461 HydrophobicContact CG2-CB 4.47Å; I441-L461 HydrophobicContact CG2-CD2 4.2Å; I441-F470 HydrophobicContact CD1-CZ 4.4Å; I441-Y571 CarbonylContact O-C 3.52Å; I441-Y571 VanDerWaalsContact O-CA 3.32Å; I441-Y571 WeakPolarHBondContact O-CA 3.36Å; I441-L572 HydrophobicContact CG2-CB 3.61Å; I441-L572 WeakPolarHBondContact CG2-O 3.22Å; I441-L572 PolarHBondContact N-O 3.19Å; I441-L572 PolarHBondContact O-N 3.22Å
442	S	94	Very high	92	Very high	3 Å²	3	26 Å²	26	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.7	170	52.4	0	0	0	0	110.9	F434 Y435 D444 Y571	F434-S442 WeakPolarHBondContact CA-O 3.34Å; Y435-S442 WeakPolarHBondContact CB-OG 3.39Å; Y435-S442 PolarHBondContact N-O 3.39Å; Y435-S442 PolarHBondContact O-N 3.13Å; Y435-S442 PolarHBondContact O-OG 3.3Å; S442-D444 WeakPolarHBondContact CB-OD2 3.47Å; S442-D444 PolarHBondContact OG-OD2 3.1Å; S442-Y571 VanDerWaalsContact CB-CE1 3.48Å
443	F	95.6	Very high	92	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	90.9	171	-178	-141.5	0	0	0	109.2	G432 F434 Y445 F456 I472 L569 M570	G432-F443 VanDerWaalsContact O-CD2 3.24Å; G432-F443 WeakPolarHBondContact O-CD2 3.33Å; G432-F443 WeakPolarHBondContact O-CE2 3.43Å; F434-F443 HydrophobicContact CD1-CB 4.24Å; F434-F443 AromaticContact CD1-CD2 3.62Å; F434-F443 HydrophobicContact CD1-CD2 3.62Å; F434-F443 HydrophobicContact CD1-CE2 4.36Å; F434-F443 HydrophobicContact CD1-CG 4.26Å; F434-F443 HydrophobicContact CE1-CB 4.17Å; F434-F443 AromaticContact CE1-CD2 3.23Å; F434-F443 HydrophobicContact CE1-CD2 3.23Å; F434-F443 AromaticContact CE1-CE2 3.67Å; F434-F443 HydrophobicContact CE1-CE2 3.67Å; F434-F443 AromaticContact CE1-CG 3.82Å; F434-F443 HydrophobicContact CE1-CG 3.82Å; F434-F443 HydrophobicContact CE2-CD2 4.47Å; F434-F443 HydrophobicContact CE2-CE2 4.29Å; F434-F443 HydrophobicContact CG-CD2 4.38Å; F434-F443 AromaticContact CZ-CD2 3.72Å; F434-F443 HydrophobicContact CZ-CD2 3.72Å; F434-F443 AromaticContact CZ-CE2 3.63Å; F434-F443 HydrophobicContact CZ-CE2 3.63Å; F434-F443 HydrophobicContact CZ-CZ 4.45Å; F443-Y445 VanDerWaalsContact C-N 3.25Å; F443-Y445 HydrophobicContact CE2-CD2 4.17Å; F443-Y445 HydrophobicContact CE2-CG 4.27Å; F443-Y445 HydrophobicContact CZ-CD2 4.39Å; F443-Y445 HydrophobicContact CZ-CG 4.24Å; F443-Y445 PolarHBondContact O-N 3.22Å; F443-F456 HydrophobicContact CE2-CE2 4.25Å; F443-F456 HydrophobicContact CZ-CE2 4.19Å; F443-I472 HydrophobicContact CE1-CD1 4.34Å; F443-I472 HydrophobicContact CE1-CG1 4.3Å; F443-I472 HydrophobicContact CZ-CD1 3.81Å; F443-I472 HydrophobicContact CZ-CG1 4.19Å; F443-L569 HydrophobicContact CD1-CB 4.19Å; F443-L569 HydrophobicContact CD1-CD1 4.12Å; F443-L569 HydrophobicContact CE1-CD1 4.03Å; F443-L569 WeakPolarHBondContact O-CB 3.08Å; F443-L569 PolarHBondContact O-N 3.24Å; F443-M570 HydrophobicContact CB-CG 3.78Å; F443-M570 HydrophobicContact CD1-CE 3.65Å; F443-M570 HydrophobicContact CD1-CG 4.1Å; F443-M570 HydrophobicContact CD1-SD 4.47Å; F443-M570 HydrophobicContact CE1-CE 4.1Å; F443-M570 HydrophobicContact CG-CG 4.45Å; F443-M570 PolarHBondContact N-O 2.82Å
444	D	93.8	Very high	92.1	Very high	51 Å²	51	28.8 Å²	28.8	27%	0.273	15%	0.15	S	C	.	.			trans	-92.1	32.3	-170.3	-58.2	-54.7	0	0	0	112.6	S433 Y435 S442 A568	S433-D444 WeakPolarHBondContact O-CB 3.44Å; S433-D444 PolarHBondContact O-N 3.19Å; S433-D444 PolarHBondContact OG-O 3.29Å; Y435-D444 VanDerWaalsContact CB-OD2 3.31Å; Y435-D444 WeakPolarHBondContact CB-OD2 3.33Å; S442-D444 WeakPolarHBondContact CB-OD2 3.47Å; S442-D444 PolarHBondContact OG-OD2 3.1Å; D444-A568 VanDerWaalsContact OD1-CA 3.25Å; D444-A568 WeakPolarHBondContact OD1-CA 3.44Å; D444-A568 WeakPolarHBondContact OD1-CB 3.27Å
445	Y	93.9	Very high	92.2	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.016	16%	0.16	C	C	.	.			trans	-67.9	129.4	179.7	-157.8	-83.6	0	0	0	110.4	Y379 F443 S449 L450 I472 L569	Y379-Y445 HydrophobicContact CD2-CE2 4.2Å; Y379-Y445 HydrophobicContact CG-CE2 4.44Å; F443-Y445 VanDerWaalsContact C-N 3.25Å; F443-Y445 HydrophobicContact CE2-CD2 4.17Å; F443-Y445 HydrophobicContact CE2-CG 4.27Å; F443-Y445 HydrophobicContact CZ-CD2 4.39Å; F443-Y445 HydrophobicContact CZ-CG 4.24Å; F443-Y445 PolarHBondContact O-N 3.22Å; Y445-S449 WeakPolarHBondContact CE1-O 3.24Å; Y445-L450 HydrophobicContact CD1-CD2 3.36Å; Y445-L450 HydrophobicContact CD1-CG 4.04Å; Y445-L450 HydrophobicContact CE1-CD2 3.75Å; Y445-L450 HydrophobicContact CE1-CG 4.39Å; Y445-L450 HydrophobicContact CG-CD2 4.24Å; Y445-I472 HydrophobicContact CD1-CD1 4.41Å; Y445-I472 HydrophobicContact CG-CD1 4.44Å; Y445-L569 VanDerWaalsContact O-CD1 3.29Å; Y445-L569 WeakPolarHBondContact O-CD1 3.5Å; Y445-L569 VanDerWaalsContact O-CG 3.31Å; Y445-L569 WeakPolarHBondContact O-CG 3.4Å
446	P	92.1	Very high	92.4	Very high	38 Å²	38	28.6 Å²	28.6	25%	0.247	15%	0.152	C	C	.	.			trans	-65	130.4	-174.2	-27.4	38.3	0	0	0	112.7	Y379 D448 S449	Y379-P446 VanDerWaalsContact CD1-CD 3.48Å; Y379-P446 HydrophobicContact CD1-CG 3.52Å; Y379-P446 HydrophobicContact CE1-CB 4.39Å; Y379-P446 HydrophobicContact CE1-CG 3.64Å; P446-D448 VanDerWaalsContact C-N 3.28Å; P446-D448 PolarHBondContact O-N 3.26Å; P446-S449 WeakPolarHBondContact O-CB 3.16Å; P446-S449 PolarHBondContact O-N 2.82Å
447	P	91.5	Very high	92.6	Very high	32 Å²	32	33 Å²	33	21%	0.208	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-55	-40.4	-179.1	-25.7	31.7	0	0	0	113.8	S449 L450 F560 V562 L569 P595	P447-S449 PolarHBondContact O-N 3.33Å; P447-S449 VanDerWaalsContact O-N 3.16Å; P447-L450 PolarHBondContact O-N 3.42Å; P447-F560 HydrophobicContact CB-CE2 4.44Å; P447-F560 HydrophobicContact CB-CZ 4.25Å; P447-V562 HydrophobicContact CB-CG2 3.97Å; P447-V562 HydrophobicContact CG-CG1 4.31Å; P447-V562 HydrophobicContact CG-CG2 3.73Å; P447-L569 HydrophobicContact CG-CD2 3.91Å; P447-P595 HydrophobicContact CB-CG 4.01Å
448	D	88.7	Confident	93	Very high	129 Å²	129	31.7 Å²	31.7	69%	0.69	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-68.9	-12.8	-179.9	-61.6	-33.6	0	0	0	113.4	P446	P446-D448 VanDerWaalsContact C-N 3.28Å; P446-D448 PolarHBondContact O-N 3.26Å
449	S	90	Very high	93.4	Very high	13 Å²	13	27.3 Å²	27.3	9%	0.091	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-99.8	4.1	-177.4	-60	0	0	0	0	113.4	Y379 Y445 P446 P447 Y451	Y379-S449 WeakPolarHBondContact OH-CB 3.48Å; Y379-S449 PolarHBondContact OH-OG 2.89Å; Y445-S449 WeakPolarHBondContact CE1-O 3.24Å; P446-S449 WeakPolarHBondContact O-CB 3.16Å; P446-S449 PolarHBondContact O-N 2.82Å; P447-S449 PolarHBondContact O-N 3.33Å; P447-S449 VanDerWaalsContact O-N 3.16Å; S449-Y451 VanDerWaalsContact C-N 3.32Å; S449-Y451 WeakPolarHBondContact O-CD1 3.33Å; S449-Y451 WeakPolarHBondContact O-CE1 3.35Å; S449-Y451 PolarHBondContact O-N 3Å
450	L	91	Very high	93.6	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	13%	0.126	C	C	.	.			trans	-83.9	72.5	179.5	-61.5	168.3	0	0	0	110.7	Y445 P447 I472 V489 F560 L569	Y445-L450 HydrophobicContact CD1-CD2 3.36Å; Y445-L450 HydrophobicContact CD1-CG 4.04Å; Y445-L450 HydrophobicContact CE1-CD2 3.75Å; Y445-L450 HydrophobicContact CE1-CG 4.39Å; Y445-L450 HydrophobicContact CG-CD2 4.24Å; P447-L450 PolarHBondContact O-N 3.42Å; L450-I472 HydrophobicContact CD2-CD1 3.45Å; L450-I472 VanDerWaalsContact CD2-CD1 3.45Å; L450-I472 HydrophobicContact CD2-CG1 3.92Å; L450-I472 HydrophobicContact CD2-CG2 3.86Å; L450-V489 HydrophobicContact CB-CG1 4.37Å; L450-V489 HydrophobicContact CB-CG2 3.99Å; L450-V489 HydrophobicContact CD1-CG1 4.16Å; L450-F560 HydrophobicContact CD1-CD2 4.36Å; L450-F560 HydrophobicContact CD1-CE2 3.51Å; L450-F560 HydrophobicContact CD1-CZ 3.62Å; L450-L569 HydrophobicContact CD1-CD1 3.92Å; L450-L569 HydrophobicContact CD2-CD1 4.31Å
451	Y	88.4	Confident	93.7	Very high	24 Å²	24	24.5 Å²	24.5	9%	0.094	13%	0.126	C	C	.	.			trans	-121.7	10.5	-177.2	53.9	-101.1	0	0	0	113.9	S449 L474 I601 H605	S449-Y451 VanDerWaalsContact C-N 3.32Å; S449-Y451 WeakPolarHBondContact O-CD1 3.33Å; S449-Y451 WeakPolarHBondContact O-CE1 3.35Å; S449-Y451 PolarHBondContact O-N 3Å; Y451-L474 VanDerWaalsContact C-CD1 3.48Å; Y451-L474 WeakPolarHBondContact O-CD1 3.29Å; Y451-I601 HydrophobicContact CD1-CG2 3.93Å; Y451-I601 HydrophobicContact CD2-CG2 4.19Å; Y451-I601 HydrophobicContact CG-CG2 3.71Å; Y451-H605 AromaticContact CD2-CD2 3.35Å; Y451-H605 WeakPolarHBondContact CD2-CD2 3.38Å; Y451-H605 AromaticContact CD2-CE1 3.83Å; Y451-H605 AromaticContact CD2-CG 3.84Å; Y451-H605 AromaticContact CD2-NE2 3.37Å; Y451-H605 WeakPolarHBondContact CD2-NE2 3.43Å; Y451-H605 AromaticContact CE2-CD2 3.73Å; Y451-H605 AromaticContact CE2-CE1 3.4Å; Y451-H605 WeakPolarHBondContact CE2-CE1 3.24Å; Y451-H605 AromaticContact CE2-ND1 3.96Å; Y451-H605 AromaticContact CE2-NE2 3.22Å; Y451-H605 WeakPolarHBondContact CE2-NE2 3.45Å; Y451-H605 AromaticContact CZ-NE2 3.97Å
452	R	92.2	Very high	93.5	Very high	9 Å²	9	24.8 Å²	24.8	3%	0.034	13%	0.127	C	C	.	.	S	Bend	trans	-141.2	156.5	175.8	-71.4	-163.7	-69.1	174.8	-8.7	112.1	I325 S326 V334 I454	I325-R452 VanDerWaalsContact CD1-NH2 3.3Å; I325-R452 HydrophobicContact CG1-CB 4.46Å; S326-R452 WeakPolarHBondContact OG-CB 3.33Å; V334-R452 PolarHBondContact O-NH1 3.13Å; V334-R452 PolarHBondContact O-NH2 2.97Å; V334-R452 VanDerWaalsContact O-NH2 3.13Å; R452-I454 HydrophobicContact CB-CG1 4.3Å
453	D	94.3	Very high	93.4	Very high	59 Å²	59	27.3 Å²	27.3	32%	0.316	14%	0.138	S	C	.	.			trans	-76.2	126.1	168.4	-55.2	-42.5	0	0	0	108.5	I325 S326 I472 R473 L474	I325-D453 WeakPolarHBondContact CA-O 3.39Å; S326-D453 PolarHBondContact N-O 2.96Å; S326-D453 PolarHBondContact OG-N 2.87Å; D453-I472 CarbonylContact C-O 3.55Å; D453-I472 VanDerWaalsContact CA-O 3.29Å; D453-I472 WeakPolarHBondContact CA-O 3.44Å; D453-R473 WeakPolarHBondContact OD1-CA 3.49Å; D453-L474 PolarHBondContact OD1-N 2.75Å
454	I	96.5	Very high	93.1	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	130.7	-177.7	-50.2	-179.8	0	0	0	109.1	I323 T324 I325 L381 R452 F456 E471 I472	I323-I454 HydrophobicContact CD1-CG2 3.71Å; I323-I454 HydrophobicContact CG1-CG2 3.8Å; T324-I454 CarbonylContact O-C 3.52Å; T324-I454 WeakPolarHBondContact O-CA 3.48Å; I325-I454 HydrophobicContact CD1-CD1 3.91Å; I325-I454 HydrophobicContact CD1-CG1 3.86Å; I325-I454 HydrophobicContact CG1-CG1 4.01Å; L381-I454 HydrophobicContact CD2-CD1 4.31Å; R452-I454 HydrophobicContact CB-CG1 4.3Å; I454-F456 HydrophobicContact CB-CE2 4.26Å; I454-F456 HydrophobicContact CG2-CD2 3.97Å; I454-F456 HydrophobicContact CG2-CE1 4.24Å; I454-F456 HydrophobicContact CG2-CE2 3.46Å; I454-F456 VanDerWaalsContact CG2-CE2 3.46Å; I454-F456 HydrophobicContact CG2-CZ 3.62Å; I454-E471 CarbonylContact O-C 3.59Å; I454-E471 VanDerWaalsContact O-CA 3.31Å; I454-E471 WeakPolarHBondContact O-CA 2.9Å; I454-I472 HydrophobicContact CB-CB 4.36Å; I454-I472 HydrophobicContact CB-CD1 4.26Å; I454-I472 HydrophobicContact CD1-CD1 4.24Å; I454-I472 PolarHBondContact N-O 2.94Å; I454-I472 PolarHBondContact O-N 2.78Å
455	L	97.7	Very high	93	Very high	40 Å²	40	26.4 Å²	26.4	21%	0.209	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113	172	171.8	66.5	0	0	0	109.2	I323 T324 R457 F470 E471 W494	I323-L455 CarbonylContact C-O 3.6Å; I323-L455 VanDerWaalsContact CA-O 3.29Å; I323-L455 WeakPolarHBondContact CA-O 3.44Å; T324-L455 PolarHBondContact N-O 2.92Å; T324-L455 PolarHBondContact O-N 3.33Å; L455-R457 HydrophobicContact CD2-CG 3.94Å; L455-R457 HydrophobicContact CG-CG 3.83Å; L455-F470 CarbonylContact C-O 3.2Å; L455-F470 WeakPolarHBondContact CA-O 3.26Å; L455-E471 HydrophobicContact CB-CG 4.5Å; L455-E471 HydrophobicContact CD1-CB 4.02Å; L455-E471 HydrophobicContact CD1-CG 4.22Å; L455-W494 HydrophobicContact CD1-CH2 3.55Å; L455-W494 HydrophobicContact CD1-CZ2 3.89Å
456	F	97.8	Very high	93.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.2	167.6	-58.9	-85.7	0	0	0	109	I323 I431 G432 F434 F443 I454 I459 N469 F470 I472	I323-F456 HydrophobicContact CB-CD1 4.43Å; I323-F456 HydrophobicContact CD1-CD1 4.07Å; I323-F456 HydrophobicContact CD1-CE1 3.55Å; I323-F456 HydrophobicContact CD1-CZ 4.07Å; I323-F456 HydrophobicContact CG1-CD1 4.16Å; I323-F456 HydrophobicContact CG1-CE1 4.14Å; I431-F456 HydrophobicContact CB-CE1 4.22Å; I431-F456 HydrophobicContact CG2-CE1 3.91Å; I431-F456 HydrophobicContact CG2-CZ 4.36Å; G432-F456 VanDerWaalsContact CA-CZ 3.45Å; F434-F456 HydrophobicContact CE2-CB 4.17Å; F434-F456 AromaticContact CE2-CD1 3.74Å; F434-F456 HydrophobicContact CE2-CD1 3.74Å; F434-F456 HydrophobicContact CE2-CD2 4.05Å; F434-F456 HydrophobicContact CE2-CE1 4.06Å; F434-F456 HydrophobicContact CE2-CE2 4.36Å; F434-F456 AromaticContact CE2-CG 3.72Å; F434-F456 HydrophobicContact CE2-CG 3.72Å; F434-F456 HydrophobicContact CE2-CZ 4.37Å; F434-F456 HydrophobicContact CZ-CB 4.1Å; F434-F456 HydrophobicContact CZ-CD1 4.33Å; F434-F456 AromaticContact CZ-CD2 3.83Å; F434-F456 HydrophobicContact CZ-CD2 3.83Å; F434-F456 HydrophobicContact CZ-CE2 4.31Å; F434-F456 AromaticContact CZ-CG 3.83Å; F434-F456 HydrophobicContact CZ-CG 3.83Å; F443-F456 HydrophobicContact CE2-CE2 4.25Å; F443-F456 HydrophobicContact CZ-CE2 4.19Å; I454-F456 HydrophobicContact CB-CE2 4.26Å; I454-F456 HydrophobicContact CG2-CD2 3.97Å; I454-F456 HydrophobicContact CG2-CE1 4.24Å; I454-F456 HydrophobicContact CG2-CE2 3.46Å; I454-F456 VanDerWaalsContact CG2-CE2 3.46Å; I454-F456 HydrophobicContact CG2-CZ 3.62Å; F456-I459 HydrophobicContact CB-CD1 3.99Å; F456-I459 HydrophobicContact CB-CG1 3.81Å; F456-N469 CarbonylContact O-C 3.54Å; F456-N469 VanDerWaalsContact O-CA 3.23Å; F456-N469 WeakPolarHBondContact O-CA 3.38Å; F456-F470 HydrophobicContact CB-CB 4.2Å; F456-F470 HydrophobicContact CD2-CB 4.25Å; F456-F470 PolarHBondContact N-O 2.84Å; F456-F470 PolarHBondContact O-N 3.36Å; F456-I472 HydrophobicContact CE2-CD1 4.4Å
457	R	96.9	Very high	93.2	Very high	91 Å²	91	25.5 Å²	25.5	34%	0.343	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.3	-178.8	-56.4	-174.6	-57.9	-145.2	2.2	109.3	S321 G322 T324 L455 N469	S321-R457 WeakPolarHBondContact CA-O 3.49Å; G322-R457 PolarHBondContact N-O 2.61Å; G322-R457 VanDerWaalsContact N-O 3.07Å; G322-R457 PolarHBondContact O-N 3.42Å; T324-R457 PolarHBondContact OG1-NH1 2.88Å; L455-R457 HydrophobicContact CD2-CG 3.94Å; L455-R457 HydrophobicContact CG-CG 3.83Å; R457-N469 WeakPolarHBondContact CA-OD1 3.43Å
458	R	96.2	Very high	93.5	Very high	6 Å²	6	24 Å²	24	2%	0.023	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.3	54.4	167.9	-159.7	-176.9	-163.3	83	-11.6	112.6	S321 Q425 Y467 A468 N469 S496 P497 L499 E529	S321-R458 PolarHBondContact OG-O 3.07Å; Q425-R458 PolarHBondContact NE2-O 3.4Å; R458-Y467 HydrophobicContact CG-CD1 3.61Å; R458-Y467 HydrophobicContact CG-CE1 4.37Å; R458-Y467 HydrophobicContact CG-CG 3.74Å; R458-A468 PolarHBondContact N-O 3.07Å; R458-N469 PolarHBondContact N-OD1 3.45Å; R458-S496 PolarHBondContact NH1-OG 3.02Å; R458-P497 PolarHBondContact NH1-O 3.4Å; R458-L499 VanDerWaalsContact NH2-CA 3.28Å; R458-E529 IonicContact CZ-OE1 2.64Å; R458-E529 IonicContact CZ-OE2 3.93Å; R458-E529 IonicContact NE-OE1 2.83Å; R458-E529 IonicContact NH2-OE1 2.8Å; R458-E529 PolarHBondContact NH2-OE1 3.11Å; R458-E529 IonicContact NH2-OE2 3.71Å; R458-E529 PolarHBondContact NH2-OE2 2.9Å
459	I	96	Very high	93.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.4	171.1	-57.3	-53	0	0	0	108.6	L428 F434 I441 F456 L461 Y467 A468 F470	L428-I459 HydrophobicContact CB-CD1 3.77Å; L428-I459 HydrophobicContact CD1-CD1 4.17Å; L428-I459 HydrophobicContact CG-CD1 4.5Å; F434-I459 HydrophobicContact CD2-CG1 4.48Å; F434-I459 HydrophobicContact CD2-CG2 4.29Å; F434-I459 HydrophobicContact CE2-CD1 4.19Å; F434-I459 HydrophobicContact CE2-CG1 3.97Å; F434-I459 HydrophobicContact CG-CG2 4.27Å; F434-I459 HydrophobicContact CZ-CG1 4.14Å; I441-I459 HydrophobicContact CD1-CG2 4.28Å; F456-I459 HydrophobicContact CB-CD1 3.99Å; F456-I459 HydrophobicContact CB-CG1 3.81Å; I459-L461 HydrophobicContact CG2-CD2 4.42Å; I459-L461 WeakPolarHBondContact O-CD2 3.29Å; I459-Y467 WeakPolarHBondContact O-CA 3.29Å; I459-A468 PolarHBondContact N-O 2.71Å; I459-A468 PolarHBondContact O-N 3.16Å; I459-A468 VanDerWaalsContact O-N 3.11Å; I459-F470 HydrophobicContact CB-CD2 4.12Å; I459-F470 HydrophobicContact CB-CE2 3.93Å; I459-F470 HydrophobicContact CG1-CD2 3.97Å; I459-F470 HydrophobicContact CG1-CE2 4.29Å; I459-F470 HydrophobicContact CG2-CE2 4.29Å
460	H	93.6	Very high	94.3	Very high	5 Å²	5	17.8 Å²	17.8	2%	0.023	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.6	178.7	-161.6	173.6	0	0	0	110.4	Y364 Y368 Q425 R429 K463 G465 V466 Y467	Y364-H460 PolarHBondContact OH-CE1 3.48Å; Y368-H460 AromaticContact CD2-CE1 3.7Å; Y368-H460 AromaticContact CE2-CE1 2.95Å; Y368-H460 WeakPolarHBondContact CE2-CE1 3.28Å; Y368-H460 AromaticContact CE2-ND1 3.47Å; Y368-H460 WeakPolarHBondContact CE2-ND1 3.28Å; Y368-H460 AromaticContact CE2-NE2 3.35Å; Y368-H460 WeakPolarHBondContact CE2-NE2 2.98Å; Y368-H460 AromaticContact CZ-CD2 3.72Å; Y368-H460 AromaticContact CZ-CE1 3.4Å; Y368-H460 AromaticContact CZ-ND1 3.86Å; Y368-H460 AromaticContact CZ-NE2 3.27Å; Y368-H460 VanDerWaalsContact CZ-NE2 3.27Å; Y368-H460 PolarHBondContact OH-CD2 2.81Å; Y368-H460 PolarHBondContact OH-NE2 3.08Å; Q425-H460 HydrophobicContact CG-CB 4.15Å; R429-H460 PolarHBondContact NH2-O 3.49Å; H460-K463 PolarHBondContact NE2-O 2.82Å; H460-G465 PolarHBondContact NE2-N 2.87Å; H460-V466 PolarHBondContact CD2-O 2.86Å; H460-Y467 HydrophobicContact CB-CD1 3.86Å; H460-Y467 HydrophobicContact CB-CE1 3.48Å; H460-Y467 VanDerWaalsContact CB-CE1 3.48Å; H460-Y467 AromaticContact CD2-CE1 3.88Å; H460-Y467 AromaticContact CG-CE1 3.46Å; H460-Y467 VanDerWaalsContact CG-CE1 3.46Å; H460-Y467 AromaticContact CG-CZ 3.87Å; H460-Y467 AromaticContact ND1-CE1 3.9Å; H460-Y467 AromaticContact ND1-CZ 4Å
461	L	93.1	Very high	94.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.			trans	-87	-167.7	-174.8	-48.6	-167.4	0	0	0	112.7	Y368 I441 I459 K463 V466 A468 F470 L537 L572	Y368-L461 WeakPolarHBondContact CE1-O 3.21Å; Y368-L461 PolarHBondContact OH-O 3.13Å; I441-L461 HydrophobicContact CD1-CD2 3.75Å; I441-L461 HydrophobicContact CG2-CB 4.47Å; I441-L461 HydrophobicContact CG2-CD2 4.2Å; I459-L461 HydrophobicContact CG2-CD2 4.42Å; I459-L461 WeakPolarHBondContact O-CD2 3.29Å; L461-K463 VanDerWaalsContact C-N 3.31Å; L461-K463 PolarHBondContact O-N 2.85Å; L461-V466 HydrophobicContact CB-CB 4.5Å; L461-V466 HydrophobicContact CB-CG1 4.36Å; L461-V466 HydrophobicContact CD1-CG1 3.88Å; L461-V466 HydrophobicContact CG-CG1 4.27Å; L461-V466 PolarHBondContact N-O 3.03Å; L461-A468 HydrophobicContact CD1-CB 3.99Å; L461-A468 HydrophobicContact CD2-CB 4.16Å; L461-A468 HydrophobicContact CG-CB 4.42Å; L461-F470 HydrophobicContact CD2-CE2 4.05Å; L461-F470 HydrophobicContact CD2-CZ 4.15Å; L461-L537 HydrophobicContact CD1-CD1 3.5Å; L461-L537 HydrophobicContact CD1-CD2 3.69Å; L461-L537 HydrophobicContact CD1-CG 4.26Å; L461-L572 HydrophobicContact CD1-CD2 4.44Å
462	N	89.6	Confident	95	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.037	8%	0.082	C	C	.	.	S	Bend	trans	-72.1	-12.1	-174.4	68.5	-54.3	0	0	0	115.9	Y368 V436 N437 H438 D439	Y368-N462 WeakPolarHBondContact CE1-O 3.49Å; V436-N462 HydrophobicContact CG1-CB 3.96Å; N437-N462 WeakPolarHBondContact O-CB 3.37Å; H438-N462 PolarHBondContact O-ND2 2.86Å; D439-N462 PolarHBondContact O-ND2 2.84Å
463	K	91.5	Very high	95.1	Very high	55 Å²	55	21.8 Å²	21.8	24%	0.239	10%	0.1	C	C	.	.	S	Bend	trans	-111.6	144.4	172.7	-58.7	-68.6	-169.4	178.5	0	110.9	H460 L461 V466 I535 T574 E575	H460-K463 PolarHBondContact NE2-O 2.82Å; L461-K463 VanDerWaalsContact C-N 3.31Å; L461-K463 PolarHBondContact O-N 2.85Å; K463-V466 HydrophobicContact CB-CG2 3.96Å; K463-V466 PolarHBondContact O-N 2.83Å; K463-I535 HydrophobicContact CB-CD1 4.46Å; K463-T574 HydrophobicContact CB-CG2 4.21Å; K463-T574 WeakPolarHBondContact CE-OG1 3.32Å; K463-T574 HydrophobicContact CG-CG2 3.7Å; K463-T574 WeakPolarHBondContact CG-OG1 3.39Å; K463-E575 IonicContact NZ-OE1 2.67Å; K463-E575 PolarHBondContact NZ-OE1 3.13Å
464	P	90.9	Very high	94.9	Very high	28 Å²	28	19.7 Å²	19.7	18%	0.182	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	138.3	179.7	25.1	-33.6	0	0	0	111.3	Y364 K365 Y368 V466 L528	Y364-P464 HydrophobicContact CE1-CB 4.47Å; K365-P464 HydrophobicContact CB-CG 4.3Å; K365-P464 HydrophobicContact CG-CB 4.11Å; K365-P464 HydrophobicContact CG-CG 3.91Å; Y368-P464 HydrophobicContact CD1-CB 4.2Å; Y368-P464 HydrophobicContact CD1-CG 4.47Å; Y368-P464 HydrophobicContact CG-CB 4.05Å; P464-V466 PolarHBondContact O-N 2.94Å; P464-L528 HydrophobicContact CB-CD1 4.09Å
465	G	91.9	Very high	94.4	Very high	6 Å²	6	23 Å²	23	6%	0.062	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-1.6	180	0	0	0	0	0	115.6	H460 Y467	H460-G465 PolarHBondContact NE2-N 2.87Å; G465-Y467 WeakPolarHBondContact O-CD2 3.22Å
466	V	94.4	Very high	93.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	12%	0.117	C	C	.	.			trans	-96.6	119.1	177.4	-174.1	0	0	0	0	110.3	H460 L461 K463 P464 A532 I535 T574	H460-V466 PolarHBondContact CD2-O 2.86Å; L461-V466 HydrophobicContact CB-CB 4.5Å; L461-V466 HydrophobicContact CB-CG1 4.36Å; L461-V466 HydrophobicContact CD1-CG1 3.88Å; L461-V466 HydrophobicContact CG-CG1 4.27Å; L461-V466 PolarHBondContact N-O 3.03Å; K463-V466 HydrophobicContact CB-CG2 3.96Å; K463-V466 PolarHBondContact O-N 2.83Å; P464-V466 PolarHBondContact O-N 2.94Å; V466-A532 HydrophobicContact CG2-CB 3.97Å; V466-I535 HydrophobicContact CG2-CB 4.21Å; V466-I535 HydrophobicContact CG2-CD1 3.94Å; V466-I535 HydrophobicContact CG2-CG2 4.08Å; V466-T574 HydrophobicContact CG1-CG2 4.46Å; V466-T574 HydrophobicContact CG2-CG2 4.47Å
467	Y	95.5	Very high	91.5	Very high	20 Å²	20	32.5 Å²	32.5	8%	0.078	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.8	180	-60	-88.1	0	0	0	112.1	R458 I459 H460 G465 S496 E529	R458-Y467 HydrophobicContact CG-CD1 3.61Å; R458-Y467 HydrophobicContact CG-CE1 4.37Å; R458-Y467 HydrophobicContact CG-CG 3.74Å; I459-Y467 WeakPolarHBondContact O-CA 3.29Å; H460-Y467 HydrophobicContact CB-CD1 3.86Å; H460-Y467 HydrophobicContact CB-CE1 3.48Å; H460-Y467 VanDerWaalsContact CB-CE1 3.48Å; H460-Y467 AromaticContact CD2-CE1 3.88Å; H460-Y467 AromaticContact CG-CE1 3.46Å; H460-Y467 VanDerWaalsContact CG-CE1 3.46Å; H460-Y467 AromaticContact CG-CZ 3.87Å; H460-Y467 AromaticContact ND1-CE1 3.9Å; H460-Y467 AromaticContact ND1-CZ 4Å; G465-Y467 WeakPolarHBondContact O-CD2 3.22Å; Y467-S496 PolarHBondContact O-N 3.33Å; Y467-E529 HydrophobicContact CD2-CG 3.92Å; Y467-E529 HydrophobicContact CE2-CG 3.77Å
468	A	96.9	Very high	89.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.2	171.9	0	0	0	0	0	111.7	R458 I459 L461 F470 V493 W494 L537	R458-A468 PolarHBondContact N-O 3.07Å; I459-A468 PolarHBondContact N-O 2.71Å; I459-A468 PolarHBondContact O-N 3.16Å; I459-A468 VanDerWaalsContact O-N 3.11Å; L461-A468 HydrophobicContact CD1-CB 3.99Å; L461-A468 HydrophobicContact CD2-CB 4.16Å; L461-A468 HydrophobicContact CG-CB 4.42Å; A468-F470 HydrophobicContact CB-CE2 3.89Å; A468-F470 HydrophobicContact CB-CZ 4.35Å; A468-V493 HydrophobicContact CB-CG2 4.26Å; A468-W494 CarbonylContact C-O 3.54Å; A468-W494 WeakPolarHBondContact CA-O 3.39Å; A468-W494 WeakPolarHBondContact CB-O 3.43Å; A468-L537 HydrophobicContact CB-CD2 4.24Å
469	N	98	Very high	87.4	Confident	11 Å²	11	41.2 Å²	41.2	6%	0.059	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.2	170.3	-57.9	-32.8	0	0	0	108.5	F456 R457 R458 V493 W494 S496	F456-N469 CarbonylContact O-C 3.54Å; F456-N469 VanDerWaalsContact O-CA 3.23Å; F456-N469 WeakPolarHBondContact O-CA 3.38Å; R457-N469 WeakPolarHBondContact CA-OD1 3.43Å; R458-N469 PolarHBondContact N-OD1 3.45Å; N469-V493 WeakPolarHBondContact O-CA 3.43Å; N469-V493 WeakPolarHBondContact O-CG2 3.4Å; N469-W494 HydrophobicContact CB-CD2 3.93Å; N469-W494 HydrophobicContact CB-CE3 4.44Å; N469-W494 HydrophobicContact CB-CG 4.41Å; N469-W494 HydrophobicContact CB-CH2 4.23Å; N469-W494 HydrophobicContact CB-CZ2 3.69Å; N469-W494 PolarHBondContact N-O 2.57Å; N469-W494 PolarHBondContact ND2-NE1 3.31Å; N469-W494 PolarHBondContact O-N 3.08Å; N469-W494 VanDerWaalsContact O-N 3.16Å; N469-S496 PolarHBondContact OD1-OG 3.47Å
470	F	98	Very high	85	Confident	1 Å²	1	42 Å²	42	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.5	179.1	-62.9	-104.8	0	0	0	108.9	F434 I441 L455 F456 I459 L461 A468 S492 V493 M570 L572	F434-F470 HydrophobicContact CD1-CZ 4.44Å; F434-F470 HydrophobicContact CE1-CB 4.21Å; F434-F470 AromaticContact CE1-CD1 3.68Å; F434-F470 HydrophobicContact CE1-CD1 3.68Å; F434-F470 AromaticContact CE1-CD2 3.73Å; F434-F470 HydrophobicContact CE1-CD2 3.73Å; F434-F470 AromaticContact CE1-CE1 3.84Å; F434-F470 HydrophobicContact CE1-CE1 3.84Å; F434-F470 AromaticContact CE1-CE2 3.93Å; F434-F470 HydrophobicContact CE1-CE2 3.93Å; F434-F470 AromaticContact CE1-CG 3.61Å; F434-F470 HydrophobicContact CE1-CG 3.61Å; F434-F470 AromaticContact CE1-CZ 3.98Å; F434-F470 HydrophobicContact CE1-CZ 3.98Å; F434-F470 HydrophobicContact CZ-CB 3.94Å; F434-F470 HydrophobicContact CZ-CD1 4.28Å; F434-F470 AromaticContact CZ-CD2 3.86Å; F434-F470 HydrophobicContact CZ-CD2 3.86Å; F434-F470 HydrophobicContact CZ-CE2 4.44Å; F434-F470 AromaticContact CZ-CG 3.78Å; F434-F470 HydrophobicContact CZ-CG 3.78Å; I441-F470 HydrophobicContact CD1-CZ 4.4Å; L455-F470 CarbonylContact C-O 3.2Å; L455-F470 WeakPolarHBondContact CA-O 3.26Å; F456-F470 HydrophobicContact CB-CB 4.2Å; F456-F470 HydrophobicContact CD2-CB 4.25Å; F456-F470 PolarHBondContact N-O 2.84Å; F456-F470 PolarHBondContact O-N 3.36Å; I459-F470 HydrophobicContact CB-CD2 4.12Å; I459-F470 HydrophobicContact CB-CE2 3.93Å; I459-F470 HydrophobicContact CG1-CD2 3.97Å; I459-F470 HydrophobicContact CG1-CE2 4.29Å; I459-F470 HydrophobicContact CG2-CE2 4.29Å; L461-F470 HydrophobicContact CD2-CE2 4.05Å; L461-F470 HydrophobicContact CD2-CZ 4.15Å; A468-F470 HydrophobicContact CB-CE2 3.89Å; A468-F470 HydrophobicContact CB-CZ 4.35Å; F470-S492 WeakPolarHBondContact CA-O 3.05Å; F470-V493 HydrophobicContact CD1-CG2 3.94Å; F470-V493 HydrophobicContact CE1-CG2 3.88Å; F470-V493 HydrophobicContact CG-CG2 4.35Å; F470-V493 HydrophobicContact CZ-CG2 4.21Å; F470-M570 HydrophobicContact CD1-CE 4.43Å; F470-M570 HydrophobicContact CD1-SD 4.12Å; F470-M570 HydrophobicContact CE1-SD 4.18Å; F470-L572 HydrophobicContact CE1-CD1 3.45Å; F470-L572 VanDerWaalsContact CE1-CD1 3.45Å; F470-L572 HydrophobicContact CE1-CD2 4.29Å; F470-L572 HydrophobicContact CZ-CD1 3.81Å; F470-L572 HydrophobicContact CZ-CD2 4.07Å
471	E	97.7	Very high	83	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.075	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.3	-176.8	-168.7	-177.8	-141.3	0	0	110.8	I454 L455 R473 L491 S492 W494 R555	I454-E471 CarbonylContact O-C 3.59Å; I454-E471 VanDerWaalsContact O-CA 3.31Å; I454-E471 WeakPolarHBondContact O-CA 2.9Å; L455-E471 HydrophobicContact CB-CG 4.5Å; L455-E471 HydrophobicContact CD1-CB 4.02Å; L455-E471 HydrophobicContact CD1-CG 4.22Å; E471-R473 HydrophobicContact CG-CG 3.91Å; E471-R473 IonicContact OE1-CZ 3.22Å; E471-R473 IonicContact OE1-NE 3.16Å; E471-R473 PolarHBondContact OE1-NE 2.83Å; E471-R473 IonicContact OE1-NH2 3.28Å; E471-R473 PolarHBondContact OE1-NH2 3.41Å; E471-R473 IonicContact OE2-CZ 3.64Å; E471-R473 IonicContact OE2-NE 3.26Å; E471-R473 PolarHBondContact OE2-NE 3.27Å; E471-R473 IonicContact OE2-NH2 3.13Å; E471-L491 CarbonylContact O-C 3.55Å; E471-L491 WeakPolarHBondContact O-CA 2.98Å; E471-S492 PolarHBondContact N-O 2.81Å; E471-S492 PolarHBondContact O-N 3.08Å; E471-W494 HydrophobicContact CB-CH2 3.78Å; E471-W494 HydrophobicContact CB-CZ3 3.66Å; E471-W494 HydrophobicContact CG-CH2 4.43Å; E471-R555 IonicContact OE2-CZ 3.6Å; E471-R555 VanDerWaalsContact OE2-CZ 3.26Å; E471-R555 IonicContact OE2-NE 3.64Å; E471-R555 PolarHBondContact OE2-NE 2.81Å; E471-R555 IonicContact OE2-NH2 2.81Å; E471-R555 PolarHBondContact OE2-NH2 3.13Å
472	I	96.3	Very high	81.1	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.8	167.5	-61.8	160.9	0	0	0	105.8	F443 Y445 L450 D453 I454 F456 V489 L491	F443-I472 HydrophobicContact CE1-CD1 4.34Å; F443-I472 HydrophobicContact CE1-CG1 4.3Å; F443-I472 HydrophobicContact CZ-CD1 3.81Å; F443-I472 HydrophobicContact CZ-CG1 4.19Å; Y445-I472 HydrophobicContact CD1-CD1 4.41Å; Y445-I472 HydrophobicContact CG-CD1 4.44Å; L450-I472 HydrophobicContact CD2-CD1 3.45Å; L450-I472 VanDerWaalsContact CD2-CD1 3.45Å; L450-I472 HydrophobicContact CD2-CG1 3.92Å; L450-I472 HydrophobicContact CD2-CG2 3.86Å; D453-I472 CarbonylContact C-O 3.55Å; D453-I472 VanDerWaalsContact CA-O 3.29Å; D453-I472 WeakPolarHBondContact CA-O 3.44Å; I454-I472 HydrophobicContact CB-CB 4.36Å; I454-I472 HydrophobicContact CB-CD1 4.26Å; I454-I472 HydrophobicContact CD1-CD1 4.24Å; I454-I472 PolarHBondContact N-O 2.94Å; I454-I472 PolarHBondContact O-N 2.78Å; F456-I472 HydrophobicContact CE2-CD1 4.4Å; I472-V489 HydrophobicContact CG2-CG1 4.05Å; I472-L491 HydrophobicContact CG1-CD2 3.87Å
473	R	93.9	Very high	79.3	Confident	105 Å²	105	57.3 Å²	57.3	40%	0.396	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.7	171.2	-70.1	-164.9	-179.9	175.7	2.3	111.7	D453 E471 V489 E490	D453-R473 WeakPolarHBondContact OD1-CA 3.49Å; E471-R473 HydrophobicContact CG-CG 3.91Å; E471-R473 IonicContact OE1-CZ 3.22Å; E471-R473 IonicContact OE1-NE 3.16Å; E471-R473 PolarHBondContact OE1-NE 2.83Å; E471-R473 IonicContact OE1-NH2 3.28Å; E471-R473 PolarHBondContact OE1-NH2 3.41Å; E471-R473 IonicContact OE2-CZ 3.64Å; E471-R473 IonicContact OE2-NE 3.26Å; E471-R473 PolarHBondContact OE2-NE 3.27Å; E471-R473 IonicContact OE2-NH2 3.13Å; R473-V489 WeakPolarHBondContact O-CA 3.18Å; R473-E490 HydrophobicContact CB-CB 4.35Å; R473-E490 PolarHBondContact N-O 3.24Å; R473-E490 PolarHBondContact O-N 2.84Å
474	L	90.4	Very high	77.4	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	105.2	169.5	-62	-175.6	0	0	0	109.5	Y451 D453 V489 P597 I602	Y451-L474 VanDerWaalsContact C-CD1 3.48Å; Y451-L474 WeakPolarHBondContact O-CD1 3.29Å; D453-L474 PolarHBondContact OD1-N 2.75Å; L474-V489 HydrophobicContact CD2-CG2 4.09Å; L474-P597 HydrophobicContact CD2-CG 3.97Å; L474-I602 HydrophobicContact CD1-CG1 4.41Å
475	L	86	Confident	75.8	Confident	74 Å²	74	61.2 Å²	61.2	39%	0.387	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.5	176.2	-59.5	-178.7	0	0	0	110.1	M487 A488 E490	L475-M487 VanDerWaalsContact O-CA 3.27Å; L475-M487 WeakPolarHBondContact O-CA 3.1Å; L475-A488 PolarHBondContact N-O 3.2Å; L475-A488 PolarHBondContact O-N 3Å; L475-E490 HydrophobicContact CD1-CB 3.76Å; L475-E490 HydrophobicContact CD1-CG 4.29Å; L475-E490 HydrophobicContact CG-CB 4.01Å
476	S	75.3	Confident	74.5	Confident	64 Å²	64	64.5 Å²	64.5	45%	0.448	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.6	165.3	179.3	0	0	0	0	108.3	S480	S476-S480 PolarHBondContact OG-O 3.16Å
477	R	60.2	Low	73.6	Confident	175 Å²	175	65.1 Å²	65.1	66%	0.66	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-64.5	140.5	174.7	-163.7	173.6	174.4	159.3	-3.2	110.6	G479 L486	R477-G479 PolarHBondContact O-N 3.1Å; R477-L486 HydrophobicContact CB-CB 3.68Å; R477-L486 HydrophobicContact CB-CD1 4.45Å; R477-L486 WeakPolarHBondContact CB-O 3.13Å; R477-L486 PolarHBondContact N-O 3.49Å; R477-L486 VanDerWaalsContact N-O 3.15Å
478	E	53.4	Low	73.1	Confident	192 Å²	192	66.6 Å²	66.6	90%	0.897	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	131.6	178.7	-69.4	173.6	167.4	0	0	112.1
479	G	52.4	Low	72.8	Confident	89 Å²	89	67.3 Å²	67.3	92%	0.918	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	-4.5	173.8	0	0	0	0	0	116.5	R477	R477-G479 PolarHBondContact O-N 3.1Å
480	S	45.5	Very low	72.6	Confident	15 Å²	15	68.5 Å²	68.5	11%	0.105	38%	0.378	C	S	.	.			trans	-140.2	82.2	177.5	74.3	0	0	0	0	114.2	S476 S482 S483	S476-S480 PolarHBondContact OG-O 3.16Å; S480-S482 PolarHBondContact O-N 3.47Å; S480-S482 VanDerWaalsContact O-N 3.13Å; S480-S483 PolarHBondContact O-N 3.41Å; S480-S483 WeakPolarHBondContact OG-CB 3.49Å; S480-S483 PolarHBondContact OG-O 3.02Å
481	I	51.8	Low	72.5	Confident	182 Å²	182	68.5 Å²	68.5	93%	0.933	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.9	164.2	-60.2	169.9	0	0	0	110.3
482	S	53.4	Low	72.5	Confident	111 Å²	111	67.8 Å²	67.8	78%	0.776	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-0	-176	59.1	0	0	0	0	116	S480 P484	S480-S482 PolarHBondContact O-N 3.47Å; S480-S482 VanDerWaalsContact O-N 3.13Å; S482-P484 WeakPolarHBondContact O-CD 3.34Å
483	S	52.1	Low	72.6	Confident	41 Å²	41	67.7 Å²	67.7	29%	0.287	38%	0.375	S	S	.	.			trans	-113.8	82.4	178.6	-152.6	0	0	0	0	111.5	S480 H485 L486	S480-S483 PolarHBondContact O-N 3.41Å; S480-S483 WeakPolarHBondContact OG-CB 3.49Å; S480-S483 PolarHBondContact OG-O 3.02Å; S483-H485 PolarHBondContact O-N 3.21Å; S483-L486 PolarHBondContact O-N 3.04Å
484	P	52.3	Low	72.8	Confident	30 Å²	30	64.6 Å²	64.6	20%	0.195	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-62.5	-3.6	177.6	23.9	-35.4	0	0	0	115.3	S482 L486 M487 H599	S482-P484 WeakPolarHBondContact O-CD 3.34Å; P484-L486 PolarHBondContact O-N 3.09Å; P484-L486 VanDerWaalsContact O-N 3.13Å; P484-M487 HydrophobicContact CB-CE 3.53Å; P484-M487 PolarHBondContact O-N 3.38Å; P484-H599 WeakPolarHBondContact CB-ND1 3.38Å; P484-H599 WeakPolarHBondContact CG-CE1 3.47Å; P484-H599 WeakPolarHBondContact CG-ND1 3.35Å
485	H	56.7	Low	73.1	Confident	136 Å²	136	66 Å²	66	63%	0.63	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-66.6	-4.7	171.6	-63.1	-58.4	0	0	0	114.2	S483 H599	S483-H485 PolarHBondContact O-N 3.21Å; H485-H599 AromaticContact CE1-CD2 3.95Å
486	L	64.9	Low	73.5	Confident	74 Å²	74	63.2 Å²	63.2	39%	0.387	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-120.9	32.8	-179.1	-62.5	166	0	0	0	112.3	R477 S483 P484	R477-L486 HydrophobicContact CB-CB 3.68Å; R477-L486 HydrophobicContact CB-CD1 4.45Å; R477-L486 WeakPolarHBondContact CB-O 3.13Å; R477-L486 PolarHBondContact N-O 3.49Å; R477-L486 VanDerWaalsContact N-O 3.15Å; S483-L486 PolarHBondContact O-N 3.04Å; P484-L486 PolarHBondContact O-N 3.09Å; P484-L486 VanDerWaalsContact O-N 3.13Å
487	M	74.1	Confident	74.3	Confident	15 Å²	15	62.6 Å²	62.6	7%	0.074	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.8	170.1	-63.4	-154.1	-155.4	0	0	110.6	L475 P484 I602 R606	L475-M487 VanDerWaalsContact O-CA 3.27Å; L475-M487 WeakPolarHBondContact O-CA 3.1Å; P484-M487 HydrophobicContact CB-CE 3.53Å; P484-M487 PolarHBondContact O-N 3.38Å; M487-I602 HydrophobicContact CB-CD1 4.13Å; M487-I602 HydrophobicContact CE-CD1 4.33Å; M487-I602 HydrophobicContact CE-CG2 3.57Å; M487-I602 HydrophobicContact CG-CD1 4.23Å; M487-I602 HydrophobicContact SD-CD1 3.61Å; M487-I602 HydrophobicContact SD-CG2 3.75Å; M487-R606 VanDerWaalsContact CE-NH1 3.3Å
488	A	85.1	Confident	75.7	Confident	52 Å²	52	56.1 Å²	56.1	43%	0.43	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.3	173.5	0	0	0	0	0	109.5	L475	L475-A488 PolarHBondContact N-O 3.2Å; L475-A488 PolarHBondContact O-N 3Å
489	V	91.3	Very high	77.4	Confident	14 Å²	14	47 Å²	47	9%	0.085	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.9	171.3	-174.4	0	0	0	0	108.8	L450 I472 R473 L474 L491 F560 P597	L450-V489 HydrophobicContact CB-CG1 4.37Å; L450-V489 HydrophobicContact CB-CG2 3.99Å; L450-V489 HydrophobicContact CD1-CG1 4.16Å; I472-V489 HydrophobicContact CG2-CG1 4.05Å; R473-V489 WeakPolarHBondContact O-CA 3.18Å; L474-V489 HydrophobicContact CD2-CG2 4.09Å; V489-L491 HydrophobicContact CG1-CD2 3.86Å; V489-L491 HydrophobicContact CG1-CG 4.29Å; V489-F560 HydrophobicContact CB-CD1 3.66Å; V489-F560 HydrophobicContact CB-CE1 3.84Å; V489-F560 HydrophobicContact CB-CG 4.15Å; V489-F560 HydrophobicContact CG1-CD1 4.46Å; V489-F560 HydrophobicContact CG2-CD1 4.16Å; V489-F560 HydrophobicContact CG2-CE1 3.82Å; V489-F560 HydrophobicContact CG2-CZ 4.4Å; V489-P597 HydrophobicContact CG2-CG 3.37Å
490	E	93.8	Very high	78.9	Confident	37 Å²	37	45.6 Å²	45.6	17%	0.173	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.6	167.5	-175.3	-179.4	75.1	0	0	108.6	R473 L475 R555 V557	R473-E490 HydrophobicContact CB-CB 4.35Å; R473-E490 PolarHBondContact N-O 3.24Å; R473-E490 PolarHBondContact O-N 2.84Å; L475-E490 HydrophobicContact CD1-CB 3.76Å; L475-E490 HydrophobicContact CD1-CG 4.29Å; L475-E490 HydrophobicContact CG-CB 4.01Å; E490-R555 IonicContact OE1-CZ 2.7Å; E490-R555 IonicContact OE1-NH1 3.87Å; E490-R555 PolarHBondContact OE1-NH1 3.04Å; E490-R555 IonicContact OE1-NH2 3.85Å; E490-R555 PolarHBondContact OE1-NH2 3.36Å; E490-R555 IonicContact OE2-NH1 3.72Å; E490-V557 HydrophobicContact CG-CG1 3.76Å; E490-V557 HydrophobicContact CG-CG2 4.3Å
491	L	96.7	Very high	80.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.1	171.5	-59.3	-179.5	0	0	0	108.7	E471 I472 V489 V557 V558 F560 L569 M570	E471-L491 CarbonylContact O-C 3.55Å; E471-L491 WeakPolarHBondContact O-CA 2.98Å; I472-L491 HydrophobicContact CG1-CD2 3.87Å; V489-L491 HydrophobicContact CG1-CD2 3.86Å; V489-L491 HydrophobicContact CG1-CG 4.29Å; L491-V557 WeakPolarHBondContact O-CA 3.48Å; L491-V558 HydrophobicContact CB-CB 4.38Å; L491-V558 PolarHBondContact O-N 3.35Å; L491-F560 HydrophobicContact CD1-CB 4.36Å; L491-F560 HydrophobicContact CD1-CD2 3.83Å; L491-F560 HydrophobicContact CD1-CG 4.48Å; L491-F560 HydrophobicContact CG-CB 4.4Å; L491-F560 HydrophobicContact CG-CD2 4.38Å; L491-L569 HydrophobicContact CD1-CB 4.03Å; L491-L569 HydrophobicContact CD1-CD1 4.15Å; L491-M570 HydrophobicContact CB-CE 3.83Å; L491-M570 HydrophobicContact CD1-CE 4.17Å; L491-M570 HydrophobicContact CG-CE 4.46Å
492	S	97.6	Very high	82.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.5	178	-68.5	0	0	0	0	112.1	F470 E471 R555 L556	F470-S492 WeakPolarHBondContact CA-O 3.05Å; E471-S492 PolarHBondContact N-O 2.81Å; E471-S492 PolarHBondContact O-N 3.08Å; S492-R555 PolarHBondContact OG-NE 3.26Å; S492-R555 PolarHBondContact OG-NH2 2.77Å; S492-L556 CarbonylContact C-O 3.17Å; S492-L556 WeakPolarHBondContact CA-O 3.4Å
493	V	98	Very high	83.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	144.2	178.7	72	0	0	0	0	111.1	A468 N469 F470 V539 V551 L556 V558 M570 L572	A468-V493 HydrophobicContact CB-CG2 4.26Å; N469-V493 WeakPolarHBondContact O-CA 3.43Å; N469-V493 WeakPolarHBondContact O-CG2 3.4Å; F470-V493 HydrophobicContact CD1-CG2 3.94Å; F470-V493 HydrophobicContact CE1-CG2 3.88Å; F470-V493 HydrophobicContact CG-CG2 4.35Å; F470-V493 HydrophobicContact CZ-CG2 4.21Å; V493-V539 HydrophobicContact CG1-CB 4.19Å; V493-V539 HydrophobicContact CG1-CG1 4Å; V493-V539 HydrophobicContact CG1-CG2 4.08Å; V493-V551 HydrophobicContact CG1-CG1 4.39Å; V493-V551 HydrophobicContact CG1-CG2 4.2Å; V493-L556 PolarHBondContact N-O 2.55Å; V493-L556 WeakPolarHBondContact O-CB 3.46Å; V493-L556 PolarHBondContact O-N 2.89Å; V493-V558 HydrophobicContact CG1-CG2 3.8Å; V493-M570 HydrophobicContact CB-SD 4.35Å; V493-L572 HydrophobicContact CG2-CD2 3.7Å
494	W	97.9	Very high	84.3	Confident	40 Å²	40	40.2 Å²	40.2	15%	0.152	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	157.8	173.8	60.2	106.2	0	0	0	111.1	L455 A468 N469 E471 S496 T554 R555	L455-W494 HydrophobicContact CD1-CH2 3.55Å; L455-W494 HydrophobicContact CD1-CZ2 3.89Å; A468-W494 CarbonylContact C-O 3.54Å; A468-W494 WeakPolarHBondContact CA-O 3.39Å; A468-W494 WeakPolarHBondContact CB-O 3.43Å; N469-W494 HydrophobicContact CB-CD2 3.93Å; N469-W494 HydrophobicContact CB-CE3 4.44Å; N469-W494 HydrophobicContact CB-CG 4.41Å; N469-W494 HydrophobicContact CB-CH2 4.23Å; N469-W494 HydrophobicContact CB-CZ2 3.69Å; N469-W494 PolarHBondContact N-O 2.57Å; N469-W494 PolarHBondContact ND2-NE1 3.31Å; N469-W494 PolarHBondContact O-N 3.08Å; N469-W494 VanDerWaalsContact O-N 3.16Å; E471-W494 HydrophobicContact CB-CH2 3.78Å; E471-W494 HydrophobicContact CB-CZ3 3.66Å; E471-W494 HydrophobicContact CG-CH2 4.43Å; W494-S496 PolarHBondContact O-N 3.48Å; W494-T554 WeakPolarHBondContact CB-O 3.44Å; W494-R555 HydrophobicContact CE3-CB 4.28Å; W494-R555 HydrophobicContact CE3-CG 3.89Å; W494-R555 HydrophobicContact CZ3-CG 4.04Å
495	R	96.3	Very high	84.5	Confident	43 Å²	43	43.6 Å²	43.6	16%	0.162	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.5	174.6	-59.4	-165.9	96.5	128.5	-2.5	109.8	I535 L537 V551 K552 T553	R495-I535 PolarHBondContact NH1-O 2.98Å; R495-I535 PolarHBondContact NH2-O 3.1Å; R495-L537 HydrophobicContact CG-CD2 4.18Å; R495-V551 WeakPolarHBondContact CD-O 3.32Å; R495-V551 HydrophobicContact CG-CG1 4.07Å; R495-K552 PolarHBondContact N-O 2.88Å; R495-T553 HydrophobicContact CB-CG2 4.43Å
496	S	94.9	Very high	84.3	Confident	17 Å²	17	38.4 Å²	38.4	12%	0.119	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.9	141.8	177.1	-155.9	0	0	0	0	110	R458 Y467 N469 W494	R458-S496 PolarHBondContact NH1-OG 3.02Å; Y467-S496 PolarHBondContact O-N 3.33Å; N469-S496 PolarHBondContact OD1-OG 3.47Å; W494-S496 PolarHBondContact O-N 3.48Å
497	P	92.5	Very high	83.6	Confident	51 Å²	51	38.9 Å²	38.9	33%	0.331	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-55.7	147.5	169.4	-22.7	33.1	0	0	0	111	R458 T501 L502	R458-P497 PolarHBondContact NH1-O 3.4Å; P497-T501 HydrophobicContact CB-CG2 4.47Å; P497-L502 HydrophobicContact CB-CD2 4.05Å; P497-L502 HydrophobicContact CB-CG 4.21Å; P497-L502 HydrophobicContact CG-CD2 4.26Å
498	S	89.2	Confident	82.1	Confident	38 Å²	38	41.8 Å²	41.8	27%	0.266	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-59	150.3	179.2	66.2	0	0	0	0	111.5	T500 T501 L502	S498-T500 PolarHBondContact O-N 3.39Å; S498-T501 WeakPolarHBondContact O-CA 3.18Å; S498-T501 WeakPolarHBondContact O-CB 3.27Å; S498-T501 PolarHBondContact O-N 2.89Å; S498-T501 PolarHBondContact OG-N 3.44Å; S498-T501 PolarHBondContact OG-OG1 2.76Å; S498-L502 PolarHBondContact O-N 3.41Å; S498-L502 VanDerWaalsContact O-N 3.1Å
499	L	87.9	Confident	79.8	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-38	179.8	-164.9	58	0	0	0	112.3	L317 T320 R458 T501 L502 L503 F525 I526 E529	L317-L499 HydrophobicContact CD1-CD1 3.72Å; L317-L499 HydrophobicContact CD1-CD2 3.65Å; L317-L499 HydrophobicContact CD1-CG 4.24Å; T320-L499 HydrophobicContact CG2-CD1 3.89Å; R458-L499 VanDerWaalsContact NH2-CA 3.28Å; L499-T501 PolarHBondContact O-N 2.88Å; L499-L502 PolarHBondContact O-N 3.4Å; L499-L503 HydrophobicContact CD1-CD1 3.83Å; L499-L503 HydrophobicContact CD1-CG 3.89Å; L499-L503 HydrophobicContact CD2-CD1 4.14Å; L499-L503 HydrophobicContact CG-CD1 3.64Å; L499-L503 HydrophobicContact CG-CG 4.02Å; L499-L503 WeakPolarHBondContact O-CB 3.4Å; L499-L503 WeakPolarHBondContact O-CG 3.21Å; L499-L503 PolarHBondContact O-N 2.87Å; L499-F525 HydrophobicContact CD2-CB 3.59Å; L499-I526 HydrophobicContact CB-CG1 4.04Å; L499-I526 HydrophobicContact CD2-CG1 3.99Å; L499-I526 HydrophobicContact CG-CG1 4.3Å; L499-E529 PolarHBondContact N-OE2 3.02Å
500	T	84.2	Confident	77.3	Confident	58 Å²	58	51.5 Å²	51.5	36%	0.356	30%	0.301	S	S	.	.	H	α-helix	trans	-57.4	-38.6	174.9	-48.8	0	0	0	0	112.1	S498 S504 L507	S498-T500 PolarHBondContact O-N 3.39Å; T500-S504 PolarHBondContact O-N 3.48Å; T500-L507 HydrophobicContact CG2-CD1 4Å; T500-L507 WeakPolarHBondContact O-CD1 3.49Å
501	T	84.9	Confident	74.6	Confident	82 Å²	82	57.5 Å²	57.5	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-70	-45.3	177.4	-54.9	0	0	0	0	110.8	P497 S498 L499 L503 S504	P497-T501 HydrophobicContact CB-CG2 4.47Å; S498-T501 WeakPolarHBondContact O-CA 3.18Å; S498-T501 WeakPolarHBondContact O-CB 3.27Å; S498-T501 PolarHBondContact O-N 2.89Å; S498-T501 PolarHBondContact OG-N 3.44Å; S498-T501 PolarHBondContact OG-OG1 2.76Å; L499-T501 PolarHBondContact O-N 2.88Å; T501-L503 VanDerWaalsContact C-N 3.35Å; T501-L503 PolarHBondContact O-N 2.88Å; T501-S504 WeakPolarHBondContact O-CB 3.45Å; T501-S504 PolarHBondContact O-N 3.13Å; T501-S504 PolarHBondContact O-OG 2.83Å
502	L	83	Confident	71.7	Confident	70 Å²	70	68.5 Å²	68.5	37%	0.366	38%	0.376	S	S	.	.	H	α-helix	trans	-67.2	-34.3	-179.6	-66.5	-179	0	0	0	113.2	P497 S498 L499	P497-L502 HydrophobicContact CB-CD2 4.05Å; P497-L502 HydrophobicContact CB-CG 4.21Å; P497-L502 HydrophobicContact CG-CD2 4.26Å; S498-L502 PolarHBondContact O-N 3.41Å; S498-L502 VanDerWaalsContact O-N 3.1Å; L499-L502 PolarHBondContact O-N 3.4Å
503	L	80.2	Confident	68.8	Low	11 Å²	11	70.4 Å²	70.4	6%	0.058	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	5.9	-178.7	-62.8	-174.4	0	0	0	113.2	L317 T320 L499 T501 S505 S506 L507 K522	L317-L503 HydrophobicContact CD1-CD1 4.33Å; T320-L503 HydrophobicContact CG2-CD2 4.01Å; L499-L503 HydrophobicContact CD1-CD1 3.83Å; L499-L503 HydrophobicContact CD1-CG 3.89Å; L499-L503 HydrophobicContact CD2-CD1 4.14Å; L499-L503 HydrophobicContact CG-CD1 3.64Å; L499-L503 HydrophobicContact CG-CG 4.02Å; L499-L503 WeakPolarHBondContact O-CB 3.4Å; L499-L503 WeakPolarHBondContact O-CG 3.21Å; L499-L503 PolarHBondContact O-N 2.87Å; T501-L503 VanDerWaalsContact C-N 3.35Å; T501-L503 PolarHBondContact O-N 2.88Å; L503-S505 PolarHBondContact O-N 3.27Å; L503-S505 VanDerWaalsContact O-N 3.16Å; L503-S506 WeakPolarHBondContact O-CA 3.34Å; L503-S506 WeakPolarHBondContact O-CB 3.28Å; L503-S506 PolarHBondContact O-N 3.44Å; L503-S506 PolarHBondContact O-OG 3.27Å; L503-L507 HydrophobicContact CB-CD1 4.29Å; L503-L507 PolarHBondContact O-N 3.13Å; L503-L507 VanDerWaalsContact O-N 3.09Å; L503-K522 HydrophobicContact CD1-CD 4.18Å; L503-K522 HydrophobicContact CD1-CG 4.31Å
504	S	68	Low	65.9	Low	73 Å²	73	77.9 Å²	77.9	51%	0.51	44%	0.435	S	S	.	.	H	α-helix	trans	-55.6	-32.9	-176.2	56	0	0	0	0	113.9	T500 T501 S506 L507	T500-S504 PolarHBondContact O-N 3.48Å; T501-S504 WeakPolarHBondContact O-CB 3.45Å; T501-S504 PolarHBondContact O-N 3.13Å; T501-S504 PolarHBondContact O-OG 2.83Å; S504-S506 VanDerWaalsContact C-N 3.29Å; S504-S506 PolarHBondContact O-N 2.76Å; S504-L507 PolarHBondContact O-N 3.24Å
505	S	57.1	Low	63.3	Low	101 Å²	101	78.6 Å²	78.6	71%	0.706	44%	0.442	S	S	*	.	H	α-helix	trans	-63.6	-32.8	172.5	59.2	0	0	0	0	112.9	L503 S508	L503-S505 PolarHBondContact O-N 3.27Å; L503-S505 VanDerWaalsContact O-N 3.16Å; S505-S508 PolarHBondContact O-OG 2.89Å
506	S	53.7	Low	61.3	Low	27 Å²	27	81.5 Å²	81.5	19%	0.189	46%	0.461	C	S	.	.	H	α-helix	trans	-84.7	-17.4	176.4	76.9	0	0	0	0	114	L503 S504 K522	L503-S506 WeakPolarHBondContact O-CA 3.34Å; L503-S506 WeakPolarHBondContact O-CB 3.28Å; L503-S506 PolarHBondContact O-N 3.44Å; L503-S506 PolarHBondContact O-OG 3.27Å; S504-S506 VanDerWaalsContact C-N 3.29Å; S504-S506 PolarHBondContact O-N 2.76Å; S506-K522 PolarHBondContact OG-NZ 3.28Å
507	L	48.5	Very low	59.1	Low	84 Å²	84	86.7 Å²	86.7	44%	0.44	48%	0.479	S	S	.	.	H	α-helix	trans	-84.2	-9.6	-177.9	-78.3	156.7	0	0	0	113.3	T500 L503 S504 N509	T500-L507 HydrophobicContact CG2-CD1 4Å; T500-L507 WeakPolarHBondContact O-CD1 3.49Å; L503-L507 HydrophobicContact CB-CD1 4.29Å; L503-L507 PolarHBondContact O-N 3.13Å; L503-L507 VanDerWaalsContact O-N 3.09Å; S504-L507 PolarHBondContact O-N 3.24Å; L507-N509 PolarHBondContact O-N 2.95Å
508	S	42.4	Very low	56.9	Low	76 Å²	76	86 Å²	86	53%	0.531	47%	0.472	S	S	.	.	S	Bend	trans	-68.6	118.9	177.8	64.7	0	0	0	0	111.5	S505	S505-S508 PolarHBondContact O-OG 2.89Å
509	N	38.6	Very low	55.3	Low	144 Å²	144	89.7 Å²	89.7	77%	0.77	49%	0.488	S	S	*	.	S	Bend	trans	57.1	81.2	164.8	-61.5	-13.6	0	0	0	117.4	L507	L507-N509 PolarHBondContact O-N 2.95Å
510	N	37.5	Very low	54.2	Low	126 Å²	126	92 Å²	92	67%	0.674	50%	0.499	S	S	*	.			trans	-169.3	70.5	137.5	-90.8	-13	0	0	0	109.4	Y512	N510-Y512 VanDerWaalsContact C-N 3.26Å
511	I	38	Very low	53.1	Low	164 Å²	164	89.4 Å²	89.4	84%	0.841	48%	0.483	S	S	*	.			trans	-83.7	-6	167.8	-65.4	174.4	0	0	0	110.7	G513	I511-G513 PolarHBondContact O-N 3.39Å
512	Y	35.3	Very low	52.4	Low	232 Å²	232	86.4 Å²	86.4	91%	0.91	46%	0.463	S	S	*	.	S	Bend	trans	-98.2	74.3	172.8	-76.3	-82.5	0	0	0	111	N510	N510-Y512 VanDerWaalsContact C-N 3.26Å
513	G	36.3	Very low	52	Low	39 Å²	39	85.8 Å²	85.8	40%	0.402	47%	0.465	S	S	.	.	S	Bend	trans	-172.5	122.7	170.9	0	0	0	0	0	108.9	I511 N515	I511-G513 PolarHBondContact O-N 3.39Å; G513-N515 PolarHBondContact O-N 3.37Å
514	N	37.3	Very low	52.2	Low	158 Å²	158	85.7 Å²	85.7	85%	0.845	46%	0.464	S	S	*	.			trans	-71.9	52.9	179.9	-140.1	18.6	0	0	0	110.3	N516	N514-N516 PolarHBondContact O-N 3.26Å
515	N	43.5	Very low	53.1	Low	54 Å²	54	82.8 Å²	82.8	29%	0.289	44%	0.442	S	S	.	.			trans	-91.9	92.4	-171.8	-78.1	1.7	0	0	0	110.2	G513	G513-N515 PolarHBondContact O-N 3.37Å
516	N	54.2	Low	54.5	Low	105 Å²	105	79.6 Å²	79.6	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-61.7	-50.1	-176.9	-72.5	-7.1	0	0	0	112.9	N514 E520	N514-N516 PolarHBondContact O-N 3.26Å; N516-E520 WeakPolarHBondContact O-CG 3.31Å; N516-E520 PolarHBondContact O-N 2.82Å
517	Y	47.9	Very low	56.1	Low	125 Å²	125	83 Å²	83	49%	0.49	43%	0.428	S	S	.	.	H	α-helix	trans	-74.8	-40.5	-169.6	-73.7	-73.6	0	0	0	116.4	R142 L356 L519 E520	R142-Y517 PolarHBondContact NH1-O 2.76Å; L356-Y517 HydrophobicContact CD1-CD1 3.92Å; Y517-L519 VanDerWaalsContact C-N 3.32Å; Y517-L519 PolarHBondContact O-N 3.45Å; Y517-E520 VanDerWaalsContact CD1-OE2 3.31Å; Y517-E520 WeakPolarHBondContact CD1-OE2 3.48Å; Y517-E520 WeakPolarHBondContact O-CB 3.34Å; Y517-E520 PolarHBondContact O-N 3.39Å; Y517-E520 VanDerWaalsContact O-N 3.13Å
518	I	47.3	Very low	58	Low	38 Å²	38	79.1 Å²	79.1	20%	0.195	41%	0.408	C	S	.	.	H	α-helix	trans	-58.5	-47.6	-179.3	-64.4	176	0	0	0	110.7	R142 E310 E520	R142-I518 VanDerWaalsContact NH1-CA 3.28Å; R142-I518 PolarHBondContact NH2-O 2.87Å; E310-I518 HydrophobicContact CB-CD1 3.92Å; E310-I518 HydrophobicContact CB-CG1 4.02Å; E310-I518 VanDerWaalsContact CD-CG1 3.4Å; E310-I518 HydrophobicContact CG-CD1 4.24Å; E310-I518 HydrophobicContact CG-CG1 3.76Å; I518-E520 VanDerWaalsContact C-N 3.29Å; I518-E520 PolarHBondContact O-N 3.22Å
519	L	55.4	Low	60.3	Low	115 Å²	115	76.3 Å²	76.3	60%	0.602	39%	0.386	S	S	*	.	H	α-helix	trans	-64.1	-35.3	178.2	-76.1	165.1	0	0	0	110.8	Y517 S523	Y517-L519 VanDerWaalsContact C-N 3.32Å; Y517-L519 PolarHBondContact O-N 3.45Å; L519-S523 WeakPolarHBondContact O-CA 3.42Å; L519-S523 WeakPolarHBondContact O-CB 3.04Å; L519-S523 PolarHBondContact O-N 3.1Å; L519-S523 PolarHBondContact O-OG 3.3Å
520	E	64.7	Low	62.8	Low	51 Å²	51	72.9 Å²	72.9	24%	0.238	37%	0.368	C	S	.	.	H	α-helix	trans	-64.7	-49.9	-173.8	-81.3	162.2	-158.1	0	0	115.9	L356 N516 Y517 I518 S523 F524	L356-E520 HydrophobicContact CB-CB 4.05Å; L356-E520 HydrophobicContact CD1-CB 4.05Å; L356-E520 HydrophobicContact CD2-CB 4.3Å; L356-E520 HydrophobicContact CG-CB 4.35Å; N516-E520 WeakPolarHBondContact O-CG 3.31Å; N516-E520 PolarHBondContact O-N 2.82Å; Y517-E520 VanDerWaalsContact CD1-OE2 3.31Å; Y517-E520 WeakPolarHBondContact CD1-OE2 3.48Å; Y517-E520 WeakPolarHBondContact O-CB 3.34Å; Y517-E520 PolarHBondContact O-N 3.39Å; Y517-E520 VanDerWaalsContact O-N 3.13Å; I518-E520 VanDerWaalsContact C-N 3.29Å; I518-E520 PolarHBondContact O-N 3.22Å; E520-S523 VanDerWaalsContact CA-OG 3.26Å; E520-S523 WeakPolarHBondContact CA-OG 3.23Å; E520-S523 CarbonylContact O-C 3.56Å; E520-S523 PolarHBondContact O-N 3.2Å; E520-S523 PolarHBondContact O-OG 2.94Å; E520-F524 VanDerWaalsContact O-CB 3.29Å; E520-F524 WeakPolarHBondContact O-CB 3.45Å; E520-F524 PolarHBondContact O-N 2.69Å
521	A	61.1	Low	65.2	Low	3 Å²	3	70 Å²	70	3%	0.025	35%	0.352	C	S	.	.	H	α-helix	trans	-72.5	-40.3	-178.1	0	0	0	0	0	112.1	L356 S523 F524 F525	L356-A521 VanDerWaalsContact CD2-CA 3.48Å; L356-A521 HydrophobicContact CD2-CB 3.6Å; A521-S523 VanDerWaalsContact C-N 3.31Å; A521-F524 WeakPolarHBondContact O-CB 3.45Å; A521-F524 PolarHBondContact O-N 2.87Å; A521-F525 WeakPolarHBondContact O-CD2 3.37Å; A521-F525 PolarHBondContact O-N 3.34Å
522	K	70.2	Confident	67.8	Low	18 Å²	18	62.4 Å²	62.4	8%	0.078	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-44.1	172.2	-71.7	-174.2	-175.4	-179.8	0	109.3	D313 L503 S506 F524 F525 I526	D313-K522 IonicContact OD1-NZ 3.39Å; D313-K522 IonicContact OD2-NZ 3.52Å; D313-K522 PolarHBondContact OD2-NZ 3.41Å; L503-K522 HydrophobicContact CD1-CD 4.18Å; L503-K522 HydrophobicContact CD1-CG 4.31Å; S506-K522 PolarHBondContact OG-NZ 3.28Å; K522-F524 VanDerWaalsContact C-N 3.33Å; K522-F524 PolarHBondContact O-N 3.29Å; K522-F525 PolarHBondContact O-N 3.08Å; K522-I526 HydrophobicContact CB-CD1 4.39Å; K522-I526 VanDerWaalsContact O-CB 3.26Å; K522-I526 WeakPolarHBondContact O-CB 3.47Å; K522-I526 WeakPolarHBondContact O-CD1 3.22Å; K522-I526 WeakPolarHBondContact O-CG1 3.34Å; K522-I526 PolarHBondContact O-N 3.46Å
523	S	75.9	Confident	70.3	Confident	58 Å²	58	56.4 Å²	56.4	41%	0.406	30%	0.297	S	S	.	.	H	α-helix	trans	-66.9	-33.3	177.9	73.4	0	0	0	0	112.1	L519 E520 A521 I526 K527	L519-S523 WeakPolarHBondContact O-CA 3.42Å; L519-S523 WeakPolarHBondContact O-CB 3.04Å; L519-S523 PolarHBondContact O-N 3.1Å; L519-S523 PolarHBondContact O-OG 3.3Å; E520-S523 VanDerWaalsContact CA-OG 3.26Å; E520-S523 WeakPolarHBondContact CA-OG 3.23Å; E520-S523 CarbonylContact O-C 3.56Å; E520-S523 PolarHBondContact O-N 3.2Å; E520-S523 PolarHBondContact O-OG 2.94Å; A521-S523 VanDerWaalsContact C-N 3.31Å; S523-I526 PolarHBondContact O-N 3.26Å; S523-K527 WeakPolarHBondContact O-CA 3.41Å; S523-K527 WeakPolarHBondContact O-CB 3.42Å; S523-K527 PolarHBondContact O-N 3.16Å
524	F	84.3	Confident	72.9	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.035	32%	0.319	C	S	.	.	H	α-helix	trans	-57.6	-56.4	174.3	174.1	-86.9	0	0	0	110.7	L354 I361 Y364 E520 A521 K522 K527 L528	L354-F524 HydrophobicContact CD2-CE1 4.12Å; I361-F524 HydrophobicContact CB-CE2 4.24Å; I361-F524 HydrophobicContact CD1-CD2 4.28Å; I361-F524 HydrophobicContact CG1-CD2 3.46Å; I361-F524 VanDerWaalsContact CG1-CD2 3.46Å; I361-F524 HydrophobicContact CG1-CE2 3.5Å; I361-F524 VanDerWaalsContact CG1-CE2 3.5Å; I361-F524 HydrophobicContact CG1-CG 4.44Å; I361-F524 HydrophobicContact CG1-CZ 4.48Å; Y364-F524 HydrophobicContact CD1-CZ 4.22Å; Y364-F524 HydrophobicContact CD2-CE1 4.5Å; Y364-F524 HydrophobicContact CD2-CZ 4.01Å; Y364-F524 HydrophobicContact CG-CE1 4.47Å; Y364-F524 AromaticContact CG-CZ 3.75Å; Y364-F524 HydrophobicContact CG-CZ 3.75Å; E520-F524 VanDerWaalsContact O-CB 3.29Å; E520-F524 WeakPolarHBondContact O-CB 3.45Å; E520-F524 PolarHBondContact O-N 2.69Å; A521-F524 WeakPolarHBondContact O-CB 3.45Å; A521-F524 PolarHBondContact O-N 2.87Å; K522-F524 VanDerWaalsContact C-N 3.33Å; K522-F524 PolarHBondContact O-N 3.29Å; F524-K527 PolarHBondContact O-N 2.96Å; F524-L528 HydrophobicContact CE1-CD2 4.41Å; F524-L528 WeakPolarHBondContact O-CB 3.42Å; F524-L528 PolarHBondContact O-N 2.89Å
525	F	86.2	Confident	75.6	Confident	13 Å²	13	57.2 Å²	57.2	6%	0.057	29%	0.292	C	S	.	.	H	α-helix	trans	-70.2	-37.1	-179.7	-71.7	-67.9	0	0	0	112.7	L317 L354 Y421 L499 A521 K522 K527 L528 E529	L317-F525 HydrophobicContact CD1-CD2 4.43Å; L317-F525 HydrophobicContact CD2-CD2 3.89Å; L317-F525 HydrophobicContact CD2-CE2 4.09Å; L354-F525 HydrophobicContact CD1-CD2 4.39Å; L354-F525 HydrophobicContact CD1-CE2 3.33Å; L354-F525 HydrophobicContact CD1-CZ 3.57Å; L354-F525 HydrophobicContact CD2-CZ 4.11Å; L354-F525 HydrophobicContact CG-CZ 4.44Å; Y421-F525 HydrophobicContact CD1-CE2 4.15Å; Y421-F525 AromaticContact CD1-CZ 3.97Å; Y421-F525 HydrophobicContact CD1-CZ 3.97Å; Y421-F525 HydrophobicContact CD2-CE2 4.15Å; Y421-F525 AromaticContact CD2-CZ 3.84Å; Y421-F525 HydrophobicContact CD2-CZ 3.84Å; Y421-F525 HydrophobicContact CE1-CE2 4.01Å; Y421-F525 HydrophobicContact CE1-CZ 4.3Å; Y421-F525 HydrophobicContact CE2-CE2 4.02Å; Y421-F525 HydrophobicContact CE2-CZ 4.18Å; Y421-F525 HydrophobicContact CG-CE2 4.22Å; Y421-F525 AromaticContact CG-CZ 3.72Å; Y421-F525 HydrophobicContact CG-CZ 3.72Å; Y421-F525 AromaticContact CZ-CE2 3.93Å; L499-F525 HydrophobicContact CD2-CB 3.59Å; A521-F525 WeakPolarHBondContact O-CD2 3.37Å; A521-F525 PolarHBondContact O-N 3.34Å; K522-F525 PolarHBondContact O-N 3.08Å; F525-K527 VanDerWaalsContact C-N 3.3Å; F525-K527 PolarHBondContact O-N 2.87Å; F525-L528 HydrophobicContact CD1-CD2 4.38Å; F525-L528 PolarHBondContact O-N 3.49Å; F525-E529 PolarHBondContact O-N 3.09Å
526	I	86.8	Confident	78	Confident	33 Å²	33	57 Å²	57	17%	0.169	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-45	173	-72.5	165.4	0	0	0	110	L499 K522 S523 E529 N530	L499-I526 HydrophobicContact CB-CG1 4.04Å; L499-I526 HydrophobicContact CD2-CG1 3.99Å; L499-I526 HydrophobicContact CG-CG1 4.3Å; K522-I526 HydrophobicContact CB-CD1 4.39Å; K522-I526 VanDerWaalsContact O-CB 3.26Å; K522-I526 WeakPolarHBondContact O-CB 3.47Å; K522-I526 WeakPolarHBondContact O-CD1 3.22Å; K522-I526 WeakPolarHBondContact O-CG1 3.34Å; K522-I526 PolarHBondContact O-N 3.46Å; S523-I526 PolarHBondContact O-N 3.26Å; I526-E529 PolarHBondContact O-N 3.43Å; I526-N530 WeakPolarHBondContact CG2-ND2 3.1Å; I526-N530 VanDerWaalsContact O-CB 3.27Å; I526-N530 WeakPolarHBondContact O-CB 3.08Å; I526-N530 PolarHBondContact O-N 3.31Å; I526-N530 PolarHBondContact O-ND2 2.83Å
527	K	86.6	Confident	80	Confident	100 Å²	100	52 Å²	52	44%	0.435	27%	0.267	S	S	.	.	H	α-helix	trans	-66.7	-42.7	179.2	-178.8	55.8	174.9	154.1	0	111.1	I361 S523 F524 F525 E529 N530 D531	I361-K527 HydrophobicContact CD1-CB 4.02Å; I361-K527 HydrophobicContact CD1-CG 3.62Å; S523-K527 WeakPolarHBondContact O-CA 3.41Å; S523-K527 WeakPolarHBondContact O-CB 3.42Å; S523-K527 PolarHBondContact O-N 3.16Å; F524-K527 PolarHBondContact O-N 2.96Å; F525-K527 VanDerWaalsContact C-N 3.3Å; F525-K527 PolarHBondContact O-N 2.87Å; K527-E529 VanDerWaalsContact C-N 3.34Å; K527-E529 PolarHBondContact O-N 3.2Å; K527-N530 PolarHBondContact O-N 2.82Å; K527-D531 VanDerWaalsContact CE-OD1 3.25Å; K527-D531 WeakPolarHBondContact CE-OD1 3.38Å; K527-D531 IonicContact NZ-OD1 3.99Å; K527-D531 PolarHBondContact NZ-OD1 2.95Å; K527-D531 WeakPolarHBondContact O-CB 3.24Å; K527-D531 VanDerWaalsContact O-CG 3.24Å; K527-D531 PolarHBondContact O-N 2.78Å
528	L	89.2	Confident	82.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-44.8	175.8	-170.7	69.5	0	0	0	111.8	I361 Y364 K365 P464 F524 F525 A532	I361-L528 HydrophobicContact CG2-CD1 4.4Å; Y364-L528 HydrophobicContact CD1-CD1 4.11Å; Y364-L528 HydrophobicContact CD1-CD2 4.04Å; Y364-L528 HydrophobicContact CE1-CD1 4.39Å; Y364-L528 HydrophobicContact CE1-CD2 3.61Å; K365-L528 HydrophobicContact CG-CD1 4.08Å; P464-L528 HydrophobicContact CB-CD1 4.09Å; F524-L528 HydrophobicContact CE1-CD2 4.41Å; F524-L528 WeakPolarHBondContact O-CB 3.42Å; F524-L528 PolarHBondContact O-N 2.89Å; F525-L528 HydrophobicContact CD1-CD2 4.38Å; F525-L528 PolarHBondContact O-N 3.49Å; L528-A532 PolarHBondContact O-N 3.3Å
529	E	90.9	Very high	84.7	Confident	17 Å²	17	46.8 Å²	46.8	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-41.4	175.2	-81.4	171.2	-135.8	0	0	112.6	R458 Y467 L499 F525 I526 K527 D531 A532 L533	R458-E529 IonicContact CZ-OE1 2.64Å; R458-E529 IonicContact CZ-OE2 3.93Å; R458-E529 IonicContact NE-OE1 2.83Å; R458-E529 IonicContact NH2-OE1 2.8Å; R458-E529 PolarHBondContact NH2-OE1 3.11Å; R458-E529 IonicContact NH2-OE2 3.71Å; R458-E529 PolarHBondContact NH2-OE2 2.9Å; Y467-E529 HydrophobicContact CD2-CG 3.92Å; Y467-E529 HydrophobicContact CE2-CG 3.77Å; L499-E529 PolarHBondContact N-OE2 3.02Å; F525-E529 PolarHBondContact O-N 3.09Å; I526-E529 PolarHBondContact O-N 3.43Å; K527-E529 VanDerWaalsContact C-N 3.34Å; K527-E529 PolarHBondContact O-N 3.2Å; E529-D531 VanDerWaalsContact C-N 3.3Å; E529-D531 PolarHBondContact O-N 2.87Å; E529-A532 CarbonylContact O-C 3.58Å; E529-A532 WeakPolarHBondContact O-CA 3.39Å; E529-A532 WeakPolarHBondContact O-CB 3.48Å; E529-A532 PolarHBondContact O-N 3.08Å; E529-L533 PolarHBondContact O-N 2.84Å
530	N	89.7	Confident	86.6	Confident	73 Å²	73	41.3 Å²	41.3	39%	0.39	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-41.4	177.8	-75	-19	0	0	0	111.7	I526 K527 A532 L533	I526-N530 WeakPolarHBondContact CG2-ND2 3.1Å; I526-N530 VanDerWaalsContact O-CB 3.27Å; I526-N530 WeakPolarHBondContact O-CB 3.08Å; I526-N530 PolarHBondContact O-N 3.31Å; I526-N530 PolarHBondContact O-ND2 2.83Å; K527-N530 PolarHBondContact O-N 2.82Å; N530-A532 PolarHBondContact O-N 2.82Å; N530-L533 HydrophobicContact CB-CD1 4.3Å; N530-L533 WeakPolarHBondContact O-CB 2.92Å; N530-L533 PolarHBondContact O-N 2.96Å
531	D	89.4	Confident	88.1	Confident	65 Å²	65	39.1 Å²	39.1	35%	0.348	21%	0.207	S	C	.	.	H	α-helix	trans	-64	-25.4	174.5	-70.1	-5.2	0	0	0	112.2	K365 K527 E529	K365-D531 IonicContact NZ-OD2 3.63Å; K365-D531 PolarHBondContact NZ-OD2 2.93Å; K527-D531 VanDerWaalsContact CE-OD1 3.25Å; K527-D531 WeakPolarHBondContact CE-OD1 3.38Å; K527-D531 IonicContact NZ-OD1 3.99Å; K527-D531 PolarHBondContact NZ-OD1 2.95Å; K527-D531 WeakPolarHBondContact O-CB 3.24Å; K527-D531 VanDerWaalsContact O-CG 3.24Å; K527-D531 PolarHBondContact O-N 2.78Å; E529-D531 VanDerWaalsContact C-N 3.3Å; E529-D531 PolarHBondContact O-N 2.87Å
532	A	91.5	Very high	89.6	Confident	4 Å²	4	39 Å²	39	3%	0.033	21%	0.206	C	C	.	.	H	α-helix	trans	-95.1	-3	-179.3	0	0	0	0	0	114.3	V466 L528 E529 N530 N534 I535	V466-A532 HydrophobicContact CG2-CB 3.97Å; L528-A532 PolarHBondContact O-N 3.3Å; E529-A532 CarbonylContact O-C 3.58Å; E529-A532 WeakPolarHBondContact O-CA 3.39Å; E529-A532 WeakPolarHBondContact O-CB 3.48Å; E529-A532 PolarHBondContact O-N 3.08Å; N530-A532 PolarHBondContact O-N 2.82Å; A532-N534 VanDerWaalsContact C-N 3.27Å; A532-N534 PolarHBondContact O-N 3.19Å; A532-I535 HydrophobicContact CB-CD1 3.89Å; A532-I535 WeakPolarHBondContact O-CB 3.31Å; A532-I535 PolarHBondContact O-N 3.01Å; A532-I535 VanDerWaalsContact O-N 3.08Å
533	L	88.3	Confident	90.5	Very high	107 Å²	107	38.2 Å²	38.2	56%	0.56	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.3	-174.6	-77.2	170.8	0	0	0	113.6	E529 N530 I535	E529-L533 PolarHBondContact O-N 2.84Å; N530-L533 HydrophobicContact CB-CD1 4.3Å; N530-L533 WeakPolarHBondContact O-CB 2.92Å; N530-L533 PolarHBondContact O-N 2.96Å; L533-I535 VanDerWaalsContact C-N 3.33Å
534	N	90.4	Very high	91.3	Very high	160 Å²	160	35.8 Å²	35.8	86%	0.856	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.4	-177.5	-67.4	-21.6	0	0	0	113.5	A532 S536	A532-N534 VanDerWaalsContact C-N 3.27Å; A532-N534 PolarHBondContact O-N 3.19Å; N534-S536 PolarHBondContact O-N 2.95Å
535	I	93.4	Very high	91.6	Very high	53 Å²	53	40.3 Å²	40.3	27%	0.272	20%	0.203	S	C	.	.			trans	-70.1	124.5	179.2	-61.8	178.7	0	0	0	108.1	K463 V466 R495 A532 L533 T574	K463-I535 HydrophobicContact CB-CD1 4.46Å; V466-I535 HydrophobicContact CG2-CB 4.21Å; V466-I535 HydrophobicContact CG2-CD1 3.94Å; V466-I535 HydrophobicContact CG2-CG2 4.08Å; R495-I535 PolarHBondContact NH1-O 2.98Å; R495-I535 PolarHBondContact NH2-O 3.1Å; A532-I535 HydrophobicContact CB-CD1 3.89Å; A532-I535 WeakPolarHBondContact O-CB 3.31Å; A532-I535 PolarHBondContact O-N 3.01Å; A532-I535 VanDerWaalsContact O-N 3.08Å; L533-I535 VanDerWaalsContact C-N 3.33Å; I535-T574 HydrophobicContact CG2-CG2 3.58Å
536	S	95	Very high	91.8	Very high	49 Å²	49	41.4 Å²	41.4	34%	0.343	21%	0.213	S	C	.	.			trans	-71	153.1	174.6	-66.8	0	0	0	0	110.6	N534 T574	N534-S536 PolarHBondContact O-N 2.95Å; S536-T574 WeakPolarHBondContact O-CA 3.36Å; S536-T574 WeakPolarHBondContact O-CB 3.24Å
537	L	96.2	Very high	92	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.			trans	-136.1	125.6	177.7	179.7	64.6	0	0	0	107.9	L461 A468 R495 L550 V551 L572 T574	L461-L537 HydrophobicContact CD1-CD1 3.5Å; L461-L537 HydrophobicContact CD1-CD2 3.69Å; L461-L537 HydrophobicContact CD1-CG 4.26Å; A468-L537 HydrophobicContact CB-CD2 4.24Å; R495-L537 HydrophobicContact CG-CD2 4.18Å; L537-L550 CarbonylContact O-C 3.43Å; L537-L550 WeakPolarHBondContact O-CD1 3.46Å; L537-V551 HydrophobicContact CB-CB 4.24Å; L537-V551 HydrophobicContact CD2-CB 3.95Å; L537-V551 HydrophobicContact CD2-CG1 4.01Å; L537-V551 HydrophobicContact CD2-CG2 4.4Å; L537-V551 HydrophobicContact CG-CB 3.95Å; L537-V551 HydrophobicContact CG-CG2 4.15Å; L537-V551 PolarHBondContact O-N 2.8Å; L537-L572 HydrophobicContact CD1-CB 4.11Å; L537-L572 HydrophobicContact CD1-CD2 4.22Å; L537-L572 HydrophobicContact CD2-CD2 4.13Å; L537-L572 HydrophobicContact CG-CD2 4.26Å; L537-T574 HydrophobicContact CD1-CG2 4.3Å
538	Y	96.7	Very high	92.4	Very high	50 Å²	50	41.2 Å²	41.2	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.1	-178.7	-57.8	-86.2	0	0	0	109.8	V549 L550 L572 G573 L576	Y538-V549 CarbonylContact C-O 3.54Å; Y538-V549 VanDerWaalsContact CA-O 3.28Å; Y538-V549 WeakPolarHBondContact CA-O 3.4Å; Y538-L550 HydrophobicContact CD1-CB 4.32Å; Y538-L550 HydrophobicContact CD1-CD1 4.2Å; Y538-L550 HydrophobicContact CE1-CB 4.21Å; Y538-L550 HydrophobicContact CE1-CD1 3.75Å; Y538-L572 CarbonylContact O-C 3.52Å; Y538-L572 WeakPolarHBondContact O-CA 3.4Å; Y538-L572 WeakPolarHBondContact O-CB 3.24Å; Y538-G573 PolarHBondContact N-O 3.41Å; Y538-G573 PolarHBondContact O-N 2.67Å; Y538-L576 HydrophobicContact CD1-CD1 4.11Å; Y538-L576 HydrophobicContact CD2-CB 4.08Å; Y538-L576 HydrophobicContact CE1-CD1 4.49Å; Y538-L576 HydrophobicContact CE2-CB 3.91Å; Y538-L576 HydrophobicContact CG-CB 4.46Å; Y538-L576 HydrophobicContact CG-CD1 4.19Å
539	V	97.1	Very high	92.7	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.1	173.9	64.9	0	0	0	0	110.5	V493 P548 V549 V551 L556 V558 M570 Y571 L572	V493-V539 HydrophobicContact CG1-CB 4.19Å; V493-V539 HydrophobicContact CG1-CG1 4Å; V493-V539 HydrophobicContact CG1-CG2 4.08Å; V539-P548 CarbonylContact O-C 3.57Å; V539-P548 VanDerWaalsContact O-CA 3.28Å; V539-P548 WeakPolarHBondContact O-CA 3.4Å; V539-V549 HydrophobicContact CG1-CB 4.49Å; V539-V549 PolarHBondContact N-O 2.92Å; V539-V549 PolarHBondContact O-N 3.48Å; V539-V551 HydrophobicContact CB-CG2 3.69Å; V539-V551 HydrophobicContact CG1-CG2 3.58Å; V539-L556 HydrophobicContact CG1-CD2 3.57Å; V539-V558 HydrophobicContact CG1-CG2 4.27Å; V539-V558 HydrophobicContact CG2-CG2 4.11Å; V539-M570 HydrophobicContact CG2-CB 4.15Å; V539-M570 HydrophobicContact CG2-CG 4.5Å; V539-M570 HydrophobicContact CG2-SD 4.07Å; V539-Y571 CarbonylContact C-O 3.56Å; V539-Y571 VanDerWaalsContact CA-O 3.3Å; V539-Y571 WeakPolarHBondContact CA-O 3.03Å; V539-Y571 WeakPolarHBondContact CG2-O 2.99Å; V539-L572 HydrophobicContact CB-CD2 4.42Å; V539-L572 HydrophobicContact CB-CG 3.91Å; V539-L572 HydrophobicContact CG2-CD1 3.94Å; V539-L572 HydrophobicContact CG2-CG 3.86Å
540	C	95.6	Very high	93	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.3	167.2	41.3	0	0	0	0	111.3	C544 P548 M570 Y571	C540-C544 HydrophobicContact CB-CB 3.63Å; C540-C544 WeakPolarHBondContact CB-SG 3.38Å; C540-C544 WeakPolarHBondContact SG-CB 3.39Å; C540-C544 CovalentContact SG-SG 2.03Å; C540-C544 PolarHBondContact SG-SG 3.03Å; C540-P548 HydrophobicContact CB-CB 4.24Å; C540-P548 HydrophobicContact CB-CG 4.09Å; C540-M570 CarbonylContact O-C 3.58Å; C540-M570 VanDerWaalsContact O-CA 3.26Å; C540-M570 WeakPolarHBondContact O-CA 3.36Å; C540-M570 WeakPolarHBondContact O-CB 3.48Å; C540-Y571 PolarHBondContact N-O 3.32Å; C540-Y571 PolarHBondContact O-N 3.46Å
541	P	96	Very high	93.4	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.039	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	152.3	178.4	32.2	-35.5	0	0	0	112.2	C544 Y545 S546 V558	P541-C544 WeakPolarHBondContact O-CA 3.37Å; P541-C544 PolarHBondContact O-N 2.88Å; P541-Y545 HydrophobicContact CB-CE1 4.26Å; P541-Y545 HydrophobicContact CG-CD1 4.32Å; P541-Y545 HydrophobicContact CG-CE1 3.66Å; P541-S546 WeakPolarHBondContact CD-OG 3.47Å; P541-S546 WeakPolarHBondContact CG-OG 3.29Å; P541-V558 HydrophobicContact CB-CG1 3.81Å
542	A	92	Very high	93.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	-141.6	177.5	0	0	0	0	0	111.7	C544 Y545 T561 A568 L569 Y571	A542-C544 PolarHBondContact O-N 2.95Å; A542-Y545 HydrophobicContact CB-CD1 4.38Å; A542-T561 WeakPolarHBondContact CB-OG1 3.45Å; A542-A568 VanDerWaalsContact CA-O 3.26Å; A542-A568 WeakPolarHBondContact CA-O 3.12Å; A542-L569 PolarHBondContact N-O 2.83Å; A542-Y571 WeakPolarHBondContact O-CD2 3.41Å; A542-Y571 WeakPolarHBondContact O-CE2 3.17Å
543	A	90	Very high	93.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	24.1	176.3	0	0	0	0	0	115.6	Y545 T567 L586 Y588	A543-Y545 VanDerWaalsContact C-N 3.27Å; A543-Y545 PolarHBondContact O-N 2.92Å; A543-T567 HydrophobicContact CB-CG2 4.28Å; A543-T567 PolarHBondContact N-OG1 2.81Å; A543-L586 HydrophobicContact CB-CB 4.14Å; A543-L586 HydrophobicContact CB-CD1 4.05Å; A543-Y588 HydrophobicContact CB-CD1 3.46Å; A543-Y588 VanDerWaalsContact CB-CD1 3.46Å; A543-Y588 HydrophobicContact CB-CE1 3.89Å; A543-Y588 HydrophobicContact CB-CG 4.14Å
544	C	92	Very high	94.1	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.054	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	40.3	-177.6	-66.6	0	0	0	0	113.7	C540 P541 A542 S546	C540-C544 HydrophobicContact CB-CB 3.63Å; C540-C544 WeakPolarHBondContact CB-SG 3.38Å; C540-C544 WeakPolarHBondContact SG-CB 3.39Å; C540-C544 CovalentContact SG-SG 2.03Å; C540-C544 PolarHBondContact SG-SG 3.03Å; P541-C544 WeakPolarHBondContact O-CA 3.37Å; P541-C544 PolarHBondContact O-N 2.88Å; A542-C544 PolarHBondContact O-N 2.95Å; C544-S546 PolarHBondContact O-N 3.1Å
545	Y	90.2	Very high	94.4	Very high	102 Å²	102	47.4 Å²	47.4	40%	0.4	25%	0.252	S	S	.	.			trans	-66.3	-27.3	179.3	76.3	-85.3	0	0	0	113.6	P541 A542 A543 T561 I591	P541-Y545 HydrophobicContact CB-CE1 4.26Å; P541-Y545 HydrophobicContact CG-CD1 4.32Å; P541-Y545 HydrophobicContact CG-CE1 3.66Å; A542-Y545 HydrophobicContact CB-CD1 4.38Å; A543-Y545 VanDerWaalsContact C-N 3.27Å; A543-Y545 PolarHBondContact O-N 2.92Å; Y545-T561 HydrophobicContact CE1-CG2 4.28Å; Y545-I591 HydrophobicContact CD1-CD1 3.49Å; Y545-I591 VanDerWaalsContact CD1-CD1 3.49Å; Y545-I591 HydrophobicContact CD1-CG2 4.13Å; Y545-I591 HydrophobicContact CD2-CD1 4.25Å; Y545-I591 HydrophobicContact CE1-CD1 4.42Å; Y545-I591 HydrophobicContact CE1-CG2 4.06Å; Y545-I591 HydrophobicContact CG-CD1 3.37Å
546	S	90.9	Very high	94.6	Very high	36 Å²	36	47 Å²	47	25%	0.252	25%	0.251	S	S	.	.	S	Bend	trans	-98.9	151	174.3	66.4	0	0	0	0	110.4	P541 C544	P541-S546 WeakPolarHBondContact CD-OG 3.47Å; P541-S546 WeakPolarHBondContact CG-OG 3.29Å; C544-S546 PolarHBondContact O-N 3.1Å
547	T	91.1	Very high	94.7	Very high	111 Å²	111	48.1 Å²	48.1	68%	0.681	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-53.4	129.8	175.1	53.7	0	0	0	0	111.4
548	P	95.2	Very high	94.7	Very high	18 Å²	18	48.4 Å²	48.4	12%	0.117	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-59.1	140.3	179.2	-24.6	32.6	0	0	0	112.8	V539 C540 L576 L579 M580	V539-P548 CarbonylContact O-C 3.57Å; V539-P548 VanDerWaalsContact O-CA 3.28Å; V539-P548 WeakPolarHBondContact O-CA 3.4Å; C540-P548 HydrophobicContact CB-CB 4.24Å; C540-P548 HydrophobicContact CB-CG 4.09Å; P548-L576 HydrophobicContact CB-CD1 3.64Å; P548-L576 HydrophobicContact CG-CD1 3.71Å; P548-L579 HydrophobicContact CB-CD2 4Å; P548-L579 HydrophobicContact CG-CD2 4.03Å; P548-M580 WeakPolarHBondContact CD-SD 3.36Å; P548-M580 HydrophobicContact CG-CG 4.33Å; P548-M580 HydrophobicContact CG-SD 3.7Å
549	V	96.2	Very high	94.6	Very high	71 Å²	71	49.4 Å²	49.4	43%	0.43	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.7	-176.6	-178.1	0	0	0	0	109.8	Y538 V539 V551 L556	Y538-V549 CarbonylContact C-O 3.54Å; Y538-V549 VanDerWaalsContact CA-O 3.28Å; Y538-V549 WeakPolarHBondContact CA-O 3.4Å; V539-V549 HydrophobicContact CG1-CB 4.49Å; V539-V549 PolarHBondContact N-O 2.92Å; V539-V549 PolarHBondContact O-N 3.48Å; V549-V551 PolarHBondContact O-N 3.22Å; V549-L556 HydrophobicContact CB-CD2 4.19Å; V549-L556 HydrophobicContact CG1-CD1 4.29Å; V549-L556 HydrophobicContact CG1-CD2 3.81Å
550	L	97	Very high	94.5	Very high	73 Å²	73	50.7 Å²	50.7	38%	0.382	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.7	177.2	-175.1	75.2	0	0	0	111.1	L537 Y538	L537-L550 CarbonylContact O-C 3.43Å; L537-L550 WeakPolarHBondContact O-CD1 3.46Å; Y538-L550 HydrophobicContact CD1-CB 4.32Å; Y538-L550 HydrophobicContact CD1-CD1 4.2Å; Y538-L550 HydrophobicContact CE1-CB 4.21Å; Y538-L550 HydrophobicContact CE1-CD1 3.75Å
551	V	96.6	Very high	94.4	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	28%	0.279	C	S	.	.			trans	-83.8	121.3	176	-174.6	0	0	0	0	109.7	V493 R495 L537 V539 V549 L556 L572	V493-V551 HydrophobicContact CG1-CG1 4.39Å; V493-V551 HydrophobicContact CG1-CG2 4.2Å; R495-V551 WeakPolarHBondContact CD-O 3.32Å; R495-V551 HydrophobicContact CG-CG1 4.07Å; L537-V551 HydrophobicContact CB-CB 4.24Å; L537-V551 HydrophobicContact CD2-CB 3.95Å; L537-V551 HydrophobicContact CD2-CG1 4.01Å; L537-V551 HydrophobicContact CD2-CG2 4.4Å; L537-V551 HydrophobicContact CG-CB 3.95Å; L537-V551 HydrophobicContact CG-CG2 4.15Å; L537-V551 PolarHBondContact O-N 2.8Å; V539-V551 HydrophobicContact CB-CG2 3.69Å; V539-V551 HydrophobicContact CG1-CG2 3.58Å; V549-V551 PolarHBondContact O-N 3.22Å; V551-L556 HydrophobicContact CG2-CD2 4.46Å; V551-L572 HydrophobicContact CG2-CD2 4.37Å
552	K	95	Very high	94.3	Very high	125 Å²	125	52.2 Å²	52.2	54%	0.543	28%	0.284	S	S	.	.			trans	-107.3	-175.1	177.6	-61.5	-175.2	-177.2	179.1	0	110.9	R495 T554	R495-K552 PolarHBondContact N-O 2.88Å; K552-T554 PolarHBondContact O-N 2.84Å
553	T	92.8	Very high	94.4	Very high	104 Å²	104	52.3 Å²	52.3	64%	0.638	28%	0.284	S	S	*	.	S	Bend	trans	-70.6	-19.7	172	50.9	0	0	0	0	112.9	R495	R495-T553 HydrophobicContact CB-CG2 4.43Å
554	T	95.9	Very high	94.6	Very high	92 Å²	92	56.5 Å²	56.5	56%	0.564	31%	0.306	S	S	*	.	S	Bend	trans	-78.4	139.6	173.5	53.7	0	0	0	0	110.8	W494 K552 L556	W494-T554 WeakPolarHBondContact CB-O 3.44Å; K552-T554 PolarHBondContact O-N 2.84Å; T554-L556 PolarHBondContact O-N 3.05Å
555	R	96.7	Very high	94.7	Very high	90 Å²	90	59.6 Å²	59.6	34%	0.34	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-53.8	116.4	175.4	-172.8	-179.7	-173.8	-104.8	2.2	111.2	E471 E490 S492 W494	E471-R555 IonicContact OE2-CZ 3.6Å; E471-R555 VanDerWaalsContact OE2-CZ 3.26Å; E471-R555 IonicContact OE2-NE 3.64Å; E471-R555 PolarHBondContact OE2-NE 2.81Å; E471-R555 IonicContact OE2-NH2 2.81Å; E471-R555 PolarHBondContact OE2-NH2 3.13Å; E490-R555 IonicContact OE1-CZ 2.7Å; E490-R555 IonicContact OE1-NH1 3.87Å; E490-R555 PolarHBondContact OE1-NH1 3.04Å; E490-R555 IonicContact OE1-NH2 3.85Å; E490-R555 PolarHBondContact OE1-NH2 3.36Å; E490-R555 IonicContact OE2-NH1 3.72Å; S492-R555 PolarHBondContact OG-NE 3.26Å; S492-R555 PolarHBondContact OG-NH2 2.77Å; W494-R555 HydrophobicContact CE3-CB 4.28Å; W494-R555 HydrophobicContact CE3-CG 3.89Å; W494-R555 HydrophobicContact CZ3-CG 4.04Å
556	L	97.7	Very high	94.7	Very high	46 Å²	46	59.8 Å²	59.8	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.8	173.6	176.1	64.8	0	0	0	109	S492 V493 V539 V549 V551 T554	S492-L556 CarbonylContact C-O 3.17Å; S492-L556 WeakPolarHBondContact CA-O 3.4Å; V493-L556 PolarHBondContact N-O 2.55Å; V493-L556 WeakPolarHBondContact O-CB 3.46Å; V493-L556 PolarHBondContact O-N 2.89Å; V539-L556 HydrophobicContact CG1-CD2 3.57Å; V549-L556 HydrophobicContact CB-CD2 4.19Å; V549-L556 HydrophobicContact CG1-CD1 4.29Å; V549-L556 HydrophobicContact CG1-CD2 3.81Å; V551-L556 HydrophobicContact CG2-CD2 4.46Å; T554-L556 PolarHBondContact O-N 3.05Å
557	V	97	Very high	94.8	Very high	72 Å²	72	59.7 Å²	59.7	44%	0.436	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.7	172.7	178.2	0	0	0	0	108.8	E490 L491	E490-V557 HydrophobicContact CG-CG1 3.76Å; E490-V557 HydrophobicContact CG-CG2 4.3Å; L491-V557 WeakPolarHBondContact O-CA 3.48Å
558	V	96.4	Very high	94.9	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.6	179.2	-178.3	0	0	0	0	108	L491 V493 V539 P541 F560 M570	L491-V558 HydrophobicContact CB-CB 4.38Å; L491-V558 PolarHBondContact O-N 3.35Å; V493-V558 HydrophobicContact CG1-CG2 3.8Å; V539-V558 HydrophobicContact CG1-CG2 4.27Å; V539-V558 HydrophobicContact CG2-CG2 4.11Å; P541-V558 HydrophobicContact CB-CG1 3.81Å; V558-F560 PolarHBondContact O-N 3.19Å; V558-M570 HydrophobicContact CG1-CB 4.3Å; V558-M570 HydrophobicContact CG2-SD 4.28Å
559	P	94.5	Very high	94.9	Very high	71 Å²	71	53.9 Å²	53.9	46%	0.461	30%	0.302	S	S	.	.			trans	-55	129.9	177	-25.4	34.2	0	0	0	111.6	T561	P559-T561 HydrophobicContact CB-CG2 4.31Å; P559-T561 PolarHBondContact O-N 3.39Å
560	F	94.8	Very high	94.9	Very high	30 Å²	30	50.5 Å²	50.5	13%	0.132	28%	0.281	C	S	.	.			trans	-81.7	98.6	173.7	177.3	-134.9	0	0	0	109.7	P447 L450 V489 L491 V558 V562 L569 G594 P595	P447-F560 HydrophobicContact CB-CE2 4.44Å; P447-F560 HydrophobicContact CB-CZ 4.25Å; L450-F560 HydrophobicContact CD1-CD2 4.36Å; L450-F560 HydrophobicContact CD1-CE2 3.51Å; L450-F560 HydrophobicContact CD1-CZ 3.62Å; V489-F560 HydrophobicContact CB-CD1 3.66Å; V489-F560 HydrophobicContact CB-CE1 3.84Å; V489-F560 HydrophobicContact CB-CG 4.15Å; V489-F560 HydrophobicContact CG1-CD1 4.46Å; V489-F560 HydrophobicContact CG2-CD1 4.16Å; V489-F560 HydrophobicContact CG2-CE1 3.82Å; V489-F560 HydrophobicContact CG2-CZ 4.4Å; L491-F560 HydrophobicContact CD1-CB 4.36Å; L491-F560 HydrophobicContact CD1-CD2 3.83Å; L491-F560 HydrophobicContact CD1-CG 4.48Å; L491-F560 HydrophobicContact CG-CB 4.4Å; L491-F560 HydrophobicContact CG-CD2 4.38Å; V558-F560 PolarHBondContact O-N 3.19Å; F560-V562 HydrophobicContact CE2-CG2 4.22Å; F560-L569 HydrophobicContact CD2-CD2 4.42Å; F560-L569 HydrophobicContact CE2-CD2 3.9Å; F560-G594 VanDerWaalsContact CE1-C 3.44Å; F560-G594 VanDerWaalsContact CE1-CA 3.42Å; F560-G594 PolarHBondContact O-N 2.79Å; F560-P595 WeakPolarHBondContact CE1-O 3.19Å
561	T	94.5	Very high	94.8	Very high	14 Å²	14	47.4 Å²	47.4	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.7	-179.8	52.6	0	0	0	0	110.6	A542 Y545 P559 I591 S592	A542-T561 WeakPolarHBondContact CB-OG1 3.45Å; Y545-T561 HydrophobicContact CE1-CG2 4.28Å; P559-T561 HydrophobicContact CB-CG2 4.31Å; P559-T561 PolarHBondContact O-N 3.39Å; T561-I591 HydrophobicContact CG2-CG2 4.29Å; T561-S592 CarbonylContact C-O 3.49Å; T561-S592 WeakPolarHBondContact CA-O 3.17Å
562	V	94.8	Very high	94.8	Very high	24 Å²	24	47.3 Å²	47.3	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.5	178.8	178.9	0	0	0	0	109	P447 F560 S592	P447-V562 HydrophobicContact CB-CG2 3.97Å; P447-V562 HydrophobicContact CG-CG1 4.31Å; P447-V562 HydrophobicContact CG-CG2 3.73Å; F560-V562 HydrophobicContact CE2-CG2 4.22Å; V562-S592 PolarHBondContact N-O 3.02Å; V562-S592 PolarHBondContact O-N 3.49Å
563	S	94.2	Very high	94.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	160.8	175.8	64	0	0	0	0	112	P565 P566 T567 E590	S563-P565 CarbonylContact C-O 3.59Å; S563-P565 WeakPolarHBondContact CB-O 3.24Å; S563-P565 CarbonylContact O-C 3.57Å; S563-P565 VanDerWaalsContact O-O 3.08Å; S563-P565 PolarHBondContact OG-O 3.25Å; S563-P566 VanDerWaalsContact O-CA 3.26Å; S563-P566 WeakPolarHBondContact O-CA 3.47Å; S563-T567 WeakPolarHBondContact OG-CB 3.41Å; S563-T567 WeakPolarHBondContact OG-CG2 3.06Å; S563-T567 PolarHBondContact OG-N 3.16Å; S563-T567 VanDerWaalsContact OG-N 3.09Å; S563-T567 PolarHBondContact OG-OG1 3.16Å; S563-E590 CarbonylContact C-O 3.57Å; S563-E590 VanDerWaalsContact CA-O 3.32Å; S563-E590 WeakPolarHBondContact CA-O 3.17Å
564	I	93.3	Very high	94.8	Very high	89 Å²	89	36.9 Å²	36.9	46%	0.456	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.6	169.5	-60.6	174.5	0	0	0	108.3	V589 E590	I564-V589 WeakPolarHBondContact O-CB 3.48Å; I564-V589 PolarHBondContact O-N 3.3Å; I564-E590 PolarHBondContact N-O 2.74Å
565	P	93.2	Very high	94.7	Very high	73 Å²	73	36.5 Å²	36.5	47%	0.474	20%	0.202	S	C	.	.	S	Bend	cis	-62.7	159.9	-5.5	29.4	-36.5	0	0	0	112.9	S563 T567	S563-P565 CarbonylContact C-O 3.59Å; S563-P565 WeakPolarHBondContact CB-O 3.24Å; S563-P565 CarbonylContact O-C 3.57Å; S563-P565 VanDerWaalsContact O-O 3.08Å; S563-P565 PolarHBondContact OG-O 3.25Å; P565-T567 PolarHBondContact O-N 3.21Å
566	P	90.5	Very high	94.5	Very high	106 Å²	106	35.7 Å²	35.7	69%	0.688	20%	0.204	S	C	*	.			trans	-64.1	130.9	-177.6	25.7	-33.9	0	0	0	111.7	S563	S563-P566 VanDerWaalsContact O-CA 3.26Å; S563-P566 WeakPolarHBondContact O-CA 3.47Å
567	T	92.9	Very high	94.2	Very high	35 Å²	35	36.2 Å²	36.2	22%	0.215	22%	0.221	C	C	.	.			trans	-115.8	-176.4	171.3	57.7	0	0	0	0	109.6	A543 S563 P565	A543-T567 HydrophobicContact CB-CG2 4.28Å; A543-T567 PolarHBondContact N-OG1 2.81Å; S563-T567 WeakPolarHBondContact OG-CB 3.41Å; S563-T567 WeakPolarHBondContact OG-CG2 3.06Å; S563-T567 PolarHBondContact OG-N 3.16Å; S563-T567 VanDerWaalsContact OG-N 3.09Å; S563-T567 PolarHBondContact OG-OG1 3.16Å; P565-T567 PolarHBondContact O-N 3.21Å
568	A	94	Very high	93.8	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	21%	0.212	C	C	.	.			trans	-56.5	153	176.3	0	0	0	0	0	111.8	D444 A542 M570 Y571	D444-A568 VanDerWaalsContact OD1-CA 3.25Å; D444-A568 WeakPolarHBondContact OD1-CA 3.44Å; D444-A568 WeakPolarHBondContact OD1-CB 3.27Å; A542-A568 VanDerWaalsContact CA-O 3.26Å; A542-A568 WeakPolarHBondContact CA-O 3.12Å; A568-M570 VanDerWaalsContact C-N 3.27Å; A568-M570 PolarHBondContact O-N 3.27Å; A568-Y571 HydrophobicContact CB-CD1 4.36Å; A568-Y571 HydrophobicContact CB-CD2 4.12Å; A568-Y571 HydrophobicContact CB-CE1 3.81Å; A568-Y571 HydrophobicContact CB-CE2 3.54Å; A568-Y571 HydrophobicContact CB-CG 4.49Å; A568-Y571 PolarHBondContact N-OH 3.48Å
569	L	95.1	Very high	93.6	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-64.2	-37.1	173.8	-62.9	-177.1	0	0	0	111.9	F443 Y445 P447 L450 L491 A542 F560	F443-L569 HydrophobicContact CD1-CB 4.19Å; F443-L569 HydrophobicContact CD1-CD1 4.12Å; F443-L569 HydrophobicContact CE1-CD1 4.03Å; F443-L569 WeakPolarHBondContact O-CB 3.08Å; F443-L569 PolarHBondContact O-N 3.24Å; Y445-L569 VanDerWaalsContact O-CD1 3.29Å; Y445-L569 WeakPolarHBondContact O-CD1 3.5Å; Y445-L569 VanDerWaalsContact O-CG 3.31Å; Y445-L569 WeakPolarHBondContact O-CG 3.4Å; P447-L569 HydrophobicContact CG-CD2 3.91Å; L450-L569 HydrophobicContact CD1-CD1 3.92Å; L450-L569 HydrophobicContact CD2-CD1 4.31Å; L491-L569 HydrophobicContact CD1-CB 4.03Å; L491-L569 HydrophobicContact CD1-CD1 4.15Å; A542-L569 PolarHBondContact N-O 2.83Å; F560-L569 HydrophobicContact CD2-CD2 4.42Å; F560-L569 HydrophobicContact CE2-CD2 3.9Å
570	M	95.8	Very high	93.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.6	174.9	62.9	178.9	103.5	0	0	110.5	F443 F470 L491 V493 V539 C540 V558 A568 L572	F443-M570 HydrophobicContact CB-CG 3.78Å; F443-M570 HydrophobicContact CD1-CE 3.65Å; F443-M570 HydrophobicContact CD1-CG 4.1Å; F443-M570 HydrophobicContact CD1-SD 4.47Å; F443-M570 HydrophobicContact CE1-CE 4.1Å; F443-M570 HydrophobicContact CG-CG 4.45Å; F443-M570 PolarHBondContact N-O 2.82Å; F470-M570 HydrophobicContact CD1-CE 4.43Å; F470-M570 HydrophobicContact CD1-SD 4.12Å; F470-M570 HydrophobicContact CE1-SD 4.18Å; L491-M570 HydrophobicContact CB-CE 3.83Å; L491-M570 HydrophobicContact CD1-CE 4.17Å; L491-M570 HydrophobicContact CG-CE 4.46Å; V493-M570 HydrophobicContact CB-SD 4.35Å; V539-M570 HydrophobicContact CG2-CB 4.15Å; V539-M570 HydrophobicContact CG2-CG 4.5Å; V539-M570 HydrophobicContact CG2-SD 4.07Å; C540-M570 CarbonylContact O-C 3.58Å; C540-M570 VanDerWaalsContact O-CA 3.26Å; C540-M570 WeakPolarHBondContact O-CA 3.36Å; C540-M570 WeakPolarHBondContact O-CB 3.48Å; V558-M570 HydrophobicContact CG1-CB 4.3Å; V558-M570 HydrophobicContact CG2-SD 4.28Å; A568-M570 VanDerWaalsContact C-N 3.27Å; A568-M570 PolarHBondContact O-N 3.27Å; M570-L572 HydrophobicContact CG-CD1 4.16Å; M570-L572 HydrophobicContact SD-CD1 4.13Å
571	Y	95.9	Very high	93.2	Very high	8 Å²	8	38.6 Å²	38.6	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143	171.6	-61.8	-95.2	0	0	0	109.8	H440 I441 S442 V539 C540 A542 A568 Y582 L586	H440-Y571 AromaticContact CD2-CD1 3.83Å; I441-Y571 CarbonylContact O-C 3.52Å; I441-Y571 VanDerWaalsContact O-CA 3.32Å; I441-Y571 WeakPolarHBondContact O-CA 3.36Å; S442-Y571 VanDerWaalsContact CB-CE1 3.48Å; V539-Y571 CarbonylContact C-O 3.56Å; V539-Y571 VanDerWaalsContact CA-O 3.3Å; V539-Y571 WeakPolarHBondContact CA-O 3.03Å; V539-Y571 WeakPolarHBondContact CG2-O 2.99Å; C540-Y571 PolarHBondContact N-O 3.32Å; C540-Y571 PolarHBondContact O-N 3.46Å; A542-Y571 WeakPolarHBondContact O-CD2 3.41Å; A542-Y571 WeakPolarHBondContact O-CE2 3.17Å; A568-Y571 HydrophobicContact CB-CD1 4.36Å; A568-Y571 HydrophobicContact CB-CD2 4.12Å; A568-Y571 HydrophobicContact CB-CE1 3.81Å; A568-Y571 HydrophobicContact CB-CE2 3.54Å; A568-Y571 HydrophobicContact CB-CG 4.49Å; A568-Y571 PolarHBondContact N-OH 3.48Å; Y571-Y582 HydrophobicContact CD1-CD1 4.44Å; Y571-Y582 AromaticContact CD1-CE1 3.88Å; Y571-Y582 HydrophobicContact CD1-CE1 3.88Å; Y571-Y582 HydrophobicContact CE1-CD1 4.46Å; Y571-Y582 AromaticContact CE1-CE1 3.52Å; Y571-Y582 HydrophobicContact CE1-CE1 3.52Å; Y571-L586 HydrophobicContact CE2-CD1 3.92Å
572	L	96.3	Very high	93	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.4	168.9	-62.7	78.8	0	0	0	110.9	H440 I441 L461 F470 V493 L537 Y538 V539 V551 M570	H440-L572 CarbonylContact C-O 3.54Å; H440-L572 WeakPolarHBondContact CA-O 3.3Å; H440-L572 VanDerWaalsContact CB-O 3.3Å; H440-L572 WeakPolarHBondContact CB-O 2.85Å; I441-L572 HydrophobicContact CG2-CB 3.61Å; I441-L572 WeakPolarHBondContact CG2-O 3.22Å; I441-L572 PolarHBondContact N-O 3.19Å; I441-L572 PolarHBondContact O-N 3.22Å; L461-L572 HydrophobicContact CD1-CD2 4.44Å; F470-L572 HydrophobicContact CE1-CD1 3.45Å; F470-L572 VanDerWaalsContact CE1-CD1 3.45Å; F470-L572 HydrophobicContact CE1-CD2 4.29Å; F470-L572 HydrophobicContact CZ-CD1 3.81Å; F470-L572 HydrophobicContact CZ-CD2 4.07Å; V493-L572 HydrophobicContact CG2-CD2 3.7Å; L537-L572 HydrophobicContact CD1-CB 4.11Å; L537-L572 HydrophobicContact CD1-CD2 4.22Å; L537-L572 HydrophobicContact CD2-CD2 4.13Å; L537-L572 HydrophobicContact CG-CD2 4.26Å; Y538-L572 CarbonylContact O-C 3.52Å; Y538-L572 WeakPolarHBondContact O-CA 3.4Å; Y538-L572 WeakPolarHBondContact O-CB 3.24Å; V539-L572 HydrophobicContact CB-CD2 4.42Å; V539-L572 HydrophobicContact CB-CG 3.91Å; V539-L572 HydrophobicContact CG2-CD1 3.94Å; V539-L572 HydrophobicContact CG2-CG 3.86Å; V551-L572 HydrophobicContact CG2-CD2 4.37Å; M570-L572 HydrophobicContact CG-CD1 4.16Å; M570-L572 HydrophobicContact SD-CD1 4.13Å
573	G	94.5	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.3	177.7	0	0	0	0	0	110.7	Y538	Y538-G573 PolarHBondContact N-O 3.41Å; Y538-G573 PolarHBondContact O-N 2.67Å
574	T	93.8	Very high	92.3	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.055	26%	0.263	C	S	.	.	S	Bend	trans	-87.5	-19.8	176.6	52.2	0	0	0	0	112.6	K463 V466 I535 S536 L537	K463-T574 HydrophobicContact CB-CG2 4.21Å; K463-T574 WeakPolarHBondContact CE-OG1 3.32Å; K463-T574 HydrophobicContact CG-CG2 3.7Å; K463-T574 WeakPolarHBondContact CG-OG1 3.39Å; V466-T574 HydrophobicContact CG1-CG2 4.46Å; V466-T574 HydrophobicContact CG2-CG2 4.47Å; I535-T574 HydrophobicContact CG2-CG2 3.58Å; S536-T574 WeakPolarHBondContact O-CA 3.36Å; S536-T574 WeakPolarHBondContact O-CB 3.24Å; L537-T574 HydrophobicContact CD1-CG2 4.3Å
575	E	92.6	Very high	92.1	Very high	84 Å²	84	47 Å²	47	39%	0.393	27%	0.265	S	S	.	.			trans	-116.8	117.3	179.7	-59.4	-172.9	-150.7	0	0	109.4	K463 G577 E578 L579	K463-E575 IonicContact NZ-OE1 2.67Å; K463-E575 PolarHBondContact NZ-OE1 3.13Å; E575-G577 VanDerWaalsContact C-N 3.31Å; E575-G577 PolarHBondContact O-N 3.37Å; E575-E578 HydrophobicContact CB-CB 4.12Å; E575-E578 HydrophobicContact CB-CG 3.84Å; E575-E578 PolarHBondContact O-N 2.67Å; E575-L579 PolarHBondContact O-N 3.08Å; E575-L579 VanDerWaalsContact O-N 3.15Å
576	L	92.5	Very high	91.9	Very high	73 Å²	73	44.7 Å²	44.7	38%	0.382	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-41.3	-177.3	-179.5	64.2	0	0	0	111.6	Y538 P548 L579 M580	Y538-L576 HydrophobicContact CD1-CD1 4.11Å; Y538-L576 HydrophobicContact CD2-CB 4.08Å; Y538-L576 HydrophobicContact CE1-CD1 4.49Å; Y538-L576 HydrophobicContact CE2-CB 3.91Å; Y538-L576 HydrophobicContact CG-CB 4.46Å; Y538-L576 HydrophobicContact CG-CD1 4.19Å; P548-L576 HydrophobicContact CB-CD1 3.64Å; P548-L576 HydrophobicContact CG-CD1 3.71Å; L576-L579 PolarHBondContact O-N 2.87Å; L576-M580 HydrophobicContact CD1-CG 4.23Å; L576-M580 HydrophobicContact CG-CG 4.39Å; L576-M580 WeakPolarHBondContact O-CB 3.21Å; L576-M580 WeakPolarHBondContact O-CG 3.1Å; L576-M580 PolarHBondContact O-N 2.87Å
577	G	90.9	Very high	91.8	Very high	57 Å²	57	47.3 Å²	47.3	59%	0.588	25%	0.252	S	S	*	.	H	α-helix	trans	-64.2	-43.7	-178.8	0	0	0	0	0	113	E575 M580 N581	E575-G577 VanDerWaalsContact C-N 3.31Å; E575-G577 PolarHBondContact O-N 3.37Å; G577-M580 PolarHBondContact O-N 2.8Å; G577-N581 WeakPolarHBondContact O-CB 3.14Å; G577-N581 PolarHBondContact O-N 3.31Å
578	E	90.4	Very high	91.7	Very high	55 Å²	55	50.3 Å²	50.3	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-43.9	177.6	-61.6	-176.9	154.3	0	0	111.5	D439 E575 M580 N581 Y582	D439-E578 HydrophobicContact CB-CB 4.11Å; E575-E578 HydrophobicContact CB-CB 4.12Å; E575-E578 HydrophobicContact CB-CG 3.84Å; E575-E578 PolarHBondContact O-N 2.67Å; E578-M580 VanDerWaalsContact C-N 3.33Å; E578-M580 PolarHBondContact O-N 2.81Å; E578-N581 PolarHBondContact O-N 2.8Å; E578-Y582 WeakPolarHBondContact O-CB 3.32Å; E578-Y582 PolarHBondContact O-N 2.79Å
579	L	90.8	Very high	91.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-40.7	177.5	-170	63.5	0	0	0	111.6	H440 P548 E575 L576 Y582 S583	H440-L579 HydrophobicContact CB-CD1 3.97Å; P548-L579 HydrophobicContact CB-CD2 4Å; P548-L579 HydrophobicContact CG-CD2 4.03Å; E575-L579 PolarHBondContact O-N 3.08Å; E575-L579 VanDerWaalsContact O-N 3.15Å; L576-L579 PolarHBondContact O-N 2.87Å; L579-Y582 PolarHBondContact O-N 2.88Å; L579-S583 PolarHBondContact O-N 3.02Å
580	M	90.8	Very high	91.5	Very high	70 Å²	70	61.6 Å²	61.6	35%	0.345	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-42.1	174.5	-71	-66.4	-72.6	0	0	112	P548 L576 G577 E578 S583 Q584	P548-M580 WeakPolarHBondContact CD-SD 3.36Å; P548-M580 HydrophobicContact CG-CG 4.33Å; P548-M580 HydrophobicContact CG-SD 3.7Å; L576-M580 HydrophobicContact CD1-CG 4.23Å; L576-M580 HydrophobicContact CG-CG 4.39Å; L576-M580 WeakPolarHBondContact O-CB 3.21Å; L576-M580 WeakPolarHBondContact O-CG 3.1Å; L576-M580 PolarHBondContact O-N 2.87Å; G577-M580 PolarHBondContact O-N 2.8Å; E578-M580 VanDerWaalsContact C-N 3.33Å; E578-M580 PolarHBondContact O-N 2.81Å; M580-S583 WeakPolarHBondContact O-CB 3.37Å; M580-S583 PolarHBondContact O-N 3.25Å; M580-S583 PolarHBondContact O-OG 3.32Å; M580-Q584 PolarHBondContact O-N 3.17Å
581	N	91	Very high	91.4	Very high	104 Å²	104	63.5 Å²	63.5	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-62.1	-43.9	175.8	-172.2	36.3	0	0	0	111.4	G577 E578 S583 Q584	G577-N581 WeakPolarHBondContact O-CB 3.14Å; G577-N581 PolarHBondContact O-N 3.31Å; E578-N581 PolarHBondContact O-N 2.8Å; N581-S583 VanDerWaalsContact C-N 3.32Å; N581-S583 PolarHBondContact O-N 2.96Å; N581-Q584 WeakPolarHBondContact O-CB 3.41Å; N581-Q584 PolarHBondContact O-N 2.92Å
582	Y	89.2	Confident	91.2	Very high	64 Å²	64	65 Å²	65	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-41.5	175.7	-180	-104.8	0	0	0	111.7	H440 Y571 E578 L579 Q584 T585 L586	H440-Y582 AromaticContact CE1-CD1 3.59Å; H440-Y582 AromaticContact CE1-CD2 3.41Å; H440-Y582 VanDerWaalsContact CE1-CD2 3.41Å; H440-Y582 WeakPolarHBondContact CE1-CD2 3.32Å; H440-Y582 AromaticContact CE1-CE1 3.57Å; H440-Y582 AromaticContact CE1-CE2 3.38Å; H440-Y582 WeakPolarHBondContact CE1-CE2 3.45Å; H440-Y582 AromaticContact CE1-CG 3.51Å; H440-Y582 AromaticContact CE1-CZ 3.46Å; H440-Y582 VanDerWaalsContact CE1-CZ 3.46Å; H440-Y582 AromaticContact ND1-CD1 3.92Å; H440-Y582 AromaticContact ND1-CG 3.78Å; H440-Y582 AromaticContact NE2-CD1 3.93Å; H440-Y582 AromaticContact NE2-CE1 3.51Å; H440-Y582 AromaticContact NE2-CE2 3.87Å; H440-Y582 AromaticContact NE2-CZ 3.46Å; Y571-Y582 HydrophobicContact CD1-CD1 4.44Å; Y571-Y582 AromaticContact CD1-CE1 3.88Å; Y571-Y582 HydrophobicContact CD1-CE1 3.88Å; Y571-Y582 HydrophobicContact CE1-CD1 4.46Å; Y571-Y582 AromaticContact CE1-CE1 3.52Å; Y571-Y582 HydrophobicContact CE1-CE1 3.52Å; E578-Y582 WeakPolarHBondContact O-CB 3.32Å; E578-Y582 PolarHBondContact O-N 2.79Å; L579-Y582 PolarHBondContact O-N 2.88Å; Y582-Q584 PolarHBondContact O-N 2.84Å; Y582-Q584 VanDerWaalsContact O-N 3.16Å; Y582-T585 WeakPolarHBondContact O-CB 3.21Å; Y582-T585 PolarHBondContact O-N 2.82Å; Y582-T585 PolarHBondContact O-OG1 2.87Å; Y582-L586 HydrophobicContact CD1-CD1 4.3Å; Y582-L586 HydrophobicContact CE1-CD1 3.92Å; Y582-L586 HydrophobicContact CE1-CD2 3.98Å; Y582-L586 HydrophobicContact CE1-CG 4.09Å
583	S	86.9	Confident	91	Very high	18 Å²	18	70.2 Å²	70.2	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-32.6	177	78.3	0	0	0	0	113.4	L579 M580 N581 T585 L586	L579-S583 PolarHBondContact O-N 3.02Å; M580-S583 WeakPolarHBondContact O-CB 3.37Å; M580-S583 PolarHBondContact O-N 3.25Å; M580-S583 PolarHBondContact O-OG 3.32Å; N581-S583 VanDerWaalsContact C-N 3.32Å; N581-S583 PolarHBondContact O-N 2.96Å; S583-T585 PolarHBondContact O-N 2.64Å; S583-L586 PolarHBondContact O-N 3.31Å
584	Q	88	Confident	90.8	Very high	143 Å²	143	70.9 Å²	70.9	67%	0.668	38%	0.383	S	S	*	.	H	α-helix	trans	-70.8	-19.7	177.4	-65.2	173.9	3.2	0	0	113.2	M580 N581 Y582	M580-Q584 PolarHBondContact O-N 3.17Å; N581-Q584 WeakPolarHBondContact O-CB 3.41Å; N581-Q584 PolarHBondContact O-N 2.92Å; Y582-Q584 PolarHBondContact O-N 2.84Å; Y582-Q584 VanDerWaalsContact O-N 3.16Å
585	T	89.6	Confident	90.5	Very high	81 Å²	81	73 Å²	73	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-85.9	-11.5	176.6	72.7	0	0	0	0	112.7	Y582 S583 H587	Y582-T585 WeakPolarHBondContact O-CB 3.21Å; Y582-T585 PolarHBondContact O-N 2.82Å; Y582-T585 PolarHBondContact O-OG1 2.87Å; S583-T585 PolarHBondContact O-N 2.64Å; T585-H587 PolarHBondContact O-N 2.76Å
586	L	87.9	Confident	90.2	Very high	25 Å²	25	72.8 Å²	72.8	13%	0.131	41%	0.409	C	S	.	.			trans	-83	112.1	178.2	-63.5	176.4	0	0	0	110.5	A543 Y571 Y582 S583	A543-L586 HydrophobicContact CB-CB 4.14Å; A543-L586 HydrophobicContact CB-CD1 4.05Å; Y571-L586 HydrophobicContact CE2-CD1 3.92Å; Y582-L586 HydrophobicContact CD1-CD1 4.3Å; Y582-L586 HydrophobicContact CE1-CD1 3.92Å; Y582-L586 HydrophobicContact CE1-CD2 3.98Å; Y582-L586 HydrophobicContact CE1-CG 4.09Å; S583-L586 PolarHBondContact O-N 3.31Å
587	H	88.4	Confident	89.9	Confident	161 Å²	161	70.3 Å²	70.3	75%	0.745	40%	0.397	S	S	*	.			trans	-88.1	117.4	173.9	-63.7	-65.6	0	0	0	110.8	T585	T585-H587 PolarHBondContact O-N 2.76Å
588	Y	90.5	Very high	89.5	Confident	98 Å²	98	74.7 Å²	74.7	38%	0.384	40%	0.396	S	S	.	.			trans	-133.1	151.2	171	66.8	-87.4	0	0	0	110.8	A543 I591	A543-Y588 HydrophobicContact CB-CD1 3.46Å; A543-Y588 VanDerWaalsContact CB-CD1 3.46Å; A543-Y588 HydrophobicContact CB-CE1 3.89Å; A543-Y588 HydrophobicContact CB-CG 4.14Å; Y588-I591 HydrophobicContact CD2-CD1 3.78Å; Y588-I591 HydrophobicContact CD2-CG1 3.58Å; Y588-I591 HydrophobicContact CE1-CD1 4.31Å; Y588-I591 HydrophobicContact CE2-CD1 3.39Å; Y588-I591 HydrophobicContact CE2-CG1 3.61Å; Y588-I591 HydrophobicContact CG-CD1 4.39Å; Y588-I591 HydrophobicContact CG-CG1 4.34Å
589	V	92.1	Very high	89	Confident	126 Å²	126	75 Å²	75	76%	0.764	40%	0.397	S	S	*	.	S	Bend	trans	-91.1	-47.4	178.1	179.5	0	0	0	0	110.1	I564	I564-V589 WeakPolarHBondContact O-CB 3.48Å; I564-V589 PolarHBondContact O-N 3.3Å
590	E	93.2	Very high	88.7	Confident	116 Å²	116	78 Å²	78	54%	0.542	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.7	-173.8	-173.4	176.2	-176.8	0	0	110	S563 I564	S563-E590 CarbonylContact C-O 3.57Å; S563-E590 VanDerWaalsContact CA-O 3.32Å; S563-E590 WeakPolarHBondContact CA-O 3.17Å; I564-E590 PolarHBondContact N-O 2.74Å
591	I	93.7	Very high	88.4	Confident	40 Å²	40	76.6 Å²	76.6	21%	0.205	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122	171.3	-63.4	177.1	0	0	0	107.7	Y545 T561 Y588	Y545-I591 HydrophobicContact CD1-CD1 3.49Å; Y545-I591 VanDerWaalsContact CD1-CD1 3.49Å; Y545-I591 HydrophobicContact CD1-CG2 4.13Å; Y545-I591 HydrophobicContact CD2-CD1 4.25Å; Y545-I591 HydrophobicContact CE1-CD1 4.42Å; Y545-I591 HydrophobicContact CE1-CG2 4.06Å; Y545-I591 HydrophobicContact CG-CD1 3.37Å; T561-I591 HydrophobicContact CG2-CG2 4.29Å; Y588-I591 HydrophobicContact CD2-CD1 3.78Å; Y588-I591 HydrophobicContact CD2-CG1 3.58Å; Y588-I591 HydrophobicContact CE1-CD1 4.31Å; Y588-I591 HydrophobicContact CE2-CD1 3.39Å; Y588-I591 HydrophobicContact CE2-CG1 3.61Å; Y588-I591 HydrophobicContact CG-CD1 4.39Å; Y588-I591 HydrophobicContact CG-CG1 4.34Å
592	S	93.2	Very high	88.2	Confident	39 Å²	39	71.7 Å²	71.7	27%	0.273	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	157.4	177.5	54.6	0	0	0	0	110.3	T561 V562 G594	T561-S592 CarbonylContact C-O 3.49Å; T561-S592 WeakPolarHBondContact CA-O 3.17Å; V562-S592 PolarHBondContact N-O 3.02Å; V562-S592 PolarHBondContact O-N 3.49Å; S592-G594 PolarHBondContact O-N 2.93Å
593	P	91.3	Very high	87.8	Confident	111 Å²	111	69 Å²	69	72%	0.721	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.2	139.6	164.2	-22.5	33.7	0	0	0	109.7
594	G	89.2	Confident	87.8	Confident	15 Å²	15	70.8 Å²	70.8	16%	0.155	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.7	152.5	-179.5	0	0	0	0	0	112.2	F560 S592	F560-G594 VanDerWaalsContact CE1-C 3.44Å; F560-G594 VanDerWaalsContact CE1-CA 3.42Å; F560-G594 PolarHBondContact O-N 2.79Å; S592-G594 PolarHBondContact O-N 2.93Å
595	P	89.2	Confident	87.8	Confident	54 Å²	54	65.1 Å²	65.1	35%	0.351	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-62.1	143.1	-175	26.2	-34.8	0	0	0	111.2	P447 F560	P447-P595 HydrophobicContact CB-CG 4.01Å; F560-P595 WeakPolarHBondContact CE1-O 3.19Å
596	A	84.9	Confident	87.6	Confident	79 Å²	79	66.2 Å²	66.2	65%	0.653	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-61.2	134.1	170.1	0	0	0	0	0	109.5	R598	A596-R598 PolarHBondContact O-N 3.39Å
597	P	86.4	Confident	87.4	Confident	20 Å²	20	69.7 Å²	69.7	13%	0.13	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-54.4	137	174.9	-31.5	39.4	0	0	0	112.2	L474 V489 H599 I602	L474-P597 HydrophobicContact CD2-CG 3.97Å; V489-P597 HydrophobicContact CG2-CG 3.37Å; P597-H599 PolarHBondContact O-N 2.91Å; P597-I602 HydrophobicContact CB-CD1 3.37Å; P597-I602 HydrophobicContact CB-CG1 4.11Å; P597-I602 HydrophobicContact CG-CD1 4.47Å
598	R	83.8	Confident	87.2	Confident	150 Å²	150	62.4 Å²	62.4	57%	0.566	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-62.7	122.1	179.7	-81.9	-173.9	61	169.2	0.6	111.9	A596 D600 I601 I602	A596-R598 PolarHBondContact O-N 3.39Å; R598-D600 WeakPolarHBondContact CB-OD1 3.45Å; R598-D600 IonicContact CZ-OD1 3.88Å; R598-D600 IonicContact CZ-OD2 3.82Å; R598-D600 IonicContact NE-OD1 2.76Å; R598-D600 PolarHBondContact NE-OD1 3.18Å; R598-D600 IonicContact NE-OD2 3.76Å; R598-D600 IonicContact NH2-OD1 2.67Å; R598-D600 IonicContact NH2-OD2 3.24Å; R598-D600 PolarHBondContact NH2-OD2 3.41Å; R598-D600 PolarHBondContact O-N 3.24Å; R598-I601 HydrophobicContact CB-CB 4.11Å; R598-I601 HydrophobicContact CB-CD1 3.86Å; R598-I601 HydrophobicContact CB-CG1 3.92Å; R598-I601 HydrophobicContact CG-CD1 4.4Å; R598-I601 PolarHBondContact O-N 2.85Å; R598-I602 WeakPolarHBondContact O-CG1 3.38Å; R598-I602 PolarHBondContact O-N 2.8Å
599	H	80	Confident	86.5	Confident	61 Å²	61	64.1 Å²	64.1	28%	0.282	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-45.9	-175.7	166.2	57.8	0	0	0	113.6	P484 H485 P597 I601 I602 T603	P484-H599 WeakPolarHBondContact CB-ND1 3.38Å; P484-H599 WeakPolarHBondContact CG-CE1 3.47Å; P484-H599 WeakPolarHBondContact CG-ND1 3.35Å; H485-H599 AromaticContact CE1-CD2 3.95Å; P597-H599 PolarHBondContact O-N 2.91Å; H599-I601 VanDerWaalsContact C-N 3.26Å; H599-I601 PolarHBondContact O-N 3.16Å; H599-I602 PolarHBondContact O-N 2.56Å; H599-T603 WeakPolarHBondContact CE1-CG2 3.37Å; H599-T603 WeakPolarHBondContact O-CB 3.25Å; H599-T603 WeakPolarHBondContact O-CG2 3.43Å; H599-T603 PolarHBondContact O-N 3.42Å; H599-T603 PolarHBondContact O-OG1 3.47Å
600	D	82.5	Confident	85.5	Confident	64 Å²	64	60.4 Å²	60.4	34%	0.342	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-36.9	179.3	59.2	-38.5	0	0	0	111.6	R598 T603 L604	R598-D600 WeakPolarHBondContact CB-OD1 3.45Å; R598-D600 IonicContact CZ-OD1 3.88Å; R598-D600 IonicContact CZ-OD2 3.82Å; R598-D600 IonicContact NE-OD1 2.76Å; R598-D600 PolarHBondContact NE-OD1 3.18Å; R598-D600 IonicContact NE-OD2 3.76Å; R598-D600 IonicContact NH2-OD1 2.67Å; R598-D600 IonicContact NH2-OD2 3.24Å; R598-D600 PolarHBondContact NH2-OD2 3.41Å; R598-D600 PolarHBondContact O-N 3.24Å; D600-T603 WeakPolarHBondContact CA-OG1 3.39Å; D600-T603 PolarHBondContact O-OG1 2.86Å; D600-L604 VanDerWaalsContact O-CB 3.24Å; D600-L604 WeakPolarHBondContact O-CB 3.45Å; D600-L604 PolarHBondContact O-N 2.72Å; D600-L604 VanDerWaalsContact O-N 3.1Å
601	I	86	Confident	84.2	Confident	40 Å²	40	64.6 Å²	64.6	21%	0.205	34%	0.342	C	S	.	.	H	α-helix	trans	-71.7	-49.5	176.6	-60.1	-176.6	0	0	0	110.3	Y451 R598 H599 T603 L604 H605	Y451-I601 HydrophobicContact CD1-CG2 3.93Å; Y451-I601 HydrophobicContact CD2-CG2 4.19Å; Y451-I601 HydrophobicContact CG-CG2 3.71Å; R598-I601 HydrophobicContact CB-CB 4.11Å; R598-I601 HydrophobicContact CB-CD1 3.86Å; R598-I601 HydrophobicContact CB-CG1 3.92Å; R598-I601 HydrophobicContact CG-CD1 4.4Å; R598-I601 PolarHBondContact O-N 2.85Å; H599-I601 VanDerWaalsContact C-N 3.26Å; H599-I601 PolarHBondContact O-N 3.16Å; I601-T603 VanDerWaalsContact C-N 3.32Å; I601-T603 PolarHBondContact O-N 3.33Å; I601-L604 WeakPolarHBondContact O-CB 3.38Å; I601-L604 PolarHBondContact O-N 2.74Å; I601-H605 PolarHBondContact O-CD2 2.64Å; I601-H605 PolarHBondContact O-N 3.17Å
602	I	85.4	Confident	83.1	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-43.8	-179.7	-64.1	162.9	0	0	0	111.6	L474 M487 P597 R598 H599 L604 H605 R606	L474-I602 HydrophobicContact CD1-CG1 4.41Å; M487-I602 HydrophobicContact CB-CD1 4.13Å; M487-I602 HydrophobicContact CE-CD1 4.33Å; M487-I602 HydrophobicContact CE-CG2 3.57Å; M487-I602 HydrophobicContact CG-CD1 4.23Å; M487-I602 HydrophobicContact SD-CD1 3.61Å; M487-I602 HydrophobicContact SD-CG2 3.75Å; P597-I602 HydrophobicContact CB-CD1 3.37Å; P597-I602 HydrophobicContact CB-CG1 4.11Å; P597-I602 HydrophobicContact CG-CD1 4.47Å; R598-I602 WeakPolarHBondContact O-CG1 3.38Å; R598-I602 PolarHBondContact O-N 2.8Å; H599-I602 PolarHBondContact O-N 2.56Å; I602-L604 VanDerWaalsContact C-N 3.32Å; I602-L604 PolarHBondContact O-N 2.9Å; I602-H605 PolarHBondContact O-N 3.44Å; I602-R606 HydrophobicContact CG2-CG 4.16Å; I602-R606 WeakPolarHBondContact O-CB 3.35Å; I602-R606 WeakPolarHBondContact O-CG 3.35Å; I602-R606 PolarHBondContact O-N 2.67Å
603	T	82.5	Confident	81.9	Confident	8 Å²	8	63.9 Å²	63.9	5%	0.049	35%	0.351	C	S	.	.	H	α-helix	trans	-63.5	-40	177.7	46.7	0	0	0	0	111.8	H599 D600 I601 H605 R606 H607 H609 A610	H599-T603 WeakPolarHBondContact CE1-CG2 3.37Å; H599-T603 WeakPolarHBondContact O-CB 3.25Å; H599-T603 WeakPolarHBondContact O-CG2 3.43Å; H599-T603 PolarHBondContact O-N 3.42Å; H599-T603 PolarHBondContact O-OG1 3.47Å; D600-T603 WeakPolarHBondContact CA-OG1 3.39Å; D600-T603 PolarHBondContact O-OG1 2.86Å; I601-T603 VanDerWaalsContact C-N 3.32Å; I601-T603 PolarHBondContact O-N 3.33Å; T603-H605 VanDerWaalsContact C-N 3.33Å; T603-H605 PolarHBondContact O-N 2.88Å; T603-R606 PolarHBondContact O-N 2.96Å; T603-H607 WeakPolarHBondContact O-CB 3.36Å; T603-H607 PolarHBondContact O-N 3.35Å; T603-H609 CarbonylContact C-O 3.5Å; T603-A610 PolarHBondContact OG1-O 2.79Å; T603-A610 VanDerWaalsContact OG1-O 3.13Å
604	L	86.2	Confident	81	Confident	55 Å²	55	63.1 Å²	63.1	29%	0.288	34%	0.34	S	S	.	.	H	α-helix	trans	-58.1	-45	172.2	-177.2	67.8	0	0	0	111.6	A330 D600 I601 I602 G608	A330-L604 HydrophobicContact CB-CD2 4.25Å; A330-L604 HydrophobicContact CB-CG 3.78Å; A330-L604 PolarHBondContact N-O 2.77Å; D600-L604 VanDerWaalsContact O-CB 3.24Å; D600-L604 WeakPolarHBondContact O-CB 3.45Å; D600-L604 PolarHBondContact O-N 2.72Å; D600-L604 VanDerWaalsContact O-N 3.1Å; I601-L604 WeakPolarHBondContact O-CB 3.38Å; I601-L604 PolarHBondContact O-N 2.74Å; I602-L604 VanDerWaalsContact C-N 3.32Å; I602-L604 PolarHBondContact O-N 2.9Å; L604-G608 WeakPolarHBondContact CD1-O 3.27Å; L604-G608 WeakPolarHBondContact O-CA 3.43Å; L604-G608 PolarHBondContact O-N 3.14Å
605	H	87.6	Confident	80.3	Confident	23 Å²	23	66.4 Å²	66.4	11%	0.106	36%	0.359	C	S	.	.	H	α-helix	trans	-69.9	-38.6	177.6	-77.2	-79.6	0	0	0	112.9	S328 Y329 Y451 I601 I602 T603	S328-H605 CarbonylContact C-O 3.55Å; S328-H605 VanDerWaalsContact CA-O 3.3Å; S328-H605 WeakPolarHBondContact CA-O 3.35Å; S328-H605 PolarHBondContact OG-ND1 2.86Å; Y329-H605 PolarHBondContact N-O 3.32Å; Y451-H605 AromaticContact CD2-CD2 3.35Å; Y451-H605 WeakPolarHBondContact CD2-CD2 3.38Å; Y451-H605 AromaticContact CD2-CE1 3.83Å; Y451-H605 AromaticContact CD2-CG 3.84Å; Y451-H605 AromaticContact CD2-NE2 3.37Å; Y451-H605 WeakPolarHBondContact CD2-NE2 3.43Å; Y451-H605 AromaticContact CE2-CD2 3.73Å; Y451-H605 AromaticContact CE2-CE1 3.4Å; Y451-H605 WeakPolarHBondContact CE2-CE1 3.24Å; Y451-H605 AromaticContact CE2-ND1 3.96Å; Y451-H605 AromaticContact CE2-NE2 3.22Å; Y451-H605 WeakPolarHBondContact CE2-NE2 3.45Å; Y451-H605 AromaticContact CZ-NE2 3.97Å; I601-H605 PolarHBondContact O-CD2 2.64Å; I601-H605 PolarHBondContact O-N 3.17Å; I602-H605 PolarHBondContact O-N 3.44Å; T603-H605 VanDerWaalsContact C-N 3.33Å; T603-H605 PolarHBondContact O-N 2.88Å
606	R	86.2	Confident	79.6	Confident	104 Å²	104	72.7 Å²	72.7	39%	0.392	38%	0.375	S	S	.	.	H	α-helix	trans	-78.8	-28.2	-178.6	-74.8	-172.8	175.5	-174.2	0.4	114.6	Y329 M487 I602 T603	Y329-R606 WeakPolarHBondContact CD2-O 3.34Å; Y329-R606 WeakPolarHBondContact CE2-O 3.44Å; M487-R606 VanDerWaalsContact CE-NH1 3.3Å; I602-R606 HydrophobicContact CG2-CG 4.16Å; I602-R606 WeakPolarHBondContact O-CB 3.35Å; I602-R606 WeakPolarHBondContact O-CG 3.35Å; I602-R606 PolarHBondContact O-N 2.67Å; T603-R606 PolarHBondContact O-N 2.96Å
607	H	84.1	Confident	79.3	Confident	98 Å²	98	73.8 Å²	73.8	45%	0.454	37%	0.37	S	S	.	.	H	α-helix	trans	-129.5	-9	-170.8	-56.8	-62.5	0	0	0	114.4	T603 H609 G613	T603-H607 WeakPolarHBondContact O-CB 3.36Å; T603-H607 PolarHBondContact O-N 3.35Å; H607-H609 VanDerWaalsContact C-N 3.25Å; H607-H609 PolarHBondContact O-N 3.2Å; H607-G613 PolarHBondContact CD2-N 2.94Å; H607-G613 VanDerWaalsContact CG-N 3.33Å
608	G	83	Confident	79.3	Confident	9 Å²	9	77.1 Å²	77.1	9%	0.093	38%	0.382	C	S	.	.	S	Bend	trans	84	-5.5	179.5	0	0	0	0	0	114.4	Y329 L604	Y329-G608 WeakPolarHBondContact O-CA 3.33Å; L604-G608 WeakPolarHBondContact CD1-O 3.27Å; L604-G608 WeakPolarHBondContact O-CA 3.43Å; L604-G608 PolarHBondContact O-N 3.14Å
609	H	75.6	Confident	79.4	Confident	133 Å²	133	76.6 Å²	76.6	62%	0.616	38%	0.381	S	S	*	.	S	Bend	trans	-139.4	144.5	177.9	-62	-60.3	0	0	0	111.2	T603 H607 F611 G612	T603-H609 CarbonylContact C-O 3.5Å; H607-H609 VanDerWaalsContact C-N 3.25Å; H607-H609 PolarHBondContact O-N 3.2Å; H609-F611 PolarHBondContact O-N 2.73Å; H609-G612 PolarHBondContact O-N 3.47Å
610	A	70.6	Confident	80	Confident	49 Å²	49	77.9 Å²	77.9	41%	0.405	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.6	-177.7	0	0	0	0	0	114.1	T603 G612	T603-A610 PolarHBondContact OG1-O 2.79Å; T603-A610 VanDerWaalsContact OG1-O 3.13Å; A610-G612 VanDerWaalsContact C-N 3.28Å
611	F	67.6	Low	80.5	Confident	204 Å²	204	78.3 Å²	78.3	90%	0.895	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.3	176.4	-59.6	-68.1	0	0	0	113.4	H609	H609-F611 PolarHBondContact O-N 2.73Å
612	G	68.9	Low	80.8	Confident	18 Å²	18	79.3 Å²	79.3	19%	0.186	40%	0.402	C	S	.	.			trans	72.8	-174.2	-175.3	0	0	0	0	0	114.1	H609 A610	H609-G612 PolarHBondContact O-N 3.47Å; A610-G612 VanDerWaalsContact C-N 3.28Å
613	G	68.8	Low	81.3	Confident	46 Å²	46	84 Å²	84	47%	0.474	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-85.8	130.3	173.6	0	0	0	0	0	111.3	H607	H607-G613 PolarHBondContact CD2-N 2.94Å; H607-G613 VanDerWaalsContact CG-N 3.33Å
614	L	73.1	Confident	81.9	Confident	95 Å²	95	88.6 Å²	88.6	50%	0.497	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-61.8	136.3	172.6	-76.2	118.9	0	0	0	110.1	F618	L614-F618 HydrophobicContact CB-CB 4.08Å; L614-F618 HydrophobicContact CB-CD1 3.81Å; L614-F618 HydrophobicContact CB-CG 4.01Å; L614-F618 HydrophobicContact CD1-CD1 4.47Å; L614-F618 HydrophobicContact CD1-CE1 4.35Å; L614-F618 HydrophobicContact CD2-CB 4.14Å; L614-F618 HydrophobicContact CD2-CD1 3.65Å; L614-F618 HydrophobicContact CD2-CD2 3.5Å; L614-F618 VanDerWaalsContact CD2-CD2 3.5Å; L614-F618 HydrophobicContact CD2-CE1 3.84Å; L614-F618 HydrophobicContact CD2-CE2 3.69Å; L614-F618 HydrophobicContact CD2-CG 3.47Å; L614-F618 VanDerWaalsContact CD2-CG 3.47Å; L614-F618 HydrophobicContact CD2-CZ 3.86Å; L614-F618 HydrophobicContact CG-CD1 4.17Å; L614-F618 HydrophobicContact CG-CE1 4.45Å; L614-F618 HydrophobicContact CG-CG 4.32Å
615	P	73	Confident	82.4	Confident	84 Å²	84	91.2 Å²	91.2	55%	0.545	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-54.5	149.5	-179.7	-24.5	32.2	0	0	0	112	L617 F618	P615-L617 PolarHBondContact O-N 3.42Å; P615-F618 VanDerWaalsContact O-CB 3.26Å; P615-F618 WeakPolarHBondContact O-CB 2.97Å; P615-F618 PolarHBondContact O-N 3.19Å
616	W	74.4	Confident	82.8	Confident	185 Å²	185	94.1 Å²	94.1	70%	0.701	48%	0.483	S	S	*	.	H	α-helix	trans	-52.1	-31	173.9	71	-74.9	0	0	0	113.1	F618 W619 I620	W616-F618 VanDerWaalsContact C-N 3.33Å; W616-F618 PolarHBondContact O-N 2.86Å; W616-W619 PolarHBondContact O-N 2.96Å; W616-I620 HydrophobicContact CD2-CD1 4.27Å; W616-I620 HydrophobicContact CE3-CD1 3.19Å; W616-I620 HydrophobicContact CE3-CG1 4.26Å; W616-I620 HydrophobicContact CH2-CD1 4.05Å; W616-I620 HydrophobicContact CZ3-CD1 3.07Å; W616-I620 HydrophobicContact CZ3-CG1 4.47Å; W616-I620 PolarHBondContact O-N 2.98Å; W616-I620 VanDerWaalsContact O-N 3.07Å
617	L	79.5	Confident	83.3	Confident	103 Å²	103	91.5 Å²	91.5	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-61.5	-34.3	173.2	-69.8	174.9	0	0	0	113.9	P615 W619 I620 S621	P615-L617 PolarHBondContact O-N 3.42Å; L617-W619 VanDerWaalsContact C-N 3.32Å; L617-I620 PolarHBondContact O-N 2.85Å; L617-S621 WeakPolarHBondContact O-CB 3.48Å; L617-S621 PolarHBondContact O-N 2.85Å
618	F	85.7	Confident	83.8	Confident	89 Å²	89	89.9 Å²	89.9	39%	0.39	48%	0.478	S	S	.	.	H	α-helix	trans	-61.7	-44.3	174.3	172.4	-93.6	0	0	0	110.5	L614 P615 W616 I620 S621 L622	L614-F618 HydrophobicContact CB-CB 4.08Å; L614-F618 HydrophobicContact CB-CD1 3.81Å; L614-F618 HydrophobicContact CB-CG 4.01Å; L614-F618 HydrophobicContact CD1-CD1 4.47Å; L614-F618 HydrophobicContact CD1-CE1 4.35Å; L614-F618 HydrophobicContact CD2-CB 4.14Å; L614-F618 HydrophobicContact CD2-CD1 3.65Å; L614-F618 HydrophobicContact CD2-CD2 3.5Å; L614-F618 VanDerWaalsContact CD2-CD2 3.5Å; L614-F618 HydrophobicContact CD2-CE1 3.84Å; L614-F618 HydrophobicContact CD2-CE2 3.69Å; L614-F618 HydrophobicContact CD2-CG 3.47Å; L614-F618 VanDerWaalsContact CD2-CG 3.47Å; L614-F618 HydrophobicContact CD2-CZ 3.86Å; L614-F618 HydrophobicContact CG-CD1 4.17Å; L614-F618 HydrophobicContact CG-CE1 4.45Å; L614-F618 HydrophobicContact CG-CG 4.32Å; P615-F618 VanDerWaalsContact O-CB 3.26Å; P615-F618 WeakPolarHBondContact O-CB 2.97Å; P615-F618 PolarHBondContact O-N 3.19Å; W616-F618 VanDerWaalsContact C-N 3.33Å; W616-F618 PolarHBondContact O-N 2.86Å; F618-I620 VanDerWaalsContact C-N 3.34Å; F618-I620 PolarHBondContact O-N 3.46Å; F618-S621 WeakPolarHBondContact O-CB 3.43Å; F618-S621 PolarHBondContact O-N 3.38Å; F618-L622 HydrophobicContact CE1-CD2 4.37Å; F618-L622 WeakPolarHBondContact O-CB 3.42Å; F618-L622 PolarHBondContact O-N 3.46Å
619	W	87.3	Confident	84.4	Confident	140 Å²	140	95.5 Å²	95.5	53%	0.53	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-36.9	177.6	-61.9	107.5	0	0	0	112.1	W616 L617 L622 V623	W616-W619 PolarHBondContact O-N 2.96Å; L617-W619 VanDerWaalsContact C-N 3.32Å; W619-L622 HydrophobicContact CE3-CD2 3.84Å; W619-L622 HydrophobicContact CZ3-CD2 3.81Å; W619-L622 PolarHBondContact O-N 3.01Å; W619-V623 WeakPolarHBondContact O-CB 3.12Å; W619-V623 VanDerWaalsContact O-CG2 3.28Å; W619-V623 WeakPolarHBondContact O-CG2 3.11Å; W619-V623 PolarHBondContact O-N 3.34Å
620	I	91.2	Very high	85.3	Confident	87 Å²	87	94 Å²	94	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-46.1	172.4	-69.6	174.9	0	0	0	111.2	W616 L617 F618 L622 V623 L624	W616-I620 HydrophobicContact CD2-CD1 4.27Å; W616-I620 HydrophobicContact CE3-CD1 3.19Å; W616-I620 HydrophobicContact CE3-CG1 4.26Å; W616-I620 HydrophobicContact CH2-CD1 4.05Å; W616-I620 HydrophobicContact CZ3-CD1 3.07Å; W616-I620 HydrophobicContact CZ3-CG1 4.47Å; W616-I620 PolarHBondContact O-N 2.98Å; W616-I620 VanDerWaalsContact O-N 3.07Å; L617-I620 PolarHBondContact O-N 2.85Å; F618-I620 VanDerWaalsContact C-N 3.34Å; F618-I620 PolarHBondContact O-N 3.46Å; I620-L622 VanDerWaalsContact C-N 3.31Å; I620-L622 PolarHBondContact O-N 2.88Å; I620-V623 PolarHBondContact O-N 3.17Å; I620-L624 WeakPolarHBondContact O-CB 3.44Å; I620-L624 PolarHBondContact O-N 2.68Å
621	S	93.2	Very high	86.4	Confident	74 Å²	74	97.8 Å²	97.8	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-41	176.8	-175	0	0	0	0	111.7	L617 F618 L624 L625	L617-S621 WeakPolarHBondContact O-CB 3.48Å; L617-S621 PolarHBondContact O-N 2.85Å; F618-S621 WeakPolarHBondContact O-CB 3.43Å; F618-S621 PolarHBondContact O-N 3.38Å; S621-L624 PolarHBondContact O-N 2.84Å; S621-L625 WeakPolarHBondContact O-CB 3.33Å; S621-L625 PolarHBondContact O-N 3.08Å
622	L	93.5	Very high	87.7	Confident	61 Å²	61	94.2 Å²	94.2	32%	0.319	49%	0.488	S	S	.	.	H	α-helix	trans	-64.5	-46.3	176.6	-175.9	66.1	0	0	0	111.8	F618 W619 I620 L624 L625 I626	F618-L622 HydrophobicContact CE1-CD2 4.37Å; F618-L622 WeakPolarHBondContact O-CB 3.42Å; F618-L622 PolarHBondContact O-N 3.46Å; W619-L622 HydrophobicContact CE3-CD2 3.84Å; W619-L622 HydrophobicContact CZ3-CD2 3.81Å; W619-L622 PolarHBondContact O-N 3.01Å; I620-L622 VanDerWaalsContact C-N 3.31Å; I620-L622 PolarHBondContact O-N 2.88Å; L622-L624 VanDerWaalsContact C-N 3.33Å; L622-L624 PolarHBondContact O-N 2.83Å; L622-L625 PolarHBondContact O-N 3.19Å; L622-I626 HydrophobicContact CD1-CD1 4.36Å; L622-I626 HydrophobicContact CG-CD1 4.02Å; L622-I626 WeakPolarHBondContact O-CB 3.43Å; L622-I626 VanDerWaalsContact O-CG1 3.25Å; L622-I626 WeakPolarHBondContact O-CG1 3.28Å; L622-I626 PolarHBondContact O-N 2.82Å
623	V	95.6	Very high	88.8	Confident	99 Å²	99	98.5 Å²	98.5	60%	0.6	50%	0.502	S	S	*	.	H	α-helix	trans	-61.7	-42.5	176.1	169.9	0	0	0	0	110.9	W619 I620 I626 A627	W619-V623 WeakPolarHBondContact O-CB 3.12Å; W619-V623 VanDerWaalsContact O-CG2 3.28Å; W619-V623 WeakPolarHBondContact O-CG2 3.11Å; W619-V623 PolarHBondContact O-N 3.34Å; I620-V623 PolarHBondContact O-N 3.17Å; V623-I626 PolarHBondContact O-N 3.49Å; V623-A627 WeakPolarHBondContact O-CB 3.28Å; V623-A627 PolarHBondContact O-N 2.83Å
624	L	95.9	Very high	90	Very high	105 Å²	105	100 Å²	100	55%	0.55	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-46.3	175.2	-172.5	91.9	0	0	0	111.3	I620 S621 L622 I626 A627 I628	I620-L624 WeakPolarHBondContact O-CB 3.44Å; I620-L624 PolarHBondContact O-N 2.68Å; S621-L624 PolarHBondContact O-N 2.84Å; L622-L624 VanDerWaalsContact C-N 3.33Å; L622-L624 PolarHBondContact O-N 2.83Å; L624-I626 PolarHBondContact O-N 2.87Å; L624-A627 PolarHBondContact O-N 2.92Å; L624-I628 HydrophobicContact CD2-CD1 4.04Å; L624-I628 HydrophobicContact CG-CD1 3.94Å; L624-I628 WeakPolarHBondContact O-CB 3.27Å; L624-I628 VanDerWaalsContact O-CG1 3.27Å; L624-I628 WeakPolarHBondContact O-CG1 3.47Å; L624-I628 PolarHBondContact O-N 3.07Å
625	L	96	Very high	90.9	Very high	110 Å²	110	101.5 Å²	101.5	58%	0.576	51%	0.507	S	S	*	.	H	α-helix	trans	-61.9	-43.8	178.6	-177.5	68.2	0	0	0	111.5	S621 L622 I628 F629	S621-L625 WeakPolarHBondContact O-CB 3.33Å; S621-L625 PolarHBondContact O-N 3.08Å; L622-L625 PolarHBondContact O-N 3.19Å; L625-I628 PolarHBondContact O-N 2.9Å; L625-F629 WeakPolarHBondContact O-CB 3.22Å; L625-F629 PolarHBondContact O-N 2.72Å
626	I	95.6	Very high	91.6	Very high	83 Å²	83	102.8 Å²	102.8	43%	0.426	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-44.8	175.6	-68.9	167.6	0	0	0	110	L622 V623 L624 F629 H630	L622-I626 HydrophobicContact CD1-CD1 4.36Å; L622-I626 HydrophobicContact CG-CD1 4.02Å; L622-I626 WeakPolarHBondContact O-CB 3.43Å; L622-I626 VanDerWaalsContact O-CG1 3.25Å; L622-I626 WeakPolarHBondContact O-CG1 3.28Å; L622-I626 PolarHBondContact O-N 2.82Å; V623-I626 PolarHBondContact O-N 3.49Å; L624-I626 PolarHBondContact O-N 2.87Å; I626-F629 PolarHBondContact O-N 2.76Å; I626-H630 WeakPolarHBondContact CG2-ND1 2.98Å; I626-H630 PolarHBondContact O-N 2.86Å; I626-H630 PolarHBondContact O-ND1 2.83Å
627	A	95.9	Very high	92.3	Very high	49 Å²	49	97.5 Å²	97.5	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-44	177.9	0	0	0	0	0	112.1	V623 L624 H630 M631	V623-A627 WeakPolarHBondContact O-CB 3.28Å; V623-A627 PolarHBondContact O-N 2.83Å; L624-A627 PolarHBondContact O-N 2.92Å; A627-H630 PolarHBondContact O-N 2.95Å; A627-M631 WeakPolarHBondContact O-CG 3.35Å; A627-M631 PolarHBondContact O-N 3.46Å
628	I	95.5	Very high	92.7	Very high	64 Å²	64	98.9 Å²	98.9	33%	0.328	49%	0.492	S	S	.	.	H	α-helix	trans	-60.8	-46.6	175.7	-70.4	167.3	0	0	0	110.4	L624 L625 H630 M631 F632	L624-I628 HydrophobicContact CD2-CD1 4.04Å; L624-I628 HydrophobicContact CG-CD1 3.94Å; L624-I628 WeakPolarHBondContact O-CB 3.27Å; L624-I628 VanDerWaalsContact O-CG1 3.27Å; L624-I628 WeakPolarHBondContact O-CG1 3.47Å; L624-I628 PolarHBondContact O-N 3.07Å; L625-I628 PolarHBondContact O-N 2.9Å; I628-H630 VanDerWaalsContact C-N 3.35Å; I628-H630 PolarHBondContact O-N 2.95Å; I628-M631 HydrophobicContact CG1-CE 4.4Å; I628-M631 PolarHBondContact O-N 2.94Å; I628-F632 HydrophobicContact CG2-CD2 3.66Å; I628-F632 HydrophobicContact CG2-CE2 3.69Å; I628-F632 WeakPolarHBondContact O-CD2 3.3Å; I628-F632 PolarHBondContact O-N 2.89Å
629	F	95.7	Very high	92.6	Very high	128 Å²	128	98.1 Å²	98.1	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-56.9	-47	176.9	173.4	-95.8	0	0	0	111.9	L625 I626 M631 F632 F633	L625-F629 WeakPolarHBondContact O-CB 3.22Å; L625-F629 PolarHBondContact O-N 2.72Å; I626-F629 PolarHBondContact O-N 2.76Å; F629-M631 PolarHBondContact O-N 2.89Å; F629-F632 PolarHBondContact O-N 3Å; F629-F633 WeakPolarHBondContact O-CB 3.42Å; F629-F633 PolarHBondContact O-N 3.24Å
630	H	95.1	Very high	92.4	Very high	102 Å²	102	96.9 Å²	96.9	47%	0.472	49%	0.492	S	S	.	.	H	α-helix	trans	-65.1	-38.3	178	-73.7	84.5	0	0	0	112.1	I626 A627 I628 F632 F633 C634	I626-H630 WeakPolarHBondContact CG2-ND1 2.98Å; I626-H630 PolarHBondContact O-N 2.86Å; I626-H630 PolarHBondContact O-ND1 2.83Å; A627-H630 PolarHBondContact O-N 2.95Å; I628-H630 VanDerWaalsContact C-N 3.35Å; I628-H630 PolarHBondContact O-N 2.95Å; H630-F632 PolarHBondContact O-N 3.21Å; H630-F633 PolarHBondContact O-N 2.81Å; H630-C634 WeakPolarHBondContact O-CB 3.45Å; H630-C634 PolarHBondContact O-N 3Å; H630-C634 PolarHBondContact O-SG 2.83Å
631	M	93.9	Very high	91.9	Very high	127 Å²	127	97.8 Å²	97.8	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-61.9	-43.3	173.2	-74	-160.7	-65.7	0	0	112.3	A627 I628 F629 K635	A627-M631 WeakPolarHBondContact O-CG 3.35Å; A627-M631 PolarHBondContact O-N 3.46Å; I628-M631 HydrophobicContact CG1-CE 4.4Å; I628-M631 PolarHBondContact O-N 2.94Å; F629-M631 PolarHBondContact O-N 2.89Å; M631-K635 WeakPolarHBondContact O-CB 3.48Å; M631-K635 PolarHBondContact O-N 3.23Å
632	F	94.3	Very high	91	Very high	129 Å²	129	100.5 Å²	100.5	57%	0.566	50%	0.496	S	S	*	.	H	α-helix	trans	-63.7	-42.9	175.1	-89.6	-77.4	0	0	0	111.9	I628 F629 H630 K635 I636	I628-F632 HydrophobicContact CG2-CD2 3.66Å; I628-F632 HydrophobicContact CG2-CE2 3.69Å; I628-F632 WeakPolarHBondContact O-CD2 3.3Å; I628-F632 PolarHBondContact O-N 2.89Å; F629-F632 PolarHBondContact O-N 3Å; H630-F632 PolarHBondContact O-N 3.21Å; F632-K635 WeakPolarHBondContact O-CB 3.46Å; F632-K635 PolarHBondContact O-N 3.04Å; F632-I636 WeakPolarHBondContact O-CG1 3.42Å; F632-I636 PolarHBondContact O-N 3.1Å
633	F	92	Very high	89.6	Confident	108 Å²	108	101.6 Å²	101.6	47%	0.474	50%	0.503	S	S	.	.	H	α-helix	trans	-62.8	-47	177.3	-172.9	-106.9	0	0	0	111.8	F629 H630 K635 I636 I637	F629-F633 WeakPolarHBondContact O-CB 3.42Å; F629-F633 PolarHBondContact O-N 3.24Å; H630-F633 PolarHBondContact O-N 2.81Å; F633-K635 VanDerWaalsContact C-N 3.29Å; F633-K635 PolarHBondContact O-N 3.45Å; F633-I636 PolarHBondContact O-N 3.1Å; F633-I637 HydrophobicContact CD1-CD1 3.76Å; F633-I637 HydrophobicContact CE1-CD1 3.31Å; F633-I637 HydrophobicContact CE1-CG1 4.33Å; F633-I637 HydrophobicContact CZ-CD1 3.75Å; F633-I637 HydrophobicContact CZ-CG1 4.46Å; F633-I637 PolarHBondContact O-N 3.03Å
634	C	94	Very high	87.8	Confident	78 Å²	78	103.3 Å²	103.3	53%	0.527	50%	0.502	S	S	.	.	H	α-helix	trans	-59	-40	173.1	-71.9	0	0	0	0	111.9	H630 I637 Y638	H630-C634 WeakPolarHBondContact O-CB 3.45Å; H630-C634 PolarHBondContact O-N 3Å; H630-C634 PolarHBondContact O-SG 2.83Å; C634-I637 PolarHBondContact O-N 3.42Å; C634-Y638 VanDerWaalsContact O-CB 3.23Å; C634-Y638 WeakPolarHBondContact O-CB 3.21Å; C634-Y638 PolarHBondContact O-N 3.42Å
635	K	91	Very high	85.9	Confident	126 Å²	126	104.1 Å²	104.1	55%	0.548	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-41.1	176.1	-176.8	179	179.2	179.2	0	112.3	M631 F632 F633 Y638 N639	M631-K635 WeakPolarHBondContact O-CB 3.48Å; M631-K635 PolarHBondContact O-N 3.23Å; F632-K635 WeakPolarHBondContact O-CB 3.46Å; F632-K635 PolarHBondContact O-N 3.04Å; F633-K635 VanDerWaalsContact C-N 3.29Å; F633-K635 PolarHBondContact O-N 3.45Å; K635-Y638 PolarHBondContact O-N 2.89Å; K635-N639 WeakPolarHBondContact O-CB 3.46Å; K635-N639 VanDerWaalsContact O-CG 3.27Å; K635-N639 PolarHBondContact O-N 3.1Å
636	I	89.2	Confident	83.8	Confident	111 Å²	111	105.6 Å²	105.6	57%	0.569	51%	0.511	S	S	*	.	H	α-helix	trans	-64.5	-47.6	176.1	-69.5	168.7	0	0	0	110.3	F632 F633 Y638 N639 E640	F632-I636 WeakPolarHBondContact O-CG1 3.42Å; F632-I636 PolarHBondContact O-N 3.1Å; F633-I636 PolarHBondContact O-N 3.1Å; I636-Y638 VanDerWaalsContact C-N 3.33Å; I636-Y638 PolarHBondContact O-N 2.85Å; I636-N639 PolarHBondContact O-N 2.69Å; I636-E640 PolarHBondContact O-N 3.44Å
637	I	87.9	Confident	81.6	Confident	75 Å²	75	109 Å²	109	39%	0.385	52%	0.523	S	S	.	.	H	α-helix	trans	-58.5	-47.2	176.4	-70.3	176	0	0	0	110.7	F633 C634 N639 E640 L641	F633-I637 HydrophobicContact CD1-CD1 3.76Å; F633-I637 HydrophobicContact CE1-CD1 3.31Å; F633-I637 HydrophobicContact CE1-CG1 4.33Å; F633-I637 HydrophobicContact CZ-CD1 3.75Å; F633-I637 HydrophobicContact CZ-CG1 4.46Å; F633-I637 PolarHBondContact O-N 3.03Å; C634-I637 PolarHBondContact O-N 3.42Å; I637-N639 VanDerWaalsContact C-N 3.33Å; I637-N639 PolarHBondContact O-N 3.37Å; I637-E640 PolarHBondContact O-N 3.46Å; I637-L641 HydrophobicContact CG2-CD1 3.77Å; I637-L641 HydrophobicContact CG2-CG 4.35Å; I637-L641 WeakPolarHBondContact O-CB 3.27Å; I637-L641 WeakPolarHBondContact O-CG 3.31Å; I637-L641 PolarHBondContact O-N 3.36Å
638	Y	87.6	Confident	79.2	Confident	131 Å²	131	115.8 Å²	115.8	51%	0.514	54%	0.543	S	S	.	.	H	α-helix	trans	-59.1	-44.6	177.8	177.6	-96.4	0	0	0	111.7	C634 K635 I636 R642	C634-Y638 VanDerWaalsContact O-CB 3.23Å; C634-Y638 WeakPolarHBondContact O-CB 3.21Å; C634-Y638 PolarHBondContact O-N 3.42Å; K635-Y638 PolarHBondContact O-N 2.89Å; I636-Y638 VanDerWaalsContact C-N 3.33Å; I636-Y638 PolarHBondContact O-N 2.85Å; Y638-R642 WeakPolarHBondContact O-CB 3.48Å; Y638-R642 PolarHBondContact O-N 3.13Å; Y638-R642 PolarHBondContact OH-NH1 3.43Å; Y638-R642 VanDerWaalsContact OH-NH1 3.11Å
639	N	85	Confident	76.8	Confident	74 Å²	74	115.3 Å²	115.3	40%	0.396	55%	0.554	S	S	.	*	H	α-helix	trans	-67.1	-37.3	178.5	-78.3	-6.4	0	0	0	112.7	K635 I636 I637 R642 N643	K635-N639 WeakPolarHBondContact O-CB 3.46Å; K635-N639 VanDerWaalsContact O-CG 3.27Å; K635-N639 PolarHBondContact O-N 3.1Å; I636-N639 PolarHBondContact O-N 2.69Å; I637-N639 VanDerWaalsContact C-N 3.33Å; I637-N639 PolarHBondContact O-N 3.37Å; N639-R642 PolarHBondContact O-N 3.01Å; N639-N643 VanDerWaalsContact O-CB 3.23Å; N639-N643 WeakPolarHBondContact O-CB 3.28Å; N639-N643 PolarHBondContact O-N 2.97Å
640	E	82.5	Confident	74.5	Confident	114 Å²	114	115.3 Å²	115.3	53%	0.533	57%	0.567	S	S	.	*	H	α-helix	trans	-71.4	-41.4	178.1	-169.8	62.5	-165.2	0	0	111.7	I636 I637 R642 N643 K644	I636-E640 PolarHBondContact O-N 3.44Å; I637-E640 PolarHBondContact O-N 3.46Å; E640-R642 VanDerWaalsContact C-N 3.33Å; E640-R642 PolarHBondContact O-N 3.37Å; E640-N643 PolarHBondContact O-N 2.79Å; E640-K644 PolarHBondContact O-N 2.75Å
641	L	80	Confident	71.7	Confident	106 Å²	106	119.5 Å²	119.5	56%	0.555	59%	0.586	S	S	*	*	H	α-helix	trans	-60	-45	172.1	-72.2	170.4	0	0	0	110.9	I637 K644 D645	I637-L641 HydrophobicContact CG2-CD1 3.77Å; I637-L641 HydrophobicContact CG2-CG 4.35Å; I637-L641 WeakPolarHBondContact O-CB 3.27Å; I637-L641 WeakPolarHBondContact O-CG 3.31Å; I637-L641 PolarHBondContact O-N 3.36Å; L641-K644 WeakPolarHBondContact O-CB 3.25Å; L641-K644 PolarHBondContact O-N 2.89Å; L641-D645 PolarHBondContact O-N 3.36Å
642	R	74.5	Confident	69.3	Low	130 Å²	130	120.5 Å²	120.5	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-70.9	-32.5	179.5	-167.4	174.4	174.5	173	-4.8	113.4	Y638 N639 E640 D645 Q646	Y638-R642 WeakPolarHBondContact O-CB 3.48Å; Y638-R642 PolarHBondContact O-N 3.13Å; Y638-R642 PolarHBondContact OH-NH1 3.43Å; Y638-R642 VanDerWaalsContact OH-NH1 3.11Å; N639-R642 PolarHBondContact O-N 3.01Å; E640-R642 VanDerWaalsContact C-N 3.33Å; E640-R642 PolarHBondContact O-N 3.37Å; R642-D645 PolarHBondContact O-N 3.33Å; R642-Q646 PolarHBondContact O-N 3.46Å
643	N	65	Low	67.4	Low	85 Å²	85	119.9 Å²	119.9	46%	0.455	60%	0.603	S	S	.	*	H	α-helix	trans	-72.6	-28.2	174.8	-86.1	-17.8	0	0	0	112.5	N639 E640 D645 Q646 K647	N639-N643 VanDerWaalsContact O-CB 3.23Å; N639-N643 WeakPolarHBondContact O-CB 3.28Å; N639-N643 PolarHBondContact O-N 2.97Å; E640-N643 PolarHBondContact O-N 2.79Å; N643-D645 VanDerWaalsContact C-N 3.3Å; N643-Q646 PolarHBondContact O-N 2.91Å; N643-K647 PolarHBondContact O-N 2.92Å
644	K	56.9	Low	65.4	Low	134 Å²	134	126.1 Å²	126.1	58%	0.583	62%	0.624	S	S	*	*	H	α-helix	trans	-62.5	-39.6	169	-80.9	-175	176.3	-179	0	111.4	E640 L641 Q646 K647 F648	E640-K644 PolarHBondContact O-N 2.75Å; L641-K644 WeakPolarHBondContact O-CB 3.25Å; L641-K644 PolarHBondContact O-N 2.89Å; K644-Q646 VanDerWaalsContact C-N 3.28Å; K644-Q646 PolarHBondContact O-N 3.09Å; K644-K647 PolarHBondContact O-N 2.79Å; K644-F648 WeakPolarHBondContact O-CD2 3.39Å
645	D	55.6	Low	62.7	Low	123 Å²	123	132 Å²	132	66%	0.658	64%	0.64	S	S	*	*	H	α-helix	trans	-65.6	-31.3	176.5	-64.4	-25.6	0	0	0	112.3	L641 R642 N643	L641-D645 PolarHBondContact O-N 3.36Å; R642-D645 PolarHBondContact O-N 3.33Å; N643-D645 VanDerWaalsContact C-N 3.3Å
646	Q	53.8	Low	60.5	Low	140 Å²	140	133.1 Å²	133.1	65%	0.654	65%	0.652	S	S	*	*	H	α-helix	trans	-84.6	-12.2	-178.5	-73.6	-168.3	-17.4	0	0	115.3	R642 N643 K644	R642-Q646 PolarHBondContact O-N 3.46Å; N643-Q646 PolarHBondContact O-N 2.91Å; K644-Q646 VanDerWaalsContact C-N 3.28Å; K644-Q646 PolarHBondContact O-N 3.09Å
647	K	47.8	Very low	58.2	Low	156 Å²	156	131.5 Å²	131.5	68%	0.678	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	19.7	177.5	-81.4	-174	-178.4	172.1	0	114.9	N643 K644 G649	N643-K647 PolarHBondContact O-N 2.92Å; K644-K647 PolarHBondContact O-N 2.79Å; K647-G649 PolarHBondContact O-N 2.9Å; K647-G649 VanDerWaalsContact O-N 3.08Å
648	F	45	Very low	56.3	Low	191 Å²	191	137.5 Å²	137.5	84%	0.838	67%	0.666	S	S	*	*			trans	-81.2	58.2	156.5	-73.5	-84.2	0	0	0	110.9	K644	K644-F648 WeakPolarHBondContact O-CD2 3.39Å
649	G	45.3	Very low	54.4	Low	54 Å²	54	140.9 Å²	140.9	56%	0.557	68%	0.68	S	S	*	*			trans	-104.4	129.6	160.4	0	0	0	0	0	108.2	K647 Q651	K647-G649 PolarHBondContact O-N 2.9Å; K647-G649 VanDerWaalsContact O-N 3.08Å; G649-Q651 PolarHBondContact O-N 2.89Å
650	P	47.2	Very low	52.7	Low	127 Å²	127	139.4 Å²	139.4	83%	0.825	68%	0.678	S	S	*	*			trans	-81.2	114.8	-159.3	31.8	-32.2	0	0	0	110.8
651	Q	38.1	Very low	51	Low	190 Å²	190	136.3 Å²	136.3	89%	0.888	67%	0.669	S	S	*	*			trans	-168.7	115.1	152.8	-108.1	168.7	36.4	0	0	112.3	G649	G649-Q651 PolarHBondContact O-N 2.89Å
652	N	42.4	Very low	49.4	Very low	149 Å²	149	136.7 Å²	136.7	80%	0.797	67%	0.671	S	S	*	*			trans	52.4	118.6	165.8	-95.9	-21	0	0	0	120	W654	N652-W654 PolarHBondContact O-N 2.88Å
653	P	54.3	Low	48.1	Very low	115 Å²	115	137.4 Å²	137.4	75%	0.747	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	8.7	-171.4	-3.1	12.8	0	0	0	117.7
654	W	49.4	Very low	47.5	Very low	240 Å²	240	139.9 Å²	139.9	91%	0.909	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	39.7	-174.2	-64.1	106.5	0	0	0	114.2	N652	N652-W654 PolarHBondContact O-N 2.88Å
655	K	39	Very low	46.7	Very low	200 Å²	200	136.2 Å²	136.2	87%	0.87	69%	0.687	S	S	*	*			trans	-124.2	114.2	161.7	-84.8	-170.9	175.9	-178.6	0	111.8
656	L	43.6	Very low	46.4	Very low	150 Å²	150	135.7 Å²	135.7	79%	0.785	69%	0.693	S	S	*	*			trans	-55.9	150.4	171.9	-78.3	144.2	0	0	0	111.8
657	P	41.7	Very low	46.2	Very low	78 Å²	78	134.2 Å²	134.2	51%	0.506	69%	0.694	S	S	.	*			trans	-60.4	136.2	-179.3	-18.9	30.2	0	0	0	112.6	Y659 A660 S661	P657-Y659 PolarHBondContact O-N 2.69Å; P657-A660 PolarHBondContact O-N 3.42Å; P657-S661 PolarHBondContact O-N 3.34Å
658	R	48.2	Very low	45.9	Very low	200 Å²	200	132.2 Å²	132.2	76%	0.755	69%	0.691	S	S	*	*	H	α-helix	trans	-51.3	-29.3	-177.3	-80.1	-172.8	-148.2	179	6.1	115.6	A660 S661 D662	R658-A660 VanDerWaalsContact C-N 3.25Å; R658-A660 PolarHBondContact O-N 3.34Å; R658-S661 VanDerWaalsContact CA-OG 3.32Å; R658-S661 WeakPolarHBondContact CA-OG 3.4Å; R658-S661 PolarHBondContact O-N 3.04Å; R658-S661 PolarHBondContact O-OG 2.97Å; R658-D662 PolarHBondContact O-N 3.26Å; R658-D662 VanDerWaalsContact O-N 3.11Å
659	Y	46.5	Very low	45.7	Very low	203 Å²	203	130.5 Å²	130.5	80%	0.796	69%	0.689	S	S	*	*	H	α-helix	trans	-71	-22	178.9	-128.2	-91.9	0	0	0	113.2	P657 L663	P657-Y659 PolarHBondContact O-N 2.69Å; Y659-L663 WeakPolarHBondContact O-CD1 3.22Å
660	A	48.7	Very low	45.6	Very low	43 Å²	43	130 Å²	130	36%	0.355	68%	0.684	S	S	.	*	H	α-helix	trans	-90.7	-25.3	173.3	0	0	0	0	0	112.6	P657 R658 I664	P657-A660 PolarHBondContact O-N 3.42Å; R658-A660 VanDerWaalsContact C-N 3.25Å; R658-A660 PolarHBondContact O-N 3.34Å; A660-I664 WeakPolarHBondContact O-CG1 3.3Å; A660-I664 PolarHBondContact O-N 2.75Å
661	S	48.2	Very low	45.5	Very low	49 Å²	49	127.9 Å²	127.9	34%	0.343	67%	0.669	S	S	.	*	H	α-helix	trans	-73.5	-34.2	173.5	58.9	0	0	0	0	112.4	P657 R658 L663 I664 S665	P657-S661 PolarHBondContact O-N 3.34Å; R658-S661 VanDerWaalsContact CA-OG 3.32Å; R658-S661 WeakPolarHBondContact CA-OG 3.4Å; R658-S661 PolarHBondContact O-N 3.04Å; R658-S661 PolarHBondContact O-OG 2.97Å; S661-L663 PolarHBondContact O-N 2.91Å; S661-I664 CarbonylContact O-C 3.59Å; S661-I664 PolarHBondContact O-N 3.38Å; S661-I664 VanDerWaalsContact O-N 3.14Å; S661-S665 WeakPolarHBondContact O-CB 3.47Å; S661-S665 PolarHBondContact O-N 3.16Å; S661-S665 PolarHBondContact O-OG 3.48Å
662	D	45.6	Very low	45.7	Very low	114 Å²	114	127.1 Å²	127.1	61%	0.61	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-18.6	179.1	-64.3	-6.8	0	0	0	112.2	R658	R658-D662 PolarHBondContact O-N 3.26Å; R658-D662 VanDerWaalsContact O-N 3.11Å
663	L	48.6	Very low	45.7	Very low	144 Å²	144	122.8 Å²	122.8	75%	0.754	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-11.2	171.3	-76.1	164	0	0	0	113.3	Y659 S661	Y659-L663 WeakPolarHBondContact O-CD1 3.22Å; S661-L663 PolarHBondContact O-N 2.91Å
664	I	50.7	Low	45	Very low	138 Å²	138	124.5 Å²	124.5	71%	0.708	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	-12.3	-178.7	-58.8	173.9	0	0	0	112.5	A660 S661 S666	A660-I664 WeakPolarHBondContact O-CG1 3.3Å; A660-I664 PolarHBondContact O-N 2.75Å; S661-I664 CarbonylContact O-C 3.59Å; S661-I664 PolarHBondContact O-N 3.38Å; S661-I664 VanDerWaalsContact O-N 3.14Å; I664-S666 PolarHBondContact O-N 3.48Å
665	S	40.7	Very low	44.8	Very low	56 Å²	56	114.7 Å²	114.7	39%	0.392	61%	0.614	S	S	.	*			trans	-74.7	94.3	168.3	65	0	0	0	0	109.9	S661 T667	S661-S665 WeakPolarHBondContact O-CB 3.47Å; S661-S665 PolarHBondContact O-N 3.16Å; S661-S665 PolarHBondContact O-OG 3.48Å; S665-T667 PolarHBondContact O-N 3.2Å
666	S	50	Low	45	Very low	113 Å²	113	111 Å²	111	79%	0.79	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	23.3	173.2	53.2	0	0	0	0	115	I664	I664-S666 PolarHBondContact O-N 3.48Å
667	T	48.9	Very low	45.1	Very low	109 Å²	109	107.4 Å²	107.4	67%	0.669	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	-13	-178	29.1	0	0	0	0	115	S665	S665-T667 PolarHBondContact O-N 3.2Å
668	D	42.1	Very low	45.4	Very low	114 Å²	114	109.4 Å²	109.4	61%	0.61	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	0.8	174.8	-110.9	-8.4	0	0	0	114.9	G670 T671	D668-G670 PolarHBondContact O-N 3.4Å; D668-T671 PolarHBondContact O-OG1 3.22Å; D668-T671 PolarHBondContact OD1-OG1 3.14Å
669	L	41.1	Very low	45.5	Very low	154 Å²	154	103.4 Å²	103.4	81%	0.806	58%	0.576	S	S	*	*	H	α-helix	trans	-70.6	-18.4	160.7	-123.9	93.1	0	0	0	111.8	A673	L669-A673 VanDerWaalsContact O-CB 3.26Å; L669-A673 WeakPolarHBondContact O-CB 3.36Å
670	G	43	Very low	45.5	Very low	43 Å²	43	96.4 Å²	96.4	44%	0.443	56%	0.557	S	S	.	*	H	α-helix	trans	-75.3	-35.3	177.5	0	0	0	0	0	113.7	D668 Y674	D668-G670 PolarHBondContact O-N 3.4Å; G670-Y674 PolarHBondContact O-N 3.46Å
671	T	44.3	Very low	45.4	Very low	84 Å²	84	103.1 Å²	103.1	52%	0.515	57%	0.573	S	S	.	*	H	α-helix	trans	-84.3	-37	-172.8	51.8	0	0	0	0	112.6	D668 Y674 G675	D668-T671 PolarHBondContact O-OG1 3.22Å; D668-T671 PolarHBondContact OD1-OG1 3.14Å; T671-Y674 PolarHBondContact O-N 3.32Å; T671-G675 PolarHBondContact O-N 3.49Å; T671-G675 VanDerWaalsContact O-N 3.1Å
672	K	42.3	Very low	45.3	Very low	173 Å²	173	110.3 Å²	110.3	75%	0.752	59%	0.593	S	S	*	*	H	α-helix	trans	-75.2	-27.5	173.2	-98.8	175.7	177.5	171.7	0	113.9	N676	K672-N676 PolarHBondContact O-N 3.36Å
673	A	42.9	Very low	45.2	Very low	58 Å²	58	113.6 Å²	113.6	48%	0.479	60%	0.596	S	S	.	*	H	α-helix	trans	-70.9	-32.3	169.8	0	0	0	0	0	112	L669 T677	L669-A673 VanDerWaalsContact O-CB 3.26Å; L669-A673 WeakPolarHBondContact O-CB 3.36Å; A673-T677 PolarHBondContact O-N 3.31Å; A673-T677 PolarHBondContact O-OG1 3.23Å
674	Y	40.6	Very low	45.2	Very low	151 Å²	151	112.4 Å²	112.4	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-71.2	-37.8	174.6	-130.8	-94.6	0	0	0	112.7	G670 T671 N676 T677 Q678	G670-Y674 PolarHBondContact O-N 3.46Å; T671-Y674 PolarHBondContact O-N 3.32Å; Y674-N676 PolarHBondContact O-N 3.34Å; Y674-T677 WeakPolarHBondContact CA-OG1 3.43Å; Y674-T677 PolarHBondContact O-N 2.84Å; Y674-T677 PolarHBondContact O-OG1 2.63Å; Y674-Q678 HydrophobicContact CD1-CG 4.32Å; Y674-Q678 WeakPolarHBondContact O-CG 3.39Å; Y674-Q678 PolarHBondContact O-N 3.36Å
675	G	44.4	Very low	45.1	Very low	35 Å²	35	111.4 Å²	111.4	36%	0.361	59%	0.585	S	S	.	*	H	α-helix	trans	-61.2	-41.4	176.2	0	0	0	0	0	113.1	T671 T679	T671-G675 PolarHBondContact O-N 3.49Å; T671-G675 VanDerWaalsContact O-N 3.1Å; G675-T679 PolarHBondContact O-N 3.11Å; G675-T679 PolarHBondContact O-OG1 3.29Å
676	N	43.9	Very low	45.4	Very low	123 Å²	123	116.9 Å²	116.9	66%	0.658	60%	0.604	S	S	*	*	H	α-helix	trans	-82.5	-20.1	-178.8	-71.5	-13.1	0	0	0	114	K672 Y674 S680	K672-N676 PolarHBondContact O-N 3.36Å; Y674-N676 PolarHBondContact O-N 3.34Å; N676-S680 PolarHBondContact O-N 3.02Å; N676-S680 PolarHBondContact O-OG 3.37Å
677	T	45.1	Very low	45.3	Very low	73 Å²	73	118.5 Å²	118.5	45%	0.448	60%	0.603	S	S	.	*	H	α-helix	trans	-83.1	-23.8	171	39.7	0	0	0	0	112.9	A673 Y674 S680 R681	A673-T677 PolarHBondContact O-N 3.31Å; A673-T677 PolarHBondContact O-OG1 3.23Å; Y674-T677 WeakPolarHBondContact CA-OG1 3.43Å; Y674-T677 PolarHBondContact O-N 2.84Å; Y674-T677 PolarHBondContact O-OG1 2.63Å; T677-S680 WeakPolarHBondContact CA-OG 3.39Å; T677-S680 PolarHBondContact O-OG 3.25Å; T677-S680 VanDerWaalsContact O-OG 3.09Å; T677-R681 WeakPolarHBondContact O-CB 3.49Å; T677-R681 PolarHBondContact O-N 3.09Å
678	Q	47.1	Very low	45.2	Very low	120 Å²	120	119.7 Å²	119.7	56%	0.561	61%	0.605	S	S	*	*	H	α-helix	trans	-74.7	-34.4	171.5	-77.4	-175	-15.3	0	0	112.9	Y674 R681 R682	Y674-Q678 HydrophobicContact CD1-CG 4.32Å; Y674-Q678 WeakPolarHBondContact O-CG 3.39Å; Y674-Q678 PolarHBondContact O-N 3.36Å; Q678-R681 PolarHBondContact O-N 3.43Å; Q678-R682 PolarHBondContact O-N 2.88Å
679	T	50.3	Low	44.9	Very low	74 Å²	74	120.1 Å²	120.1	45%	0.454	61%	0.612	S	S	.	*	H	α-helix	trans	-73.2	-24.2	174.3	12	0	0	0	0	113.6	G675	G675-T679 PolarHBondContact O-N 3.11Å; G675-T679 PolarHBondContact O-OG1 3.29Å
680	S	46.9	Very low	44.8	Very low	57 Å²	57	119.2 Å²	119.2	40%	0.399	61%	0.613	S	S	.	*	H	α-helix	trans	-82.4	-33.4	171.1	59.9	0	0	0	0	112.5	N676 T677 R683 I684	N676-S680 PolarHBondContact O-N 3.02Å; N676-S680 PolarHBondContact O-OG 3.37Å; T677-S680 WeakPolarHBondContact CA-OG 3.39Å; T677-S680 PolarHBondContact O-OG 3.25Å; T677-S680 VanDerWaalsContact O-OG 3.09Å; S680-R683 PolarHBondContact O-N 3.36Å; S680-I684 WeakPolarHBondContact O-CG1 3.44Å; S680-I684 PolarHBondContact O-N 2.92Å
681	R	46.2	Very low	44.9	Very low	183 Å²	183	126.5 Å²	126.5	69%	0.691	65%	0.652	S	S	*	*	H	α-helix	trans	-71.6	-34.9	172.7	-87.1	-176	171.9	173.9	-1.9	114.1	T677 Q678 R683 I684 I685	T677-R681 WeakPolarHBondContact O-CB 3.49Å; T677-R681 PolarHBondContact O-N 3.09Å; Q678-R681 PolarHBondContact O-N 3.43Å; R681-R683 VanDerWaalsContact C-N 3.27Å; R681-R683 PolarHBondContact O-N 3.07Å; R681-I684 PolarHBondContact O-N 3.28Å; R681-I685 PolarHBondContact O-N 3.47Å
682	R	45.9	Very low	45	Very low	201 Å²	201	128.6 Å²	128.6	76%	0.758	66%	0.659	S	S	*	*	H	α-helix	trans	-64.3	-31.6	174.1	-87.8	-174.6	177.2	166.2	0.2	113	Q678 E686	Q678-R682 PolarHBondContact O-N 2.88Å; R682-E686 PolarHBondContact O-N 3.43Å
683	R	45	Very low	45.1	Very low	182 Å²	182	126.3 Å²	126.3	69%	0.687	65%	0.654	S	S	*	*	H	α-helix	trans	-78	-14.6	176.5	-89.6	-169.3	-83.9	-168.4	-5.9	115	S680 R681	S680-R683 PolarHBondContact O-N 3.36Å; R681-R683 VanDerWaalsContact C-N 3.27Å; R681-R683 PolarHBondContact O-N 3.07Å
684	I	48.4	Very low	45.2	Very low	119 Å²	119	130.1 Å²	130.1	61%	0.61	66%	0.664	S	S	*	*	H	α-helix	trans	-93.1	-26.6	176.6	-64.5	173.3	0	0	0	111.2	S680 R681	S680-I684 WeakPolarHBondContact O-CG1 3.44Å; S680-I684 PolarHBondContact O-N 2.92Å; R681-I684 PolarHBondContact O-N 3.28Å
685	I	48.5	Very low	45.5	Very low	118 Å²	118	128.8 Å²	128.8	61%	0.605	67%	0.668	S	S	*	*	H	α-helix	trans	-82.5	-22.9	178.6	-61.8	170.8	0	0	0	112.3	R681 L687	R681-I685 PolarHBondContact O-N 3.47Å; I685-L687 VanDerWaalsContact C-N 3.26Å; I685-L687 PolarHBondContact O-N 3.06Å
686	E	46.8	Very low	45.6	Very low	170 Å²	170	134.7 Å²	134.7	79%	0.794	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-4.6	174.5	-89.3	-178.5	170.1	0	0	114.7	R682	R682-E686 PolarHBondContact O-N 3.43Å
687	L	48.3	Very low	45.7	Very low	147 Å²	147	135.5 Å²	135.5	77%	0.77	69%	0.689	S	S	*	*	S	Bend	trans	-107.7	-9.6	176.8	-97	127	0	0	0	114.9	I685	I685-L687 VanDerWaalsContact C-N 3.26Å; I685-L687 PolarHBondContact O-N 3.06Å
688	D	45.2	Very low	45.7	Very low	135 Å²	135	139.9 Å²	139.9	72%	0.722	71%	0.706	S	S	*	*	S	Bend	trans	-124.9	73.7	171.5	-79.9	-29.2	0	0	0	109
689	T	37.7	Very low	45.6	Very low	122 Å²	122	141.5 Å²	141.5	75%	0.748	72%	0.718	S	S	*	*			trans	170.4	70.1	151.1	35.3	0	0	0	0	110.8
690	V	37.5	Very low	45.2	Very low	136 Å²	136	147.1 Å²	147.1	82%	0.824	74%	0.74	S	S	*	*			trans	-117.8	123.7	137.1	-177.7	0	0	0	0	104.6
691	P	46.1	Very low	45	Very low	195 Å²	195	155.3 Å²	155.3	100%	1.266	77%	0.771	S	S	*	*			trans	-65.6	0	-169.9	26.9	-34.8	0	0	0	114.4

Retrieved 691 of 691 residues in 271.4 ms (Link to these results)

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