A0A087Y8C0_POEFO Loading...

Angel homolog 1

AlphaFold DB , UniProt , Accession A0A087Y8C0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 741 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	48	Very low	48.9	Very low	216 Å²	216	141.9 Å²	141.9	100%	1.064	69%	0.688	S	S	*	*				0	-32.8	0	-100.2	159.9	76.8	0	0	114.9
2	N	51.3	Low	48.8	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	67%	0.672	S	S	*	*	H	α-helix	trans	-77.8	-25.1	-160.2	-65.2	2.4	0	0	0	117.6	R4	N2-R4 PolarHBondContact O-N 3.11Å
3	L	45.2	Very low	48.6	Very low	151 Å²	151	136.2 Å²	136.2	79%	0.791	67%	0.668	S	S	*	*	H	α-helix	trans	-65.3	-35.7	-179.3	-89.5	75.2	0	0	0	113.4	L6 Y7	L3-L6 WeakPolarHBondContact O-CB 3Å; L3-L6 PolarHBondContact O-N 3.18Å; L3-L6 VanDerWaalsContact O-N 3.12Å; L3-Y7 PolarHBondContact O-N 2.82Å
4	R	46.1	Very low	48.7	Very low	193 Å²	193	131.6 Å²	131.6	73%	0.728	65%	0.653	S	S	*	*	H	α-helix	trans	-64.7	-45.1	-173.9	-154.1	178.4	-172.5	156.6	6.2	111.9	N2 L6 Y7 E8	N2-R4 PolarHBondContact O-N 3.11Å; R4-L6 PolarHBondContact O-N 2.62Å; R4-Y7 PolarHBondContact O-N 2.9Å; R4-E8 IonicContact NE-OE1 3.12Å; R4-E8 WeakPolarHBondContact O-CG 3.47Å; R4-E8 PolarHBondContact O-N 2.84Å; R4-E8 VanDerWaalsContact O-N 3.09Å
5	K	48.8	Very low	48.7	Very low	149 Å²	149	130.8 Å²	130.8	65%	0.648	65%	0.651	S	S	*	*	H	α-helix	trans	-63.9	-25.1	173.8	-77.5	-168.6	171.6	-172	0	113.7	N9	K5-N9 PolarHBondContact O-N 2.67Å; K5-N9 PolarHBondContact O-ND2 3.43Å
6	L	50.3	Low	48.6	Very low	136 Å²	136	130.2 Å²	130.2	71%	0.712	65%	0.65	S	S	*	*	H	α-helix	trans	-73.1	-43	176.4	-145.3	78.3	0	0	0	110.8	L3 R4 L10	L3-L6 WeakPolarHBondContact O-CB 3Å; L3-L6 PolarHBondContact O-N 3.18Å; L3-L6 VanDerWaalsContact O-N 3.12Å; R4-L6 PolarHBondContact O-N 2.62Å; L6-L10 PolarHBondContact O-N 2.95Å
7	Y	48	Very low	48.7	Very low	189 Å²	189	126.8 Å²	126.8	74%	0.741	64%	0.637	S	S	*	*	H	α-helix	trans	-66.6	-43.7	178.4	-123.8	-93.3	0	0	0	112.6	L3 R4 N9 L10 A11	L3-Y7 PolarHBondContact O-N 2.82Å; R4-Y7 PolarHBondContact O-N 2.9Å; Y7-N9 PolarHBondContact O-N 2.7Å; Y7-L10 PolarHBondContact O-N 2.89Å; Y7-A11 WeakPolarHBondContact O-CB 3.42Å; Y7-A11 PolarHBondContact O-N 3.41Å
8	E	53.2	Low	48.7	Very low	104 Å²	104	124.8 Å²	124.8	49%	0.486	63%	0.629	S	S	.	*	H	α-helix	trans	-63	-41	179.3	-72.5	161.2	179.7	0	0	112.1	R4 C12	R4-E8 IonicContact NE-OE1 3.12Å; R4-E8 WeakPolarHBondContact O-CG 3.47Å; R4-E8 PolarHBondContact O-N 2.84Å; R4-E8 VanDerWaalsContact O-N 3.09Å; E8-C12 PolarHBondContact O-N 3.27Å; E8-C12 VanDerWaalsContact O-N 3.11Å
9	N	48.9	Very low	48.8	Very low	113 Å²	113	120.8 Å²	120.8	60%	0.604	62%	0.617	S	S	*	*	H	α-helix	trans	-67.4	-41.2	175.6	-81.4	-66.8	0	0	0	112.6	K5 Y7 A11 C12 H13	K5-N9 PolarHBondContact O-N 2.67Å; K5-N9 PolarHBondContact O-ND2 3.43Å; Y7-N9 PolarHBondContact O-N 2.7Å; N9-A11 VanDerWaalsContact C-N 3.34Å; N9-A11 PolarHBondContact O-N 2.86Å; N9-C12 PolarHBondContact O-N 2.99Å; N9-H13 WeakPolarHBondContact O-CB 3.46Å; N9-H13 PolarHBondContact O-N 2.88Å
10	L	48.6	Very low	48.9	Very low	123 Å²	123	119 Å²	119	64%	0.644	61%	0.612	S	S	*	*	H	α-helix	trans	-65.5	-38.6	179.4	-156.4	74.1	0	0	0	111.7	L6 Y7 T14	L6-L10 PolarHBondContact O-N 2.95Å; Y7-L10 PolarHBondContact O-N 2.89Å; L10-T14 WeakPolarHBondContact O-CB 3.08Å; L10-T14 PolarHBondContact O-N 3.29Å; L10-T14 VanDerWaalsContact O-N 3.15Å; L10-T14 PolarHBondContact O-OG1 2.87Å
11	A	50	Low	49.1	Very low	50 Å²	50	116.5 Å²	116.5	41%	0.413	60%	0.6	S	S	.	*	H	α-helix	trans	-62.9	-49.4	173.8	0	0	0	0	0	112.1	Y7 N9 H13 T14 L15	Y7-A11 WeakPolarHBondContact O-CB 3.42Å; Y7-A11 PolarHBondContact O-N 3.41Å; N9-A11 VanDerWaalsContact C-N 3.34Å; N9-A11 PolarHBondContact O-N 2.86Å; A11-H13 PolarHBondContact O-N 3.18Å; A11-T14 PolarHBondContact O-N 3.29Å; A11-L15 WeakPolarHBondContact O-CG 3.25Å; A11-L15 PolarHBondContact O-N 3.17Å
12	C	46.7	Very low	49.4	Very low	74 Å²	74	110.7 Å²	110.7	50%	0.5	57%	0.572	S	S	.	*	H	α-helix	trans	-59.1	-43.3	176.9	-82.6	0	0	0	0	112.8	E8 N9 T14 L15 L16	E8-C12 PolarHBondContact O-N 3.27Å; E8-C12 VanDerWaalsContact O-N 3.11Å; N9-C12 PolarHBondContact O-N 2.99Å; C12-T14 VanDerWaalsContact C-N 3.29Å; C12-T14 PolarHBondContact O-N 3.22Å; C12-L15 PolarHBondContact O-N 3.11Å; C12-L16 PolarHBondContact O-N 3.12Å
13	H	47.3	Very low	49.6	Very low	135 Å²	135	111.2 Å²	111.2	63%	0.625	57%	0.568	S	S	*	*	H	α-helix	trans	-68.2	-29.6	-178.9	-142.8	-62	0	0	0	112.9	N9 A11 T17	N9-H13 WeakPolarHBondContact O-CB 3.46Å; N9-H13 PolarHBondContact O-N 2.88Å; A11-H13 PolarHBondContact O-N 3.18Å; H13-T17 WeakPolarHBondContact O-CG2 3.49Å; H13-T17 PolarHBondContact O-N 3.42Å; H13-T17 PolarHBondContact O-OG1 2.93Å
14	T	49.1	Very low	50.4	Low	73 Å²	73	107.1 Å²	107.1	45%	0.448	55%	0.549	S	S	.	.	H	α-helix	trans	-76.2	-35.2	174.7	-52	0	0	0	0	111.9	L10 A11 C12 T17 N18	L10-T14 WeakPolarHBondContact O-CB 3.08Å; L10-T14 PolarHBondContact O-N 3.29Å; L10-T14 VanDerWaalsContact O-N 3.15Å; L10-T14 PolarHBondContact O-OG1 2.87Å; A11-T14 PolarHBondContact O-N 3.29Å; C12-T14 VanDerWaalsContact C-N 3.29Å; C12-T14 PolarHBondContact O-N 3.22Å; T14-T17 WeakPolarHBondContact CA-OG1 3.47Å; T14-T17 PolarHBondContact O-OG1 3.27Å; T14-T17 VanDerWaalsContact O-OG1 3.08Å; T14-N18 WeakPolarHBondContact O-CB 3.42Å; T14-N18 PolarHBondContact O-N 3.46Å; T14-N18 PolarHBondContact O-ND2 3.35Å; T14-N18 VanDerWaalsContact O-ND2 3.16Å
15	L	48.4	Very low	50.9	Low	119 Å²	119	106 Å²	106	62%	0.623	55%	0.545	S	S	*	.	H	α-helix	trans	-70.7	-40.2	175.4	-73.5	166.6	0	0	0	112.4	A11 C12 A19	A11-L15 WeakPolarHBondContact O-CG 3.25Å; A11-L15 PolarHBondContact O-N 3.17Å; C12-L15 PolarHBondContact O-N 3.11Å; L15-A19 VanDerWaalsContact O-CB 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3Å
16	L	48	Very low	51.3	Low	121 Å²	121	104.3 Å²	104.3	63%	0.634	54%	0.541	S	S	*	.	H	α-helix	trans	-67.9	-36.4	178.8	-84	159.4	0	0	0	113.5	C12 T20	C12-L16 PolarHBondContact O-N 3.12Å; L16-T20 PolarHBondContact O-N 3.26Å; L16-T20 PolarHBondContact O-OG1 3.36Å
17	T	49.6	Very low	51.8	Low	72 Å²	72	107.4 Å²	107.4	44%	0.442	54%	0.543	S	S	.	.	H	α-helix	trans	-69.9	-44.2	174.9	42.1	0	0	0	0	111.7	H13 T14 T20 D21	H13-T17 WeakPolarHBondContact O-CG2 3.49Å; H13-T17 PolarHBondContact O-N 3.42Å; H13-T17 PolarHBondContact O-OG1 2.93Å; T14-T17 WeakPolarHBondContact CA-OG1 3.47Å; T14-T17 PolarHBondContact O-OG1 3.27Å; T14-T17 VanDerWaalsContact O-OG1 3.08Å; T17-T20 PolarHBondContact O-N 3.07Å; T17-T20 PolarHBondContact O-OG1 3.45Å; T17-D21 PolarHBondContact O-N 2.95Å; T17-D21 VanDerWaalsContact O-N 3.1Å
18	N	49	Very low	52.4	Low	91 Å²	91	106.8 Å²	106.8	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-63.9	-42.4	174.1	-75.8	-33	0	0	0	112.7	T14 T20 D21 I22	T14-N18 WeakPolarHBondContact O-CB 3.42Å; T14-N18 PolarHBondContact O-N 3.46Å; T14-N18 PolarHBondContact O-ND2 3.35Å; T14-N18 VanDerWaalsContact O-ND2 3.16Å; N18-T20 VanDerWaalsContact C-N 3.26Å; N18-T20 PolarHBondContact O-N 2.95Å; N18-D21 PolarHBondContact O-N 3.32Å; N18-I22 WeakPolarHBondContact O-CB 3.46Å; N18-I22 WeakPolarHBondContact O-CD1 3.37Å; N18-I22 WeakPolarHBondContact O-CG1 3.5Å; N18-I22 PolarHBondContact O-N 3.22Å
19	A	50.8	Low	52.8	Low	49 Å²	49	106.6 Å²	106.6	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-27.3	178.9	0	0	0	0	0	113.5	L15 K23	L15-A19 VanDerWaalsContact O-CB 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3Å; A19-K23 WeakPolarHBondContact O-CG 3.38Å; A19-K23 PolarHBondContact O-N 2.82Å
20	T	51.2	Low	53.6	Low	85 Å²	85	107.5 Å²	107.5	52%	0.521	54%	0.542	S	S	.	.	H	α-helix	trans	-80.7	-43.1	175.5	42.6	0	0	0	0	112.3	L16 T17 N18 I22 K23 V24	L16-T20 PolarHBondContact O-N 3.26Å; L16-T20 PolarHBondContact O-OG1 3.36Å; T17-T20 PolarHBondContact O-N 3.07Å; T17-T20 PolarHBondContact O-OG1 3.45Å; N18-T20 VanDerWaalsContact C-N 3.26Å; N18-T20 PolarHBondContact O-N 2.95Å; T20-I22 PolarHBondContact O-N 2.68Å; T20-K23 PolarHBondContact O-N 2.9Å; T20-V24 WeakPolarHBondContact O-CG2 3.36Å; T20-V24 PolarHBondContact O-N 3.47Å
21	D	52	Low	54.3	Low	66 Å²	66	107.6 Å²	107.6	35%	0.353	54%	0.537	S	S	.	.	H	α-helix	trans	-63.3	-39.9	173	-171.1	35.7	0	0	0	111.6	T17 N18 K23 V24 R25	T17-D21 PolarHBondContact O-N 2.95Å; T17-D21 VanDerWaalsContact O-N 3.1Å; N18-D21 PolarHBondContact O-N 3.32Å; D21-K23 VanDerWaalsContact C-N 3.33Å; D21-K23 PolarHBondContact O-N 2.83Å; D21-V24 PolarHBondContact O-N 2.78Å; D21-V24 VanDerWaalsContact O-N 3.12Å; D21-R25 WeakPolarHBondContact O-CB 3.39Å; D21-R25 WeakPolarHBondContact O-CG 3.23Å; D21-R25 PolarHBondContact O-N 2.7Å; D21-R25 IonicContact OD1-NE 2.62Å; D21-R25 IonicContact OD2-CZ 2.69Å; D21-R25 VanDerWaalsContact OD2-CZ 3.27Å; D21-R25 IonicContact OD2-NE 3.69Å; D21-R25 PolarHBondContact OD2-NE 2.74Å; D21-R25 IonicContact OD2-NH2 2.78Å; D21-R25 PolarHBondContact OD2-NH2 3.3Å
22	I	55.9	Low	55.1	Low	94 Å²	94	114.6 Å²	114.6	48%	0.482	55%	0.553	S	S	.	*	H	α-helix	trans	-59	-42.8	174.6	-70.4	166	0	0	0	111.4	N18 T20 R25 M26	N18-I22 WeakPolarHBondContact O-CB 3.46Å; N18-I22 WeakPolarHBondContact O-CD1 3.37Å; N18-I22 WeakPolarHBondContact O-CG1 3.5Å; N18-I22 PolarHBondContact O-N 3.22Å; T20-I22 PolarHBondContact O-N 2.68Å; I22-R25 PolarHBondContact O-N 2.95Å; I22-M26 HydrophobicContact CG2-SD 4.46Å; I22-M26 WeakPolarHBondContact O-CB 3.13Å; I22-M26 WeakPolarHBondContact O-CG 3.48Å; I22-M26 PolarHBondContact O-N 3.05Å
23	K	55.1	Low	56.2	Low	148 Å²	148	115.5 Å²	115.5	64%	0.643	55%	0.552	S	S	*	*	H	α-helix	trans	-65.7	-36.9	175.1	-80.7	-179.2	176.3	178.6	0	112.7	A19 T20 D21 R27	A19-K23 WeakPolarHBondContact O-CG 3.38Å; A19-K23 PolarHBondContact O-N 2.82Å; T20-K23 PolarHBondContact O-N 2.9Å; D21-K23 VanDerWaalsContact C-N 3.33Å; D21-K23 PolarHBondContact O-N 2.83Å; K23-R27 WeakPolarHBondContact O-CB 3.42Å; K23-R27 WeakPolarHBondContact O-CG 3.37Å; K23-R27 PolarHBondContact O-N 3.49Å
24	V	61.9	Low	57.5	Low	66 Å²	66	113.8 Å²	113.8	40%	0.4	55%	0.545	S	S	.	.	H	α-helix	trans	-68.3	-43.1	175.1	172.7	0	0	0	0	111.1	T20 D21 R27 R28	T20-V24 WeakPolarHBondContact O-CG2 3.36Å; T20-V24 PolarHBondContact O-N 3.47Å; D21-V24 PolarHBondContact O-N 2.78Å; D21-V24 VanDerWaalsContact O-N 3.12Å; V24-R27 PolarHBondContact O-N 2.81Å; V24-R28 WeakPolarHBondContact O-CB 3.28Å; V24-R28 WeakPolarHBondContact O-CG 3.34Å; V24-R28 PolarHBondContact O-N 2.84Å
25	R	56.9	Low	58.8	Low	168 Å²	168	113.5 Å²	113.5	63%	0.634	54%	0.54	S	S	*	.	H	α-helix	trans	-62	-46.3	173.9	-71.2	-177.9	-170.3	-145.8	4.3	112	D21 I22 R27 R28 L29	D21-R25 WeakPolarHBondContact O-CB 3.39Å; D21-R25 WeakPolarHBondContact O-CG 3.23Å; D21-R25 PolarHBondContact O-N 2.7Å; D21-R25 IonicContact OD1-NE 2.62Å; D21-R25 IonicContact OD2-CZ 2.69Å; D21-R25 VanDerWaalsContact OD2-CZ 3.27Å; D21-R25 IonicContact OD2-NE 3.69Å; D21-R25 PolarHBondContact OD2-NE 2.74Å; D21-R25 IonicContact OD2-NH2 2.78Å; D21-R25 PolarHBondContact OD2-NH2 3.3Å; I22-R25 PolarHBondContact O-N 2.95Å; R25-R27 PolarHBondContact O-N 2.76Å; R25-R28 PolarHBondContact O-N 2.73Å; R25-L29 WeakPolarHBondContact O-CB 3.41Å; R25-L29 PolarHBondContact O-N 3.47Å
26	M	57.3	Low	59.9	Low	115 Å²	115	109.7 Å²	109.7	57%	0.567	53%	0.529	S	S	*	.	H	α-helix	trans	-63.5	-37	176.9	-79.6	-170.2	167.8	0	0	112.9	I22 L29 H30	I22-M26 HydrophobicContact CG2-SD 4.46Å; I22-M26 WeakPolarHBondContact O-CB 3.13Å; I22-M26 WeakPolarHBondContact O-CG 3.48Å; I22-M26 PolarHBondContact O-N 3.05Å; M26-L29 PolarHBondContact O-N 3.27Å; M26-H30 WeakPolarHBondContact O-CB 3.08Å; M26-H30 PolarHBondContact O-N 3.15Å; M26-H30 PolarHBondContact O-ND1 3.05Å
27	R	59.5	Low	60.9	Low	201 Å²	201	107.4 Å²	107.4	76%	0.758	52%	0.52	S	S	*	.	H	α-helix	trans	-67.4	-42.5	172.5	-78	-177.6	173.5	-168.3	-2.6	112.3	K23 V24 R25 L29 H30 F31	K23-R27 WeakPolarHBondContact O-CB 3.42Å; K23-R27 WeakPolarHBondContact O-CG 3.37Å; K23-R27 PolarHBondContact O-N 3.49Å; V24-R27 PolarHBondContact O-N 2.81Å; R25-R27 PolarHBondContact O-N 2.76Å; R27-L29 VanDerWaalsContact C-N 3.3Å; R27-L29 PolarHBondContact O-N 2.84Å; R27-H30 PolarHBondContact O-N 3.06Å; R27-F31 VanDerWaalsContact O-CB 3.31Å; R27-F31 WeakPolarHBondContact O-CB 3.36Å; R27-F31 PolarHBondContact O-N 2.96Å
28	R	60.2	Low	61.8	Low	175 Å²	175	109.1 Å²	109.1	66%	0.66	53%	0.526	S	S	*	.	H	α-helix	trans	-64.3	-34.3	174.1	-73.4	177	178.1	-177.3	0.3	112.3	V24 R25 R32	V24-R28 WeakPolarHBondContact O-CB 3.28Å; V24-R28 WeakPolarHBondContact O-CG 3.34Å; V24-R28 PolarHBondContact O-N 2.84Å; R25-R28 PolarHBondContact O-N 2.73Å; R28-R32 WeakPolarHBondContact O-CB 3.43Å; R28-R32 WeakPolarHBondContact O-CG 3.42Å; R28-R32 PolarHBondContact O-N 2.61Å
29	L	62	Low	62.9	Low	101 Å²	101	109 Å²	109	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-69.7	-49	174.9	-174.8	62.1	0	0	0	111.3	R25 M26 R27 F31 R32 I33	R25-L29 WeakPolarHBondContact O-CB 3.41Å; R25-L29 PolarHBondContact O-N 3.47Å; M26-L29 PolarHBondContact O-N 3.27Å; R27-L29 VanDerWaalsContact C-N 3.3Å; R27-L29 PolarHBondContact O-N 2.84Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 2.81Å; L29-R32 PolarHBondContact O-N 3.27Å; L29-R32 VanDerWaalsContact O-N 3.16Å; L29-I33 HydrophobicContact CD1-CD1 4.29Å; L29-I33 HydrophobicContact CG-CD1 3.95Å; L29-I33 WeakPolarHBondContact O-CG1 3.42Å; L29-I33 PolarHBondContact O-N 2.74Å
30	H	65.3	Low	64	Low	131 Å²	131	112.7 Å²	112.7	61%	0.606	53%	0.533	S	S	*	.	H	α-helix	trans	-58	-42	173.6	-84.2	77.6	0	0	0	112.2	M26 R27 R32 I33 M34	M26-H30 WeakPolarHBondContact O-CB 3.08Å; M26-H30 PolarHBondContact O-N 3.15Å; M26-H30 PolarHBondContact O-ND1 3.05Å; R27-H30 PolarHBondContact O-N 3.06Å; H30-R32 PolarHBondContact O-N 3.43Å; H30-I33 PolarHBondContact O-N 3.12Å; H30-M34 VanDerWaalsContact O-CB 3.3Å; H30-M34 WeakPolarHBondContact O-CB 3.43Å; H30-M34 PolarHBondContact O-N 3.16Å
31	F	64.9	Low	64.8	Low	126 Å²	126	116.5 Å²	116.5	55%	0.553	54%	0.539	S	S	*	.	H	α-helix	trans	-65	-38.4	177.1	-169.4	-110.7	0	0	0	112.2	R27 L29 M34 I35	R27-F31 VanDerWaalsContact O-CB 3.31Å; R27-F31 WeakPolarHBondContact O-CB 3.36Å; R27-F31 PolarHBondContact O-N 2.96Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 2.81Å; F31-M34 HydrophobicContact CD2-CE 3.95Å; F31-M34 HydrophobicContact CE2-CE 3.97Å; F31-I35 HydrophobicContact CD1-CD1 3.77Å; F31-I35 HydrophobicContact CE1-CD1 3.43Å; F31-I35 VanDerWaalsContact CE1-CD1 3.43Å; F31-I35 HydrophobicContact CE2-CD1 4.47Å; F31-I35 HydrophobicContact CG-CD1 4.43Å; F31-I35 HydrophobicContact CZ-CD1 3.82Å; F31-I35 WeakPolarHBondContact O-CB 3.25Å; F31-I35 WeakPolarHBondContact O-CG1 3.24Å; F31-I35 PolarHBondContact O-N 3.41Å
32	R	65.9	Low	65.7	Low	196 Å²	196	116.5 Å²	116.5	74%	0.74	55%	0.548	S	S	*	.	H	α-helix	trans	-67.7	-38.7	172.5	-79.2	177.9	169.1	-167.2	-5.3	113.1	R28 L29 H30 G36	R28-R32 WeakPolarHBondContact O-CB 3.43Å; R28-R32 WeakPolarHBondContact O-CG 3.42Å; R28-R32 PolarHBondContact O-N 2.61Å; L29-R32 PolarHBondContact O-N 3.27Å; L29-R32 VanDerWaalsContact O-N 3.16Å; H30-R32 PolarHBondContact O-N 3.43Å; R32-G36 PolarHBondContact O-N 2.04Å
33	I	70	Confident	66.3	Low	94 Å²	94	117.3 Å²	117.3	48%	0.482	55%	0.548	S	S	.	.	H	α-helix	trans	-65.7	-46.2	174.5	-68.8	165.4	0	0	0	110	L29 H30 I35 G36 V37	L29-I33 HydrophobicContact CD1-CD1 4.29Å; L29-I33 HydrophobicContact CG-CD1 3.95Å; L29-I33 WeakPolarHBondContact O-CG1 3.42Å; L29-I33 PolarHBondContact O-N 2.74Å; H30-I33 PolarHBondContact O-N 3.12Å; I33-I35 VanDerWaalsContact C-N 3.34Å; I33-I35 PolarHBondContact O-N 2.97Å; I33-G36 CarbonylContact O-C 3.59Å; I33-G36 WeakPolarHBondContact O-CA 3.37Å; I33-G36 PolarHBondContact O-N 2.9Å; I33-G36 VanDerWaalsContact O-N 3.1Å; I33-V37 HydrophobicContact CG2-CG2 4.4Å; I33-V37 WeakPolarHBondContact O-CG2 3.45Å; I33-V37 PolarHBondContact O-N 2.87Å
34	M	74	Confident	66.9	Low	98 Å²	98	116.4 Å²	116.4	48%	0.483	54%	0.541	S	S	.	.	H	α-helix	trans	-60.6	-41.8	177.1	-170.6	-170.3	81	0	0	111.9	H30 F31 L38	H30-M34 VanDerWaalsContact O-CB 3.3Å; H30-M34 WeakPolarHBondContact O-CB 3.43Å; H30-M34 PolarHBondContact O-N 3.16Å; F31-M34 HydrophobicContact CD2-CE 3.95Å; F31-M34 HydrophobicContact CE2-CE 3.97Å; M34-L38 HydrophobicContact CE-CD1 4.36Å; M34-L38 HydrophobicContact CG-CD1 4.25Å; M34-L38 WeakPolarHBondContact O-CB 3.36Å; M34-L38 WeakPolarHBondContact O-CG 3.15Å; M34-L38 PolarHBondContact O-N 2.73Å
35	I	77.1	Confident	67.1	Low	68 Å²	68	117 Å²	117	35%	0.349	55%	0.547	S	S	.	.	H	α-helix	trans	-64.7	-43.7	171.9	-74.5	171	0	0	0	110.9	F31 I33 V37 L38 L39	F31-I35 HydrophobicContact CD1-CD1 3.77Å; F31-I35 HydrophobicContact CE1-CD1 3.43Å; F31-I35 VanDerWaalsContact CE1-CD1 3.43Å; F31-I35 HydrophobicContact CE2-CD1 4.47Å; F31-I35 HydrophobicContact CG-CD1 4.43Å; F31-I35 HydrophobicContact CZ-CD1 3.82Å; F31-I35 WeakPolarHBondContact O-CB 3.25Å; F31-I35 WeakPolarHBondContact O-CG1 3.24Å; F31-I35 PolarHBondContact O-N 3.41Å; I33-I35 VanDerWaalsContact C-N 3.34Å; I33-I35 PolarHBondContact O-N 2.97Å; I35-V37 VanDerWaalsContact C-N 3.34Å; I35-V37 PolarHBondContact O-N 2.81Å; I35-L38 PolarHBondContact O-N 3.15Å; I35-L39 HydrophobicContact CG2-CD1 3.61Å; I35-L39 HydrophobicContact CG2-CG 4.14Å; I35-L39 WeakPolarHBondContact O-CB 2.96Å; I35-L39 WeakPolarHBondContact O-CG 3.48Å; I35-L39 PolarHBondContact O-N 2.95Å
36	G	70.8	Confident	66.9	Low	38 Å²	38	113.6 Å²	113.6	39%	0.392	54%	0.541	S	S	.	.	H	α-helix	trans	-58.8	-43.1	176.3	0	0	0	0	0	112.8	R32 I33 F40	R32-G36 PolarHBondContact O-N 2.04Å; I33-G36 CarbonylContact O-C 3.59Å; I33-G36 WeakPolarHBondContact O-CA 3.37Å; I33-G36 PolarHBondContact O-N 2.9Å; I33-G36 VanDerWaalsContact O-N 3.1Å; G36-F40 VanDerWaalsContact O-CB 3.3Å; G36-F40 WeakPolarHBondContact O-CB 3.16Å; G36-F40 PolarHBondContact O-N 2.84Å
37	V	70.3	Confident	66.7	Low	73 Å²	73	111.1 Å²	111.1	44%	0.442	53%	0.532	S	S	.	.	H	α-helix	trans	-67.5	-42.9	175.7	171.5	0	0	0	0	111.5	I33 I35 F40 Y41	I33-V37 HydrophobicContact CG2-CG2 4.4Å; I33-V37 WeakPolarHBondContact O-CG2 3.45Å; I33-V37 PolarHBondContact O-N 2.87Å; I35-V37 VanDerWaalsContact C-N 3.34Å; I35-V37 PolarHBondContact O-N 2.81Å; V37-F40 WeakPolarHBondContact O-CB 3.37Å; V37-F40 PolarHBondContact O-N 2.78Å; V37-Y41 HydrophobicContact CG1-CD2 3.73Å; V37-Y41 HydrophobicContact CG1-CE2 3.73Å; V37-Y41 VanDerWaalsContact O-CD2 3.3Å; V37-Y41 WeakPolarHBondContact O-CD2 3.28Å; V37-Y41 PolarHBondContact O-N 2.81Å
38	L	68.5	Low	66.4	Low	108 Å²	108	108.3 Å²	108.3	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-64.4	-40.8	175.7	-80.1	165	0	0	0	112.4	M34 I35 A42	M34-L38 HydrophobicContact CE-CD1 4.36Å; M34-L38 HydrophobicContact CG-CD1 4.25Å; M34-L38 WeakPolarHBondContact O-CB 3.36Å; M34-L38 WeakPolarHBondContact O-CG 3.15Å; M34-L38 PolarHBondContact O-N 2.73Å; I35-L38 PolarHBondContact O-N 3.15Å; L38-A42 VanDerWaalsContact O-CB 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 2.9Å
39	L	70.5	Confident	65.8	Low	90 Å²	90	107.2 Å²	107.2	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-38.3	174.4	-67.4	170.9	0	0	0	111.2	I35 A42 F43	I35-L39 HydrophobicContact CG2-CD1 3.61Å; I35-L39 HydrophobicContact CG2-CG 4.14Å; I35-L39 WeakPolarHBondContact O-CB 2.96Å; I35-L39 WeakPolarHBondContact O-CG 3.48Å; I35-L39 PolarHBondContact O-N 2.95Å; L39-A42 PolarHBondContact O-N 2.96Å; L39-F43 HydrophobicContact CB-CD2 4.37Å; L39-F43 HydrophobicContact CD2-CE2 3.99Å; L39-F43 WeakPolarHBondContact O-CB 3.04Å; L39-F43 VanDerWaalsContact O-CD2 3.27Å; L39-F43 WeakPolarHBondContact O-CD2 3.05Å; L39-F43 PolarHBondContact O-N 2.9Å
40	F	74.7	Confident	65.2	Low	126 Å²	126	107.6 Å²	107.6	55%	0.553	52%	0.524	S	S	*	.	H	α-helix	trans	-58.7	-54.7	172.9	-176.9	-95.3	0	0	0	110.6	G36 V37 A42 F43 Y44	G36-F40 VanDerWaalsContact O-CB 3.3Å; G36-F40 WeakPolarHBondContact O-CB 3.16Å; G36-F40 PolarHBondContact O-N 2.84Å; V37-F40 WeakPolarHBondContact O-CB 3.37Å; V37-F40 PolarHBondContact O-N 2.78Å; F40-A42 VanDerWaalsContact C-N 3.29Å; F40-A42 PolarHBondContact O-N 2.77Å; F40-F43 PolarHBondContact O-N 2.88Å; F40-Y44 HydrophobicContact CE1-CD2 4.07Å; F40-Y44 AromaticContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CE2 4.4Å; F40-Y44 WeakPolarHBondContact O-CB 3.19Å; F40-Y44 PolarHBondContact O-N 2.81Å
41	Y	67.8	Low	64.5	Low	165 Å²	165	110.1 Å²	110.1	65%	0.647	53%	0.533	S	S	*	.	H	α-helix	trans	-63.8	-29.5	177.5	-79.5	-69	0	0	0	114	V37 P45	V37-Y41 HydrophobicContact CG1-CD2 3.73Å; V37-Y41 HydrophobicContact CG1-CE2 3.73Å; V37-Y41 VanDerWaalsContact O-CD2 3.3Å; V37-Y41 WeakPolarHBondContact O-CD2 3.28Å; V37-Y41 PolarHBondContact O-N 2.81Å; Y41-P45 WeakPolarHBondContact O-CD 3.41Å
42	A	71.7	Confident	63.3	Low	66 Å²	66	112.6 Å²	112.6	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-75.3	-33.3	175.7	0	0	0	0	0	113.6	L38 L39 F40	L38-A42 VanDerWaalsContact O-CB 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 2.9Å; L39-A42 PolarHBondContact O-N 2.96Å; F40-A42 VanDerWaalsContact C-N 3.29Å; F40-A42 PolarHBondContact O-N 2.77Å
43	F	67.2	Low	61.7	Low	111 Å²	111	113.2 Å²	113.2	49%	0.487	54%	0.541	S	S	.	.	H	α-helix	trans	-100	-10.1	-179.6	-70.4	-63.3	0	0	0	114.3	L39 F40 L46 T47	L39-F43 HydrophobicContact CB-CD2 4.37Å; L39-F43 HydrophobicContact CD2-CE2 3.99Å; L39-F43 WeakPolarHBondContact O-CB 3.04Å; L39-F43 VanDerWaalsContact O-CD2 3.27Å; L39-F43 WeakPolarHBondContact O-CD2 3.05Å; L39-F43 PolarHBondContact O-N 2.9Å; F40-F43 PolarHBondContact O-N 2.88Å; F43-L46 HydrophobicContact CD1-CB 4.44Å; F43-L46 HydrophobicContact CD1-CD2 3.86Å; F43-L46 HydrophobicContact CE1-CD2 4.18Å; F43-L46 PolarHBondContact O-N 2.84Å; F43-L46 VanDerWaalsContact O-N 3.15Å; F43-T47 PolarHBondContact O-N 2.89Å; F43-T47 PolarHBondContact O-OG1 2.84Å
44	Y	69	Low	60.1	Low	129 Å²	129	114 Å²	114	51%	0.506	55%	0.553	S	S	.	*	H	α-helix	trans	-58	-45.3	174.8	-177.1	-95.8	0	0	0	112.5	F40 L46 T47 W48	F40-Y44 HydrophobicContact CE1-CD2 4.07Å; F40-Y44 AromaticContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CE2 4.4Å; F40-Y44 WeakPolarHBondContact O-CB 3.19Å; F40-Y44 PolarHBondContact O-N 2.81Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 2.83Å; Y44-T47 WeakPolarHBondContact CA-OG1 3.16Å; Y44-T47 PolarHBondContact O-N 3.47Å; Y44-T47 PolarHBondContact O-OG1 2.59Å; Y44-T47 VanDerWaalsContact O-OG1 3.05Å; Y44-W48 WeakPolarHBondContact O-CB 3.32Å; Y44-W48 PolarHBondContact O-N 3.4Å
45	P	65.6	Low	58.2	Low	79 Å²	79	114.4 Å²	114.4	51%	0.513	57%	0.565	S	S	.	*	H	α-helix	trans	-63.8	-36.7	173.6	-20.6	33.4	0	0	0	112.7	Y41 F49	Y41-P45 WeakPolarHBondContact O-CD 3.41Å; P45-F49 VanDerWaalsContact O-CB 3.26Å; P45-F49 WeakPolarHBondContact O-CB 3.39Å; P45-F49 PolarHBondContact O-N 2.91Å
46	L	52.3	Low	56.2	Low	96 Å²	96	120.4 Å²	120.4	50%	0.503	59%	0.591	S	S	.	*	H	α-helix	trans	-72.4	-38.7	-177.9	-161.7	75.2	0	0	0	111.9	F43 Y44 L50	F43-L46 HydrophobicContact CD1-CB 4.44Å; F43-L46 HydrophobicContact CD1-CD2 3.86Å; F43-L46 HydrophobicContact CE1-CD2 4.18Å; F43-L46 PolarHBondContact O-N 2.84Å; F43-L46 VanDerWaalsContact O-N 3.15Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 2.83Å; L46-L50 HydrophobicContact CG-CD1 4.3Å; L46-L50 WeakPolarHBondContact O-CB 3.27Å; L46-L50 WeakPolarHBondContact O-CD1 3.37Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 3.06Å
47	T	53.8	Low	54.4	Low	62 Å²	62	122.3 Å²	122.3	38%	0.38	60%	0.603	S	S	.	*	H	α-helix	trans	-69.4	-44.3	174.4	45.2	0	0	0	0	111	F43 Y44 F49 L50 F51	F43-T47 PolarHBondContact O-N 2.89Å; F43-T47 PolarHBondContact O-OG1 2.84Å; Y44-T47 WeakPolarHBondContact CA-OG1 3.16Å; Y44-T47 PolarHBondContact O-N 3.47Å; Y44-T47 PolarHBondContact O-OG1 2.59Å; Y44-T47 VanDerWaalsContact O-OG1 3.05Å; T47-F49 VanDerWaalsContact C-N 3.32Å; T47-F49 PolarHBondContact O-N 3.47Å; T47-L50 PolarHBondContact O-N 2.87Å; T47-L50 VanDerWaalsContact O-N 3.15Å; T47-F51 WeakPolarHBondContact O-CD2 3.48Å; T47-F51 PolarHBondContact O-N 3.19Å
48	W	52	Low	52.7	Low	142 Å²	142	126.4 Å²	126.4	54%	0.538	62%	0.622	S	S	.	*	H	α-helix	trans	-56.5	-44.2	172.5	-170.1	80.2	0	0	0	112	Y44 L50 R52	Y44-W48 WeakPolarHBondContact O-CB 3.32Å; Y44-W48 PolarHBondContact O-N 3.4Å; W48-L50 PolarHBondContact O-N 3.34Å; W48-R52 VanDerWaalsContact O-CB 3.24Å; W48-R52 WeakPolarHBondContact O-CB 3.49Å; W48-R52 PolarHBondContact O-N 3.27Å
49	F	49.3	Very low	50.9	Low	152 Å²	152	131.5 Å²	131.5	67%	0.667	64%	0.639	S	S	*	*	H	α-helix	trans	-68.1	-30.5	177	-163.9	-91.5	0	0	0	113.9	P45 T47	P45-F49 VanDerWaalsContact O-CB 3.26Å; P45-F49 WeakPolarHBondContact O-CB 3.39Å; P45-F49 PolarHBondContact O-N 2.91Å; T47-F49 VanDerWaalsContact C-N 3.32Å; T47-F49 PolarHBondContact O-N 3.47Å
50	L	49.2	Very low	48.8	Very low	110 Å²	110	138 Å²	138	58%	0.576	66%	0.658	S	S	*	*	H	α-helix	trans	-80.5	-35	177.6	-75.1	168.7	0	0	0	113	L46 T47 W48	L46-L50 HydrophobicContact CG-CD1 4.3Å; L46-L50 WeakPolarHBondContact O-CB 3.27Å; L46-L50 WeakPolarHBondContact O-CD1 3.37Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 3.06Å; T47-L50 PolarHBondContact O-N 2.87Å; T47-L50 VanDerWaalsContact O-N 3.15Å; W48-L50 PolarHBondContact O-N 3.34Å
51	F	49.8	Very low	46.5	Very low	183 Å²	183	137.1 Å²	137.1	80%	0.803	67%	0.667	S	S	*	*	H	α-helix	trans	-82.5	-24.5	176.9	-73.3	-66.6	0	0	0	113.2	T47 R53	T47-F51 WeakPolarHBondContact O-CD2 3.48Å; T47-F51 PolarHBondContact O-N 3.19Å; F51-R53 VanDerWaalsContact C-N 3.3Å; F51-R53 PolarHBondContact O-N 3.42Å
52	R	40.2	Very low	44.6	Very low	179 Å²	179	135.8 Å²	135.8	68%	0.675	68%	0.676	S	S	*	*			trans	-89.6	42.4	175.9	-154.5	-176.6	-174.3	-171.1	1.9	113.7	W48 P54	W48-R52 VanDerWaalsContact O-CB 3.24Å; W48-R52 WeakPolarHBondContact O-CB 3.49Å; W48-R52 PolarHBondContact O-N 3.27Å; R52-P54 WeakPolarHBondContact O-CD 3.37Å
53	R	32.7	Very low	42.5	Very low	209 Å²	209	138.2 Å²	138.2	79%	0.789	69%	0.686	S	S	*	*			trans	-83.7	120.6	164.5	-89.8	-167.4	171.9	-158.8	-2	110.1	F51	F51-R53 VanDerWaalsContact C-N 3.3Å; F51-R53 PolarHBondContact O-N 3.42Å
54	P	36.4	Very low	40.6	Very low	111 Å²	111	141.7 Å²	141.7	72%	0.721	70%	0.704	S	S	*	*			trans	-61.2	145.6	165.3	-18.9	32.2	0	0	0	110.6	R52 E56	R52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-E56 VanDerWaalsContact C-N 3.29Å; P54-E56 PolarHBondContact O-N 3.49Å
55	S	32.8	Very low	38.6	Very low	106 Å²	106	141 Å²	141	74%	0.741	72%	0.718	S	S	*	*			trans	-79.5	75.9	173.6	-167.9	0	0	0	0	110.9	A57	S55-A57 PolarHBondContact O-N 3.18Å
56	E	35.2	Very low	36.8	Very low	194 Å²	194	143.8 Å²	143.8	91%	0.907	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	57.2	165.4	-72	-154.8	110.3	0	0	111.3	P54	P54-E56 VanDerWaalsContact C-N 3.29Å; P54-E56 PolarHBondContact O-N 3.49Å
57	A	34.4	Very low	35.6	Very low	77 Å²	77	147.2 Å²	147.2	64%	0.636	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	13.4	-172	0	0	0	0	0	114.7	S55	S55-A57 PolarHBondContact O-N 3.18Å
58	L	33	Very low	34.4	Very low	160 Å²	160	147.4 Å²	147.4	84%	0.838	77%	0.766	S	S	*	*			trans	-137.1	39.6	174.6	-151.7	67.3	0	0	0	115.8
59	K	30.7	Very low	33.3	Very low	214 Å²	214	146.9 Å²	146.9	93%	0.93	78%	0.778	S	S	*	*			trans	-94.5	87.5	157.1	-79.4	-178.9	178.1	170.8	0	110
60	R	27.7	Very low	32.3	Very low	227 Å²	227	145.6 Å²	145.6	86%	0.857	78%	0.783	S	S	*	*			trans	-127.6	115.8	168.1	-97.3	-172.5	173	179.1	-1	111.9
61	S	25.8	Very low	31.2	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	79%	0.792	S	S	*	*			trans	46.6	90.2	151.5	58.1	0	0	0	0	118.2
62	V	27.6	Very low	30.1	Very low	138 Å²	138	149.1 Å²	149.1	84%	0.836	80%	0.797	S	S	*	*			trans	-83.6	120.3	136.9	177.3	0	0	0	0	106.9	Q64	V62-Q64 PolarHBondContact O-N 2.92Å
63	P	27.6	Very low	29.4	Very low	116 Å²	116	148.6 Å²	148.6	75%	0.753	81%	0.808	S	S	*	*			trans	-81.1	104.7	176.5	31	-31.5	0	0	0	110.3
64	Q	27.1	Very low	29.1	Very low	185 Å²	185	141.7 Å²	141.7	86%	0.864	80%	0.802	S	S	*	*			trans	-77.7	138.9	168.1	-107.7	-179.4	-16.9	0	0	110.9	V62	V62-Q64 PolarHBondContact O-N 2.92Å
65	S	27.5	Very low	28.5	Very low	114 Å²	114	144 Å²	144	80%	0.797	81%	0.809	S	S	*	*			trans	-69.5	127.6	-174.4	52.7	0	0	0	0	112.8	N67	S65-N67 PolarHBondContact O-N 3.42Å
66	V	27.7	Very low	28.3	Very low	137 Å²	137	145.2 Å²	145.2	83%	0.83	81%	0.812	S	S	*	*			trans	-80.3	112	165.6	179.1	0	0	0	0	109.3
67	N	27.8	Very low	27.8	Very low	169 Å²	169	145 Å²	145	90%	0.904	81%	0.808	S	S	*	*			trans	-122.6	117.3	150.1	-102.1	-16.1	0	0	0	105.8	S65	S65-N67 PolarHBondContact O-N 3.42Å
68	G	27.1	Very low	27.4	Very low	65 Å²	65	148.3 Å²	148.3	67%	0.67	82%	0.821	S	S	*	*			trans	-124.9	152.3	-169.6	0	0	0	0	0	113.3
69	T	29	Very low	27	Very low	131 Å²	131	147.5 Å²	147.5	80%	0.804	82%	0.817	S	S	*	*			trans	-144.7	126.3	161.9	35.7	0	0	0	0	108.7
70	T	28.5	Very low	26.6	Very low	126 Å²	126	148.4 Å²	148.4	77%	0.773	81%	0.814	S	S	*	*			trans	20.1	136.8	139.1	61.5	0	0	0	0	118.3
71	V	27.3	Very low	26.5	Very low	126 Å²	126	141.8 Å²	141.8	76%	0.764	80%	0.803	S	S	*	*			cis	-152.1	156.7	49.8	165.8	0	0	0	0	110.7
72	W	25.5	Very low	26.5	Very low	240 Å²	240	143.2 Å²	143.2	91%	0.909	80%	0.801	S	S	*	*			trans	-89.2	140.3	165.3	-81.2	59.4	0	0	0	111
73	D	26.4	Very low	26.3	Very low	168 Å²	168	144.6 Å²	144.6	90%	0.898	80%	0.798	S	S	*	*			trans	-145.8	159.2	144.4	-105.9	-39.5	0	0	0	109.6
74	G	25.6	Very low	26.3	Very low	65 Å²	65	143.6 Å²	143.6	67%	0.67	79%	0.793	S	S	*	*			trans	-118.4	-154.3	-161.8	0	0	0	0	0	116.6
75	D	25.3	Very low	26.3	Very low	159 Å²	159	142.9 Å²	142.9	85%	0.85	79%	0.79	S	S	*	*			trans	66.8	142.6	-176.3	-65.2	-23	0	0	0	116.8
76	T	27.1	Very low	26.3	Very low	132 Å²	132	142.9 Å²	142.9	81%	0.81	79%	0.786	S	S	*	*			cis	-137.1	149.4	0.8	-21.3	0	0	0	0	111.8
77	F	24.8	Very low	26.1	Very low	188 Å²	188	144.6 Å²	144.6	83%	0.825	79%	0.788	S	S	*	*			trans	-80.2	143.6	173.1	-103.9	-99.5	0	0	0	112.7
78	T	25.4	Very low	26	Very low	148 Å²	148	144.1 Å²	144.1	91%	0.908	78%	0.782	S	S	*	*				-161.1	125.3	129.6	1.1	0	0	0	0	111.4
79	L	25.1	Very low	26	Very low	143 Å²	143	149.4 Å²	149.4	75%	0.749	79%	0.79	S	S	*	*			trans	-155.7	122.2	-178.3	-162.4	172.2	0	0	0	110.3
80	R	23.4	Very low	25.9	Very low	233 Å²	233	149.2 Å²	149.2	88%	0.879	78%	0.784	S	S	*	*			trans	-166.3	129.5	160.1	-101.8	156.2	-171.4	-150.2	0.9	106.7
81	S	24	Very low	25.8	Very low	88 Å²	88	150.6 Å²	150.6	62%	0.615	78%	0.782	S	S	*	*			cis	72.4	142.1	36.5	94.9	0	0	0	0	112.7
82	I	26.4	Very low	25.8	Very low	137 Å²	137	150.3 Å²	150.3	70%	0.703	79%	0.785	S	S	*	*			cis	-164	-164	13.6	-143.5	162.5	0	0	0	111
83	Q	24.5	Very low	25.8	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	78%	0.781	S	S	*	*			trans	81.2	135.4	167.3	-85.7	135.6	5.7	0	0	117.3
84	S	26.5	Very low	25.8	Very low	95 Å²	95	143.1 Å²	143.1	66%	0.664	78%	0.778	S	S	*	*			cis	78.4	144.3	28.4	-49.1	0	0	0	0	113.7
85	E	27.9	Very low	25.9	Very low	170 Å²	170	146.7 Å²	146.7	79%	0.794	78%	0.779	S	S	*	*			cis	-159.1	152.6	12.2	-137.6	151.4	-123	0	0	113
86	T	27	Very low	26.1	Very low	115 Å²	115	146.8 Å²	146.8	71%	0.706	77%	0.771	S	S	*	*			trans	20.6	140.6	139.2	-52.6	0	0	0	0	123.4
87	I	24.1	Very low	26.3	Very low	172 Å²	172	146.4 Å²	146.4	88%	0.882	76%	0.76	S	S	*	*			trans	-167.6	169	133.9	-102.4	157.7	0	0	0	112.4
88	M	25.4	Very low	26.4	Very low	159 Å²	159	146.8 Å²	146.8	78%	0.783	76%	0.757	S	S	*	*			trans	-118.9	168.1	-161.1	-80.5	-88.7	-164.7	0	0	115.8
89	Q	26.9	Very low	26.7	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.822	75%	0.747	S	S	*	*			trans	87	115	141.2	-92.7	176.5	-44.7	0	0	124.2
90	D	26.9	Very low	26.8	Very low	128 Å²	128	148.1 Å²	148.1	68%	0.684	75%	0.749	S	S	*	*				100	151.5	115.5	-151.6	26.2	0	0	0	123.1
91	Q	27.3	Very low	27.2	Very low	155 Å²	155	145.1 Å²	145.1	72%	0.724	75%	0.745	S	S	*	*			trans	87.7	109.7	159.4	-47.8	-154.5	-2.7	0	0	124.2
92	S	25.7	Very low	28	Very low	119 Å²	119	146.8 Å²	146.8	83%	0.832	75%	0.754	S	S	*	*			trans	6.2	145	140.8	58.9	0	0	0	0	123.7
93	G	25.9	Very low	28.4	Very low	80 Å²	80	145.6 Å²	145.6	83%	0.825	75%	0.753	S	S	*	*			trans	-170.6	153.3	158.4	0	0	0	0	0	113.7
94	E	27.8	Very low	29.1	Very low	178 Å²	178	143.7 Å²	143.7	83%	0.832	76%	0.755	S	S	*	*			trans	-112.9	143.8	-173.2	-75.2	-168.2	101.2	0	0	115.6
95	M	26.4	Very low	29.2	Very low	140 Å²	140	147.7 Å²	147.7	69%	0.69	76%	0.763	S	S	*	*			trans	64.6	133.5	133.1	-175.1	169.8	48	0	0	123.4
96	K	30	Very low	29.3	Very low	160 Å²	160	147.8 Å²	147.8	70%	0.696	76%	0.764	S	S	*	*			trans	104.5	119.3	142.2	-100.1	168.8	-179.3	172.1	0	124.1
97	E	30.6	Very low	29.4	Very low	124 Å²	124	148.3 Å²	148.3	58%	0.579	76%	0.762	S	S	*	*			trans	67	118.6	131.7	-80.9	-176	112.9	0	0	125.3
98	R	28.2	Very low	29.7	Very low	197 Å²	197	146.2 Å²	146.2	74%	0.743	76%	0.758	S	S	*	*				86.4	123.9	127.5	-77.3	-170.8	-154.3	-120	-2.2	124.2
99	L	30.8	Very low	30.7	Very low	137 Å²	137	144.7 Å²	144.7	72%	0.717	76%	0.76	S	S	*	*				92.4	126.6	127.5	-76.8	168.5	0	0	0	122.5
100	K	26.9	Very low	30.9	Very low	181 Å²	181	141.4 Å²	141.4	79%	0.787	76%	0.756	S	S	*	*			trans	78.6	115	149.2	-70.3	-178.2	173.1	-170.2	0	121.2
101	E	31.4	Very low	31.7	Very low	170 Å²	170	140.8 Å²	140.8	79%	0.794	76%	0.759	S	S	*	*				32.6	140.4	106.3	-99.9	171.6	-143.3	0	0	119.4
102	P	42.6	Very low	31.7	Very low	124 Å²	124	140.3 Å²	140.3	81%	0.805	76%	0.761	S	S	*	*				-143.7	175.9	71.2	41.1	-25.3	0	0	0	117.8
103	V	33.7	Very low	31.8	Very low	111 Å²	111	144.7 Å²	144.7	67%	0.673	76%	0.76	S	S	*	*			trans	-88.6	161.2	172.1	176.6	0	0	0	0	110.5
104	P	39.1	Very low	31.9	Very low	126 Å²	126	146.8 Å²	146.8	82%	0.818	75%	0.752	S	S	*	*				-137.5	128.7	128.3	32.6	-18.3	0	0	0	114.7
105	Q	28.7	Very low	31.8	Very low	179 Å²	179	146.8 Å²	146.8	84%	0.836	75%	0.752	S	S	*	*			trans	-101.7	165.6	144.7	-70.3	-175.9	-45.3	0	0	107.7
106	E	30.6	Very low	31.9	Very low	172 Å²	172	147.7 Å²	147.7	80%	0.804	76%	0.755	S	S	*	*			trans	163.3	148.9	150.4	-86.6	-150.4	151.4	0	0	107.1
107	N	28.6	Very low	31.7	Very low	127 Å²	127	145.8 Å²	145.8	68%	0.679	75%	0.752	S	S	*	*			cis	-156.8	158.6	-15.5	-111	-18.1	0	0	0	110
108	T	31	Very low	31.5	Very low	128 Å²	128	148 Å²	148	79%	0.785	77%	0.767	S	S	*	*			trans	-88.9	165.2	164.9	53.8	0	0	0	0	111.3
109	P	45.9	Very low	32.3	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	76%	0.763	S	S	*	*				-144.6	161.8	99.3	37.3	-22.7	0	0	0	115.4
110	S	30.5	Very low	32.3	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	76%	0.763	S	S	*	*			trans	-91.3	168.4	168.9	61.1	0	0	0	0	111.4
111	P	43.9	Very low	32.4	Very low	116 Å²	116	138.5 Å²	138.5	75%	0.753	76%	0.762	S	S	*	*				-149.5	150.9	88.7	38.6	-21.2	0	0	0	117.3
112	N	28	Very low	32.2	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	77%	0.765	S	S	*	*			trans	39.7	120.5	146.1	-70.3	-18.2	0	0	0	122.9
113	R	28.2	Very low	31.5	Very low	211 Å²	211	139.1 Å²	139.1	80%	0.796	76%	0.759	S	S	*	*				98.4	142.1	122.5	-88.9	-167.2	-175.1	-149.7	3.6	121.9
114	D	26.7	Very low	31.4	Very low	124 Å²	124	141.4 Å²	141.4	66%	0.663	76%	0.76	S	S	*	*			trans	72.1	147.8	150.9	-52	-19.9	0	0	0	120.4
115	E	26.5	Very low	31	Very low	178 Å²	178	141.4 Å²	141.4	83%	0.832	75%	0.753	S	S	*	*			trans	62.5	101.8	161.7	-69.6	175.5	176.8	0	0	122.4
116	E	27.7	Very low	31.1	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.743	75%	0.75	S	S	*	*				70.8	138.9	113	-73.2	-147.2	139.2	0	0	124.9
117	N	25.8	Very low	31	Very low	120 Å²	120	140 Å²	140	64%	0.642	75%	0.746	S	S	*	*			trans	57.3	124.5	138.6	-69.2	-38.5	0	0	0	121.9
118	L	27.2	Very low	31	Very low	170 Å²	170	139 Å²	139	89%	0.89	74%	0.74	S	S	*	*				-170.5	154.3	125	-93.6	157.8	0	0	0	108.8
119	P	44	Very low	30.8	Very low	101 Å²	101	139.5 Å²	139.5	66%	0.656	74%	0.738	S	S	*	*				-146.6	177.3	-119.1	43.5	-24.6	0	0	0	118.3
120	A	31.1	Very low	30	Very low	88 Å²	88	138 Å²	138	73%	0.727	74%	0.737	S	S	*	*			trans	65.3	166.6	148.9	0	0	0	0	0	117.9
121	V	28.6	Very low	29.9	Very low	127 Å²	127	137.7 Å²	137.7	77%	0.77	74%	0.74	S	S	*	*			cis	-136.2	138.2	3.5	-140.5	0	0	0	0	106.8
122	L	26.9	Very low	29.2	Very low	164 Å²	164	136.3 Å²	136.3	86%	0.859	74%	0.738	S	S	*	*				-167.4	142.5	79.6	-92.7	167.5	0	0	0	112.5
123	Q	29.8	Very low	29.3	Very low	142 Å²	142	138 Å²	138	66%	0.664	74%	0.742	S	S	*	*			trans	-90.8	-179.7	160.6	-66.6	177.2	-31.5	0	0	109
124	K	30.9	Very low	29.2	Very low	160 Å²	160	133.6 Å²	133.6	70%	0.696	74%	0.738	S	S	*	*			cis	-159.1	132.4	23.4	-128.3	132.1	-177.9	158.4	0	106.1
125	D	31.2	Very low	29.1	Very low	126 Å²	126	132.5 Å²	132.5	67%	0.674	74%	0.736	S	S	*	*				92.8	157.8	67.9	-80.5	-23.7	0	0	0	114.9
126	M	29.8	Very low	29.1	Very low	157 Å²	157	130.6 Å²	130.6	77%	0.773	73%	0.732	S	S	*	*			trans	89.5	109.3	164.4	-55.3	-165.2	69.9	0	0	117.4
127	K	28.6	Very low	29	Very low	165 Å²	165	129.8 Å²	129.8	72%	0.717	73%	0.73	S	S	*	*				94.5	146.2	72.8	-78.2	-147.2	-178.2	-174.9	0	111.2
128	N	28.6	Very low	29	Very low	105 Å²	105	131.9 Å²	131.9	56%	0.561	74%	0.736	S	S	*	*			cis	-163.9	170.3	-4.3	-122.1	34.7	0	0	0	111.9
129	D	27.1	Very low	28.9	Very low	139 Å²	139	130.1 Å²	130.1	74%	0.743	73%	0.732	S	S	*	*			trans	54.7	134.6	145	-51.5	-27	0	0	0	124.7
130	A	28.4	Very low	28	Very low	96 Å²	96	131.2 Å²	131.2	79%	0.793	74%	0.737	S	S	*	*				132.6	151.5	118.9	0	0	0	0	0	118
131	A	29	Very low	27.8	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	74%	0.737	S	S	*	*			trans	59.2	110.8	172.3	0	0	0	0	0	117.4
132	A	29.6	Very low	27.7	Very low	86 Å²	86	135.1 Å²	135.1	71%	0.711	74%	0.74	S	S	*	*			cis	91	117.6	12.7	0	0	0	0	0	118.1
133	Q	29	Very low	27.6	Very low	182 Å²	182	136.1 Å²	136.1	85%	0.85	74%	0.74	S	S	*	*			trans	69.9	151.8	144.8	-63.4	179.1	-15.8	0	0	118.6
134	T	26.9	Very low	27.4	Very low	117 Å²	117	136.1 Å²	136.1	72%	0.718	74%	0.74	S	S	*	*			cis	-161.7	-177	-12.1	23.3	0	0	0	0	107.4
135	T	24.8	Very low	27.2	Very low	102 Å²	102	137.9 Å²	137.9	63%	0.626	74%	0.743	S	S	*	*			cis	-155.8	-178.5	11.7	-14.3	0	0	0	0	109.6
136	D	26.7	Very low	27	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	75%	0.752	S	S	*	*			trans	43.8	158.4	141.3	-58.2	-21.3	0	0	0	123
137	M	25.2	Very low	27.2	Very low	142 Å²	142	140.6 Å²	140.6	70%	0.7	75%	0.754	S	S	*	*			cis	164.4	151.5	-32	-109	-166.4	69.1	0	0	106.5
138	Q	26.5	Very low	27.7	Very low	165 Å²	165	138.5 Å²	138.5	77%	0.771	76%	0.758	S	S	*	*			trans	66.7	161.8	169.7	-69.3	162.8	-25.7	0	0	115.7
139	T	24.8	Very low	27.8	Very low	132 Å²	132	142.7 Å²	142.7	81%	0.81	77%	0.771	S	S	*	*			cis	-137.7	176.8	11.7	-23	0	0	0	0	113.1
140	T	25	Very low	28.1	Very low	125 Å²	125	144.1 Å²	144.1	77%	0.767	78%	0.775	S	S	*	*			trans	-89.1	-177.2	-179.7	47.8	0	0	0	0	114.5
141	V	26.2	Very low	28	Very low	121 Å²	121	143.3 Å²	143.3	73%	0.733	78%	0.776	S	S	*	*			trans	121.1	113.5	171.2	171.2	0	0	0	0	108.8
142	E	25.9	Very low	28.1	Very low	175 Å²	175	146.5 Å²	146.5	82%	0.818	78%	0.779	S	S	*	*			cis	78.2	151.7	43.5	-63.9	-163.2	129.7	0	0	115.3
143	E	26.7	Very low	28	Very low	185 Å²	185	146 Å²	146	86%	0.864	78%	0.782	S	S	*	*			trans	65.1	149.9	177	-66.1	-179.3	173.9	0	0	117.9
144	E	25.4	Very low	27.9	Very low	143 Å²	143	146.9 Å²	146.9	67%	0.668	79%	0.786	S	S	*	*			cis	-151.6	-172.2	-39.2	-135.2	-155.5	152	0	0	111.2
145	R	26.8	Very low	27.9	Very low	197 Å²	197	150.4 Å²	150.4	74%	0.743	79%	0.792	S	S	*	*			trans	-66.4	153.1	-177.5	-53.5	154.3	173.7	134.1	1	113.9
146	E	25.6	Very low	27.9	Very low	186 Å²	186	152.5 Å²	152.5	87%	0.869	80%	0.804	S	S	*	*				171.1	150.7	101.9	-93.2	-170.7	170.2	0	0	113.6
147	D	34.2	Very low	27.9	Very low	153 Å²	153	151.9 Å²	151.9	82%	0.818	81%	0.805	S	S	*	*			trans	-81.3	157	164.3	-73	-64.6	0	0	0	110.7
148	P	40.4	Very low	27.7	Very low	122 Å²	122	151.6 Å²	151.6	79%	0.792	81%	0.805	S	S	*	*				-148.8	126	113.1	32.8	-14.6	0	0	0	117.9
149	K	30	Very low	27.7	Very low	192 Å²	192	150.8 Å²	150.8	84%	0.835	80%	0.801	S	S	*	*			trans	30.3	128.9	131.3	-72.8	179.9	176.4	173.7	0	122.7
150	M	33.3	Very low	27.8	Very low	170 Å²	170	149.7 Å²	149.7	84%	0.837	79%	0.79	S	S	*	*				69.2	133.7	128.7	-64.3	-73	-89.4	0	0	121.4
151	G	26.4	Very low	27.9	Very low	78 Å²	78	149.5 Å²	149.5	80%	0.804	78%	0.783	S	S	*	*			trans	-174.2	112.6	159.5	0	0	0	0	0	111.3
152	D	30.6	Very low	27.9	Very low	166 Å²	166	151 Å²	151	89%	0.888	78%	0.784	S	S	*	*			trans	-79.3	155.9	175.8	-82.3	-55.4	0	0	0	112.4
153	G	27.9	Very low	28	Very low	75 Å²	75	150.8 Å²	150.8	77%	0.773	78%	0.783	S	S	*	*			trans	-156.7	136.5	173.4	0	0	0	0	0	112.1
154	E	27.1	Very low	28.1	Very low	201 Å²	201	146.4 Å²	146.4	94%	0.939	77%	0.766	S	S	*	*			trans	-85.5	169.6	-168.1	-76.8	-166.5	93.6	0	0	116
155	K	27.4	Very low	28.1	Very low	192 Å²	192	147 Å²	147	84%	0.835	77%	0.773	S	S	*	*			trans	-58.3	155.4	171.1	-54	165.7	-179.9	169.6	0	112.1
156	V	24.3	Very low	28.2	Very low	146 Å²	146	143.2 Å²	143.2	89%	0.885	76%	0.764	S	S	*	*				-168.3	158.7	111.3	139.3	0	0	0	0	111.4
157	V	25.5	Very low	28.1	Very low	123 Å²	123	142.5 Å²	142.5	75%	0.745	77%	0.766	S	S	*	*			trans	-78.9	163.2	-175.2	-178.3	0	0	0	0	111.5
158	L	22.7	Very low	27.9	Very low	136 Å²	136	141.4 Å²	141.4	71%	0.712	76%	0.756	S	S	*	*				144	125.9	122.7	-161.9	71.1	0	0	0	117.1
159	H	26.2	Very low	27.1	Very low	149 Å²	149	145.7 Å²	145.7	69%	0.69	76%	0.762	S	S	*	*			trans	60.4	160.6	153.5	-78.5	-49.7	0	0	0	119.6
160	D	25.7	Very low	27	Very low	109 Å²	109	144.4 Å²	144.4	58%	0.583	76%	0.759	S	S	*	*			cis	-158.5	175.3	-3.4	-129.5	-17.6	0	0	0	116.7
161	I	27.7	Very low	26.6	Very low	120 Å²	120	143.5 Å²	143.5	62%	0.615	76%	0.756	S	S	*	*			trans	47	119.2	142.8	-73	160.8	0	0	0	118.9
162	M	27	Very low	26.6	Very low	154 Å²	154	144.1 Å²	144.1	76%	0.759	75%	0.748	S	S	*	*				74.3	120.5	57.7	-71	-169.2	66.6	0	0	116.8
163	H	28.2	Very low	26.5	Very low	170 Å²	170	142.7 Å²	142.7	79%	0.787	75%	0.746	S	S	*	*			trans	-169.5	121.9	133.3	-96.1	-66.8	0	0	0	105.7
164	D	28.3	Very low	26.4	Very low	93 Å²	93	145.2 Å²	145.2	50%	0.497	75%	0.752	S	S	.	*			cis	78.5	119.8	39.3	-170.9	31.9	0	0	0	114.5
165	N	25.5	Very low	26.4	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	75%	0.748	S	S	*	*			trans	-160.5	129.6	134.5	-114.3	-55.2	0	0	0	110.7
166	Q	27.7	Very low	26.3	Very low	117 Å²	117	135.7 Å²	135.7	55%	0.547	74%	0.743	S	S	.	*			trans	-84.9	173	179.5	-53	165.8	-70.9	0	0	111.9	E168	Q166-E168 PolarHBondContact NE2-OE1 2.96Å; Q166-E168 VanDerWaalsContact NE2-OE1 3.11Å
167	N	24.6	Very low	26.6	Very low	171 Å²	171	136.2 Å²	136.2	91%	0.914	74%	0.74	S	S	*	*				-153.9	136.8	122.3	-117.6	-57	0	0	0	111.4
168	E	29.6	Very low	26.6	Very low	131 Å²	131	138.1 Å²	138.1	61%	0.612	75%	0.746	S	S	*	*			trans	-107.1	166.2	-170.9	-58.5	170.6	145.2	0	0	111.3	Q166	Q166-E168 PolarHBondContact NE2-OE1 2.96Å; Q166-E168 VanDerWaalsContact NE2-OE1 3.11Å
169	K	24.6	Very low	27	Very low	212 Å²	212	137.8 Å²	137.8	92%	0.922	75%	0.75	S	S	*	*				-159.1	134.3	129.5	-115.2	167.1	-173.2	176.1	0	113.5
170	E	26.3	Very low	26.9	Very low	165 Å²	165	138.5 Å²	138.5	77%	0.771	76%	0.759	S	S	*	*			trans	-84.2	172.2	179.5	-46.4	162.3	100.6	0	0	111.9
171	I	26	Very low	27	Very low	150 Å²	150	136.3 Å²	136.3	77%	0.769	76%	0.761	S	S	*	*				178.6	128	107	-91.4	173.5	0	0	0	112.9
172	S	25.9	Very low	27.1	Very low	92 Å²	92	138.6 Å²	138.6	64%	0.643	77%	0.773	S	S	*	*			trans	30.4	117.1	155.6	74.8	0	0	0	0	123.8
173	T	27.8	Very low	27.1	Very low	135 Å²	135	138.9 Å²	138.9	83%	0.828	78%	0.777	S	S	*	*				16.3	134.6	123.4	59.7	0	0	0	0	121.6
174	S	25.5	Very low	27	Very low	129 Å²	129	139.6 Å²	139.6	90%	0.902	78%	0.778	S	S	*	*			trans	-153.9	175.5	133.5	63.1	0	0	0	0	111.2
175	S	29	Very low	27	Very low	123 Å²	123	141.7 Å²	141.7	86%	0.86	79%	0.788	S	S	*	*			trans	-126.2	156.4	-161.6	56.8	0	0	0	0	114.2
176	G	25.2	Very low	27	Very low	70 Å²	70	143 Å²	143	72%	0.722	79%	0.793	S	S	*	*			trans	121.5	111.3	145.6	0	0	0	0	0	117
177	D	29.2	Very low	27	Very low	156 Å²	156	142.5 Å²	142.5	83%	0.834	80%	0.799	S	S	*	*			trans	17.5	124.7	142.7	-45	-25	0	0	0	119.9
178	N	25.3	Very low	27.1	Very low	164 Å²	164	141.6 Å²	141.6	88%	0.877	79%	0.793	S	S	*	*				-158.9	159.6	105.3	-118.4	-46.7	0	0	0	114.2
179	V	31.1	Very low	27	Very low	129 Å²	129	142.7 Å²	142.7	78%	0.782	80%	0.803	S	S	*	*			trans	-118.2	126.6	175.8	176	0	0	0	0	108.2
180	D	25.5	Very low	27.1	Very low	164 Å²	164	135.7 Å²	135.7	88%	0.877	79%	0.791	S	S	*	*				-177.7	151.1	124.7	-143.9	-18.2	0	0	0	112.3
181	G	26.6	Very low	27.1	Very low	62 Å²	62	134.1 Å²	134.1	64%	0.639	80%	0.799	S	S	*	*			trans	72.4	148	174.5	0	0	0	0	0	115.9
182	I	30.1	Very low	27.1	Very low	168 Å²	168	134.5 Å²	134.5	86%	0.862	80%	0.799	S	S	*	*			cis	-131.9	126.6	7.1	-65.1	172.2	0	0	0	109.6
183	L	27.7	Very low	27.1	Very low	161 Å²	161	139.5 Å²	139.5	84%	0.843	81%	0.812	S	S	*	*			trans	-117.3	113.3	160.8	178.3	78.8	0	0	0	108.4
184	K	26.4	Very low	27.1	Very low	184 Å²	184	141.8 Å²	141.8	80%	0.8	81%	0.81	S	S	*	*			trans	166.6	163.7	148.3	-94.3	159.5	-172	177.6	0	112.5
185	I	27.9	Very low	27	Very low	138 Å²	138	142.3 Å²	142.3	71%	0.708	81%	0.809	S	S	*	*			trans	68.2	83.6	168.8	-33.6	-171.6	0	0	0	116.4
186	L	26.1	Very low	26.8	Very low	181 Å²	181	144 Å²	144	95%	0.948	81%	0.808	S	S	*	*				-126.6	101.5	124.6	-78	-177.7	0	0	0	108.4
187	T	26	Very low	26.6	Very low	108 Å²	108	146.2 Å²	146.2	66%	0.663	81%	0.811	S	S	*	*			trans	-144.4	131.3	172.8	47.1	0	0	0	0	108.2
188	L	27.7	Very low	26.6	Very low	151 Å²	151	144.9 Å²	144.9	79%	0.791	81%	0.811	S	S	*	*			trans	68.1	117.5	171.8	-66.6	155.8	0	0	0	116.9
189	D	28.1	Very low	26.6	Very low	155 Å²	155	145.9 Å²	145.9	83%	0.829	81%	0.81	S	S	*	*				38.7	139.7	123.8	-54.9	-9.6	0	0	0	121.2
190	G	25.8	Very low	26.4	Very low	65 Å²	65	148 Å²	148	67%	0.67	81%	0.812	S	S	*	*				138	90.1	119.1	0	0	0	0	0	118.2
191	S	25.9	Very low	26.4	Very low	132 Å²	132	145.8 Å²	145.8	92%	0.923	80%	0.8	S	S	*	*			trans	69.5	177.3	148.8	79.8	0	0	0	0	118.5
192	M	26.3	Very low	26.4	Very low	157 Å²	157	154.2 Å²	154.2	77%	0.773	81%	0.812	S	S	*	*			trans	-114	141.3	-165.9	-55.4	162.6	62.1	0	0	111.2
193	E	26.6	Very low	26.3	Very low	197 Å²	197	151.8 Å²	151.8	92%	0.921	81%	0.81	S	S	*	*			trans	-125	144	145.4	-74.3	-148.8	127	0	0	110.8
194	K	26.1	Very low	26.3	Very low	183 Å²	183	151.9 Å²	151.9	80%	0.796	80%	0.804	S	S	*	*			trans	-98.1	130.6	175	-69.6	174	176.2	174.4	0	108.9
195	T	24.7	Very low	26.2	Very low	141 Å²	141	149.9 Å²	149.9	87%	0.865	81%	0.807	S	S	*	*			trans	-132.1	140.4	160.7	19.3	0	0	0	0	111.6
196	N	23.7	Very low	26.3	Very low	158 Å²	158	149.5 Å²	149.5	85%	0.845	80%	0.803	S	S	*	*			trans	-62.8	152.4	-160.4	-57.8	-43.1	0	0	0	115.6
197	C	22.5	Very low	26.2	Very low	117 Å²	117	149 Å²	149	79%	0.791	80%	0.801	S	S	*	*			trans	-61.8	168.1	157.1	-49.1	0	0	0	0	111.5
198	P	28.6	Very low	26.3	Very low	127 Å²	127	153.4 Å²	153.4	83%	0.825	81%	0.805	S	S	*	*				-119.4	149.7	115.4	34.1	-33.9	0	0	0	112.8
199	E	25.6	Very low	26.3	Very low	186 Å²	186	153.6 Å²	153.6	87%	0.869	80%	0.8	S	S	*	*			trans	-73.2	159	172.4	-54.3	172.4	101.2	0	0	111.6
200	Q	26.4	Very low	26.3	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	79%	0.786	S	S	*	*				-159	137.2	122.8	-112.9	-177.8	35.7	0	0	115.1
201	N	26.1	Very low	26.3	Very low	118 Å²	118	156 Å²	156	63%	0.631	79%	0.791	S	S	*	*			trans	63.9	90.8	147.3	-64.2	-34.5	0	0	0	121
202	R	26.2	Very low	26.3	Very low	238 Å²	238	157.8 Å²	157.8	90%	0.898	79%	0.789	S	S	*	*				35.6	123.4	114.6	-69.7	177	167.3	-178.8	-3	118.4
203	S	27.1	Very low	26.3	Very low	118 Å²	118	159 Å²	159	83%	0.825	79%	0.792	S	S	*	*				-152.2	148.6	99.5	64.2	0	0	0	0	111.5
204	K	27.3	Very low	26.2	Very low	163 Å²	163	154.6 Å²	154.6	71%	0.709	79%	0.79	S	S	*	*			trans	-99.4	151.1	170.7	-78.8	-173	164.7	-161	0	109.1	E206	K204-E206 WeakPolarHBondContact CD-OE2 3.5Å; K204-E206 WeakPolarHBondContact CE-OE2 3.43Å; K204-E206 IonicContact NZ-OE2 2.62Å; K204-E206 PolarHBondContact NZ-OE2 3.38Å
205	T	25.7	Very low	26.3	Very low	141 Å²	141	150.6 Å²	150.6	87%	0.865	79%	0.785	S	S	*	*			trans	-143.9	107.7	137.7	-60.3	0	0	0	0	108.5
206	E	28.6	Very low	26.4	Very low	131 Å²	131	151 Å²	151	61%	0.612	78%	0.782	S	S	*	*			trans	-84.7	145.2	165.4	-68.4	164.2	78.5	0	0	108.3	K204	K204-E206 WeakPolarHBondContact CD-OE2 3.5Å; K204-E206 WeakPolarHBondContact CE-OE2 3.43Å; K204-E206 IonicContact NZ-OE2 2.62Å; K204-E206 PolarHBondContact NZ-OE2 3.38Å
207	N	24.9	Very low	26.6	Very low	169 Å²	169	147.6 Å²	147.6	90%	0.904	78%	0.776	S	S	*	*			trans	-151.9	154.5	134.5	-115.9	-35	0	0	0	112.2
208	R	27.4	Very low	26.8	Very low	201 Å²	201	149 Å²	149	76%	0.758	78%	0.775	S	S	*	*			trans	-150.3	142.6	-159.5	164.5	-171.7	171.3	-178.7	1.8	108.5	E210	R208-E210 IonicContact NE-OE1 2.67Å
209	K	28.1	Very low	26.7	Very low	156 Å²	156	149.5 Å²	149.5	68%	0.678	78%	0.776	S	S	*	*			trans	166.8	123.8	144.5	-94.3	180	176.5	-61	0	108.6
210	E	28.2	Very low	26.8	Very low	115 Å²	115	145.3 Å²	145.3	54%	0.537	77%	0.768	S	S	.	*				66.7	147.3	84.2	-70.6	166.7	-142.4	0	0	113.3	R208	R208-E210 IonicContact NE-OE1 2.67Å
211	M	26.2	Very low	26.8	Very low	156 Å²	156	147.1 Å²	147.1	77%	0.768	77%	0.773	S	S	*	*			cis	178.3	145.1	-17.9	172.8	170.5	67.2	0	0	106.4
212	L	25.3	Very low	26.8	Very low	169 Å²	169	146.3 Å²	146.3	89%	0.885	78%	0.777	S	S	*	*			trans	-163.2	146.9	160.1	-111.4	163.7	0	0	0	112
213	Q	26	Very low	27.1	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	77%	0.771	S	S	*	*			trans	-132.2	149.5	173.9	-67.5	177.7	-63	0	0	109.4
214	A	25.2	Very low	27	Very low	106 Å²	106	142.3 Å²	142.3	88%	0.876	77%	0.77	S	S	*	*			trans	-161.3	155.3	154	0	0	0	0	0	110.1
215	S	27.7	Very low	27.1	Very low	99 Å²	99	143.7 Å²	143.7	69%	0.692	78%	0.779	S	S	*	*			trans	-97.9	-176.2	176.6	54.1	0	0	0	0	110.6
216	D	27.9	Very low	27.2	Very low	148 Å²	148	142 Å²	142	79%	0.791	77%	0.772	S	S	*	*			cis	-163.2	174.8	28.7	-116.8	-50.3	0	0	0	113.4
217	A	27.6	Very low	27.4	Very low	88 Å²	88	145.9 Å²	145.9	73%	0.727	78%	0.781	S	S	*	*			trans	70.4	95.8	152.5	0	0	0	0	0	123.1
218	D	26.6	Very low	27.6	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	78%	0.776	S	S	*	*				56.8	113.4	111.2	-165.4	29.1	0	0	0	123
219	T	27.1	Very low	27.6	Very low	138 Å²	138	141.6 Å²	141.6	85%	0.847	77%	0.773	S	S	*	*				-167.2	154.2	115.5	12.6	0	0	0	0	114.1
220	S	26.1	Very low	27.6	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	78%	0.782	S	S	*	*			trans	-81.7	152.4	-166.5	63.5	0	0	0	0	117.6
221	K	27.9	Very low	27.6	Very low	211 Å²	211	145.9 Å²	145.9	92%	0.917	79%	0.791	S	S	*	*				-172.2	134.8	118.9	-103.9	164.5	-173.8	177.1	0	113.3
222	S	25.8	Very low	27.6	Very low	101 Å²	101	144.9 Å²	144.9	71%	0.706	79%	0.793	S	S	*	*			trans	-117.5	168.1	175.9	52.7	0	0	0	0	111.8
223	P	31.3	Very low	27.7	Very low	120 Å²	120	143.1 Å²	143.1	78%	0.779	79%	0.789	S	S	*	*			trans	-131.3	101.9	144.6	33.5	-18.6	0	0	0	112.1
224	D	26.6	Very low	27.7	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	79%	0.792	S	S	*	*			trans	27.8	104	148.5	-47.8	-19.1	0	0	0	120.3
225	E	29.6	Very low	27.6	Very low	193 Å²	193	139.8 Å²	139.8	90%	0.902	79%	0.785	S	S	*	*			trans	-111.2	140.9	147.9	-69.1	-170.3	146.3	0	0	109
226	C	28.1	Very low	27.6	Very low	104 Å²	104	142.7 Å²	142.7	70%	0.703	79%	0.793	S	S	*	*			trans	-173.9	131.6	-164.6	135.9	0	0	0	0	109
227	W	31.8	Very low	27.7	Very low	213 Å²	213	141.6 Å²	141.6	81%	0.807	79%	0.794	S	S	*	*			cis	-145.8	-176.7	-15.6	-85.3	113.1	0	0	0	104.4
228	D	28.4	Very low	27.5	Very low	149 Å²	149	144.7 Å²	144.7	80%	0.797	80%	0.798	S	S	*	*			cis	-145	152.5	29.9	-69.6	-67.4	0	0	0	111.5
229	D	28.3	Very low	27.5	Very low	132 Å²	132	145.3 Å²	145.3	71%	0.706	80%	0.8	S	S	*	*			trans	-139.5	135.3	177.1	-150.8	-5.7	0	0	0	108.9
230	Y	28	Very low	27.5	Very low	220 Å²	220	143.7 Å²	143.7	86%	0.863	80%	0.795	S	S	*	*			trans	-115.3	89.7	-177.4	-99.2	-83.8	0	0	0	111.1
231	I	27.9	Very low	27.4	Very low	141 Å²	141	146.4 Å²	146.4	72%	0.723	80%	0.801	S	S	*	*			trans	-84.3	127.8	175.9	-62.7	176.9	0	0	0	110.7
232	V	26.9	Very low	27.3	Very low	135 Å²	135	142.3 Å²	142.3	82%	0.818	80%	0.799	S	S	*	*			trans	-112.7	141.3	161.9	177.6	0	0	0	0	108.7
233	T	26.5	Very low	27.4	Very low	131 Å²	131	145.9 Å²	145.9	80%	0.804	81%	0.805	S	S	*	*			trans	-82.6	160.7	-167.6	34.1	0	0	0	0	114.5
234	T	25.7	Very low	27.1	Very low	145 Å²	145	147.1 Å²	147.1	89%	0.89	81%	0.81	S	S	*	*			trans	-76.5	149.3	-170.7	42.5	0	0	0	0	114.5
235	G	24.7	Very low	27	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	81%	0.809	S	S	*	*			trans	-145.9	118.9	169.3	0	0	0	0	0	111.6
236	N	26.9	Very low	26.8	Very low	160 Å²	160	147.1 Å²	147.1	86%	0.856	81%	0.808	S	S	*	*			trans	-80.2	145.9	176.7	-71.8	-21.2	0	0	0	111.8
237	P	30.2	Very low	26.7	Very low	126 Å²	126	150.6 Å²	150.6	82%	0.818	81%	0.811	S	S	*	*			trans	-109.7	153.2	145	34	-25.9	0	0	0	111.9
238	L	24.1	Very low	26.5	Very low	152 Å²	152	148.4 Å²	148.4	80%	0.796	81%	0.813	S	S	*	*			trans	-124.1	149.3	179.9	-102.4	167.3	0	0	0	109.6
239	L	26.1	Very low	26.5	Very low	159 Å²	159	148.7 Å²	148.7	83%	0.832	82%	0.815	S	S	*	*			trans	68.7	151	164.3	-60.9	161.5	0	0	0	115.8
240	S	25.6	Very low	26.7	Very low	104 Å²	104	150.8 Å²	150.8	73%	0.727	82%	0.82	S	S	*	*			cis	-162	155.3	-11.5	42.9	0	0	0	0	111.4
241	N	25.4	Very low	26.9	Very low	155 Å²	155	147.9 Å²	147.9	83%	0.829	81%	0.814	S	S	*	*			trans	-60.7	153.4	171.3	-71.6	-23.5	0	0	0	113.7
242	S	26.1	Very low	27	Very low	126 Å²	126	149.5 Å²	149.5	88%	0.881	82%	0.819	S	S	*	*			trans	-153.2	134.8	142.9	-79.7	0	0	0	0	110.3
243	Q	26.7	Very low	27.4	Very low	175 Å²	175	150.9 Å²	150.9	82%	0.818	82%	0.822	S	S	*	*			trans	-101.1	152.9	177.2	-63.9	173.5	-42.9	0	0	110.2
244	T	24.7	Very low	27.8	Very low	147 Å²	147	149.2 Å²	149.2	90%	0.902	82%	0.821	S	S	*	*			trans	-144.5	129.1	148.5	0.6	0	0	0	0	111
245	F	24.8	Very low	28.4	Very low	176 Å²	176	150.8 Å²	150.8	77%	0.772	82%	0.818	S	S	*	*			trans	-75.9	156.7	167.9	-103	-110.2	0	0	0	110.8
246	L	25	Very low	29.1	Very low	168 Å²	168	153.6 Å²	153.6	88%	0.88	82%	0.821	S	S	*	*			trans	-158.9	144.2	137	-108.5	168.4	0	0	0	110.5
247	K	26.4	Very low	29.6	Very low	176 Å²	176	148.5 Å²	148.5	77%	0.765	81%	0.806	S	S	*	*			trans	-105.8	149.6	169.8	-77.9	-171.6	171.6	-166.6	0	109.4
248	I	28.6	Very low	30.1	Very low	167 Å²	167	153.3 Å²	153.3	86%	0.856	81%	0.808	S	S	*	*			trans	-139.6	147.7	159.2	-61.4	-174.6	0	0	0	108.1
249	D	27.9	Very low	31	Very low	155 Å²	155	154.1 Å²	154.1	83%	0.829	81%	0.808	S	S	*	*			trans	-89.2	-173.5	-174.1	-74.3	-54.7	0	0	0	114.4
250	E	33.4	Very low	31.6	Very low	176 Å²	176	154.8 Å²	154.8	82%	0.822	80%	0.804	S	S	*	*			trans	-75.2	170.6	-173.1	-53.5	-176.9	103	0	0	116.3
251	Q	31.1	Very low	32.3	Very low	159 Å²	159	156 Å²	156	74%	0.743	81%	0.81	S	S	*	*			trans	65.6	106.2	160.8	-64.9	-176.2	-5.7	0	0	119.4
252	H	29.1	Very low	33.3	Very low	175 Å²	175	154.5 Å²	154.5	81%	0.81	81%	0.806	S	S	*	*				-174.4	158.3	96.8	-105	-72.4	0	0	0	113.2
253	D	37	Very low	34.3	Very low	165 Å²	165	151 Å²	151	88%	0.882	79%	0.79	S	S	*	*			trans	-63.7	129.6	172.4	-72.7	-70.9	0	0	0	113.4
254	A	34.9	Very low	35.2	Very low	95 Å²	95	149.6 Å²	149.6	79%	0.785	80%	0.796	S	S	*	*			trans	-150.7	142.7	158.6	0	0	0	0	0	110.6
255	Q	38.1	Very low	36.7	Very low	179 Å²	179	146.1 Å²	146.1	84%	0.836	79%	0.789	S	S	*	*			trans	-78.5	132.3	-170.6	-66.4	168.9	-21.5	0	0	112.6	G257	Q255-G257 PolarHBondContact O-N 3.31Å; Q255-G257 VanDerWaalsContact O-N 3.15Å
256	T	39.6	Very low	37.6	Very low	131 Å²	131	145.3 Å²	145.3	80%	0.804	79%	0.792	S	S	*	*			trans	-77.1	95.8	174.7	51.7	0	0	0	0	111.8
257	G	37.8	Very low	38.9	Very low	53 Å²	53	142.5 Å²	142.5	55%	0.546	79%	0.793	S	S	.	*			trans	-80.4	133.7	162.8	0	0	0	0	0	111.3	Q255 H259	Q255-G257 PolarHBondContact O-N 3.31Å; Q255-G257 VanDerWaalsContact O-N 3.15Å; G257-H259 PolarHBondContact O-CD2 2.99Å
258	W	39	Very low	40	Very low	226 Å²	226	142.6 Å²	142.6	86%	0.856	80%	0.796	S	S	*	*			trans	-84.1	121.9	174.1	-72	92.9	0	0	0	110.6
259	H	42.9	Very low	40.8	Very low	169 Å²	169	143.9 Å²	143.9	78%	0.782	80%	0.799	S	S	*	*			trans	-107.2	137.3	175.7	-66.7	-96.6	0	0	0	110.7	G257	G257-H259 PolarHBondContact O-CD2 2.99Å
260	F	39.5	Very low	41.5	Very low	173 Å²	173	142.8 Å²	142.8	76%	0.759	80%	0.797	S	S	*	*			trans	-118.2	133.3	172.6	-65.6	-83	0	0	0	109.9
261	P	40.9	Very low	41.8	Very low	131 Å²	131	143.7 Å²	143.7	85%	0.851	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.3	128.9	175.5	29.5	-33	0	0	0	110.8
262	V	46.1	Very low	42.2	Very low	123 Å²	123	141 Å²	141	75%	0.745	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-92.5	146	173.3	-172.1	0	0	0	0	109.5
263	G	46.4	Very low	42.9	Very low	53 Å²	53	137.5 Å²	137.5	55%	0.546	79%	0.789	S	S	.	*	P	Polyproline II helix	trans	-61.9	159.6	177.6	0	0	0	0	0	113.8	G265	G263-G265 PolarHBondContact O-N 2.88Å
264	P	46.5	Very low	43.2	Very low	145 Å²	145	138.1 Å²	138.1	94%	0.942	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	120.9	-170.9	27.1	-35	0	0	0	112.2
265	G	56.1	Low	43.4	Very low	74 Å²	74	144.2 Å²	144.2	76%	0.763	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	153.1	-18.4	168.2	0	0	0	0	0	116.9	G263	G263-G265 PolarHBondContact O-N 2.88Å
266	L	43.9	Very low	43.6	Very low	158 Å²	158	140.7 Å²	140.7	83%	0.827	79%	0.785	S	S	*	*			trans	-128.2	111	-175.7	-67	174.4	0	0	0	111.8
267	A	52.1	Low	43.7	Very low	109 Å²	109	143.3 Å²	143.3	90%	0.901	79%	0.785	S	S	*	*			trans	-100.1	81.4	177.8	0	0	0	0	0	111
268	Q	49.5	Very low	44.1	Very low	178 Å²	178	146.1 Å²	146.1	83%	0.832	79%	0.794	S	S	*	*			trans	-153.8	119.2	165.5	-130.1	170.4	7.6	0	0	111.2
269	E	44.7	Very low	44.7	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	80%	0.798	S	S	*	*			trans	-78.4	133.7	173.4	-61.7	-179.4	144.2	0	0	109.6
270	V	41.9	Very low	45.1	Very low	133 Å²	133	136.2 Å²	136.2	81%	0.806	79%	0.789	S	S	*	*			trans	-116.2	106.1	177.8	-177.3	0	0	0	0	108.8	C272	V270-C272 PolarHBondContact O-N 2.76Å
271	F	40.4	Very low	45.5	Very low	195 Å²	195	132.2 Å²	132.2	86%	0.855	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-75.1	116.4	179.2	-164.5	-86.9	0	0	0	110.4
272	C	39.7	Very low	46.1	Very low	103 Å²	103	136.9 Å²	136.9	70%	0.696	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-91.8	123.2	176.7	-161.1	0	0	0	0	109.8	V270	V270-C272 PolarHBondContact O-N 2.76Å
273	P	44.1	Very low	46.3	Very low	101 Å²	101	140.5 Å²	140.5	66%	0.656	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.7	147.1	-178.3	28.5	-34.7	0	0	0	111.9	W275	P273-W275 PolarHBondContact O-N 3.35Å
274	Q	43	Very low	46.3	Very low	178 Å²	178	143.9 Å²	143.9	83%	0.832	80%	0.797	S	S	*	*			trans	-67.5	112.9	-173.4	-159.8	174.7	22	0	0	111.4	S276	Q274-S276 PolarHBondContact O-N 2.82Å
275	W	39.2	Very low	46.4	Very low	223 Å²	223	142.9 Å²	142.9	85%	0.845	79%	0.788	S	S	*	*			trans	-79.6	101.2	-175.3	-145.5	-48.5	0	0	0	110.8	P273 F277	P273-W275 PolarHBondContact O-N 3.35Å; W275-F277 PolarHBondContact O-N 2.84Å
276	S	43.1	Very low	46.2	Very low	104 Å²	104	145.3 Å²	145.3	73%	0.727	79%	0.788	S	S	*	*			trans	-72.6	112.3	175.3	58.7	0	0	0	0	110.8	Q274	Q274-S276 PolarHBondContact O-N 2.82Å
277	F	41.8	Very low	46.7	Very low	186 Å²	186	145.5 Å²	145.5	82%	0.816	79%	0.785	S	S	*	*			trans	-67	133.7	169.9	-75	-91.6	0	0	0	110.6	W275 A279	W275-F277 PolarHBondContact O-N 2.84Å; F277-A279 PolarHBondContact O-N 3.36Å
278	P	45.6	Very low	46.5	Very low	112 Å²	112	146.4 Å²	146.4	73%	0.727	78%	0.782	S	S	*	*			trans	-60	132.5	164.6	-20.8	33.1	0	0	0	110	A280	P278-A280 PolarHBondContact O-N 2.96Å
279	A	51.9	Low	46.6	Very low	115 Å²	115	143.1 Å²	143.1	95%	0.95	77%	0.774	S	S	*	*	S	Bend	trans	-76.7	55.9	-176.9	0	0	0	0	0	112.9	F277	F277-A279 PolarHBondContact O-N 3.36Å
280	A	50.5	Low	47.2	Very low	72 Å²	72	139.9 Å²	139.9	60%	0.595	77%	0.767	S	S	*	*			trans	-131	85.1	179	0	0	0	0	0	109.6	P278 Y282	P278-A280 PolarHBondContact O-N 2.96Å; A280-Y282 PolarHBondContact O-N 3.34Å
281	S	48.1	Very low	47.7	Very low	89 Å²	89	139.5 Å²	139.5	62%	0.622	77%	0.767	S	S	*	*			trans	-64.8	121.2	168.5	179.1	0	0	0	0	109.3	Y283	S281-Y283 WeakPolarHBondContact CB-O 3.43Å; S281-Y283 PolarHBondContact O-N 3.16Å; S281-Y283 PolarHBondContact OG-N 3.4Å; S281-Y283 VanDerWaalsContact OG-N 3.16Å; S281-Y283 PolarHBondContact OG-O 2.99Å
282	Y	54.1	Low	48.5	Very low	230 Å²	230	138.3 Å²	138.3	90%	0.902	76%	0.762	S	S	*	*	S	Bend	trans	-70.9	-15.1	169	-97.1	-91	0	0	0	112.7	A280	A280-Y282 PolarHBondContact O-N 3.34Å
283	Y	49.1	Very low	49.9	Very low	198 Å²	198	140 Å²	140	78%	0.776	76%	0.76	S	S	*	*	S	Bend	trans	-89	126.3	171	-60.5	-82.3	0	0	0	109.2	S281 T285	S281-Y283 WeakPolarHBondContact CB-O 3.43Å; S281-Y283 PolarHBondContact O-N 3.16Å; S281-Y283 PolarHBondContact OG-N 3.4Å; S281-Y283 VanDerWaalsContact OG-N 3.16Å; S281-Y283 PolarHBondContact OG-O 2.99Å; Y283-T285 PolarHBondContact O-N 3.38Å
284	T	46.8	Very low	51.4	Low	125 Å²	125	138.8 Å²	138.8	77%	0.767	75%	0.75	S	S	*	*			trans	-48.7	134.6	168.4	-46.9	0	0	0	0	109.5	V286	T284-V286 PolarHBondContact O-N 3.04Å
285	T	48.8	Very low	53	Low	123 Å²	123	134.5 Å²	134.5	76%	0.755	73%	0.731	S	S	*	*			trans	-58.1	108.9	167.9	42.6	0	0	0	0	108.5	Y283 E287	Y283-T285 PolarHBondContact O-N 3.38Å; T285-E287 PolarHBondContact O-N 3.46Å; T285-E287 VanDerWaalsContact O-N 3.08Å
286	V	52.8	Low	55.3	Low	125 Å²	125	128.4 Å²	128.4	76%	0.758	71%	0.708	S	S	*	*			trans	-63.2	111.6	173.9	179.2	0	0	0	0	106.7	T284	T284-V286 PolarHBondContact O-N 3.04Å
287	E	53	Low	57.7	Low	162 Å²	162	123.9 Å²	123.9	76%	0.757	68%	0.675	S	S	*	*			trans	-55.6	144.2	169.8	-64.8	-172.8	150.3	0	0	108.7	T285 T289	T285-E287 PolarHBondContact O-N 3.46Å; T285-E287 VanDerWaalsContact O-N 3.08Å; E287-T289 VanDerWaalsContact C-N 3.34Å; E287-T289 PolarHBondContact O-N 3.42Å
288	P	48.3	Very low	60.1	Low	129 Å²	129	119 Å²	119	84%	0.838	66%	0.66	S	S	*	*			trans	-63	96.2	-178.6	26.1	-34.1	0	0	0	109.7	V290	P288-V290 PolarHBondContact O-N 2.94Å
289	T	52.4	Low	62.4	Low	108 Å²	108	116.3 Å²	116.3	66%	0.663	64%	0.636	S	S	*	*			trans	-57	121.8	179.2	49.1	0	0	0	0	108.5	E287	E287-T289 VanDerWaalsContact C-N 3.34Å; E287-T289 PolarHBondContact O-N 3.42Å
290	V	57.2	Low	64.4	Low	127 Å²	127	114.1 Å²	114.1	77%	0.77	61%	0.606	S	S	*	*			trans	-48.4	130.9	174.5	-172.7	0	0	0	0	108.3	P288 F292	P288-V290 PolarHBondContact O-N 2.94Å; V290-F292 PolarHBondContact O-N 3.13Å
291	P	52.8	Low	66.3	Low	124 Å²	124	114.8 Å²	114.8	81%	0.805	60%	0.6	S	S	*	*			trans	-55	112.6	-179.7	-26.6	34.9	0	0	0	110.3
292	F	57.2	Low	67.9	Low	171 Å²	171	114.2 Å²	114.2	75%	0.75	59%	0.592	S	S	*	*			trans	-80.5	126.4	176.8	59	-90.1	0	0	0	108.8	V290 V294	V290-F292 PolarHBondContact O-N 3.13Å; F292-V294 HydrophobicContact CD2-CG2 4.17Å; F292-V294 HydrophobicContact CE2-CG2 3.95Å; F292-V294 PolarHBondContact O-N 3.31Å
293	E	69.1	Low	68.1	Low	139 Å²	139	106 Å²	106	65%	0.65	56%	0.564	S	S	*	*			trans	-69	119.8	176.7	-170.9	179.1	164.9	0	0	109.4	M295 K365	E293-M295 HydrophobicContact CG-SD 4.49Å; E293-M295 PolarHBondContact O-N 3.49Å; E293-K365 IonicContact OE1-NZ 3.53Å; E293-K365 PolarHBondContact OE1-NZ 3.38Å
294	V	73.6	Confident	67.9	Low	75 Å²	75	100.6 Å²	100.6	46%	0.455	56%	0.56	S	S	.	*			trans	-77.2	95.2	178.4	-174.9	0	0	0	0	109.1	F292 W296	F292-V294 HydrophobicContact CD2-CG2 4.17Å; F292-V294 HydrophobicContact CE2-CG2 3.95Å; F292-V294 PolarHBondContact O-N 3.31Å; V294-W296 HydrophobicContact CB-CZ2 4.43Å; V294-W296 HydrophobicContact CG1-CD2 3.93Å; V294-W296 HydrophobicContact CG1-CE3 4.37Å; V294-W296 HydrophobicContact CG1-CG 4.46Å; V294-W296 HydrophobicContact CG1-CH2 4.05Å; V294-W296 HydrophobicContact CG1-CZ2 3.58Å; V294-W296 HydrophobicContact CG1-CZ3 4.42Å; V294-W296 VanDerWaalsContact O-CD1 3.31Å; V294-W296 PolarHBondContact O-N 3.33Å; V294-W296 VanDerWaalsContact O-N 3.08Å
295	M	77.4	Confident	67.7	Low	87 Å²	87	103 Å²	103	43%	0.429	57%	0.568	S	S	.	*			trans	-76.8	89.1	175	-69.9	-66.6	-64.5	0	0	110.5	E293 R297 K365 W366	E293-M295 HydrophobicContact CG-SD 4.49Å; E293-M295 PolarHBondContact O-N 3.49Å; M295-R297 PolarHBondContact O-N 2.68Å; M295-K365 PolarHBondContact SD-NZ 2.86Å; M295-W366 HydrophobicContact CE-CH2 4.07Å
296	W	87.1	Confident	67.3	Low	95 Å²	95	101 Å²	101	36%	0.36	56%	0.559	S	S	.	*	S	Bend	trans	-61	-28.2	177.8	-64.2	104	0	0	0	114.1	V294 L707 L711 L715 I722 F723	V294-W296 HydrophobicContact CB-CZ2 4.43Å; V294-W296 HydrophobicContact CG1-CD2 3.93Å; V294-W296 HydrophobicContact CG1-CE3 4.37Å; V294-W296 HydrophobicContact CG1-CG 4.46Å; V294-W296 HydrophobicContact CG1-CH2 4.05Å; V294-W296 HydrophobicContact CG1-CZ2 3.58Å; V294-W296 HydrophobicContact CG1-CZ3 4.42Å; V294-W296 VanDerWaalsContact O-CD1 3.31Å; V294-W296 PolarHBondContact O-N 3.33Å; V294-W296 VanDerWaalsContact O-N 3.08Å; W296-L707 VanDerWaalsContact O-CD2 3.3Å; W296-L707 WeakPolarHBondContact O-CD2 3.39Å; W296-L711 HydrophobicContact CZ3-CD1 4.45Å; W296-L715 HydrophobicContact CD2-CD1 4.32Å; W296-L715 HydrophobicContact CD2-CD2 4.49Å; W296-L715 HydrophobicContact CE3-CD1 4.23Å; W296-L715 HydrophobicContact CE3-CD2 4.28Å; W296-L715 HydrophobicContact CH2-CD2 3.57Å; W296-L715 HydrophobicContact CZ2-CD2 3.78Å; W296-L715 HydrophobicContact CZ3-CD2 3.83Å; W296-I722 HydrophobicContact CZ2-CD1 4.22Å; W296-F723 HydrophobicContact CB-CZ 4.08Å
297	R	93.3	Very high	66.6	Low	9 Å²	9	103.6 Å²	103.6	3%	0.034	56%	0.563	C	S	.	*	S	Bend	trans	-127.6	138.2	-178.8	-61.1	179.3	65.8	-161.5	-0.4	109.3	M295 E362 L704 S705 L707 F723 S729	M295-R297 PolarHBondContact O-N 2.68Å; R297-E362 IonicContact NH1-OE1 3.59Å; R297-L704 HydrophobicContact CB-CD1 3.74Å; R297-L704 HydrophobicContact CB-CG 4.07Å; R297-L704 PolarHBondContact NH2-O 3.49Å; R297-L704 VanDerWaalsContact NH2-O 3.15Å; R297-S705 PolarHBondContact NE-O 2.71Å; R297-S705 PolarHBondContact NH2-O 2.91Å; R297-L707 HydrophobicContact CG-CD1 4.22Å; R297-L707 HydrophobicContact CG-CD2 4.06Å; R297-L707 HydrophobicContact CG-CG 4.21Å; R297-F723 HydrophobicContact CG-CZ 4.27Å; R297-S729 PolarHBondContact NH1-O 2.83Å; R297-S729 PolarHBondContact NH1-OG 2.89Å; R297-S729 PolarHBondContact NH2-O 2.99Å
298	V	92.3	Very high	66	Low	84 Å²	84	100.7 Å²	100.7	51%	0.509	56%	0.561	S	S	.	*			trans	-119.9	147.3	-169.9	-177.6	0	0	0	0	109.5	S705	V298-S705 PolarHBondContact N-OG 3.46Å; V298-S705 WeakPolarHBondContact O-CB 3.19Å; V298-S705 PolarHBondContact O-N 3.19Å; V298-S705 PolarHBondContact O-OG 3.3Å
299	W	94.9	Very high	65.7	Low	56 Å²	56	100.5 Å²	100.5	21%	0.212	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	121.8	174.3	-167.7	-89.7	0	0	0	110.6	D301 G702 L704 V731 R733	W299-D301 VanDerWaalsContact CD1-OD1 3.23Å; W299-D301 PolarHBondContact NE1-OD1 3.05Å; W299-G702 WeakPolarHBondContact CZ2-O 3.36Å; W299-L704 HydrophobicContact CE3-CB 4.16Å; W299-L704 HydrophobicContact CZ3-CB 4.14Å; W299-V731 HydrophobicContact CH2-CG1 4.4Å; W299-V731 HydrophobicContact CZ3-CB 4.39Å; W299-V731 HydrophobicContact CZ3-CG1 3.99Å; W299-R733 HydrophobicContact CH2-CB 3.82Å; W299-R733 HydrophobicContact CZ2-CB 3.46Å; W299-R733 VanDerWaalsContact CZ2-CB 3.46Å
300	E	92.8	Very high	65.3	Low	68 Å²	68	103 Å²	103	32%	0.318	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	114.4	176.9	-63.1	-174.1	-172.9	0	0	109.7	G702 S703 S705	E300-G702 CarbonylContact O-C 3.55Å; E300-G702 WeakPolarHBondContact O-CA 3.38Å; E300-S703 PolarHBondContact N-O 2.9Å; E300-S703 PolarHBondContact O-N 3.45Å; E300-S705 WeakPolarHBondContact OE1-CB 3.35Å
301	D	91.2	Very high	64.2	Low	87 Å²	87	103.1 Å²	103.1	47%	0.465	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.6	137.2	173.4	-68	-54.9	0	0	0	111.1	W299 V701 R733	W299-D301 VanDerWaalsContact CD1-OD1 3.23Å; W299-D301 PolarHBondContact NE1-OD1 3.05Å; D301-V701 WeakPolarHBondContact CA-O 3.38Å; D301-R733 IonicContact OD1-NH1 3.15Å; D301-R733 PolarHBondContact OD1-NH1 2.92Å
302	V	82	Confident	63.6	Low	76 Å²	76	102.3 Å²	102.3	46%	0.461	56%	0.561	S	S	.	*	S	Bend	trans	-77.7	-29.9	-168	174.3	0	0	0	0	113.6	L700 V701	V302-L700 HydrophobicContact CG2-CD2 3.96Å; V302-L700 HydrophobicContact CG2-CG 3.95Å; V302-V701 PolarHBondContact N-O 2.9Å
303	D	58.4	Low	62.8	Low	57 Å²	57	102.4 Å²	102.4	31%	0.305	57%	0.568	S	S	.	*	S	Bend	trans	-87.8	-15.8	-169.3	-65.4	-48.2	0	0	0	114.7	D305 S306 K699	D303-D305 VanDerWaalsContact C-N 3.32Å; D303-D305 PolarHBondContact O-N 2.87Å; D303-D305 VanDerWaalsContact O-N 3.11Å; D303-S306 PolarHBondContact O-N 3.45Å; D303-S306 PolarHBondContact O-OG 2.79Å; D303-K699 IonicContact OD1-NZ 3.19Å; D303-K699 WeakPolarHBondContact OD2-CE 3.33Å; D303-K699 IonicContact OD2-NZ 2.76Å; D303-K699 PolarHBondContact OD2-NZ 3.38Å
304	A	45.3	Very low	61.6	Low	86 Å²	86	100.9 Å²	100.9	71%	0.711	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-34.7	-160.5	0	0	0	0	0	115.6
305	D	40.8	Very low	60.3	Low	175 Å²	175	103.9 Å²	103.9	94%	0.936	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	0.2	-177.8	-83.5	-25.1	0	0	0	114.3	D303	D303-D305 VanDerWaalsContact C-N 3.32Å; D303-D305 PolarHBondContact O-N 2.87Å; D303-D305 VanDerWaalsContact O-N 3.11Å
306	S	41.5	Very low	58.9	Low	80 Å²	80	109.3 Å²	109.3	56%	0.559	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	-16.1	-165.4	72.9	0	0	0	0	117.1	D303 S308	D303-S306 PolarHBondContact O-N 3.45Å; D303-S306 PolarHBondContact O-OG 2.79Å; S306-S308 VanDerWaalsContact C-N 3.3Å; S306-S308 PolarHBondContact O-N 2.81Å
307	E	38.3	Very low	57.8	Low	180 Å²	180	107.6 Å²	107.6	84%	0.841	60%	0.602	S	S	*	*			trans	-78.7	74.2	177.5	-70.6	-138.2	141.1	0	0	113.1
308	S	40.7	Very low	57.3	Low	102 Å²	102	109.6 Å²	109.6	71%	0.713	62%	0.62	S	S	*	*			trans	-135.4	149.3	155.5	70.8	0	0	0	0	111.4	S306	S306-S308 VanDerWaalsContact C-N 3.3Å; S306-S308 PolarHBondContact O-N 2.81Å
309	V	41.3	Very low	57.1	Low	124 Å²	124	108.2 Å²	108.2	75%	0.752	61%	0.614	S	S	*	*	S	Bend	trans	80.7	91.3	179.8	-166.7	0	0	0	0	116.4
310	L	43.5	Very low	57	Low	161 Å²	161	106.5 Å²	106.5	84%	0.843	61%	0.609	S	S	*	*			trans	69.8	90.6	147.5	-58.5	172.7	0	0	0	118.9	P312	L310-P312 WeakPolarHBondContact O-CD 3.28Å
311	T	33.9	Very low	57.1	Low	130 Å²	130	106.5 Å²	106.5	80%	0.798	61%	0.611	S	S	*	*			trans	-69.7	122.9	163.6	53	0	0	0	0	112.8
312	P	41.6	Very low	57.4	Low	106 Å²	106	102.4 Å²	102.4	69%	0.688	59%	0.589	S	S	*	*			trans	-72.2	161.8	151.6	32.8	-32.2	0	0	0	110.1	L310 T314	L310-P312 WeakPolarHBondContact O-CD 3.28Å; P312-T314 PolarHBondContact O-N 2.86Å; P312-T314 PolarHBondContact O-OG1 2.99Å
313	I	40.8	Very low	58.2	Low	173 Å²	173	99.8 Å²	99.8	89%	0.887	57%	0.573	S	S	*	*			trans	-58.7	110.5	-179.7	-61.1	167	0	0	0	109.4
314	T	42.7	Very low	60.1	Low	108 Å²	108	97 Å²	97	66%	0.663	56%	0.559	S	S	*	*			trans	-95	119.3	178.2	-60	0	0	0	0	108.5	P312 K316	P312-T314 PolarHBondContact O-N 2.86Å; P312-T314 PolarHBondContact O-OG1 2.99Å; T314-K316 PolarHBondContact O-N 2.87Å
315	I	46.4	Very low	62.7	Low	138 Å²	138	93 Å²	93	71%	0.708	53%	0.525	S	S	*	.			trans	-65.5	127.6	168.4	-59.8	173.6	0	0	0	106.4	T317	I315-T317 VanDerWaalsContact C-N 3.3Å; I315-T317 PolarHBondContact O-N 2.86Å
316	K	48.3	Very low	65.4	Low	201 Å²	201	84.6 Å²	84.6	87%	0.874	48%	0.481	S	S	*	.			trans	-73.6	87	173.2	-72.3	-168.6	174.7	-168.7	0	109.3	T314	T314-K316 PolarHBondContact O-N 2.87Å
317	T	64.1	Low	68.2	Low	58 Å²	58	80.8 Å²	80.8	36%	0.356	45%	0.454	S	S	.	.			trans	-59.7	147.5	159.5	39.3	0	0	0	0	109.3	I315	I315-T317 VanDerWaalsContact C-N 3.3Å; I315-T317 PolarHBondContact O-N 2.86Å
318	A	82.9	Confident	71	Confident	51 Å²	51	72.2 Å²	72.2	42%	0.421	41%	0.414	S	S	.	.			trans	-72.3	145.9	173.2	0	0	0	0	0	110.3	L738	A318-L738 HydrophobicContact CB-CB 4.17Å; A318-L738 HydrophobicContact CB-CD1 4.14Å; A318-L738 PolarHBondContact O-N 2.82Å
319	S	88.5	Confident	73.8	Confident	56 Å²	56	67.5 Å²	67.5	39%	0.392	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.6	179.3	64.6	0	0	0	0	112.3	L736	S319-L736 CarbonylContact C-O 3.58Å; S319-L736 WeakPolarHBondContact CA-O 3.42Å; S319-L736 VanDerWaalsContact CB-O 3.32Å; S319-L736 WeakPolarHBondContact CB-O 3.46Å
320	L	91.7	Very high	76.5	Confident	20 Å²	20	61.7 Å²	61.7	11%	0.105	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.2	178.1	-173	74.3	0	0	0	109.5	P449 L736 L738	L320-P449 HydrophobicContact CD2-CB 3.66Å; L320-L736 PolarHBondContact N-O 2.85Å; L320-L736 PolarHBondContact O-N 2.79Å; L320-L738 HydrophobicContact CB-CD1 4.42Å; L320-L738 HydrophobicContact CB-CD2 4.07Å; L320-L738 HydrophobicContact CB-CG 4.4Å
321	D	95	Very high	79.2	Confident	68 Å²	68	54 Å²	54	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.5	177	-71.1	15	0	0	0	109.3	R417 F734 Q735	D321-R417 PolarHBondContact O-NH1 3Å; D321-R417 VanDerWaalsContact O-NH1 3.12Å; D321-R417 PolarHBondContact O-NH2 2.74Å; D321-F734 CarbonylContact C-O 3.48Å; D321-F734 WeakPolarHBondContact CA-O 3.42Å; D321-Q735 WeakPolarHBondContact OD1-CB 3.37Å; D321-Q735 VanDerWaalsContact OD1-CG 3.23Å; D321-Q735 WeakPolarHBondContact OD1-CG 3.48Å; D321-Q735 PolarHBondContact OD1-NE2 3.1Å
322	F	97.6	Very high	82.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	161.1	-176.6	74.2	-83.3	0	0	0	111.8	V324 D369 I370 F418 L464 L698 R733 F734 L736	F322-V324 HydrophobicContact CD2-CG2 4.05Å; F322-V324 HydrophobicContact CE2-CG2 3.64Å; F322-D369 WeakPolarHBondContact CA-OD2 3.43Å; F322-D369 HydrophobicContact CB-CB 4.29Å; F322-I370 HydrophobicContact CD2-CD1 3.92Å; F322-I370 HydrophobicContact CE2-CD1 3.9Å; F322-F418 HydrophobicContact CB-CE2 4.33Å; F322-F418 HydrophobicContact CB-CZ 4.01Å; F322-F418 HydrophobicContact CD1-CZ 4.45Å; F322-F418 HydrophobicContact CD2-CE2 4.49Å; F322-F418 AromaticContact CD2-CZ 4Å; F322-F418 HydrophobicContact CD2-CZ 4Å; F322-F418 AromaticContact CG-CZ 3.9Å; F322-F418 HydrophobicContact CG-CZ 3.9Å; F322-L464 HydrophobicContact CE1-CD2 4.44Å; F322-L464 HydrophobicContact CE2-CD2 3.67Å; F322-L464 HydrophobicContact CZ-CD1 4.41Å; F322-L464 HydrophobicContact CZ-CD2 3.62Å; F322-L698 HydrophobicContact CE1-CD2 3.85Å; F322-L698 HydrophobicContact CZ-CD1 4.25Å; F322-L698 HydrophobicContact CZ-CD2 4.02Å; F322-R733 CarbonylContact O-C 3.57Å; F322-R733 WeakPolarHBondContact O-CA 3.48Å; F322-F734 HydrophobicContact CD1-CB 4.23Å; F322-F734 HydrophobicContact CE1-CB 3.68Å; F322-F734 HydrophobicContact CE2-CB 4.32Å; F322-F734 HydrophobicContact CE2-CD2 4.04Å; F322-F734 HydrophobicContact CZ-CB 3.73Å; F322-F734 HydrophobicContact CZ-CD2 4.08Å; F322-F734 HydrophobicContact CZ-CG 4.24Å; F322-F734 PolarHBondContact N-O 2.79Å; F322-F734 PolarHBondContact O-N 2.79Å; F322-L736 HydrophobicContact CD1-CB 4.42Å; F322-L736 HydrophobicContact CE1-CB 4.09Å
323	T	98.6	Very high	85	Confident	21 Å²	21	46.1 Å²	46.1	13%	0.129	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.1	-175.7	51.4	0	0	0	0	111.6	P368 D369 I370 A732 R733	T323-P368 WeakPolarHBondContact OG1-CA 3.33Å; T323-D369 PolarHBondContact N-OD2 2.84Å; T323-D369 PolarHBondContact O-N 3.36Å; T323-D369 PolarHBondContact OG1-N 2.85Å; T323-D369 PolarHBondContact OG1-OD2 2.88Å; T323-I370 PolarHBondContact O-N 3.44Å; T323-A732 CarbonylContact C-O 3.56Å; T323-A732 VanDerWaalsContact CA-O 3.23Å; T323-A732 WeakPolarHBondContact CA-O 3.42Å; T323-R733 HydrophobicContact CG2-CB 4.01Å; T323-R733 HydrophobicContact CG2-CG 3.87Å
324	V	98.9	Very high	87.7	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.7	177.2	-178	0	0	0	0	108.4	F322 I370 V509 I675 V731 A732 F734	F322-V324 HydrophobicContact CD2-CG2 4.05Å; F322-V324 HydrophobicContact CE2-CG2 3.64Å; V324-I370 CarbonylContact C-O 3.57Å; V324-I370 VanDerWaalsContact CA-O 3.32Å; V324-I370 WeakPolarHBondContact CA-O 3.26Å; V324-I370 HydrophobicContact CG1-CG2 4.48Å; V324-I370 HydrophobicContact CG2-CB 4.31Å; V324-I370 HydrophobicContact CG2-CD1 4.49Å; V324-V509 HydrophobicContact CG1-CG1 3.98Å; V324-V509 HydrophobicContact CG2-CG1 4.24Å; V324-V509 HydrophobicContact CG2-CG2 4.48Å; V324-I675 HydrophobicContact CG1-CD1 4.25Å; V324-V731 CarbonylContact O-C 3.52Å; V324-V731 WeakPolarHBondContact O-CA 3.21Å; V324-A732 PolarHBondContact N-O 2.8Å; V324-A732 PolarHBondContact O-N 2.95Å; V324-F734 HydrophobicContact CB-CE2 4.15Å; V324-F734 HydrophobicContact CG2-CD2 3.85Å; V324-F734 HydrophobicContact CG2-CE2 3.78Å
325	M	98.9	Very high	90.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.2	165.4	178.1	-178.2	-73.1	0	0	110.3	Y327 I363 W366 P368 I370 L371 C372 L730 V731	M325-Y327 HydrophobicContact SD-CD1 4.4Å; M325-I363 HydrophobicContact SD-CG1 4.22Å; M325-W366 HydrophobicContact CE-CB 3.72Å; M325-W366 HydrophobicContact CE-CG 4.02Å; M325-P368 HydrophobicContact CB-CB 3.62Å; M325-P368 HydrophobicContact CB-CG 3.73Å; M325-P368 HydrophobicContact CE-CG 4.16Å; M325-P368 HydrophobicContact SD-CG 4.23Å; M325-I370 PolarHBondContact N-O 2.83Å; M325-L371 HydrophobicContact CB-CD1 3.69Å; M325-L371 HydrophobicContact CG-CD1 3.67Å; M325-L371 HydrophobicContact SD-CD1 3.43Å; M325-L371 WeakPolarHBondContact SD-CD1 3.27Å; M325-C372 PolarHBondContact O-N 2.64Å; M325-L730 CarbonylContact C-O 3.54Å; M325-L730 WeakPolarHBondContact CA-O 3.27Å; M325-V731 HydrophobicContact CB-CG2 4.28Å; M325-V731 HydrophobicContact CE-CG2 3.61Å; M325-V731 HydrophobicContact CG-CG2 4.1Å
326	S	98.9	Very high	92.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.1	164.4	-170	0	0	0	0	109	C372 Q374 G512 L730	S326-C372 CarbonylContact C-O 3.53Å; S326-C372 VanDerWaalsContact CA-O 3.26Å; S326-C372 WeakPolarHBondContact CA-O 3.38Å; S326-Q374 PolarHBondContact OG-NE2 3.3Å; S326-G512 PolarHBondContact OG-N 3.12Å; S326-L730 PolarHBondContact N-O 2.83Å; S326-L730 PolarHBondContact O-N 3.43Å
327	Y	98.9	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	116.4	-175.6	-163.3	-174.7	0	0	0	113.6	M325 I329 L359 C372 L373 Q374 S725 H727	M325-Y327 HydrophobicContact SD-CD1 4.4Å; Y327-I329 HydrophobicContact CD1-CG2 4.21Å; Y327-I329 HydrophobicContact CG-CG2 4.21Å; Y327-I329 PolarHBondContact O-N 2.75Å; Y327-L359 HydrophobicContact CD1-CD2 4.25Å; Y327-L359 HydrophobicContact CE1-CD2 3.54Å; Y327-C372 PolarHBondContact N-O 3Å; Y327-L373 WeakPolarHBondContact O-CA 3.41Å; Y327-Q374 PolarHBondContact O-N 2.93Å; Y327-Q374 PolarHBondContact O-OE1 3.06Å; Y327-S725 WeakPolarHBondContact OH-CB 3.47Å; Y327-H727 HydrophobicContact CE2-CB 4.37Å; Y327-H727 VanDerWaalsContact CE2-O 3.28Å; Y327-H727 WeakPolarHBondContact CE2-O 3.37Å; Y327-H727 PolarHBondContact OH-O 3.38Å
328	N	98.9	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	116.7	162.3	-175.6	-10	0	0	0	108.7	L330 Q374 E375 S725 H727	N328-L330 PolarHBondContact OD1-N 2.93Å; N328-L330 VanDerWaalsContact OD1-N 3.15Å; N328-Q374 HydrophobicContact CB-CB 4.02Å; N328-E375 PolarHBondContact ND2-OE1 2.9Å; N328-E375 WeakPolarHBondContact OD1-CB 3.26Å; N328-E375 VanDerWaalsContact OD1-CD 3.26Å; N328-E375 WeakPolarHBondContact OD1-CG 3.46Å; N328-S725 WeakPolarHBondContact O-CB 3.49Å; N328-S725 PolarHBondContact O-OG 3.11Å; N328-H727 HydrophobicContact CB-CB 4.02Å
329	I	98.8	Very high	97.2	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	17%	0.165	C	C	.	.			trans	-94.7	4.6	-172	69.3	165.3	0	0	0	114.2	Y327 W352 R355 L359 L373 Q374 V376 L385	Y327-I329 HydrophobicContact CD1-CG2 4.21Å; Y327-I329 HydrophobicContact CG-CG2 4.21Å; Y327-I329 PolarHBondContact O-N 2.75Å; I329-W352 HydrophobicContact CD1-CH2 4.31Å; I329-R355 PolarHBondContact O-NH1 2.61Å; I329-L359 HydrophobicContact CB-CD1 4.02Å; I329-L359 HydrophobicContact CB-CD2 3.98Å; I329-L359 HydrophobicContact CD1-CD1 4.46Å; I329-L359 HydrophobicContact CG2-CD2 3.94Å; I329-L373 HydrophobicContact CG2-CD2 3.88Å; I329-Q374 PolarHBondContact N-O 2.76Å; I329-V376 HydrophobicContact CD1-CG2 4.08Å; I329-V376 HydrophobicContact CG1-CG2 4.39Å; I329-L385 HydrophobicContact CD1-CD1 3.59Å
330	L	98.7	Very high	97.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.172	C	C	.	.			trans	56.7	104.6	-175.9	178.9	59.6	0	0	0	112.6	N328 L335 Y342 R355 E375 P719 D726	N328-L330 PolarHBondContact OD1-N 2.93Å; N328-L330 VanDerWaalsContact OD1-N 3.15Å; L330-L335 HydrophobicContact CD1-CB 4.07Å; L330-L335 HydrophobicContact CD2-CB 4.18Å; L330-L335 HydrophobicContact CD2-CD1 3.69Å; L330-L335 HydrophobicContact CD2-CG 3.9Å; L330-L335 HydrophobicContact CG-CB 4.03Å; L330-L335 HydrophobicContact CG-CD1 4.18Å; L330-L335 HydrophobicContact CG-CG 4.31Å; L330-Y342 WeakPolarHBondContact CD1-OH 3.24Å; L330-Y342 HydrophobicContact CD2-CE1 4.26Å; L330-R355 PolarHBondContact O-NH1 3.33Å; L330-R355 VanDerWaalsContact O-NH1 3.11Å; L330-R355 PolarHBondContact O-NH2 3.49Å; L330-E375 WeakPolarHBondContact CA-OE2 3.34Å; L330-P719 HydrophobicContact CD2-CG 3.78Å; L330-D726 WeakPolarHBondContact CB-OD1 3.41Å; L330-D726 HydrophobicContact CD2-CB 4.42Å
331	A	98.7	Very high	97.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	17%	0.173	C	C	.	.			trans	-65.2	139.5	177.8	0	0	0	0	0	110.1	D333 L334 L335 E375 Q377 D407	A331-D333 VanDerWaalsContact C-N 3.32Å; A331-D333 PolarHBondContact O-N 2.69Å; A331-L334 HydrophobicContact CB-CB 4.07Å; A331-L334 HydrophobicContact CB-CD1 4Å; A331-L334 HydrophobicContact CB-CG 3.88Å; A331-L334 PolarHBondContact O-N 2.79Å; A331-L334 VanDerWaalsContact O-N 3.14Å; A331-L335 WeakPolarHBondContact O-CB 3.11Å; A331-L335 PolarHBondContact O-N 2.82Å; A331-E375 HydrophobicContact CB-CB 3.99Å; A331-E375 WeakPolarHBondContact CB-O 3.22Å; A331-E375 PolarHBondContact N-OE2 3.4Å; A331-Q377 HydrophobicContact CB-CB 4.23Å; A331-D407 HydrophobicContact CB-CB 3.85Å
332	Q	98.7	Very high	98	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-40.7	-178.8	-167.7	66.1	19.7	0	0	111.2	L334 L335 E336 L350 W352	Q332-L334 PolarHBondContact O-N 2.84Å; Q332-L335 WeakPolarHBondContact O-CB 3.38Å; Q332-L335 PolarHBondContact O-N 3.04Å; Q332-E336 HydrophobicContact CG-CG 4.44Å; Q332-E336 VanDerWaalsContact CG-OE1 3.31Å; Q332-E336 WeakPolarHBondContact CG-OE1 3.49Å; Q332-E336 PolarHBondContact NE2-OE1 2.86Å; Q332-E336 WeakPolarHBondContact O-CB 3.43Å; Q332-E336 WeakPolarHBondContact O-CG 3.3Å; Q332-E336 PolarHBondContact O-N 2.89Å; Q332-L350 PolarHBondContact NE2-O 2.62Å; Q332-L350 PolarHBondContact OE1-O 3.35Å; Q332-W352 HydrophobicContact CB-CB 4.31Å; Q332-W352 HydrophobicContact CG-CB 3.99Å
333	D	98.4	Very high	97.9	Very high	60 Å²	60	35.8 Å²	35.8	32%	0.321	19%	0.191	S	C	.	.	H	α-helix	trans	-63.2	-31.4	176.4	-58.2	-10.4	0	0	0	112.3	A331 L337 Q377 T406	A331-D333 VanDerWaalsContact C-N 3.32Å; A331-D333 PolarHBondContact O-N 2.69Å; D333-L337 WeakPolarHBondContact O-CB 3.33Å; D333-L337 PolarHBondContact O-N 2.78Å; D333-L337 VanDerWaalsContact O-N 3.1Å; D333-Q377 VanDerWaalsContact CG-CD 3.42Å; D333-Q377 PolarHBondContact OD1-NE2 3.25Å; D333-Q377 PolarHBondContact OD1-OE1 2.98Å; D333-Q377 PolarHBondContact OD2-NE2 3.38Å; D333-T406 WeakPolarHBondContact OD2-CB 3.5Å; D333-T406 WeakPolarHBondContact OD2-CG2 3.48Å; D333-T406 PolarHBondContact OD2-OG1 3.15Å
334	L	98	Very high	97.8	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.131	20%	0.195	C	C	.	.	H	α-helix	trans	-80.7	-37.5	178.2	-62.9	-176.5	0	0	0	111.6	A331 Q332 N338 E375 D407	A331-L334 HydrophobicContact CB-CB 4.07Å; A331-L334 HydrophobicContact CB-CD1 4Å; A331-L334 HydrophobicContact CB-CG 3.88Å; A331-L334 PolarHBondContact O-N 2.79Å; A331-L334 VanDerWaalsContact O-N 3.14Å; Q332-L334 PolarHBondContact O-N 2.84Å; L334-N338 WeakPolarHBondContact O-CB 3.38Å; L334-N338 PolarHBondContact O-N 2.83Å; L334-N338 VanDerWaalsContact O-N 3.13Å; L334-N338 PolarHBondContact O-ND2 3.36Å; L334-E375 HydrophobicContact CD1-CG 4.16Å; L334-E375 WeakPolarHBondContact CD1-OE2 3.35Å; L334-D407 HydrophobicContact CD1-CB 4.26Å
335	L	98.3	Very high	97.7	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-52.2	169.4	-168.4	174.5	0	0	0	110.2	L330 A331 Q332 L337 N338 Q339 Y342 L350	L330-L335 HydrophobicContact CD1-CB 4.07Å; L330-L335 HydrophobicContact CD2-CB 4.18Å; L330-L335 HydrophobicContact CD2-CD1 3.69Å; L330-L335 HydrophobicContact CD2-CG 3.9Å; L330-L335 HydrophobicContact CG-CB 4.03Å; L330-L335 HydrophobicContact CG-CD1 4.18Å; L330-L335 HydrophobicContact CG-CG 4.31Å; A331-L335 WeakPolarHBondContact O-CB 3.11Å; A331-L335 PolarHBondContact O-N 2.82Å; Q332-L335 WeakPolarHBondContact O-CB 3.38Å; Q332-L335 PolarHBondContact O-N 3.04Å; L335-L337 VanDerWaalsContact C-N 3.33Å; L335-L337 PolarHBondContact O-N 2.88Å; L335-N338 CarbonylContact O-C 3.54Å; L335-N338 VanDerWaalsContact O-C 3.28Å; L335-N338 PolarHBondContact O-N 2.84Å; L335-Q339 PolarHBondContact O-N 2.84Å; L335-Y342 HydrophobicContact CB-CE2 4.39Å; L335-Y342 HydrophobicContact CD2-CD2 4Å; L335-Y342 HydrophobicContact CD2-CE2 4.44Å; L335-Y342 HydrophobicContact CG-CD2 3.99Å; L335-Y342 HydrophobicContact CG-CE2 4.02Å; L335-L350 HydrophobicContact CD1-CB 4.29Å; L335-L350 HydrophobicContact CD1-CD2 4.17Å; L335-L350 HydrophobicContact CD2-CB 4.15Å; L335-L350 HydrophobicContact CD2-CD1 4.34Å; L335-L350 HydrophobicContact CD2-CD2 4.24Å; L335-L350 HydrophobicContact CD2-CG 4.47Å
336	E	97.7	Very high	97.6	Very high	98 Å²	98	39.5 Å²	39.5	46%	0.458	21%	0.212	S	C	.	.	H	α-helix	trans	-70.2	-27.3	-176	-72.4	-179.9	-160.9	0	0	113.3	Q332 N338 Q339	Q332-E336 HydrophobicContact CG-CG 4.44Å; Q332-E336 VanDerWaalsContact CG-OE1 3.31Å; Q332-E336 WeakPolarHBondContact CG-OE1 3.49Å; Q332-E336 PolarHBondContact NE2-OE1 2.86Å; Q332-E336 WeakPolarHBondContact O-CB 3.43Å; Q332-E336 WeakPolarHBondContact O-CG 3.3Å; Q332-E336 PolarHBondContact O-N 2.89Å; E336-N338 VanDerWaalsContact C-N 3.35Å; E336-Q339 WeakPolarHBondContact O-CG 3.36Å; E336-Q339 PolarHBondContact O-NE2 2.97Å
337	L	97.1	Very high	97.4	Very high	121 Å²	121	46.1 Å²	46.1	63%	0.634	25%	0.247	S	C	*	.	H	α-helix	trans	-71.2	-28.5	169	-176.9	62.7	0	0	0	112.7	D333 L335	D333-L337 WeakPolarHBondContact O-CB 3.33Å; D333-L337 PolarHBondContact O-N 2.78Å; D333-L337 VanDerWaalsContact O-N 3.1Å; L335-L337 VanDerWaalsContact C-N 3.33Å; L335-L337 PolarHBondContact O-N 2.88Å
338	N	96.9	Very high	97.3	Very high	53 Å²	53	51.5 Å²	51.5	28%	0.283	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	31.2	-173	-60.3	-77.9	0	0	0	113.5	L334 L335 E336 H340 L341 Y342	L334-N338 WeakPolarHBondContact O-CB 3.38Å; L334-N338 PolarHBondContact O-N 2.83Å; L334-N338 VanDerWaalsContact O-N 3.13Å; L334-N338 PolarHBondContact O-ND2 3.36Å; L335-N338 CarbonylContact O-C 3.54Å; L335-N338 VanDerWaalsContact O-C 3.28Å; L335-N338 PolarHBondContact O-N 2.84Å; E336-N338 VanDerWaalsContact C-N 3.35Å; N338-H340 PolarHBondContact O-N 2.87Å; N338-L341 HydrophobicContact CB-CD1 3.83Å; N338-L341 HydrophobicContact CB-CG 4.13Å; N338-L341 WeakPolarHBondContact O-CB 3.33Å; N338-L341 PolarHBondContact O-N 3.23Å; N338-Y342 HydrophobicContact CB-CE2 4.4Å
339	Q	94.6	Very high	97.2	Very high	119 Å²	119	51.6 Å²	51.6	56%	0.556	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-48.5	-28.5	-176.8	-70.3	172.2	34.2	0	0	115.1	L335 E336 L341 Y342 A343	L335-Q339 PolarHBondContact O-N 2.84Å; E336-Q339 WeakPolarHBondContact O-CG 3.36Å; E336-Q339 PolarHBondContact O-NE2 2.97Å; Q339-L341 PolarHBondContact O-N 3.29Å; Q339-Y342 CarbonylContact O-C 3.59Å; Q339-Y342 PolarHBondContact O-N 3.08Å; Q339-Y342 VanDerWaalsContact O-N 3.07Å; Q339-A343 PolarHBondContact O-N 2.9Å
340	H	96.3	Very high	97.1	Very high	119 Å²	119	52 Å²	52	55%	0.551	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-59.5	-31.7	175.8	65.2	-85.4	0	0	0	113.3	N338 Y342	N338-H340 PolarHBondContact O-N 2.87Å; H340-Y342 PolarHBondContact O-N 3.36Å
341	L	96.8	Very high	97.1	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.11	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-69.4	-16.6	176.3	-59.6	-176.5	0	0	0	113.4	N338 Q339 H344 H665 S666 E667	N338-L341 HydrophobicContact CB-CD1 3.83Å; N338-L341 HydrophobicContact CB-CG 4.13Å; N338-L341 WeakPolarHBondContact O-CB 3.33Å; N338-L341 PolarHBondContact O-N 3.23Å; Q339-L341 PolarHBondContact O-N 3.29Å; L341-H344 PolarHBondContact O-CE1 3.12Å; L341-H665 HydrophobicContact CB-CB 4.26Å; L341-S666 WeakPolarHBondContact CA-OG 3.35Å; L341-S666 VanDerWaalsContact O-CB 3.32Å; L341-S666 WeakPolarHBondContact O-CB 3.48Å; L341-S666 PolarHBondContact O-N 3.35Å; L341-S666 PolarHBondContact O-OG 2.69Å; L341-E667 HydrophobicContact CD2-CG 3.96Å
342	Y	97.7	Very high	97.1	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.039	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-119.6	16.7	-172.8	-47.9	-65	0	0	0	112.5	L330 L335 N338 Q339 H340 H344 C345 L350 H665 D726	L330-Y342 WeakPolarHBondContact CD1-OH 3.24Å; L330-Y342 HydrophobicContact CD2-CE1 4.26Å; L335-Y342 HydrophobicContact CB-CE2 4.39Å; L335-Y342 HydrophobicContact CD2-CD2 4Å; L335-Y342 HydrophobicContact CD2-CE2 4.44Å; L335-Y342 HydrophobicContact CG-CD2 3.99Å; L335-Y342 HydrophobicContact CG-CE2 4.02Å; N338-Y342 HydrophobicContact CB-CE2 4.4Å; Q339-Y342 CarbonylContact O-C 3.59Å; Q339-Y342 PolarHBondContact O-N 3.08Å; Q339-Y342 VanDerWaalsContact O-N 3.07Å; H340-Y342 PolarHBondContact O-N 3.36Å; Y342-H344 PolarHBondContact O-N 3.37Å; Y342-C345 VanDerWaalsContact O-CB 3.26Å; Y342-C345 WeakPolarHBondContact O-CB 3.43Å; Y342-C345 PolarHBondContact O-N 2.98Å; Y342-L350 HydrophobicContact CG-CD2 4.38Å; Y342-H665 HydrophobicContact CE1-CB 4.28Å; Y342-D726 HydrophobicContact CE1-CB 3.81Å; Y342-D726 WeakPolarHBondContact CE1-OD2 3.49Å; Y342-D726 VanDerWaalsContact CZ-OD2 3.3Å; Y342-D726 PolarHBondContact OH-OD2 3.18Å
343	A	95.8	Very high	97	Very high	87 Å²	87	61 Å²	61	72%	0.719	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.3	-177	0	0	0	0	0	114.5	Q339	Q339-A343 PolarHBondContact O-N 2.9Å
344	H	96.4	Very high	97	Very high	43 Å²	43	61.7 Å²	61.7	20%	0.199	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-16	170.1	55.2	-81.5	0	0	0	113.8	L341 Y342 W713 N716 L718	L341-H344 PolarHBondContact O-CE1 3.12Å; Y342-H344 PolarHBondContact O-N 3.37Å; H344-W713 HydrophobicContact CB-CZ3 4.35Å; H344-W713 AromaticContact CD2-CZ3 3.97Å; H344-W713 AromaticContact CG-CZ3 3.95Å; H344-N716 PolarHBondContact CD2-O 3.41Å; H344-N716 PolarHBondContact O-ND2 3.2Å; H344-L718 PolarHBondContact NE2-O 2.99Å
345	C	97.1	Very high	97.1	Very high	12 Å²	12	60.5 Å²	60.5	8%	0.081	32%	0.317	C	S	.	.	S	Bend	trans	-86.7	142.3	-172.4	-60	0	0	0	0	112.8	Y342 L347 V349 L350 L718 P719	Y342-C345 VanDerWaalsContact O-CB 3.26Å; Y342-C345 WeakPolarHBondContact O-CB 3.43Å; Y342-C345 PolarHBondContact O-N 2.98Å; C345-L347 PolarHBondContact O-N 3.39Å; C345-V349 HydrophobicContact CB-CG2 4.13Å; C345-L350 HydrophobicContact CB-CD1 4.08Å; C345-L350 HydrophobicContact CB-CD2 3.7Å; C345-L350 HydrophobicContact CB-CG 3.93Å; C345-L718 PolarHBondContact SG-O 3.08Å; C345-P719 PolarHBondContact SG-O 3.26Å
346	P	96.1	Very high	97.1	Very high	44 Å²	44	60.7 Å²	60.7	29%	0.286	32%	0.319	S	S	.	.			trans	-57.4	134.4	164.5	-24.3	33.8	0	0	0	112.1	E348 V349	P346-E348 HydrophobicContact CB-CG 4.11Å; P346-E348 PolarHBondContact O-N 2.99Å; P346-V349 HydrophobicContact CB-CG1 4.46Å; P346-V349 HydrophobicContact CB-CG2 4.29Å; P346-V349 HydrophobicContact CG-CG2 4.46Å; P346-V349 WeakPolarHBondContact O-CG2 3.38Å; P346-V349 PolarHBondContact O-N 3.14Å
347	L	95.4	Very high	97.1	Very high	139 Å²	139	60.8 Å²	60.8	73%	0.728	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.5	-177.2	-64.3	177.8	0	0	0	114.1	C345 Q351	C345-L347 PolarHBondContact O-N 3.39Å; L347-Q351 PolarHBondContact O-NE2 2.91Å; L347-Q351 VanDerWaalsContact O-NE2 3.13Å
348	E	96.3	Very high	97.1	Very high	114 Å²	114	56.7 Å²	56.7	53%	0.533	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-38.4	176.4	66.8	-170.2	155.4	0	0	113	P346 L350 Q351 Y354 H721	P346-E348 HydrophobicContact CB-CG 4.11Å; P346-E348 PolarHBondContact O-N 2.99Å; E348-L350 PolarHBondContact O-N 2.89Å; E348-Q351 PolarHBondContact O-N 3.48Å; E348-Y354 VanDerWaalsContact O-CB 3.29Å; E348-Y354 WeakPolarHBondContact O-CB 3.23Å; E348-H721 IonicContact OE1-CE1 2.88Å; E348-H721 PolarHBondContact OE1-CE1 2.93Å
349	V	97	Very high	97.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.3	179.4	-53.9	0	0	0	0	112.6	C345 P346 Y354 R355 H721	C345-V349 HydrophobicContact CB-CG2 4.13Å; P346-V349 HydrophobicContact CB-CG1 4.46Å; P346-V349 HydrophobicContact CB-CG2 4.29Å; P346-V349 HydrophobicContact CG-CG2 4.46Å; P346-V349 WeakPolarHBondContact O-CG2 3.38Å; P346-V349 PolarHBondContact O-N 3.14Å; V349-Y354 HydrophobicContact CB-CD1 4.22Å; V349-Y354 HydrophobicContact CB-CE1 4.09Å; V349-Y354 HydrophobicContact CG1-CD1 4.3Å; V349-Y354 HydrophobicContact CG1-CE1 3.76Å; V349-R355 WeakPolarHBondContact O-CD 3.37Å; V349-R355 WeakPolarHBondContact O-CG 3.23Å; V349-H721 VanDerWaalsContact CG1-CE1 3.49Å; V349-H721 WeakPolarHBondContact CG1-CE1 3.48Å; V349-H721 WeakPolarHBondContact CG1-ND1 3.39Å
350	L	97.8	Very high	97.4	Very high	13 Å²	13	49.6 Å²	49.6	7%	0.068	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.4	174.9	-60.2	-177.3	0	0	0	113.3	Q332 L335 Y342 C345 E348 P719	Q332-L350 PolarHBondContact NE2-O 2.62Å; Q332-L350 PolarHBondContact OE1-O 3.35Å; L335-L350 HydrophobicContact CD1-CB 4.29Å; L335-L350 HydrophobicContact CD1-CD2 4.17Å; L335-L350 HydrophobicContact CD2-CB 4.15Å; L335-L350 HydrophobicContact CD2-CD1 4.34Å; L335-L350 HydrophobicContact CD2-CD2 4.24Å; L335-L350 HydrophobicContact CD2-CG 4.47Å; Y342-L350 HydrophobicContact CG-CD2 4.38Å; C345-L350 HydrophobicContact CB-CD1 4.08Å; C345-L350 HydrophobicContact CB-CD2 3.7Å; C345-L350 HydrophobicContact CB-CG 3.93Å; E348-L350 PolarHBondContact O-N 2.89Å; L350-P719 HydrophobicContact CD2-CG 4.07Å
351	Q	98.1	Very high	97.5	Very high	95 Å²	95	49.9 Å²	49.9	44%	0.444	27%	0.266	S	S	.	.	S	Bend	trans	-72.7	130.9	-179.6	-59.9	-55.5	-64.9	0	0	111.3	L347 E348 S353 Y354 R355	L347-Q351 PolarHBondContact O-NE2 2.91Å; L347-Q351 VanDerWaalsContact O-NE2 3.13Å; E348-Q351 PolarHBondContact O-N 3.48Å; Q351-S353 PolarHBondContact O-N 3Å; Q351-S353 VanDerWaalsContact O-N 3.15Å; Q351-Y354 WeakPolarHBondContact O-CB 3.34Å; Q351-Y354 PolarHBondContact O-N 3.44Å; Q351-R355 WeakPolarHBondContact O-CG 3.32Å; Q351-R355 PolarHBondContact O-N 3.28Å
352	W	98.4	Very high	97.5	Very high	23 Å²	23	49.8 Å²	49.8	9%	0.087	27%	0.265	C	S	.	.	H	α-helix	trans	-51.6	-41.5	177.8	172.8	-109.6	0	0	0	112.9	I329 Q332 Y354 R355 C356 L359 H380 H384 L385	I329-W352 HydrophobicContact CD1-CH2 4.31Å; Q332-W352 HydrophobicContact CB-CB 4.31Å; Q332-W352 HydrophobicContact CG-CB 3.99Å; W352-Y354 VanDerWaalsContact C-N 3.29Å; W352-Y354 PolarHBondContact O-N 2.94Å; W352-R355 PolarHBondContact O-N 2.67Å; W352-C356 HydrophobicContact CD2-CB 4.09Å; W352-C356 HydrophobicContact CH2-CB 4.1Å; W352-C356 HydrophobicContact CZ2-CB 3.58Å; W352-C356 WeakPolarHBondContact CZ2-SG 3.2Å; W352-C356 WeakPolarHBondContact O-CB 3.41Å; W352-C356 PolarHBondContact O-N 3.36Å; W352-L359 HydrophobicContact CH2-CD1 4.04Å; W352-L359 HydrophobicContact CZ3-CD1 3.89Å; W352-H380 AromaticContact CD1-CD2 3.51Å; W352-H380 AromaticContact CD1-CE1 3.84Å; W352-H380 AromaticContact CD1-CG 3.89Å; W352-H380 AromaticContact CD1-NE2 3.5Å; W352-H380 HydrophobicContact CD2-CB 4.4Å; W352-H380 AromaticContact CD2-CE1 3.97Å; W352-H380 AromaticContact CD2-CG 3.85Å; W352-H380 AromaticContact CD2-ND1 3.65Å; W352-H380 AromaticContact CE2-CD2 3.88Å; W352-H380 AromaticContact CE2-CG 3.5Å; W352-H380 AromaticContact CE2-ND1 3.82Å; W352-H380 AromaticContact CG-CE1 3.69Å; W352-H380 AromaticContact CG-ND1 3.87Å; W352-H380 AromaticContact CG-NE2 3.82Å; W352-H380 HydrophobicContact CH2-CB 4.18Å; W352-H380 HydrophobicContact CZ2-CB 3.59Å; W352-H380 AromaticContact CZ2-CG 3.95Å; W352-H380 AromaticContact NE1-CD2 3.38Å; W352-H380 PolarHBondContact NE1-CD2 3.25Å; W352-H380 AromaticContact NE1-CG 3.51Å; W352-H380 AromaticContact NE1-NE2 3.88Å; W352-H384 HydrophobicContact CZ2-CB 4.43Å; W352-H384 AromaticContact NE1-CE1 3.94Å; W352-H384 AromaticContact NE1-CG 3.83Å; W352-H384 AromaticContact NE1-ND1 3.49Å; W352-H384 PolarHBondContact NE1-ND1 2.9Å; W352-L385 HydrophobicContact CH2-CD1 4.3Å; W352-L385 HydrophobicContact CH2-CD2 4.25Å; W352-L385 HydrophobicContact CH2-CG 4.41Å; W352-L385 HydrophobicContact CZ2-CD2 4.36Å; W352-L385 HydrophobicContact CZ2-CG 4.38Å
353	S	97.7	Very high	97.5	Very high	82 Å²	82	49.5 Å²	49.5	57%	0.573	26%	0.264	S	S	*	.	H	α-helix	trans	-63.1	-32.3	178.7	56	0	0	0	0	113.3	Q351 N357	Q351-S353 PolarHBondContact O-N 3Å; Q351-S353 VanDerWaalsContact O-N 3.15Å; S353-N357 PolarHBondContact O-ND2 3.06Å
354	Y	98.1	Very high	97.6	Very high	73 Å²	73	50.7 Å²	50.7	29%	0.286	26%	0.255	S	S	.	.	H	α-helix	trans	-74.8	-50.4	173	-172.1	-83.9	0	0	0	110.6	E348 V349 Q351 W352 C356 N357 L358 H721	E348-Y354 VanDerWaalsContact O-CB 3.29Å; E348-Y354 WeakPolarHBondContact O-CB 3.23Å; V349-Y354 HydrophobicContact CB-CD1 4.22Å; V349-Y354 HydrophobicContact CB-CE1 4.09Å; V349-Y354 HydrophobicContact CG1-CD1 4.3Å; V349-Y354 HydrophobicContact CG1-CE1 3.76Å; Q351-Y354 WeakPolarHBondContact O-CB 3.34Å; Q351-Y354 PolarHBondContact O-N 3.44Å; W352-Y354 VanDerWaalsContact C-N 3.29Å; W352-Y354 PolarHBondContact O-N 2.94Å; Y354-C356 PolarHBondContact O-N 3.17Å; Y354-N357 PolarHBondContact O-N 3.06Å; Y354-L358 HydrophobicContact CD1-CD1 4.03Å; Y354-L358 HydrophobicContact CE1-CD1 3.43Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.43Å; Y354-L358 HydrophobicContact CE1-CG 4.29Å; Y354-L358 PolarHBondContact O-N 3.25Å; Y354-H721 AromaticContact CZ-ND1 3.92Å; Y354-H721 PolarHBondContact OH-ND1 3.37Å; Y354-H721 VanDerWaalsContact OH-ND1 3.1Å
355	R	98.6	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-46.2	-177.8	-62	-170.7	-45.4	105	-8.9	112.2	I329 L330 V349 Q351 W352 N357 L358 L359 P724	I329-R355 PolarHBondContact O-NH1 2.61Å; L330-R355 PolarHBondContact O-NH1 3.33Å; L330-R355 VanDerWaalsContact O-NH1 3.11Å; L330-R355 PolarHBondContact O-NH2 3.49Å; V349-R355 WeakPolarHBondContact O-CD 3.37Å; V349-R355 WeakPolarHBondContact O-CG 3.23Å; Q351-R355 WeakPolarHBondContact O-CG 3.32Å; Q351-R355 PolarHBondContact O-N 3.28Å; W352-R355 PolarHBondContact O-N 2.67Å; R355-N357 VanDerWaalsContact C-N 3.33Å; R355-N357 PolarHBondContact O-N 2.94Å; R355-L358 PolarHBondContact O-N 3.33Å; R355-L359 WeakPolarHBondContact O-CG 3.48Å; R355-L359 PolarHBondContact O-N 2.97Å; R355-P724 HydrophobicContact CB-CB 4.01Å; R355-P724 VanDerWaalsContact CD-O 3.29Å; R355-P724 WeakPolarHBondContact CD-O 3.46Å; R355-P724 HydrophobicContact CG-CB 4.38Å; R355-P724 PolarHBondContact NH1-O 3.39Å; R355-P724 WeakPolarHBondContact O-CB 3.36Å
356	C	98.4	Very high	97.5	Very high	8 Å²	8	55.7 Å²	55.7	5%	0.054	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-42.5	178.3	-171.6	0	0	0	0	112.6	W352 Y354 L358 L359 L360	W352-C356 HydrophobicContact CD2-CB 4.09Å; W352-C356 HydrophobicContact CH2-CB 4.1Å; W352-C356 HydrophobicContact CZ2-CB 3.58Å; W352-C356 WeakPolarHBondContact CZ2-SG 3.2Å; W352-C356 WeakPolarHBondContact O-CB 3.41Å; W352-C356 PolarHBondContact O-N 3.36Å; Y354-C356 PolarHBondContact O-N 3.17Å; C356-L358 VanDerWaalsContact C-N 3.25Å; C356-L358 PolarHBondContact O-N 3.21Å; C356-L359 PolarHBondContact O-N 3.35Å; C356-L360 WeakPolarHBondContact O-CB 3.37Å; C356-L360 WeakPolarHBondContact O-CG 3.37Å; C356-L360 PolarHBondContact O-N 3.35Å
357	N	98.1	Very high	97.6	Very high	100 Å²	100	56.4 Å²	56.4	54%	0.535	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-27.4	177.3	-86.9	-55.5	0	0	0	113.3	S353 Y354 R355 K361	S353-N357 PolarHBondContact O-ND2 3.06Å; Y354-N357 PolarHBondContact O-N 3.06Å; R355-N357 VanDerWaalsContact C-N 3.33Å; R355-N357 PolarHBondContact O-N 2.94Å; N357-K361 VanDerWaalsContact O-CD 3.24Å; N357-K361 WeakPolarHBondContact O-CD 3.37Å; N357-K361 WeakPolarHBondContact O-CG 3.34Å
358	L	98.2	Very high	97.7	Very high	34 Å²	34	49.8 Å²	49.8	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-85.3	-42.4	173.1	-70	-178.4	0	0	0	111.8	Y354 R355 C356 L360 K361 E362 H721 P724	Y354-L358 HydrophobicContact CD1-CD1 4.03Å; Y354-L358 HydrophobicContact CE1-CD1 3.43Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.43Å; Y354-L358 HydrophobicContact CE1-CG 4.29Å; Y354-L358 PolarHBondContact O-N 3.25Å; R355-L358 PolarHBondContact O-N 3.33Å; C356-L358 VanDerWaalsContact C-N 3.25Å; C356-L358 PolarHBondContact O-N 3.21Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 2.79Å; L358-K361 CarbonylContact O-C 3.55Å; L358-K361 WeakPolarHBondContact O-CA 3.42Å; L358-K361 WeakPolarHBondContact O-CB 3.4Å; L358-K361 PolarHBondContact O-N 3.3Å; L358-E362 PolarHBondContact O-N 3.15Å; L358-H721 WeakPolarHBondContact CD1-O 3.46Å; L358-P724 HydrophobicContact CB-CB 3.64Å; L358-P724 HydrophobicContact CB-CG 3.74Å; L358-P724 HydrophobicContact CD1-CB 4.2Å
359	L	98.6	Very high	97.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-54.7	-47.7	176	-74.9	168.1	0	0	0	111.3	Y327 I329 W352 R355 C356 K361 E362 I363 P724	Y327-L359 HydrophobicContact CD1-CD2 4.25Å; Y327-L359 HydrophobicContact CE1-CD2 3.54Å; I329-L359 HydrophobicContact CB-CD1 4.02Å; I329-L359 HydrophobicContact CB-CD2 3.98Å; I329-L359 HydrophobicContact CD1-CD1 4.46Å; I329-L359 HydrophobicContact CG2-CD2 3.94Å; W352-L359 HydrophobicContact CH2-CD1 4.04Å; W352-L359 HydrophobicContact CZ3-CD1 3.89Å; R355-L359 WeakPolarHBondContact O-CG 3.48Å; R355-L359 PolarHBondContact O-N 2.97Å; C356-L359 PolarHBondContact O-N 3.35Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 2.83Å; L359-E362 PolarHBondContact O-N 3.32Å; L359-I363 WeakPolarHBondContact O-CD1 3.29Å; L359-I363 VanDerWaalsContact O-CG1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.23Å; L359-I363 PolarHBondContact O-N 2.79Å; L359-P724 HydrophobicContact CB-CG 4.39Å; L359-P724 HydrophobicContact CD2-CB 4.43Å; L359-P724 HydrophobicContact CD2-CG 3.62Å; L359-P724 HydrophobicContact CG-CB 4.07Å; L359-P724 HydrophobicContact CG-CG 3.62Å
360	L	98.4	Very high	97.9	Very high	22 Å²	22	45.2 Å²	45.2	12%	0.115	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-26.8	178.7	-69.9	174	0	0	0	113.2	C356 L358 E364 L385 V388 R392	C356-L360 WeakPolarHBondContact O-CB 3.37Å; C356-L360 WeakPolarHBondContact O-CG 3.37Å; C356-L360 PolarHBondContact O-N 3.35Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 2.79Å; L360-E364 VanDerWaalsContact O-CB 3.3Å; L360-E364 WeakPolarHBondContact O-CB 3.05Å; L360-E364 PolarHBondContact O-N 2.57Å; L360-E364 VanDerWaalsContact O-N 3.16Å; L360-L385 HydrophobicContact CD2-CD2 4.04Å; L360-L385 HydrophobicContact CG-CD2 4.42Å; L360-V388 HydrophobicContact CD1-CB 4.42Å; L360-V388 HydrophobicContact CD1-CG1 4.36Å; L360-V388 HydrophobicContact CD1-CG2 4.17Å; L360-V388 HydrophobicContact CD2-CB 4.14Å; L360-V388 HydrophobicContact CD2-CG1 3.97Å; L360-R392 PolarHBondContact O-NH1 3.25Å
361	K	97.6	Very high	98	Very high	125 Å²	125	44.6 Å²	44.6	54%	0.543	22%	0.224	S	C	.	.	H	α-helix	trans	-78.2	-35.5	172.7	-74.8	171.9	-173.3	173.7	0	112.5	N357 L358 L359 E364 K365	N357-K361 VanDerWaalsContact O-CD 3.24Å; N357-K361 WeakPolarHBondContact O-CD 3.37Å; N357-K361 WeakPolarHBondContact O-CG 3.34Å; L358-K361 CarbonylContact O-C 3.55Å; L358-K361 WeakPolarHBondContact O-CA 3.42Å; L358-K361 WeakPolarHBondContact O-CB 3.4Å; L358-K361 PolarHBondContact O-N 3.3Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 2.83Å; K361-E364 WeakPolarHBondContact O-CB 3.37Å; K361-E364 PolarHBondContact O-N 2.86Å; K361-K365 WeakPolarHBondContact O-CB 3.32Å; K361-K365 PolarHBondContact O-N 3.28Å
362	E	97.7	Very high	98	Very high	19 Å²	19	40 Å²	40	9%	0.089	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-42.5	176.2	-173.9	167.2	-179.4	0	0	110.9	R297 L358 L359 E364 K365 W366 S729	R297-E362 IonicContact NH1-OE1 3.59Å; L358-E362 PolarHBondContact O-N 3.15Å; L359-E362 PolarHBondContact O-N 3.32Å; E362-E364 VanDerWaalsContact C-N 3.27Å; E362-E364 PolarHBondContact O-N 3.26Å; E362-K365 PolarHBondContact O-N 3.1Å; E362-W366 PolarHBondContact O-N 3.32Å; E362-W366 VanDerWaalsContact O-N 3.13Å; E362-S729 WeakPolarHBondContact OE1-CB 3.29Å; E362-S729 PolarHBondContact OE1-OG 3.38Å
363	I	98.1	Very high	98.1	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-36.6	171.6	-65.2	162.8	0	0	0	111.1	M325 L359 A367 P368 L371 L389	M325-I363 HydrophobicContact SD-CG1 4.22Å; L359-I363 WeakPolarHBondContact O-CD1 3.29Å; L359-I363 VanDerWaalsContact O-CG1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.23Å; L359-I363 PolarHBondContact O-N 2.79Å; I363-A367 WeakPolarHBondContact O-CA 3.12Å; I363-A367 PolarHBondContact O-N 3.43Å; I363-P368 WeakPolarHBondContact O-CD 3.03Å; I363-L371 HydrophobicContact CD1-CD2 4.03Å; I363-L371 HydrophobicContact CG1-CD1 4.48Å; I363-L371 HydrophobicContact CG1-CD2 4.29Å; I363-L371 HydrophobicContact CG2-CD2 4.03Å; I363-L389 HydrophobicContact CG2-CD2 4.06Å
364	E	97.1	Very high	98.1	Very high	112 Å²	112	35.1 Å²	35.1	52%	0.523	17%	0.172	S	C	.	.	H	α-helix	trans	-68.2	-44.2	174.7	-174.2	161.2	-134.2	0	0	113	L360 K361 E362 W366 A367 R392	L360-E364 VanDerWaalsContact O-CB 3.3Å; L360-E364 WeakPolarHBondContact O-CB 3.05Å; L360-E364 PolarHBondContact O-N 2.57Å; L360-E364 VanDerWaalsContact O-N 3.16Å; K361-E364 WeakPolarHBondContact O-CB 3.37Å; K361-E364 PolarHBondContact O-N 2.86Å; E362-E364 VanDerWaalsContact C-N 3.27Å; E362-E364 PolarHBondContact O-N 3.26Å; E364-W366 VanDerWaalsContact C-N 3.32Å; E364-W366 PolarHBondContact O-N 3.05Å; E364-A367 PolarHBondContact O-N 3.01Å; E364-R392 IonicContact OE1-CZ 3.92Å; E364-R392 IonicContact OE1-NE 3.08Å; E364-R392 IonicContact OE1-NH2 3.83Å; E364-R392 PolarHBondContact OE1-NH2 3.42Å; E364-R392 IonicContact OE2-CZ 3.49Å; E364-R392 IonicContact OE2-NH2 3.45Å; E364-R392 PolarHBondContact OE2-NH2 2.76Å
365	K	95.8	Very high	98.1	Very high	103 Å²	103	32.7 Å²	32.7	45%	0.448	16%	0.163	S	C	.	.	H	α-helix	trans	-64.3	-35.3	-178.5	-179.4	166.8	178.9	170.5	0	112.7	E293 M295 K361 E362	E293-K365 IonicContact OE1-NZ 3.53Å; E293-K365 PolarHBondContact OE1-NZ 3.38Å; M295-K365 PolarHBondContact SD-NZ 2.86Å; K361-K365 WeakPolarHBondContact O-CB 3.32Å; K361-K365 PolarHBondContact O-N 3.28Å; E362-K365 PolarHBondContact O-N 3.1Å
366	W	96.3	Very high	98.2	Very high	57 Å²	57	32.7 Å²	32.7	22%	0.216	16%	0.163	C	C	.	.	H	α-helix	trans	-96.9	-16.4	179.5	-58.7	121.2	0	0	0	114.3	M295 M325 E362 E364 L704 V731	M295-W366 HydrophobicContact CE-CH2 4.07Å; M325-W366 HydrophobicContact CE-CB 3.72Å; M325-W366 HydrophobicContact CE-CG 4.02Å; E362-W366 PolarHBondContact O-N 3.32Å; E362-W366 VanDerWaalsContact O-N 3.13Å; E364-W366 VanDerWaalsContact C-N 3.32Å; E364-W366 PolarHBondContact O-N 3.05Å; W366-L704 HydrophobicContact CD2-CD2 3.98Å; W366-L704 VanDerWaalsContact CE2-CD2 3.41Å; W366-L704 HydrophobicContact CE3-CD2 4.46Å; W366-L704 HydrophobicContact CH2-CD1 3.37Å; W366-L704 HydrophobicContact CH2-CD2 4.02Å; W366-L704 HydrophobicContact CH2-CG 4.34Å; W366-L704 HydrophobicContact CZ2-CD1 3.6Å; W366-L704 HydrophobicContact CZ2-CD2 3.46Å; W366-L704 VanDerWaalsContact CZ2-CD2 3.46Å; W366-L704 HydrophobicContact CZ2-CG 4.19Å; W366-L704 HydrophobicContact CZ3-CD1 3.95Å; W366-L704 HydrophobicContact CZ3-CD2 4.48Å; W366-V731 HydrophobicContact CG-CG2 4.37Å
367	A	97.6	Very high	98.2	Very high	60 Å²	60	32.7 Å²	32.7	50%	0.496	16%	0.163	S	C	.	.			trans	39.9	51	177.7	0	0	0	0	0	115	I363 E364 D369	I363-A367 WeakPolarHBondContact O-CA 3.12Å; I363-A367 PolarHBondContact O-N 3.43Å; E364-A367 PolarHBondContact O-N 3.01Å; A367-D369 PolarHBondContact O-N 2.95Å
368	P	98.4	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.			trans	-68.3	133.7	-168.4	29.3	-35.8	0	0	0	111.7	T323 M325 I363 I370 L371 Y394	T323-P368 WeakPolarHBondContact OG1-CA 3.33Å; M325-P368 HydrophobicContact CB-CB 3.62Å; M325-P368 HydrophobicContact CB-CG 3.73Å; M325-P368 HydrophobicContact CE-CG 4.16Å; M325-P368 HydrophobicContact SD-CG 4.23Å; I363-P368 WeakPolarHBondContact O-CD 3.03Å; P368-I370 VanDerWaalsContact C-N 3.26Å; P368-I370 PolarHBondContact O-N 3.24Å; P368-L371 HydrophobicContact CG-CB 4.34Å; P368-L371 HydrophobicContact CG-CD1 4.08Å; P368-Y394 WeakPolarHBondContact O-CE1 3.48Å; P368-Y394 VanDerWaalsContact O-CZ 3.28Å; P368-Y394 PolarHBondContact O-OH 3.18Å
369	D	98.8	Very high	98.2	Very high	18 Å²	18	32.6 Å²	32.6	10%	0.096	16%	0.16	C	C	.	.	S	Bend	trans	-67.7	-28.1	-177.8	-56.1	-76.3	0	0	0	112.9	F322 T323 A367 Y413 Q414 R417 F418	F322-D369 WeakPolarHBondContact CA-OD2 3.43Å; F322-D369 HydrophobicContact CB-CB 4.29Å; T323-D369 PolarHBondContact N-OD2 2.84Å; T323-D369 PolarHBondContact O-N 3.36Å; T323-D369 PolarHBondContact OG1-N 2.85Å; T323-D369 PolarHBondContact OG1-OD2 2.88Å; A367-D369 PolarHBondContact O-N 2.95Å; D369-Y413 CarbonylContact O-C 3.47Å; D369-Y413 WeakPolarHBondContact O-CA 3.5Å; D369-Q414 PolarHBondContact O-N 3.32Å; D369-R417 WeakPolarHBondContact OD1-CD 3.2Å; D369-R417 IonicContact OD1-CZ 3.35Å; D369-R417 IonicContact OD1-NE 3.93Å; D369-R417 IonicContact OD1-NH1 3.64Å; D369-R417 PolarHBondContact OD1-NH1 3.09Å; D369-R417 IonicContact OD2-CZ 3.66Å; D369-R417 IonicContact OD2-NH1 2.87Å; D369-R417 PolarHBondContact OD2-NH1 2.74Å; D369-F418 HydrophobicContact CB-CE2 4.18Å
370	I	98.9	Very high	98.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.8	172.6	-65	161.3	0	0	0	108.6	F322 T323 V324 M325 P368 C412 F418 L447 L464 V466	F322-I370 HydrophobicContact CD2-CD1 3.92Å; F322-I370 HydrophobicContact CE2-CD1 3.9Å; T323-I370 PolarHBondContact O-N 3.44Å; V324-I370 CarbonylContact C-O 3.57Å; V324-I370 VanDerWaalsContact CA-O 3.32Å; V324-I370 WeakPolarHBondContact CA-O 3.26Å; V324-I370 HydrophobicContact CG1-CG2 4.48Å; V324-I370 HydrophobicContact CG2-CB 4.31Å; V324-I370 HydrophobicContact CG2-CD1 4.49Å; M325-I370 PolarHBondContact N-O 2.83Å; P368-I370 VanDerWaalsContact C-N 3.26Å; P368-I370 PolarHBondContact O-N 3.24Å; I370-C412 CarbonylContact C-O 3.55Å; I370-C412 WeakPolarHBondContact CA-O 3.44Å; I370-F418 HydrophobicContact CD1-CD2 4.28Å; I370-F418 HydrophobicContact CD1-CE1 4.48Å; I370-F418 HydrophobicContact CD1-CE2 3.76Å; I370-F418 HydrophobicContact CD1-CZ 3.88Å; I370-F418 HydrophobicContact CG1-CD2 4.14Å; I370-F418 HydrophobicContact CG1-CE2 3.89Å; I370-L447 HydrophobicContact CD1-CD1 4.07Å; I370-L447 HydrophobicContact CG1-CD1 4.21Å; I370-L464 HydrophobicContact CD1-CD2 3.64Å; I370-V466 HydrophobicContact CD1-CG2 4.02Å; I370-V466 HydrophobicContact CG2-CG1 3.83Å; I370-V466 HydrophobicContact CG2-CG2 4.36Å
371	L	98.9	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	110.2	-174.6	178	65.8	0	0	0	110.6	M325 I363 P368 L373 L389 V411 C412	M325-L371 HydrophobicContact CB-CD1 3.69Å; M325-L371 HydrophobicContact CG-CD1 3.67Å; M325-L371 HydrophobicContact SD-CD1 3.43Å; M325-L371 WeakPolarHBondContact SD-CD1 3.27Å; I363-L371 HydrophobicContact CD1-CD2 4.03Å; I363-L371 HydrophobicContact CG1-CD1 4.48Å; I363-L371 HydrophobicContact CG1-CD2 4.29Å; I363-L371 HydrophobicContact CG2-CD2 4.03Å; P368-L371 HydrophobicContact CG-CB 4.34Å; P368-L371 HydrophobicContact CG-CD1 4.08Å; L371-L373 HydrophobicContact CD1-CD2 3.59Å; L371-L373 HydrophobicContact CD1-CG 4.32Å; L371-L373 HydrophobicContact CD2-CD1 4.28Å; L371-L373 HydrophobicContact CD2-CD2 4.21Å; L371-L373 HydrophobicContact CD2-CG 4.27Å; L371-L373 HydrophobicContact CG-CD1 4.49Å; L371-L373 HydrophobicContact CG-CD2 3.78Å; L371-L373 HydrophobicContact CG-CG 3.95Å; L371-L389 HydrophobicContact CD2-CD1 4.44Å; L371-L389 HydrophobicContact CD2-CD2 4.04Å; L371-V411 CarbonylContact O-C 3.58Å; L371-V411 WeakPolarHBondContact O-CA 3.46Å; L371-C412 HydrophobicContact CB-CB 4.26Å; L371-C412 PolarHBondContact N-O 2.86Å; L371-C412 PolarHBondContact O-N 2.84Å
372	C	98.9	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	103.2	179.6	-69.3	0	0	0	0	110	M325 S326 Y327 Q374 N468 C511	M325-C372 PolarHBondContact O-N 2.64Å; S326-C372 CarbonylContact C-O 3.53Å; S326-C372 VanDerWaalsContact CA-O 3.26Å; S326-C372 WeakPolarHBondContact CA-O 3.38Å; Y327-C372 PolarHBondContact N-O 3Å; C372-Q374 PolarHBondContact O-NE2 3.11Å; C372-Q374 VanDerWaalsContact O-NE2 3.09Å; C372-N468 HydrophobicContact CB-CB 4.13Å; C372-C511 HydrophobicContact CB-CB 3.48Å; C372-C511 VanDerWaalsContact CB-CB 3.48Å
373	L	98.9	Very high	98.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	146.9	-177.9	-57.7	-177.6	0	0	0	112.4	Y327 I329 L371 V376 C409 A410 N468	Y327-L373 WeakPolarHBondContact O-CA 3.41Å; I329-L373 HydrophobicContact CG2-CD2 3.88Å; L371-L373 HydrophobicContact CD1-CD2 3.59Å; L371-L373 HydrophobicContact CD1-CG 4.32Å; L371-L373 HydrophobicContact CD2-CD1 4.28Å; L371-L373 HydrophobicContact CD2-CD2 4.21Å; L371-L373 HydrophobicContact CD2-CG 4.27Å; L371-L373 HydrophobicContact CG-CD1 4.49Å; L371-L373 HydrophobicContact CG-CD2 3.78Å; L371-L373 HydrophobicContact CG-CG 3.95Å; L373-V376 HydrophobicContact CB-CG2 3.31Å; L373-V376 HydrophobicContact CD1-CG2 3.94Å; L373-V376 HydrophobicContact CG-CG2 4.28Å; L373-C409 WeakPolarHBondContact O-CA 3.4Å; L373-A410 HydrophobicContact CB-CB 4.31Å; L373-A410 PolarHBondContact N-O 2.72Å; L373-A410 PolarHBondContact O-N 2.56Å; L373-N468 PolarHBondContact N-ND2 2.85Å; L373-N468 PolarHBondContact O-ND2 2.88Å
374	Q	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158	170.7	-54.4	77.9	39.7	0	0	110.1	S326 Y327 N328 I329 C372 V376 N468 T469 H470 D513	S326-Q374 PolarHBondContact OG-NE2 3.3Å; Y327-Q374 PolarHBondContact O-N 2.93Å; Y327-Q374 PolarHBondContact O-OE1 3.06Å; N328-Q374 HydrophobicContact CB-CB 4.02Å; I329-Q374 PolarHBondContact N-O 2.76Å; C372-Q374 PolarHBondContact O-NE2 3.11Å; C372-Q374 VanDerWaalsContact O-NE2 3.09Å; Q374-V376 VanDerWaalsContact C-N 3.25Å; Q374-V376 PolarHBondContact O-N 2.84Å; Q374-N468 PolarHBondContact NE2-OD1 3.46Å; Q374-T469 WeakPolarHBondContact CG-O 3.2Å; Q374-H470 HydrophobicContact CB-CB 4.21Å; Q374-H470 HydrophobicContact CG-CB 4.21Å; Q374-D513 HydrophobicContact CG-CB 4.34Å
375	E	98.8	Very high	98.3	Very high	21 Å²	21	35 Å²	35	10%	0.098	17%	0.171	C	C	.	.	S	Bend	trans	53.9	36.2	-172.9	-59.9	-170	-156.4	0	0	115.2	N328 L330 A331 L334 Q377 G408 H470	N328-E375 PolarHBondContact ND2-OE1 2.9Å; N328-E375 WeakPolarHBondContact OD1-CB 3.26Å; N328-E375 VanDerWaalsContact OD1-CD 3.26Å; N328-E375 WeakPolarHBondContact OD1-CG 3.46Å; L330-E375 WeakPolarHBondContact CA-OE2 3.34Å; A331-E375 HydrophobicContact CB-CB 3.99Å; A331-E375 WeakPolarHBondContact CB-O 3.22Å; A331-E375 PolarHBondContact N-OE2 3.4Å; L334-E375 HydrophobicContact CD1-CG 4.16Å; L334-E375 WeakPolarHBondContact CD1-OE2 3.35Å; E375-Q377 PolarHBondContact O-N 3.37Å; E375-Q377 VanDerWaalsContact O-N 3.1Å; E375-G408 PolarHBondContact N-O 3.05Å; E375-G408 VanDerWaalsContact N-O 3.11Å; E375-H470 IonicContact OE1-CE1 2.73Å; E375-H470 PolarHBondContact OE1-CE1 3.49Å
376	V	98.8	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.			trans	-74.8	102.8	175.3	176	0	0	0	0	109.4	I329 L373 Q374 Y381 L385 Y398 D407 G408 A410	I329-V376 HydrophobicContact CD1-CG2 4.08Å; I329-V376 HydrophobicContact CG1-CG2 4.39Å; L373-V376 HydrophobicContact CB-CG2 3.31Å; L373-V376 HydrophobicContact CD1-CG2 3.94Å; L373-V376 HydrophobicContact CG-CG2 4.28Å; Q374-V376 VanDerWaalsContact C-N 3.25Å; Q374-V376 PolarHBondContact O-N 2.84Å; V376-Y381 HydrophobicContact CG1-CD2 3.66Å; V376-Y381 HydrophobicContact CG1-CG 3.92Å; V376-L385 HydrophobicContact CG1-CD1 4.36Å; V376-Y398 HydrophobicContact CB-CD2 4.26Å; V376-Y398 HydrophobicContact CB-CE2 3.79Å; V376-Y398 HydrophobicContact CG1-CD2 3.85Å; V376-Y398 HydrophobicContact CG1-CE2 3.57Å; V376-Y398 VanDerWaalsContact O-CE2 3.23Å; V376-Y398 WeakPolarHBondContact O-CE2 3.35Å; V376-Y398 PolarHBondContact O-OH 3.06Å; V376-D407 CarbonylContact O-C 3.58Å; V376-D407 WeakPolarHBondContact O-CA 3.03Å; V376-G408 PolarHBondContact N-O 3.35Å; V376-G408 PolarHBondContact O-N 3.41Å; V376-A410 HydrophobicContact CG1-CB 4.4Å; V376-A410 HydrophobicContact CG2-CB 4.07Å
377	Q	98.8	Very high	98.6	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.042	17%	0.168	C	C	.	.			trans	-70.9	135.1	178.3	-173.1	173.6	-31.6	0	0	112	A331 D333 E375 N379 H380 Y381 T406	A331-Q377 HydrophobicContact CB-CB 4.23Å; D333-Q377 VanDerWaalsContact CG-CD 3.42Å; D333-Q377 PolarHBondContact OD1-NE2 3.25Å; D333-Q377 PolarHBondContact OD1-OE1 2.98Å; D333-Q377 PolarHBondContact OD2-NE2 3.38Å; E375-Q377 PolarHBondContact O-N 3.37Å; E375-Q377 VanDerWaalsContact O-N 3.1Å; Q377-N379 WeakPolarHBondContact CG-OD1 3.29Å; Q377-N379 PolarHBondContact NE2-OD1 3.18Å; Q377-H380 HydrophobicContact CB-CB 4.29Å; Q377-H380 PolarHBondContact NE2-CE1 3.18Å; Q377-H380 VanDerWaalsContact NE2-CE1 3.32Å; Q377-H380 PolarHBondContact O-N 2.94Å; Q377-Y381 WeakPolarHBondContact O-CB 3.46Å; Q377-Y381 PolarHBondContact O-N 3.29Å; Q377-T406 WeakPolarHBondContact CA-O 3.36Å
378	E	98.7	Very high	98.6	Very high	72 Å²	72	31.6 Å²	31.6	34%	0.336	16%	0.156	S	C	.	.	H	α-helix	trans	-60.5	-50.3	-165.3	-171.9	168.2	-119.5	0	0	114.6	Y381 H382 Y398 R400 T406	E378-Y381 WeakPolarHBondContact O-CB 3.31Å; E378-Y381 PolarHBondContact O-N 3.47Å; E378-H382 PolarHBondContact O-CD2 3.43Å; E378-H382 PolarHBondContact O-N 2.88Å; E378-H382 VanDerWaalsContact O-N 3.15Å; E378-Y398 WeakPolarHBondContact CA-OH 3.5Å; E378-Y398 HydrophobicContact CB-CE1 4.38Å; E378-Y398 HydrophobicContact CG-CE1 4.22Å; E378-Y398 PolarHBondContact N-OH 2.81Å; E378-R400 VanDerWaalsContact OE1-CD 3.27Å; E378-R400 WeakPolarHBondContact OE1-CD 3.35Å; E378-R400 IonicContact OE1-CZ 2.66Å; E378-R400 IonicContact OE1-NE 3.67Å; E378-R400 PolarHBondContact OE1-NE 2.87Å; E378-R400 IonicContact OE1-NH2 2.74Å; E378-R400 WeakPolarHBondContact OE2-CD 3.35Å; E378-R400 IonicContact OE2-CZ 2.82Å; E378-R400 IonicContact OE2-NE 3.47Å; E378-R400 PolarHBondContact OE2-NE 2.87Å; E378-R400 VanDerWaalsContact OE2-NE 3.12Å; E378-T406 PolarHBondContact N-O 2.81Å
379	N	98.4	Very high	98.6	Very high	59 Å²	59	31.7 Å²	31.7	32%	0.316	16%	0.156	S	C	.	.	H	α-helix	trans	-65	-46.5	177.4	72.3	-61.1	0	0	0	110.5	Q377 Y381 H382 E383	Q377-N379 WeakPolarHBondContact CG-OD1 3.29Å; Q377-N379 PolarHBondContact NE2-OD1 3.18Å; N379-Y381 VanDerWaalsContact C-N 3.27Å; N379-Y381 PolarHBondContact O-N 2.88Å; N379-H382 PolarHBondContact O-N 3.26Å; N379-H382 VanDerWaalsContact O-N 3.15Å; N379-E383 PolarHBondContact ND2-OE2 3.49Å; N379-E383 VanDerWaalsContact O-CB 3.24Å; N379-E383 WeakPolarHBondContact O-CB 3.49Å; N379-E383 VanDerWaalsContact O-CG 3.25Å; N379-E383 WeakPolarHBondContact O-CG 3.36Å; N379-E383 PolarHBondContact O-N 2.95Å
380	H	98.6	Very high	98.6	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.093	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-31.8	178.7	-64.5	152	0	0	0	113.4	W352 Q377 H384 L385	W352-H380 AromaticContact CD1-CD2 3.51Å; W352-H380 AromaticContact CD1-CE1 3.84Å; W352-H380 AromaticContact CD1-CG 3.89Å; W352-H380 AromaticContact CD1-NE2 3.5Å; W352-H380 HydrophobicContact CD2-CB 4.4Å; W352-H380 AromaticContact CD2-CE1 3.97Å; W352-H380 AromaticContact CD2-CG 3.85Å; W352-H380 AromaticContact CD2-ND1 3.65Å; W352-H380 AromaticContact CE2-CD2 3.88Å; W352-H380 AromaticContact CE2-CG 3.5Å; W352-H380 AromaticContact CE2-ND1 3.82Å; W352-H380 AromaticContact CG-CE1 3.69Å; W352-H380 AromaticContact CG-ND1 3.87Å; W352-H380 AromaticContact CG-NE2 3.82Å; W352-H380 HydrophobicContact CH2-CB 4.18Å; W352-H380 HydrophobicContact CZ2-CB 3.59Å; W352-H380 AromaticContact CZ2-CG 3.95Å; W352-H380 AromaticContact NE1-CD2 3.38Å; W352-H380 PolarHBondContact NE1-CD2 3.25Å; W352-H380 AromaticContact NE1-CG 3.51Å; W352-H380 AromaticContact NE1-NE2 3.88Å; Q377-H380 HydrophobicContact CB-CB 4.29Å; Q377-H380 PolarHBondContact NE2-CE1 3.18Å; Q377-H380 VanDerWaalsContact NE2-CE1 3.32Å; Q377-H380 PolarHBondContact O-N 2.94Å; H380-H384 AromaticContact CD2-ND1 3.81Å; H380-H384 WeakPolarHBondContact O-CB 3.43Å; H380-H384 PolarHBondContact O-N 3.46Å; H380-L385 PolarHBondContact O-N 2.69Å
381	Y	98.8	Very high	98.5	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.039	21%	0.206	C	C	.	.	I	π-helix	trans	-63.2	-55.2	170.6	175.3	-106.8	0	0	0	111.7	V376 Q377 E378 N379 L385 H386 C396 Y398 A410	V376-Y381 HydrophobicContact CG1-CD2 3.66Å; V376-Y381 HydrophobicContact CG1-CG 3.92Å; Q377-Y381 WeakPolarHBondContact O-CB 3.46Å; Q377-Y381 PolarHBondContact O-N 3.29Å; E378-Y381 WeakPolarHBondContact O-CB 3.31Å; E378-Y381 PolarHBondContact O-N 3.47Å; N379-Y381 VanDerWaalsContact C-N 3.27Å; N379-Y381 PolarHBondContact O-N 2.88Å; Y381-L385 PolarHBondContact O-N 3.38Å; Y381-H386 HydrophobicContact CD2-CB 4.34Å; Y381-H386 HydrophobicContact CE1-CB 4.23Å; Y381-H386 HydrophobicContact CE2-CB 4.04Å; Y381-H386 AromaticContact CZ-CD2 3.76Å; Y381-H386 WeakPolarHBondContact O-CB 3.49Å; Y381-H386 PolarHBondContact O-N 3.05Å; Y381-H386 PolarHBondContact OH-CD2 3.07Å; Y381-C396 HydrophobicContact CE2-CB 4.49Å; Y381-C396 WeakPolarHBondContact OH-CB 3.13Å; Y381-Y398 AromaticContact CD1-CD1 3.8Å; Y381-Y398 HydrophobicContact CD1-CD1 3.8Å; Y381-Y398 HydrophobicContact CD1-CE1 4.35Å; Y381-Y398 AromaticContact CD1-CG 3.89Å; Y381-Y398 HydrophobicContact CD1-CG 3.89Å; Y381-Y398 VanDerWaalsContact CE1-CB 3.48Å; Y381-Y398 AromaticContact CE1-CD1 3.97Å; Y381-Y398 HydrophobicContact CE1-CD1 3.97Å; Y381-Y398 AromaticContact CE1-CG 3.84Å; Y381-Y398 HydrophobicContact CE1-CG 3.84Å; Y381-Y398 HydrophobicContact CE2-CG 4.46Å; Y381-Y398 HydrophobicContact CG-CD1 4.41Å; Y381-Y398 HydrophobicContact CG-CD2 4.41Å; Y381-Y398 HydrophobicContact CG-CG 4.23Å; Y381-Y398 VanDerWaalsContact CZ-CB 3.44Å; Y381-A410 HydrophobicContact CE2-CB 4.39Å
382	H	98.5	Very high	98.4	Very high	109 Å²	109	44.4 Å²	44.4	51%	0.505	22%	0.218	S	C	.	.	I	π-helix	trans	-70	-35.2	-175.9	-72	-60.9	0	0	0	113.5	E378 N379 P387	E378-H382 PolarHBondContact O-CD2 3.43Å; E378-H382 PolarHBondContact O-N 2.88Å; E378-H382 VanDerWaalsContact O-N 3.15Å; N379-H382 PolarHBondContact O-N 3.26Å; N379-H382 VanDerWaalsContact O-N 3.15Å; H382-P387 WeakPolarHBondContact O-CD 3.45Å; H382-P387 WeakPolarHBondContact O-CG 3.31Å
383	E	98.2	Very high	98.4	Very high	115 Å²	115	45.6 Å²	45.6	54%	0.537	23%	0.231	S	C	.	.	I	π-helix	trans	-86.6	-38	-174.6	-66.4	162.5	178.1	0	0	113.2	N379	N379-E383 PolarHBondContact ND2-OE2 3.49Å; N379-E383 VanDerWaalsContact O-CB 3.24Å; N379-E383 WeakPolarHBondContact O-CB 3.49Å; N379-E383 VanDerWaalsContact O-CG 3.25Å; N379-E383 WeakPolarHBondContact O-CG 3.36Å; N379-E383 PolarHBondContact O-N 2.95Å
384	H	98	Very high	98.4	Very high	77 Å²	77	46 Å²	46	36%	0.356	23%	0.232	S	C	.	.	I	π-helix	trans	-120.3	-49.6	-167.2	-54.4	98.1	0	0	0	113.5	W352 H380 V388	W352-H384 HydrophobicContact CZ2-CB 4.43Å; W352-H384 AromaticContact NE1-CE1 3.94Å; W352-H384 AromaticContact NE1-CG 3.83Å; W352-H384 AromaticContact NE1-ND1 3.49Å; W352-H384 PolarHBondContact NE1-ND1 2.9Å; H380-H384 AromaticContact CD2-ND1 3.81Å; H380-H384 WeakPolarHBondContact O-CB 3.43Å; H380-H384 PolarHBondContact O-N 3.46Å; H384-V388 WeakPolarHBondContact O-CG2 3.31Å
385	L	98.3	Very high	98.4	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	25%	0.252	C	S	.	.	I	π-helix	trans	-79.8	-55	-172.5	-58.5	174.6	0	0	0	112.4	I329 W352 L360 V376 H380 Y381 V388 L389	I329-L385 HydrophobicContact CD1-CD1 3.59Å; W352-L385 HydrophobicContact CH2-CD1 4.3Å; W352-L385 HydrophobicContact CH2-CD2 4.25Å; W352-L385 HydrophobicContact CH2-CG 4.41Å; W352-L385 HydrophobicContact CZ2-CD2 4.36Å; W352-L385 HydrophobicContact CZ2-CG 4.38Å; L360-L385 HydrophobicContact CD2-CD2 4.04Å; L360-L385 HydrophobicContact CG-CD2 4.42Å; V376-L385 HydrophobicContact CG1-CD1 4.36Å; H380-L385 PolarHBondContact O-N 2.69Å; Y381-L385 PolarHBondContact O-N 3.38Å; L385-V388 PolarHBondContact O-N 3Å; L385-L389 HydrophobicContact CB-CD1 4.36Å; L385-L389 WeakPolarHBondContact O-CB 3.43Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.41Å; L385-L389 PolarHBondContact O-N 3.37Å
386	H	98.5	Very high	98.4	Very high	63 Å²	63	49.7 Å²	49.7	29%	0.292	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-46.9	-175.9	179.6	-89.6	0	0	0	112.9	Y381 V388 L389 S390	Y381-H386 HydrophobicContact CD2-CB 4.34Å; Y381-H386 HydrophobicContact CE1-CB 4.23Å; Y381-H386 HydrophobicContact CE2-CB 4.04Å; Y381-H386 AromaticContact CZ-CD2 3.76Å; Y381-H386 WeakPolarHBondContact O-CB 3.49Å; Y381-H386 PolarHBondContact O-N 3.05Å; Y381-H386 PolarHBondContact OH-CD2 3.07Å; H386-V388 VanDerWaalsContact C-N 3.3Å; H386-V388 PolarHBondContact O-N 3.13Å; H386-L389 PolarHBondContact O-N 3Å; H386-S390 PolarHBondContact CE1-OG 2.74Å; H386-S390 PolarHBondContact NE2-OG 3.35Å; H386-S390 PolarHBondContact O-N 3.24Å; H386-S390 PolarHBondContact O-OG 3.13Å
387	P	98.5	Very high	98.4	Very high	46 Å²	46	50.3 Å²	50.3	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-37.8	-179.4	-24.2	36	0	0	0	113.3	H382 Q391	H382-P387 WeakPolarHBondContact O-CD 3.45Å; H382-P387 WeakPolarHBondContact O-CG 3.31Å; P387-Q391 WeakPolarHBondContact O-CB 3.48Å; P387-Q391 VanDerWaalsContact O-CG 3.25Å; P387-Q391 WeakPolarHBondContact O-CG 3.33Å; P387-Q391 PolarHBondContact O-N 3.41Å; P387-Q391 PolarHBondContact O-NE2 3.29Å
388	V	98.3	Very high	98.4	Very high	41 Å²	41	50.8 Å²	50.8	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-76.1	-38.2	179.6	178.9	0	0	0	0	111.3	L360 H384 L385 H386 Q391 R392	L360-V388 HydrophobicContact CD1-CB 4.42Å; L360-V388 HydrophobicContact CD1-CG1 4.36Å; L360-V388 HydrophobicContact CD1-CG2 4.17Å; L360-V388 HydrophobicContact CD2-CB 4.14Å; L360-V388 HydrophobicContact CD2-CG1 3.97Å; H384-V388 WeakPolarHBondContact O-CG2 3.31Å; L385-V388 PolarHBondContact O-N 3Å; H386-V388 VanDerWaalsContact C-N 3.3Å; H386-V388 PolarHBondContact O-N 3.13Å; V388-Q391 PolarHBondContact O-N 3.37Å; V388-R392 WeakPolarHBondContact O-CG 3.19Å; V388-R392 PolarHBondContact O-N 3.02Å
389	L	98.4	Very high	98.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-66.5	-44.5	175.9	-69.3	169.8	0	0	0	111.6	I363 L371 L385 H386 Q391 R392 G393 Y394	I363-L389 HydrophobicContact CG2-CD2 4.06Å; L371-L389 HydrophobicContact CD2-CD1 4.44Å; L371-L389 HydrophobicContact CD2-CD2 4.04Å; L385-L389 HydrophobicContact CB-CD1 4.36Å; L385-L389 WeakPolarHBondContact O-CB 3.43Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.41Å; L385-L389 PolarHBondContact O-N 3.37Å; H386-L389 PolarHBondContact O-N 3Å; L389-Q391 VanDerWaalsContact C-N 3.34Å; L389-Q391 PolarHBondContact O-N 3.12Å; L389-R392 CarbonylContact O-C 3.55Å; L389-R392 WeakPolarHBondContact O-CA 3.26Å; L389-R392 PolarHBondContact O-N 3.09Å; L389-G393 PolarHBondContact O-N 2.97Å; L389-Y394 HydrophobicContact CB-CD2 4.3Å; L389-Y394 HydrophobicContact CB-CG 4.5Å; L389-Y394 HydrophobicContact CD2-CD2 3.93Å; L389-Y394 HydrophobicContact CD2-CE2 4.22Å; L389-Y394 HydrophobicContact CD2-CG 4.44Å; L389-Y394 WeakPolarHBondContact O-CB 3.35Å; L389-Y394 WeakPolarHBondContact O-CD2 3.33Å; L389-Y394 PolarHBondContact O-N 3.09Å; L389-Y394 VanDerWaalsContact O-N 3.11Å
390	S	98.3	Very high	98.4	Very high	53 Å²	53	49.5 Å²	49.5	37%	0.371	25%	0.247	S	C	.	.	H	α-helix	trans	-62.6	-38.7	175.4	-59.8	0	0	0	0	112.8	H386 R392 G393 Y394	H386-S390 PolarHBondContact CE1-OG 2.74Å; H386-S390 PolarHBondContact NE2-OG 3.35Å; H386-S390 PolarHBondContact O-N 3.24Å; H386-S390 PolarHBondContact O-OG 3.13Å; S390-R392 PolarHBondContact O-N 3.28Å; S390-G393 PolarHBondContact O-N 3.28Å; S390-G393 VanDerWaalsContact O-N 3.12Å; S390-Y394 WeakPolarHBondContact CA-O 3.16Å
391	Q	97.9	Very high	98.4	Very high	163 Å²	163	50.3 Å²	50.3	76%	0.762	25%	0.249	S	C	*	.	H	α-helix	trans	-62.6	-24.4	172.3	-77.1	169.2	68.3	0	0	113.2	P387 V388 L389	P387-Q391 WeakPolarHBondContact O-CB 3.48Å; P387-Q391 VanDerWaalsContact O-CG 3.25Å; P387-Q391 WeakPolarHBondContact O-CG 3.33Å; P387-Q391 PolarHBondContact O-N 3.41Å; P387-Q391 PolarHBondContact O-NE2 3.29Å; V388-Q391 PolarHBondContact O-N 3.37Å; L389-Q391 VanDerWaalsContact C-N 3.34Å; L389-Q391 PolarHBondContact O-N 3.12Å
392	R	96.8	Very high	98.3	Very high	70 Å²	70	50.6 Å²	50.6	26%	0.264	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	13.6	176	-69.8	173.4	173.7	175.6	-2.1	113.7	L360 E364 V388 L389 S390 Y394 Q414	L360-R392 PolarHBondContact O-NH1 3.25Å; E364-R392 IonicContact OE1-CZ 3.92Å; E364-R392 IonicContact OE1-NE 3.08Å; E364-R392 IonicContact OE1-NH2 3.83Å; E364-R392 PolarHBondContact OE1-NH2 3.42Å; E364-R392 IonicContact OE2-CZ 3.49Å; E364-R392 IonicContact OE2-NH2 3.45Å; E364-R392 PolarHBondContact OE2-NH2 2.76Å; V388-R392 WeakPolarHBondContact O-CG 3.19Å; V388-R392 PolarHBondContact O-N 3.02Å; L389-R392 CarbonylContact O-C 3.55Å; L389-R392 WeakPolarHBondContact O-CA 3.26Å; L389-R392 PolarHBondContact O-N 3.09Å; S390-R392 PolarHBondContact O-N 3.28Å; R392-Y394 HydrophobicContact CB-CD2 3.93Å; R392-Y394 HydrophobicContact CB-CE2 4.02Å; R392-Q414 PolarHBondContact O-NE2 2.82Å
393	G	98.1	Very high	98.1	Very high	25 Å²	25	47.7 Å²	47.7	26%	0.258	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	3.7	174.7	0	0	0	0	0	115.6	L389 S390 Q414 S415	L389-G393 PolarHBondContact O-N 2.97Å; S390-G393 PolarHBondContact O-N 3.28Å; S390-G393 VanDerWaalsContact O-N 3.12Å; G393-Q414 PolarHBondContact O-OE1 2.94Å; G393-S415 WeakPolarHBondContact O-CB 3.42Å; G393-S415 PolarHBondContact O-N 3.46Å; G393-S415 VanDerWaalsContact O-N 3.07Å; G393-S415 PolarHBondContact O-OG 3.35Å
394	Y	98.8	Very high	98	Very high	10 Å²	10	48.6 Å²	48.6	4%	0.039	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.2	178.4	-66.5	-85.3	0	0	0	112.5	P368 L389 S390 R392 C412 Y413 Q414	P368-Y394 WeakPolarHBondContact O-CE1 3.48Å; P368-Y394 VanDerWaalsContact O-CZ 3.28Å; P368-Y394 PolarHBondContact O-OH 3.18Å; L389-Y394 HydrophobicContact CB-CD2 4.3Å; L389-Y394 HydrophobicContact CB-CG 4.5Å; L389-Y394 HydrophobicContact CD2-CD2 3.93Å; L389-Y394 HydrophobicContact CD2-CE2 4.22Å; L389-Y394 HydrophobicContact CD2-CG 4.44Å; L389-Y394 WeakPolarHBondContact O-CB 3.35Å; L389-Y394 WeakPolarHBondContact O-CD2 3.33Å; L389-Y394 PolarHBondContact O-N 3.09Å; L389-Y394 VanDerWaalsContact O-N 3.11Å; S390-Y394 WeakPolarHBondContact CA-O 3.16Å; R392-Y394 HydrophobicContact CB-CD2 3.93Å; R392-Y394 HydrophobicContact CB-CE2 4.02Å; Y394-C412 HydrophobicContact CD1-CB 3.99Å; Y394-C412 HydrophobicContact CG-CB 4.37Å; Y394-Y413 WeakPolarHBondContact CA-O 3.28Å; Y394-Q414 HydrophobicContact CD1-CG 4.31Å; Y394-Q414 HydrophobicContact CE1-CG 3.85Å; Y394-Q414 VanDerWaalsContact CE2-NE2 3.3Å; Y394-Q414 VanDerWaalsContact CZ-NE2 3.29Å
395	I	98.7	Very high	97.9	Very high	81 Å²	81	48.2 Å²	48.2	42%	0.415	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.2	156.1	-62.5	163.6	0	0	0	107	C412 Y413	I395-C412 CarbonylContact O-C 3.56Å; I395-C412 WeakPolarHBondContact O-CA 3.36Å; I395-Y413 HydrophobicContact CB-CD2 4.49Å; I395-Y413 HydrophobicContact CB-CE1 4.17Å; I395-Y413 HydrophobicContact CB-CE2 3.84Å; I395-Y413 HydrophobicContact CD1-CE2 3.96Å; I395-Y413 HydrophobicContact CG1-CE2 4.43Å; I395-Y413 HydrophobicContact CG2-CE1 4.09Å; I395-Y413 HydrophobicContact CG2-CE2 4.36Å; I395-Y413 VanDerWaalsContact CG2-OH 3.23Å; I395-Y413 WeakPolarHBondContact CG2-OH 3.24Å; I395-Y413 PolarHBondContact N-O 2.96Å; I395-Y413 PolarHBondContact O-N 3.27Å
396	C	98.6	Very high	97.9	Very high	17 Å²	17	50.7 Å²	50.7	12%	0.115	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.2	-173.3	-71.9	0	0	0	0	112.3	Y381 C412	Y381-C396 HydrophobicContact CE2-CB 4.49Å; Y381-C396 WeakPolarHBondContact OH-CB 3.13Å; C396-C412 HydrophobicContact CB-CB 4.09Å; C396-C412 WeakPolarHBondContact CB-SG 3.44Å; C396-C412 WeakPolarHBondContact SG-CB 3.48Å; C396-C412 CovalentContact SG-SG 2.04Å; C396-C412 PolarHBondContact SG-SG 2.78Å
397	V	98.7	Very high	97.9	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.085	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.8	172.7	-179	0	0	0	0	109.3	A410 V411 V423 V443 L445	V397-A410 CarbonylContact O-C 3.54Å; V397-A410 WeakPolarHBondContact O-CA 3.27Å; V397-V411 PolarHBondContact N-O 3.1Å; V397-V411 PolarHBondContact O-N 3.03Å; V397-V423 HydrophobicContact CG1-CG1 3.73Å; V397-V423 HydrophobicContact CG2-CG2 4.42Å; V397-V443 HydrophobicContact CG1-CG1 4Å; V397-L445 HydrophobicContact CB-CD2 3.99Å; V397-L445 HydrophobicContact CG1-CD2 4.1Å; V397-L445 HydrophobicContact CG2-CD1 4.36Å; V397-L445 HydrophobicContact CG2-CD2 3.81Å
398	Y	98.8	Very high	97.9	Very high	19 Å²	19	45.6 Å²	45.6	8%	0.075	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.8	175.7	176.4	-118.2	0	0	0	112.5	V376 E378 Y381 R400 C409 A410 K425	V376-Y398 HydrophobicContact CB-CD2 4.26Å; V376-Y398 HydrophobicContact CB-CE2 3.79Å; V376-Y398 HydrophobicContact CG1-CD2 3.85Å; V376-Y398 HydrophobicContact CG1-CE2 3.57Å; V376-Y398 VanDerWaalsContact O-CE2 3.23Å; V376-Y398 WeakPolarHBondContact O-CE2 3.35Å; V376-Y398 PolarHBondContact O-OH 3.06Å; E378-Y398 WeakPolarHBondContact CA-OH 3.5Å; E378-Y398 HydrophobicContact CB-CE1 4.38Å; E378-Y398 HydrophobicContact CG-CE1 4.22Å; E378-Y398 PolarHBondContact N-OH 2.81Å; Y381-Y398 AromaticContact CD1-CD1 3.8Å; Y381-Y398 HydrophobicContact CD1-CD1 3.8Å; Y381-Y398 HydrophobicContact CD1-CE1 4.35Å; Y381-Y398 AromaticContact CD1-CG 3.89Å; Y381-Y398 HydrophobicContact CD1-CG 3.89Å; Y381-Y398 VanDerWaalsContact CE1-CB 3.48Å; Y381-Y398 AromaticContact CE1-CD1 3.97Å; Y381-Y398 HydrophobicContact CE1-CD1 3.97Å; Y381-Y398 AromaticContact CE1-CG 3.84Å; Y381-Y398 HydrophobicContact CE1-CG 3.84Å; Y381-Y398 HydrophobicContact CE2-CG 4.46Å; Y381-Y398 HydrophobicContact CG-CD1 4.41Å; Y381-Y398 HydrophobicContact CG-CD2 4.41Å; Y381-Y398 HydrophobicContact CG-CG 4.23Å; Y381-Y398 VanDerWaalsContact CZ-CB 3.44Å; Y398-R400 HydrophobicContact CE1-CB 3.9Å; Y398-C409 VanDerWaalsContact CD2-O 3.29Å; Y398-C409 WeakPolarHBondContact CD2-O 2.93Å; Y398-A410 HydrophobicContact CD2-CB 4.2Å; Y398-K425 WeakPolarHBondContact O-CE 3.25Å; Y398-K425 PolarHBondContact O-NZ 3.15Å
399	Q	98.5	Very high	97.9	Very high	31 Å²	31	43.8 Å²	43.8	15%	0.145	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	111.8	168	178.1	59.7	41.1	0	0	109.2	G408 C409 K425 V441 V443	Q399-G408 CarbonylContact O-C 2.9Å; Q399-G408 VanDerWaalsContact O-CA 3.27Å; Q399-G408 WeakPolarHBondContact O-CA 3.28Å; Q399-C409 PolarHBondContact N-O 3.41Å; Q399-C409 PolarHBondContact O-N 2.86Å; Q399-K425 HydrophobicContact CB-CB 4.47Å; Q399-K425 HydrophobicContact CB-CD 4.21Å; Q399-K425 HydrophobicContact CG-CB 4.29Å; Q399-V441 HydrophobicContact CG-CB 3.94Å; Q399-V441 HydrophobicContact CG-CG1 4.2Å; Q399-V441 HydrophobicContact CG-CG2 4.04Å; Q399-V443 HydrophobicContact CB-CG2 3.72Å
400	R	98.6	Very high	98	Very high	73 Å²	73	43.7 Å²	43.7	28%	0.275	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	150.4	168.3	-167.7	171.7	53.3	83.8	-10.1	110.8	E378 Y398 G403 K405 D407	E378-R400 VanDerWaalsContact OE1-CD 3.27Å; E378-R400 WeakPolarHBondContact OE1-CD 3.35Å; E378-R400 IonicContact OE1-CZ 2.66Å; E378-R400 IonicContact OE1-NE 3.67Å; E378-R400 PolarHBondContact OE1-NE 2.87Å; E378-R400 IonicContact OE1-NH2 2.74Å; E378-R400 WeakPolarHBondContact OE2-CD 3.35Å; E378-R400 IonicContact OE2-CZ 2.82Å; E378-R400 IonicContact OE2-NE 3.47Å; E378-R400 PolarHBondContact OE2-NE 2.87Å; E378-R400 VanDerWaalsContact OE2-NE 3.12Å; Y398-R400 HydrophobicContact CE1-CB 3.9Å; R400-G403 PolarHBondContact NH1-O 3.13Å; R400-G403 VanDerWaalsContact NH1-O 3.15Å; R400-K405 WeakPolarHBondContact CD-O 3.46Å; R400-K405 WeakPolarHBondContact CG-O 3.28Å; R400-K405 PolarHBondContact NH1-O 3.26Å; R400-D407 WeakPolarHBondContact CG-O 3.46Å
401	R	98.4	Very high	98	Very high	36 Å²	36	41.2 Å²	41.2	14%	0.136	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-62.1	149.9	167.1	-71.6	165.4	80.6	178.3	14.2	110.9	K405 D407 H439 V441	R401-K405 HydrophobicContact CB-CB 3.55Å; R401-K405 HydrophobicContact CB-CG 4.34Å; R401-D407 VanDerWaalsContact CB-O 3.28Å; R401-D407 WeakPolarHBondContact CB-O 3.5Å; R401-D407 VanDerWaalsContact CD-CG 3.45Å; R401-D407 WeakPolarHBondContact CD-OD1 3.36Å; R401-D407 WeakPolarHBondContact CD-OD2 3.45Å; R401-D407 WeakPolarHBondContact CG-O 3.22Å; R401-D407 IonicContact CZ-OD1 3.83Å; R401-D407 IonicContact CZ-OD2 3.41Å; R401-D407 PolarHBondContact N-O 2.83Å; R401-D407 IonicContact NE-OD1 3.16Å; R401-D407 IonicContact NE-OD2 2.79Å; R401-D407 IonicContact NH1-OD1 2.77Å; R401-D407 PolarHBondContact NH1-OD1 3.27Å; R401-D407 IonicContact NH1-OD2 3.33Å; R401-D407 PolarHBondContact NH1-OD2 2.92Å; R401-H439 WeakPolarHBondContact CA-O 3.49Å; R401-H439 WeakPolarHBondContact CB-O 3.2Å; R401-H439 WeakPolarHBondContact CG-O 3.2Å; R401-V441 HydrophobicContact CG-CG2 3.83Å
402	T	96.8	Very high	98	Very high	17 Å²	17	33.4 Å²	33.4	10%	0.104	19%	0.185	C	C	.	.	S	Bend	trans	-76.4	169.1	-176.2	53.3	0	0	0	0	112.6	E427 H439 V441	T402-E427 HydrophobicContact CG2-CB 4.15Å; T402-E427 HydrophobicContact CG2-CG 3.67Å; T402-E427 WeakPolarHBondContact CG2-OE1 3.4Å; T402-H439 PolarHBondContact N-O 3.3Å; T402-H439 WeakPolarHBondContact O-CB 3.32Å; T402-H439 VanDerWaalsContact O-CG 3.23Å; T402-H439 WeakPolarHBondContact OG1-CA 3.29Å; T402-H439 WeakPolarHBondContact OG1-CB 3.3Å; T402-H439 PolarHBondContact OG1-ND1 3.15Å; T402-V441 HydrophobicContact CG2-CG1 4.5Å
403	G	95.2	Very high	98.1	Very high	48 Å²	48	30.4 Å²	30.4	50%	0.495	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-139.4	-177.4	0	0	0	0	0	112.8	R400 K405	R400-G403 PolarHBondContact NH1-O 3.13Å; R400-G403 VanDerWaalsContact NH1-O 3.15Å; G403-K405 VanDerWaalsContact C-N 3.29Å; G403-K405 PolarHBondContact O-N 3.2Å
404	T	95.3	Very high	98.1	Very high	133 Å²	133	30.7 Å²	30.7	82%	0.816	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	8.8	-174.2	53	0	0	0	0	114.7
405	K	97.3	Very high	98	Very high	70 Å²	70	32.7 Å²	32.7	30%	0.304	18%	0.184	S	C	.	.			trans	-84	127.4	179.5	-66.6	-60.2	177.2	-170.6	0	111.4	R400 R401 G403	R400-K405 WeakPolarHBondContact CD-O 3.46Å; R400-K405 WeakPolarHBondContact CG-O 3.28Å; R400-K405 PolarHBondContact NH1-O 3.26Å; R401-K405 HydrophobicContact CB-CB 3.55Å; R401-K405 HydrophobicContact CB-CG 4.34Å; G403-K405 VanDerWaalsContact C-N 3.29Å; G403-K405 PolarHBondContact O-N 3.2Å
406	T	97.8	Very high	97.9	Very high	54 Å²	54	32.4 Å²	32.4	33%	0.331	19%	0.189	S	C	.	.			trans	-87.8	-13.8	-177.3	48.2	0	0	0	0	113.1	D333 Q377 E378	D333-T406 WeakPolarHBondContact OD2-CB 3.5Å; D333-T406 WeakPolarHBondContact OD2-CG2 3.48Å; D333-T406 PolarHBondContact OD2-OG1 3.15Å; Q377-T406 WeakPolarHBondContact CA-O 3.36Å; E378-T406 PolarHBondContact N-O 2.81Å
407	D	98.6	Very high	97.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.193	C	C	.	.			trans	-98.8	164.9	-178.7	72.8	-68.8	0	0	0	113.4	A331 L334 V376 R400 R401	A331-D407 HydrophobicContact CB-CB 3.85Å; L334-D407 HydrophobicContact CD1-CB 4.26Å; V376-D407 CarbonylContact O-C 3.58Å; V376-D407 WeakPolarHBondContact O-CA 3.03Å; R400-D407 WeakPolarHBondContact CG-O 3.46Å; R401-D407 VanDerWaalsContact CB-O 3.28Å; R401-D407 WeakPolarHBondContact CB-O 3.5Å; R401-D407 VanDerWaalsContact CD-CG 3.45Å; R401-D407 WeakPolarHBondContact CD-OD1 3.36Å; R401-D407 WeakPolarHBondContact CD-OD2 3.45Å; R401-D407 WeakPolarHBondContact CG-O 3.22Å; R401-D407 IonicContact CZ-OD1 3.83Å; R401-D407 IonicContact CZ-OD2 3.41Å; R401-D407 PolarHBondContact N-O 2.83Å; R401-D407 IonicContact NE-OD1 3.16Å; R401-D407 IonicContact NE-OD2 2.79Å; R401-D407 IonicContact NH1-OD1 2.77Å; R401-D407 PolarHBondContact NH1-OD1 3.27Å; R401-D407 IonicContact NH1-OD2 3.33Å; R401-D407 PolarHBondContact NH1-OD2 2.92Å
408	G	98.6	Very high	97.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-171.3	-173.8	0	0	0	0	0	114.8	E375 V376 Q399	E375-G408 PolarHBondContact N-O 3.05Å; E375-G408 VanDerWaalsContact N-O 3.11Å; V376-G408 PolarHBondContact N-O 3.35Å; V376-G408 PolarHBondContact O-N 3.41Å; Q399-G408 CarbonylContact O-C 2.9Å; Q399-G408 VanDerWaalsContact O-CA 3.27Å; Q399-G408 WeakPolarHBondContact O-CA 3.28Å
409	C	98.8	Very high	97.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.6	174.8	-62.8	0	0	0	0	109.9	L373 Y398 Q399 V443	L373-C409 WeakPolarHBondContact O-CA 3.4Å; Y398-C409 VanDerWaalsContact CD2-O 3.29Å; Y398-C409 WeakPolarHBondContact CD2-O 2.93Å; Q399-C409 PolarHBondContact N-O 3.41Å; Q399-C409 PolarHBondContact O-N 2.86Å; C409-V443 HydrophobicContact CB-CG2 4.41Å
410	A	98.8	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146	169.3	0	0	0	0	0	110.8	L373 V376 Y381 V397 Y398 N468	L373-A410 HydrophobicContact CB-CB 4.31Å; L373-A410 PolarHBondContact N-O 2.72Å; L373-A410 PolarHBondContact O-N 2.56Å; V376-A410 HydrophobicContact CG1-CB 4.4Å; V376-A410 HydrophobicContact CG2-CB 4.07Å; Y381-A410 HydrophobicContact CE2-CB 4.39Å; V397-A410 CarbonylContact O-C 3.54Å; V397-A410 WeakPolarHBondContact O-CA 3.27Å; Y398-A410 HydrophobicContact CD2-CB 4.2Å; A410-N468 PolarHBondContact O-ND2 3.44Å
411	V	98.9	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118	165.9	-174.9	0	0	0	0	107.9	L371 V397 V443 L445 V466 N468	L371-V411 CarbonylContact O-C 3.58Å; L371-V411 WeakPolarHBondContact O-CA 3.46Å; V397-V411 PolarHBondContact N-O 3.1Å; V397-V411 PolarHBondContact O-N 3.03Å; V411-V443 HydrophobicContact CB-CG1 4.36Å; V411-V443 HydrophobicContact CG2-CB 3.99Å; V411-V443 HydrophobicContact CG2-CG1 3.9Å; V411-L445 HydrophobicContact CB-CD1 3.83Å; V411-L445 HydrophobicContact CB-CG 4.25Å; V411-L445 HydrophobicContact CG1-CD1 3.45Å; V411-L445 VanDerWaalsContact CG1-CD1 3.45Å; V411-L445 HydrophobicContact CG1-CG 4.07Å; V411-V466 HydrophobicContact CG1-CG1 3.88Å; V411-N468 HydrophobicContact CG2-CB 3.39Å
412	C	98.8	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.2	176.1	-58.7	0	0	0	0	110.4	I370 L371 Y394 I395 C396	I370-C412 CarbonylContact C-O 3.55Å; I370-C412 WeakPolarHBondContact CA-O 3.44Å; L371-C412 HydrophobicContact CB-CB 4.26Å; L371-C412 PolarHBondContact N-O 2.86Å; L371-C412 PolarHBondContact O-N 2.84Å; Y394-C412 HydrophobicContact CD1-CB 3.99Å; Y394-C412 HydrophobicContact CG-CB 4.37Å; I395-C412 CarbonylContact O-C 3.56Å; I395-C412 WeakPolarHBondContact O-CA 3.36Å; C396-C412 HydrophobicContact CB-CB 4.09Å; C396-C412 WeakPolarHBondContact CB-SG 3.44Å; C396-C412 WeakPolarHBondContact SG-CB 3.48Å; C396-C412 CovalentContact SG-SG 2.04Å; C396-C412 PolarHBondContact SG-SG 2.78Å
413	Y	98.8	Very high	97.5	Very high	6 Å²	6	37.7 Å²	37.7	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.9	178.5	58.4	-90.7	0	0	0	111.5	D369 Y394 I395 S415 F418 E420 L445 L447	D369-Y413 CarbonylContact O-C 3.47Å; D369-Y413 WeakPolarHBondContact O-CA 3.5Å; Y394-Y413 WeakPolarHBondContact CA-O 3.28Å; I395-Y413 HydrophobicContact CB-CD2 4.49Å; I395-Y413 HydrophobicContact CB-CE1 4.17Å; I395-Y413 HydrophobicContact CB-CE2 3.84Å; I395-Y413 HydrophobicContact CD1-CE2 3.96Å; I395-Y413 HydrophobicContact CG1-CE2 4.43Å; I395-Y413 HydrophobicContact CG2-CE1 4.09Å; I395-Y413 HydrophobicContact CG2-CE2 4.36Å; I395-Y413 VanDerWaalsContact CG2-OH 3.23Å; I395-Y413 WeakPolarHBondContact CG2-OH 3.24Å; I395-Y413 PolarHBondContact N-O 2.96Å; I395-Y413 PolarHBondContact O-N 3.27Å; Y413-S415 PolarHBondContact O-N 3.17Å; Y413-F418 HydrophobicContact CD2-CB 3.96Å; Y413-F418 WeakPolarHBondContact CE2-O 3.22Å; Y413-E420 HydrophobicContact CE1-CB 4.36Å; Y413-E420 WeakPolarHBondContact CE1-OE2 3.45Å; Y413-E420 HydrophobicContact CE2-CB 4.45Å; Y413-E420 WeakPolarHBondContact OH-CB 3.44Å; Y413-E420 PolarHBondContact OH-OE2 2.85Å; Y413-L445 HydrophobicContact CD1-CD1 3.76Å; Y413-L445 HydrophobicContact CE1-CD1 3.92Å; Y413-L447 HydrophobicContact CD1-CD1 4.37Å; Y413-L447 HydrophobicContact CD1-CD2 3.84Å; Y413-L447 HydrophobicContact CD2-CD2 4.24Å; Y413-L447 HydrophobicContact CE1-CD2 3.97Å; Y413-L447 HydrophobicContact CE2-CD2 4.36Å; Y413-L447 HydrophobicContact CG-CD1 4.11Å; Y413-L447 HydrophobicContact CG-CD2 3.99Å
414	Q	98.2	Very high	97.7	Very high	31 Å²	31	36.9 Å²	36.9	15%	0.145	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	113.7	177.1	-83.8	-66.5	-10.2	0	0	111.1	D369 R392 G393 Y394 S416 R417 F418	D369-Q414 PolarHBondContact O-N 3.32Å; R392-Q414 PolarHBondContact O-NE2 2.82Å; G393-Q414 PolarHBondContact O-OE1 2.94Å; Y394-Q414 HydrophobicContact CD1-CG 4.31Å; Y394-Q414 HydrophobicContact CE1-CG 3.85Å; Y394-Q414 VanDerWaalsContact CE2-NE2 3.3Å; Y394-Q414 VanDerWaalsContact CZ-NE2 3.29Å; Q414-S416 PolarHBondContact O-N 3.32Å; Q414-R417 HydrophobicContact CB-CB 4.17Å; Q414-R417 HydrophobicContact CB-CG 4.1Å; Q414-R417 PolarHBondContact O-N 2.75Å; Q414-F418 PolarHBondContact O-N 3.11Å
415	S	96.8	Very high	97.8	Very high	52 Å²	52	35.6 Å²	35.6	36%	0.364	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.9	-178.3	57.4	0	0	0	0	114.1	G393 Y413 R417	G393-S415 WeakPolarHBondContact O-CB 3.42Å; G393-S415 PolarHBondContact O-N 3.46Å; G393-S415 VanDerWaalsContact O-N 3.07Å; G393-S415 PolarHBondContact O-OG 3.35Å; Y413-S415 PolarHBondContact O-N 3.17Å; S415-R417 PolarHBondContact O-N 2.71Å
416	S	95.3	Very high	97.9	Very high	75 Å²	75	33 Å²	33	52%	0.524	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11	173.3	56.3	0	0	0	0	113.9	Q414	Q414-S416 PolarHBondContact O-N 3.32Å
417	R	95.5	Very high	97.9	Very high	56 Å²	56	34.8 Å²	34.8	21%	0.211	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-23.6	-172.3	-58.1	-159.9	71.4	176	-0.8	114.5	D321 D369 Q414 S415 L450	D321-R417 PolarHBondContact O-NH1 3Å; D321-R417 VanDerWaalsContact O-NH1 3.12Å; D321-R417 PolarHBondContact O-NH2 2.74Å; D369-R417 WeakPolarHBondContact OD1-CD 3.2Å; D369-R417 IonicContact OD1-CZ 3.35Å; D369-R417 IonicContact OD1-NE 3.93Å; D369-R417 IonicContact OD1-NH1 3.64Å; D369-R417 PolarHBondContact OD1-NH1 3.09Å; D369-R417 IonicContact OD2-CZ 3.66Å; D369-R417 IonicContact OD2-NH1 2.87Å; D369-R417 PolarHBondContact OD2-NH1 2.74Å; Q414-R417 HydrophobicContact CB-CB 4.17Å; Q414-R417 HydrophobicContact CB-CG 4.1Å; Q414-R417 PolarHBondContact O-N 2.75Å; S415-R417 PolarHBondContact O-N 2.71Å; R417-L450 PolarHBondContact O-N 3.08Å
418	F	97.2	Very high	97.9	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	134	-179	-63.7	-76	0	0	0	111.5	F322 D369 I370 Y413 Q414 L447 R448 P449 L464	F322-F418 HydrophobicContact CB-CE2 4.33Å; F322-F418 HydrophobicContact CB-CZ 4.01Å; F322-F418 HydrophobicContact CD1-CZ 4.45Å; F322-F418 HydrophobicContact CD2-CE2 4.49Å; F322-F418 AromaticContact CD2-CZ 4Å; F322-F418 HydrophobicContact CD2-CZ 4Å; F322-F418 AromaticContact CG-CZ 3.9Å; F322-F418 HydrophobicContact CG-CZ 3.9Å; D369-F418 HydrophobicContact CB-CE2 4.18Å; I370-F418 HydrophobicContact CD1-CD2 4.28Å; I370-F418 HydrophobicContact CD1-CE1 4.48Å; I370-F418 HydrophobicContact CD1-CE2 3.76Å; I370-F418 HydrophobicContact CD1-CZ 3.88Å; I370-F418 HydrophobicContact CG1-CD2 4.14Å; I370-F418 HydrophobicContact CG1-CE2 3.89Å; Y413-F418 HydrophobicContact CD2-CB 3.96Å; Y413-F418 WeakPolarHBondContact CE2-O 3.22Å; Q414-F418 PolarHBondContact O-N 3.11Å; F418-L447 HydrophobicContact CB-CB 4.26Å; F418-L447 HydrophobicContact CB-CD1 4.12Å; F418-L447 HydrophobicContact CD1-CB 4.03Å; F418-L447 HydrophobicContact CD1-CD1 4.37Å; F418-L447 HydrophobicContact CG-CB 4.4Å; F418-L447 HydrophobicContact CG-CD1 4.12Å; F418-R448 VanDerWaalsContact CA-O 3.28Å; F418-R448 WeakPolarHBondContact CA-O 3.42Å; F418-P449 HydrophobicContact CD1-CB 4.49Å; F418-P449 HydrophobicContact CE1-CB 4.27Å; F418-L464 HydrophobicContact CE1-CD2 4.18Å; F418-L464 HydrophobicContact CZ-CD2 4.41Å
419	A	96.9	Very high	97.8	Very high	32 Å²	32	38 Å²	38	26%	0.264	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	149.8	163.6	0	0	0	0	0	110.2	L447 R448 L450	A419-L447 CarbonylContact O-C 3.58Å; A419-L447 WeakPolarHBondContact O-CA 3.45Å; A419-R448 HydrophobicContact CB-CB 4.32Å; A419-R448 PolarHBondContact N-O 2.91Å; A419-R448 PolarHBondContact O-N 2.89Å; A419-L450 HydrophobicContact CB-CD1 4.15Å; A419-L450 HydrophobicContact CB-CD2 3.95Å; A419-L450 HydrophobicContact CB-CG 4.26Å
420	E	97.4	Very high	97.6	Very high	85 Å²	85	42.8 Å²	42.8	40%	0.397	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.1	178.7	172.3	-175.3	119.6	0	0	110.9	Y413 V423 L447	Y413-E420 HydrophobicContact CE1-CB 4.36Å; Y413-E420 WeakPolarHBondContact CE1-OE2 3.45Å; Y413-E420 HydrophobicContact CE2-CB 4.45Å; Y413-E420 WeakPolarHBondContact OH-CB 3.44Å; Y413-E420 PolarHBondContact OH-OE2 2.85Å; E420-V423 HydrophobicContact CG-CG2 3.67Å; E420-V423 WeakPolarHBondContact OE1-CG2 3.39Å; E420-L447 HydrophobicContact CB-CD2 4.31Å
421	A	97.1	Very high	97.2	Very high	49 Å²	49	46.1 Å²	46.1	41%	0.405	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-19.4	-179.1	0	0	0	0	0	113.5	L446 R448	A421-L446 HydrophobicContact CB-CD2 4.31Å; A421-L446 HydrophobicContact CB-CG 4.33Å; A421-L446 PolarHBondContact N-O 2.93Å; A421-R448 HydrophobicContact CB-CG 4Å
422	A	98	Very high	96.7	Very high	42 Å²	42	52.1 Å²	52.1	35%	0.347	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	153.4	170.8	0	0	0	0	0	111.5	L445 L446	A422-L445 WeakPolarHBondContact O-CA 2.99Å; A422-L446 HydrophobicContact CB-CB 3.92Å; A422-L446 PolarHBondContact N-O 3.16Å; A422-L446 PolarHBondContact O-N 2.8Å
423	V	98.4	Very high	96.2	Very high	53 Å²	53	53 Å²	53	32%	0.321	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.8	175.4	-178.3	0	0	0	0	109.9	V397 E420 K425 L445	V397-V423 HydrophobicContact CG1-CG1 3.73Å; V397-V423 HydrophobicContact CG2-CG2 4.42Å; E420-V423 HydrophobicContact CG-CG2 3.67Å; E420-V423 WeakPolarHBondContact OE1-CG2 3.39Å; V423-K425 HydrophobicContact CG1-CG 4.14Å; V423-L445 HydrophobicContact CB-CD2 4.26Å; V423-L445 HydrophobicContact CG1-CD2 3.86Å; V423-L445 HydrophobicContact CG2-CD2 3.89Å
424	S	98.5	Very high	95.8	Very high	31 Å²	31	55.6 Å²	55.6	22%	0.217	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.6	170.7	-64.4	0	0	0	0	109.3	V444 E491	S424-V444 PolarHBondContact N-O 2.88Å; S424-V444 PolarHBondContact O-N 3.28Å; S424-E491 WeakPolarHBondContact CB-OE1 3.41Å; S424-E491 PolarHBondContact OG-OE1 3.22Å
425	K	98.6	Very high	95.5	Very high	107 Å²	107	55.1 Å²	55.1	47%	0.465	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125	170.6	-54.1	-168.8	-171.4	-170.3	0	108.4	Y398 Q399 V423	Y398-K425 WeakPolarHBondContact O-CE 3.25Å; Y398-K425 PolarHBondContact O-NZ 3.15Å; Q399-K425 HydrophobicContact CB-CB 4.47Å; Q399-K425 HydrophobicContact CB-CD 4.21Å; Q399-K425 HydrophobicContact CG-CB 4.29Å; V423-K425 HydrophobicContact CG1-CG 4.14Å
426	L	98.4	Very high	95.5	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.7	-167.6	-62.8	173.1	0	0	0	111.2	F428 V441 G442 V444 I487 M488 E491	L426-F428 HydrophobicContact CB-CD1 4.43Å; L426-F428 HydrophobicContact CB-CE1 3.87Å; L426-V441 CarbonylContact O-C 3.28Å; L426-V441 WeakPolarHBondContact O-CA 3.22Å; L426-V441 VanDerWaalsContact O-CB 3.32Å; L426-V441 WeakPolarHBondContact O-CB 3.47Å; L426-G442 PolarHBondContact N-O 3.29Å; L426-G442 PolarHBondContact O-N 2.95Å; L426-V444 HydrophobicContact CD1-CG2 3.9Å; L426-I487 HydrophobicContact CD1-CG2 4.45Å; L426-M488 HydrophobicContact CD1-CE 4.35Å; L426-M488 HydrophobicContact CD1-SD 3.55Å; L426-M488 VanDerWaalsContact CD1-SD 3.55Å; L426-E491 HydrophobicContact CD1-CB 3.79Å; L426-E491 HydrophobicContact CD1-CG 3.99Å; L426-E491 HydrophobicContact CD2-CB 4.27Å; L426-E491 HydrophobicContact CD2-CG 4.08Å; L426-E491 HydrophobicContact CG-CG 4.45Å
427	E	98.1	Very high	95.4	Very high	90 Å²	90	51.5 Å²	51.5	42%	0.421	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.6	171.1	-60.6	-174.6	167.6	0	0	109.9	T402 R430 V441	T402-E427 HydrophobicContact CG2-CB 4.15Å; T402-E427 HydrophobicContact CG2-CG 3.67Å; T402-E427 WeakPolarHBondContact CG2-OE1 3.4Å; E427-R430 PolarHBondContact O-NH2 2.88Å; E427-V441 HydrophobicContact CG-CG1 4.49Å
428	F	98.1	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.29	C	S	.	.			trans	-83.6	-14	-178.9	-48.2	-34.8	0	0	0	113.4	L426 R430 L436 N440 V441 L471 Q484 I487 M488	L426-F428 HydrophobicContact CB-CD1 4.43Å; L426-F428 HydrophobicContact CB-CE1 3.87Å; F428-R430 PolarHBondContact O-N 2.88Å; F428-L436 HydrophobicContact CB-CD2 4.47Å; F428-L436 WeakPolarHBondContact O-CB 3.27Å; F428-N440 WeakPolarHBondContact CB-O 3.49Å; F428-N440 HydrophobicContact CD2-CB 3.69Å; F428-N440 VanDerWaalsContact CD2-O 3.24Å; F428-N440 WeakPolarHBondContact CD2-O 3.42Å; F428-N440 HydrophobicContact CE2-CB 4.15Å; F428-N440 WeakPolarHBondContact CG-O 3.46Å; F428-N440 PolarHBondContact N-O 3.08Å; F428-V441 VanDerWaalsContact CE2-C 3.5Å; F428-V441 VanDerWaalsContact CZ-C 3.48Å; F428-L471 HydrophobicContact CE2-CD2 4.42Å; F428-Q484 HydrophobicContact CB-CG 3.9Å; F428-Q484 HydrophobicContact CD2-CB 3.77Å; F428-Q484 HydrophobicContact CD2-CG 3.58Å; F428-Q484 HydrophobicContact CE2-CB 4.11Å; F428-Q484 HydrophobicContact CE2-CG 4.38Å; F428-Q484 HydrophobicContact CG-CB 4.2Å; F428-Q484 HydrophobicContact CG-CG 3.93Å; F428-I487 HydrophobicContact CB-CD1 4.07Å; F428-I487 HydrophobicContact CD1-CB 4.04Å; F428-I487 HydrophobicContact CD1-CD1 3.9Å; F428-I487 HydrophobicContact CD1-CG2 3.81Å; F428-I487 HydrophobicContact CE1-CB 4.23Å; F428-I487 HydrophobicContact CE1-CG2 3.94Å; F428-I487 HydrophobicContact CG-CD1 4.29Å; F428-M488 HydrophobicContact CE1-CG 4.13Å; F428-M488 HydrophobicContact CE1-SD 3.81Å; F428-M488 HydrophobicContact CZ-CG 3.79Å; F428-M488 HydrophobicContact CZ-SD 3.56Å; F428-M488 VanDerWaalsContact CZ-SD 3.56Å
429	F	97.4	Very high	95.5	Very high	70 Å²	70	55.2 Å²	55.2	31%	0.307	30%	0.302	S	S	.	.			trans	-66.1	112.7	-179.3	-177	-113.1	0	0	0	111	P431 H439	F429-P431 HydrophobicContact CD1-CG 4.3Å; F429-P431 HydrophobicContact CE1-CB 4.4Å; F429-P431 HydrophobicContact CE1-CG 3.67Å; F429-P431 HydrophobicContact CE2-CB 4.33Å; F429-P431 HydrophobicContact CE2-CG 4.4Å; F429-P431 HydrophobicContact CZ-CB 3.96Å; F429-P431 HydrophobicContact CZ-CG 3.73Å; F429-H439 AromaticContact CD1-CE1 3.87Å; F429-H439 AromaticContact CD1-ND1 3.97Å; F429-H439 AromaticContact CD2-CE1 3.56Å; F429-H439 AromaticContact CD2-ND1 3.63Å; F429-H439 AromaticContact CE1-CE1 3.79Å; F429-H439 AromaticContact CE2-CE1 3.48Å; F429-H439 VanDerWaalsContact CE2-CE1 3.48Å; F429-H439 WeakPolarHBondContact CE2-CE1 3.44Å; F429-H439 AromaticContact CG-CE1 3.76Å; F429-H439 AromaticContact CG-ND1 3.59Å; F429-H439 AromaticContact CZ-CE1 3.6Å
430	R	94.9	Very high	95.6	Very high	102 Å²	102	53.7 Å²	53.7	39%	0.385	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-137.5	69.7	-179.5	-56.9	-66.9	164.7	174.3	-6	109.6	E427 F428 E432 T433 L436 L565	E427-R430 PolarHBondContact O-NH2 2.88Å; F428-R430 PolarHBondContact O-N 2.88Å; R430-E432 VanDerWaalsContact CA-OE2 3.26Å; R430-E432 WeakPolarHBondContact CA-OE2 3.26Å; R430-E432 VanDerWaalsContact CD-OE1 3.29Å; R430-E432 WeakPolarHBondContact CD-OE1 3.41Å; R430-E432 PolarHBondContact O-N 2.85Å; R430-E432 VanDerWaalsContact O-N 3.13Å; R430-T433 HydrophobicContact CB-CG2 3.85Å; R430-T433 WeakPolarHBondContact O-CB 3.39Å; R430-T433 PolarHBondContact O-N 3.11Å; R430-T433 PolarHBondContact O-OG1 2.84Å; R430-L436 HydrophobicContact CB-CB 3.92Å; R430-L436 HydrophobicContact CB-CD1 4.13Å; R430-L436 HydrophobicContact CG-CD1 4.12Å; R430-L436 PolarHBondContact N-O 3.14Å; R430-L565 HydrophobicContact CG-CD1 4.26Å
431	P	89.6	Confident	95.7	Very high	71 Å²	71	49.7 Å²	49.7	46%	0.461	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-58	-26.5	-175.3	25.7	-36.2	0	0	0	113.1	F429 T433 G434	F429-P431 HydrophobicContact CD1-CG 4.3Å; F429-P431 HydrophobicContact CE1-CB 4.4Å; F429-P431 HydrophobicContact CE1-CG 3.67Å; F429-P431 HydrophobicContact CE2-CB 4.33Å; F429-P431 HydrophobicContact CE2-CG 4.4Å; F429-P431 HydrophobicContact CZ-CB 3.96Å; F429-P431 HydrophobicContact CZ-CG 3.73Å; P431-T433 PolarHBondContact O-N 2.99Å; P431-T433 VanDerWaalsContact O-N 3.12Å; P431-G434 PolarHBondContact O-N 3.1Å
432	E	89.1	Confident	95.7	Very high	125 Å²	125	47.4 Å²	47.4	58%	0.584	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-60	-16.5	172.8	70.8	-82.4	-165.3	0	0	114.3	R430	R430-E432 VanDerWaalsContact CA-OE2 3.26Å; R430-E432 WeakPolarHBondContact CA-OE2 3.26Å; R430-E432 VanDerWaalsContact CD-OE1 3.29Å; R430-E432 WeakPolarHBondContact CD-OE1 3.41Å; R430-E432 PolarHBondContact O-N 2.85Å; R430-E432 VanDerWaalsContact O-N 3.13Å
433	T	88.3	Confident	95.8	Very high	20 Å²	20	45.4 Å²	45.4	12%	0.123	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-89.7	-16.5	174.5	67.7	0	0	0	0	113.5	R430 P431 L435 L436 P562 L565	R430-T433 HydrophobicContact CB-CG2 3.85Å; R430-T433 WeakPolarHBondContact O-CB 3.39Å; R430-T433 PolarHBondContact O-N 3.11Å; R430-T433 PolarHBondContact O-OG1 2.84Å; P431-T433 PolarHBondContact O-N 2.99Å; P431-T433 VanDerWaalsContact O-N 3.12Å; T433-L435 PolarHBondContact O-N 2.88Å; T433-L435 PolarHBondContact OG1-N 3.02Å; T433-L436 PolarHBondContact OG1-N 3.14Å; T433-P562 HydrophobicContact CG2-CG 3.99Å; T433-L565 HydrophobicContact CG2-CB 4.48Å
434	G	89.5	Confident	95.8	Very high	60 Å²	60	42.9 Å²	42.9	62%	0.619	22%	0.22	S	C	*	.	S	Bend	trans	66.3	-19	-169.4	0	0	0	0	0	115.7	P431	P431-G434 PolarHBondContact O-N 3.1Å
435	L	93.4	Very high	95.8	Very high	20 Å²	20	41.4 Å²	41.4	11%	0.105	21%	0.209	C	C	.	.	S	Bend	trans	-86.2	-50.3	179.5	172.8	62.5	0	0	0	112	T433 D437 R477 D479 V480 A483 L560 W561	T433-L435 PolarHBondContact O-N 2.88Å; T433-L435 PolarHBondContact OG1-N 3.02Å; L435-D437 VanDerWaalsContact C-N 3.25Å; L435-D437 PolarHBondContact O-N 3.42Å; L435-R477 PolarHBondContact O-NH2 2.91Å; L435-R477 VanDerWaalsContact O-NH2 3.1Å; L435-D479 HydrophobicContact CD1-CB 3.81Å; L435-D479 WeakPolarHBondContact CD1-OD2 3.43Å; L435-V480 HydrophobicContact CD1-CG2 4.22Å; L435-V480 WeakPolarHBondContact O-CG2 3.16Å; L435-A483 HydrophobicContact CD2-CB 3.81Å; L435-A483 HydrophobicContact CG-CB 4.45Å; L435-L560 WeakPolarHBondContact CD2-O 3.37Å; L435-W561 HydrophobicContact CD2-CB 3.73Å
436	L	95.9	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-88.6	58.1	-170.9	-79.1	164.1	0	0	0	111.7	F428 R430 T433 R438 V480 A483 Q484 I487 L565	F428-L436 HydrophobicContact CB-CD2 4.47Å; F428-L436 WeakPolarHBondContact O-CB 3.27Å; R430-L436 HydrophobicContact CB-CB 3.92Å; R430-L436 HydrophobicContact CB-CD1 4.13Å; R430-L436 HydrophobicContact CG-CD1 4.12Å; R430-L436 PolarHBondContact N-O 3.14Å; T433-L436 PolarHBondContact OG1-N 3.14Å; L436-R438 PolarHBondContact O-N 2.96Å; L436-V480 HydrophobicContact CD2-CG1 4.23Å; L436-A483 HydrophobicContact CD1-CB 4.39Å; L436-A483 HydrophobicContact CD2-CB 3.84Å; L436-A483 HydrophobicContact CG-CB 4.15Å; L436-Q484 HydrophobicContact CD2-CG 3.92Å; L436-I487 HydrophobicContact CD1-CD1 3.95Å; L436-I487 HydrophobicContact CD2-CD1 4.34Å; L436-L565 HydrophobicContact CD1-CD1 3.5Å; L436-L565 VanDerWaalsContact CD1-CD1 3.5Å; L436-L565 HydrophobicContact CD1-CD2 3.86Å; L436-L565 HydrophobicContact CD1-CG 4.33Å
437	D	93.9	Very high	95.8	Very high	52 Å²	52	35.9 Å²	35.9	28%	0.278	19%	0.185	S	C	.	.			trans	-83.7	24.1	-176.7	67.4	-30.7	0	0	0	113.6	L435 R477	L435-D437 VanDerWaalsContact C-N 3.25Å; L435-D437 PolarHBondContact O-N 3.42Å; D437-R477 IonicContact OD1-CZ 2.71Å; D437-R477 IonicContact OD1-NH1 3.84Å; D437-R477 PolarHBondContact OD1-NH1 3.31Å; D437-R477 IonicContact OD1-NH2 3.59Å; D437-R477 IonicContact OD2-NH1 2.78Å; D437-R477 PolarHBondContact OD2-NH1 3.35Å
438	R	96.9	Very high	95.7	Very high	83 Å²	83	33.2 Å²	33.2	31%	0.313	17%	0.171	S	C	.	.			trans	-135.3	136.6	-170.5	-63	-68.3	176.7	-86.8	-12.5	113.9	L436 N440 L472 V480	L436-R438 PolarHBondContact O-N 2.96Å; R438-N440 PolarHBondContact O-N 2.96Å; R438-N440 VanDerWaalsContact O-N 3.13Å; R438-L472 HydrophobicContact CB-CD1 4.22Å; R438-L472 HydrophobicContact CG-CD1 3.79Å; R438-L472 HydrophobicContact CG-CD2 3.95Å; R438-L472 HydrophobicContact CG-CG 4.45Å; R438-V480 HydrophobicContact CB-CG1 4.46Å; R438-V480 HydrophobicContact CG-CG1 4.43Å
439	H	97.6	Very high	95.6	Very high	51 Å²	51	33.2 Å²	33.2	24%	0.236	17%	0.171	C	C	.	.			trans	-79.5	20.4	-172.8	-61.8	-62.7	0	0	0	116	R401 T402 F429	R401-H439 WeakPolarHBondContact CA-O 3.49Å; R401-H439 WeakPolarHBondContact CB-O 3.2Å; R401-H439 WeakPolarHBondContact CG-O 3.2Å; T402-H439 PolarHBondContact N-O 3.3Å; T402-H439 WeakPolarHBondContact O-CB 3.32Å; T402-H439 VanDerWaalsContact O-CG 3.23Å; T402-H439 WeakPolarHBondContact OG1-CA 3.29Å; T402-H439 WeakPolarHBondContact OG1-CB 3.3Å; T402-H439 PolarHBondContact OG1-ND1 3.15Å; F429-H439 AromaticContact CD1-CE1 3.87Å; F429-H439 AromaticContact CD1-ND1 3.97Å; F429-H439 AromaticContact CD2-CE1 3.56Å; F429-H439 AromaticContact CD2-ND1 3.63Å; F429-H439 AromaticContact CE1-CE1 3.79Å; F429-H439 AromaticContact CE2-CE1 3.48Å; F429-H439 VanDerWaalsContact CE2-CE1 3.48Å; F429-H439 WeakPolarHBondContact CE2-CE1 3.44Å; F429-H439 AromaticContact CG-CE1 3.76Å; F429-H439 AromaticContact CG-ND1 3.59Å; F429-H439 AromaticContact CZ-CE1 3.6Å
440	N	98.7	Very high	95.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.			trans	-66	154.4	173.6	-66	88.2	0	0	0	110.8	F428 R438 H470 L471 Q484	F428-N440 WeakPolarHBondContact CB-O 3.49Å; F428-N440 HydrophobicContact CD2-CB 3.69Å; F428-N440 VanDerWaalsContact CD2-O 3.24Å; F428-N440 WeakPolarHBondContact CD2-O 3.42Å; F428-N440 HydrophobicContact CE2-CB 4.15Å; F428-N440 WeakPolarHBondContact CG-O 3.46Å; F428-N440 PolarHBondContact N-O 3.08Å; R438-N440 PolarHBondContact O-N 2.96Å; R438-N440 VanDerWaalsContact O-N 3.13Å; N440-H470 WeakPolarHBondContact CB-O 3.32Å; N440-H470 PolarHBondContact ND2-O 2.84Å; N440-L471 VanDerWaalsContact ND2-C 3.29Å; N440-L471 PolarHBondContact ND2-O 3.35Å; N440-L471 VanDerWaalsContact ND2-O 3.12Å; N440-Q484 PolarHBondContact OD1-NE2 3.29Å
441	V	98.7	Very high	94.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.9	-174.3	-66.2	0	0	0	0	111.1	Q399 R401 T402 L426 E427 F428 T469	Q399-V441 HydrophobicContact CG-CB 3.94Å; Q399-V441 HydrophobicContact CG-CG1 4.2Å; Q399-V441 HydrophobicContact CG-CG2 4.04Å; R401-V441 HydrophobicContact CG-CG2 3.83Å; T402-V441 HydrophobicContact CG2-CG1 4.5Å; L426-V441 CarbonylContact O-C 3.28Å; L426-V441 WeakPolarHBondContact O-CA 3.22Å; L426-V441 VanDerWaalsContact O-CB 3.32Å; L426-V441 WeakPolarHBondContact O-CB 3.47Å; E427-V441 HydrophobicContact CG-CG1 4.49Å; F428-V441 VanDerWaalsContact CE2-C 3.5Å; F428-V441 VanDerWaalsContact CZ-C 3.48Å; V441-T469 PolarHBondContact O-OG1 2.89Å
442	G	98.7	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	168.1	170.2	0	0	0	0	0	112.5	L426 N468	L426-G442 PolarHBondContact N-O 3.29Å; L426-G442 PolarHBondContact O-N 2.95Å; G442-N468 CarbonylContact C-O 3.56Å; G442-N468 VanDerWaalsContact CA-O 3.22Å; G442-N468 WeakPolarHBondContact CA-O 3.29Å
443	V	98.9	Very high	93.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.2	174.9	179	0	0	0	0	107.8	V397 Q399 C409 V411 L445 A467 N468	V397-V443 HydrophobicContact CG1-CG1 4Å; Q399-V443 HydrophobicContact CB-CG2 3.72Å; C409-V443 HydrophobicContact CB-CG2 4.41Å; V411-V443 HydrophobicContact CB-CG1 4.36Å; V411-V443 HydrophobicContact CG2-CB 3.99Å; V411-V443 HydrophobicContact CG2-CG1 3.9Å; V443-L445 HydrophobicContact CG1-CD2 3.77Å; V443-L445 HydrophobicContact CG1-CG 4.26Å; V443-A467 CarbonylContact O-C 3.56Å; V443-A467 WeakPolarHBondContact O-CA 3.21Å; V443-N468 PolarHBondContact N-O 3.14Å; V443-N468 PolarHBondContact O-N 3.03Å
444	V	98.9	Very high	93	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.3	171.4	-175.8	0	0	0	0	108.3	S424 L426 C465 V466 A467 M488 E491 I492 V495	S424-V444 PolarHBondContact N-O 2.88Å; S424-V444 PolarHBondContact O-N 3.28Å; L426-V444 HydrophobicContact CD1-CG2 3.9Å; V444-C465 VanDerWaalsContact CG1-SG 3.55Å; V444-V466 CarbonylContact C-O 3.58Å; V444-V466 WeakPolarHBondContact CA-O 3.42Å; V444-A467 HydrophobicContact CG2-CB 4.06Å; V444-M488 HydrophobicContact CG2-CE 3.79Å; V444-E491 HydrophobicContact CB-CG 4.05Å; V444-E491 HydrophobicContact CG1-CG 4.37Å; V444-E491 HydrophobicContact CG2-CB 4.24Å; V444-E491 HydrophobicContact CG2-CG 3.89Å; V444-I492 HydrophobicContact CG2-CG1 4.45Å; V444-V495 HydrophobicContact CG1-CG2 4.21Å
445	L	98.6	Very high	92	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.9	173.7	-51.3	-172.3	0	0	0	109.8	V397 V411 Y413 A422 V423 V443 L447 C465 V466	V397-L445 HydrophobicContact CB-CD2 3.99Å; V397-L445 HydrophobicContact CG1-CD2 4.1Å; V397-L445 HydrophobicContact CG2-CD1 4.36Å; V397-L445 HydrophobicContact CG2-CD2 3.81Å; V411-L445 HydrophobicContact CB-CD1 3.83Å; V411-L445 HydrophobicContact CB-CG 4.25Å; V411-L445 HydrophobicContact CG1-CD1 3.45Å; V411-L445 VanDerWaalsContact CG1-CD1 3.45Å; V411-L445 HydrophobicContact CG1-CG 4.07Å; Y413-L445 HydrophobicContact CD1-CD1 3.76Å; Y413-L445 HydrophobicContact CE1-CD1 3.92Å; A422-L445 WeakPolarHBondContact O-CA 2.99Å; V423-L445 HydrophobicContact CB-CD2 4.26Å; V423-L445 HydrophobicContact CG1-CD2 3.86Å; V423-L445 HydrophobicContact CG2-CD2 3.89Å; V443-L445 HydrophobicContact CG1-CD2 3.77Å; V443-L445 HydrophobicContact CG1-CG 4.26Å; L445-L447 HydrophobicContact CB-CD2 4.2Å; L445-L447 HydrophobicContact CB-CG 4.31Å; L445-L447 HydrophobicContact CD1-CD2 4.27Å; L445-C465 CarbonylContact O-C 3.51Å; L445-C465 WeakPolarHBondContact O-CA 3.47Å; L445-V466 HydrophobicContact CB-CB 4.49Å; L445-V466 PolarHBondContact N-O 2.96Å; L445-V466 PolarHBondContact O-N 3.12Å
446	L	98.7	Very high	91.4	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.3	162.1	-176.1	62.2	0	0	0	108.9	A421 A422 P463 V495	A421-L446 HydrophobicContact CB-CD2 4.31Å; A421-L446 HydrophobicContact CB-CG 4.33Å; A421-L446 PolarHBondContact N-O 2.93Å; A422-L446 HydrophobicContact CB-CB 3.92Å; A422-L446 PolarHBondContact N-O 3.16Å; A422-L446 PolarHBondContact O-N 2.8Å; L446-P463 HydrophobicContact CD1-CB 3.59Å; L446-P463 HydrophobicContact CG-CB 4.33Å; L446-V495 HydrophobicContact CB-CG1 4.21Å; L446-V495 HydrophobicContact CD1-CG1 3.76Å; L446-V495 HydrophobicContact CD2-CG1 4.32Å; L446-V495 HydrophobicContact CG-CG1 4.32Å
447	L	98.3	Very high	90.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	143.9	-180	-59.5	-176.5	0	0	0	111.7	I370 Y413 F418 A419 E420 L445 P463 L464 V466	I370-L447 HydrophobicContact CD1-CD1 4.07Å; I370-L447 HydrophobicContact CG1-CD1 4.21Å; Y413-L447 HydrophobicContact CD1-CD1 4.37Å; Y413-L447 HydrophobicContact CD1-CD2 3.84Å; Y413-L447 HydrophobicContact CD2-CD2 4.24Å; Y413-L447 HydrophobicContact CE1-CD2 3.97Å; Y413-L447 HydrophobicContact CE2-CD2 4.36Å; Y413-L447 HydrophobicContact CG-CD1 4.11Å; Y413-L447 HydrophobicContact CG-CD2 3.99Å; F418-L447 HydrophobicContact CB-CB 4.26Å; F418-L447 HydrophobicContact CB-CD1 4.12Å; F418-L447 HydrophobicContact CD1-CB 4.03Å; F418-L447 HydrophobicContact CD1-CD1 4.37Å; F418-L447 HydrophobicContact CG-CB 4.4Å; F418-L447 HydrophobicContact CG-CD1 4.12Å; A419-L447 CarbonylContact O-C 3.58Å; A419-L447 WeakPolarHBondContact O-CA 3.45Å; E420-L447 HydrophobicContact CB-CD2 4.31Å; L445-L447 HydrophobicContact CB-CD2 4.2Å; L445-L447 HydrophobicContact CB-CG 4.31Å; L445-L447 HydrophobicContact CD1-CD2 4.27Å; L447-P463 WeakPolarHBondContact O-CA 3.41Å; L447-L464 PolarHBondContact N-O 3.14Å; L447-L464 PolarHBondContact O-N 2.84Å; L447-V466 HydrophobicContact CD1-CG2 3.8Å; L447-V466 HydrophobicContact CG-CG2 4.3Å
448	R	96.1	Very high	90.3	Very high	35 Å²	35	49 Å²	49	13%	0.132	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.4	171.9	-73.8	-72.6	-156.9	-174.2	-4.5	108.9	F418 A419 A421 E459 P463 E504	F418-R448 VanDerWaalsContact CA-O 3.28Å; F418-R448 WeakPolarHBondContact CA-O 3.42Å; A419-R448 HydrophobicContact CB-CB 4.32Å; A419-R448 PolarHBondContact N-O 2.91Å; A419-R448 PolarHBondContact O-N 2.89Å; A421-R448 HydrophobicContact CB-CG 4Å; R448-E459 HydrophobicContact CB-CG 3.96Å; R448-E459 WeakPolarHBondContact CD-OE2 3.42Å; R448-E459 VanDerWaalsContact CG-CD 3.5Å; R448-E459 HydrophobicContact CG-CG 4.31Å; R448-E459 WeakPolarHBondContact CG-OE1 3.5Å; R448-E459 WeakPolarHBondContact CG-OE2 3.28Å; R448-E459 IonicContact CZ-OE2 2.61Å; R448-E459 IonicContact NE-OE2 3.38Å; R448-E459 PolarHBondContact NE-OE2 3.27Å; R448-P463 VanDerWaalsContact NH1-CG 3.35Å; R448-E504 IonicContact CZ-OE1 3.95Å; R448-E504 IonicContact NH1-OE1 3.57Å; R448-E504 PolarHBondContact NH1-OE1 3.46Å; R448-E504 IonicContact NH1-OE2 3.66Å; R448-E504 IonicContact NH2-OE1 2.72Å; R448-E504 PolarHBondContact NH2-OE1 3.49Å; R448-E504 IonicContact NH2-OE2 2.64Å
449	P	94.9	Very high	89.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	136.5	175.7	-9.6	23.6	0	0	0	110.3	L320 F418 E459 A460 L736	L320-P449 HydrophobicContact CD2-CB 3.66Å; F418-P449 HydrophobicContact CD1-CB 4.49Å; F418-P449 HydrophobicContact CE1-CB 4.27Å; P449-E459 CarbonylContact O-C 3.44Å; P449-E459 WeakPolarHBondContact O-CA 3.38Å; P449-A460 WeakPolarHBondContact CB-O 3.41Å; P449-A460 WeakPolarHBondContact CG-O 3.49Å; P449-A460 PolarHBondContact O-N 2.83Å; P449-L736 HydrophobicContact CB-CD2 4.11Å; P449-L736 HydrophobicContact CG-CD2 3.46Å; P449-L736 VanDerWaalsContact CG-CD2 3.46Å
450	L	93.1	Very high	89.1	Confident	24 Å²	24	48.9 Å²	48.9	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.2	178.5	-60.6	178.9	0	0	0	111	R417 A419 V457 K458 E459	R417-L450 PolarHBondContact O-N 3.08Å; A419-L450 HydrophobicContact CB-CD1 4.15Å; A419-L450 HydrophobicContact CB-CD2 3.95Å; A419-L450 HydrophobicContact CB-CG 4.26Å; L450-V457 HydrophobicContact CB-CG1 4.21Å; L450-V457 HydrophobicContact CD1-CG1 4.27Å; L450-V457 HydrophobicContact CD2-CG1 4.34Å; L450-K458 WeakPolarHBondContact CA-O 3.49Å; L450-E459 HydrophobicContact CD2-CG 4.14Å
451	V	86.1	Confident	88.5	Confident	47 Å²	47	49.8 Å²	49.8	29%	0.285	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.9	169.3	173.7	0	0	0	0	108.6	T453 K458 A460 L738	V451-T453 HydrophobicContact CG1-CG2 4.42Å; V451-K458 PolarHBondContact N-O 2.82Å; V451-K458 PolarHBondContact O-N 2.66Å; V451-A460 HydrophobicContact CB-CB 4.15Å; V451-A460 HydrophobicContact CG2-CB 3.68Å; V451-L738 HydrophobicContact CG2-CD1 3.73Å
452	T	81	Confident	88.2	Confident	100 Å²	100	50.4 Å²	50.4	61%	0.613	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.4	172.3	-57.4	0	0	0	0	109	V457	T452-V457 HydrophobicContact CG2-CG2 4.19Å
453	T	73.9	Confident	88	Confident	72 Å²	72	50.4 Å²	50.4	44%	0.442	28%	0.281	S	S	.	.			trans	-104.9	166.2	166.4	59.8	0	0	0	0	109.5	V451 A455 E456	V451-T453 HydrophobicContact CG1-CG2 4.42Å; T453-A455 PolarHBondContact O-N 3.48Å; T453-E456 PolarHBondContact N-O 3.13Å; T453-E456 PolarHBondContact O-N 3.32Å; T453-E456 PolarHBondContact OG1-O 2.74Å
454	E	70.3	Confident	88	Confident	211 Å²	211	50.4 Å²	50.4	99%	0.986	28%	0.281	S	S	*	.	S	Bend	trans	-58.6	-8.8	-167.5	-61.1	-175.9	158.3	0	0	116.3
455	A	68.9	Low	88	Confident	96 Å²	96	50.4 Å²	50.4	79%	0.793	28%	0.281	S	S	*	.	S	Bend	trans	-130.9	-18.6	173	0	0	0	0	0	115	T453	T453-A455 PolarHBondContact O-N 3.48Å
456	E	80.4	Confident	88	Confident	105 Å²	105	50.4 Å²	50.4	49%	0.491	28%	0.281	S	S	.	.			trans	-146.7	137.3	-169.4	-64.4	-178.2	132.3	0	0	112.4	T453 K458	T453-E456 PolarHBondContact N-O 3.13Å; T453-E456 PolarHBondContact O-N 3.32Å; T453-E456 PolarHBondContact OG1-O 2.74Å; E456-K458 WeakPolarHBondContact OE2-CE 3.45Å; E456-K458 IonicContact OE2-NZ 2.67Å; E456-K458 PolarHBondContact OE2-NZ 3.45Å
457	V	81.8	Confident	88	Confident	88 Å²	88	50.1 Å²	50.1	53%	0.533	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.6	165.3	-178.4	0	0	0	0	108.4	L450 T452	L450-V457 HydrophobicContact CB-CG1 4.21Å; L450-V457 HydrophobicContact CD1-CG1 4.27Å; L450-V457 HydrophobicContact CD2-CG1 4.34Å; T452-V457 HydrophobicContact CG2-CG2 4.19Å
458	K	85.6	Confident	88	Confident	109 Å²	109	50.1 Å²	50.1	47%	0.474	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.6	-179.1	-71.8	176.8	178.8	162.9	0	111.8	L450 V451 E456	L450-K458 WeakPolarHBondContact CA-O 3.49Å; V451-K458 PolarHBondContact N-O 2.82Å; V451-K458 PolarHBondContact O-N 2.66Å; E456-K458 WeakPolarHBondContact OE2-CE 3.45Å; E456-K458 IonicContact OE2-NZ 2.67Å; E456-K458 PolarHBondContact OE2-NZ 3.45Å
459	E	87.2	Confident	88.2	Confident	109 Å²	109	48.4 Å²	48.4	51%	0.509	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	135.6	161.9	-61.8	-172.7	178.4	0	0	109.1	R448 P449 L450	R448-E459 HydrophobicContact CB-CG 3.96Å; R448-E459 WeakPolarHBondContact CD-OE2 3.42Å; R448-E459 VanDerWaalsContact CG-CD 3.5Å; R448-E459 HydrophobicContact CG-CG 4.31Å; R448-E459 WeakPolarHBondContact CG-OE1 3.5Å; R448-E459 WeakPolarHBondContact CG-OE2 3.28Å; R448-E459 IonicContact CZ-OE2 2.61Å; R448-E459 IonicContact NE-OE2 3.38Å; R448-E459 PolarHBondContact NE-OE2 3.27Å; P449-E459 CarbonylContact O-C 3.44Å; P449-E459 WeakPolarHBondContact O-CA 3.38Å; L450-E459 HydrophobicContact CD2-CG 4.14Å
460	A	83.1	Confident	88.4	Confident	22 Å²	22	48.9 Å²	48.9	18%	0.182	28%	0.275	C	S	.	.			trans	-138.3	137.2	179.6	0	0	0	0	0	111.2	P449 V451 L738	P449-A460 WeakPolarHBondContact CB-O 3.41Å; P449-A460 WeakPolarHBondContact CG-O 3.49Å; P449-A460 PolarHBondContact O-N 2.83Å; V451-A460 HydrophobicContact CB-CB 4.15Å; V451-A460 HydrophobicContact CG2-CB 3.68Å; A460-L738 HydrophobicContact CB-CD1 4.23Å; A460-L738 HydrophobicContact CB-CD2 4.14Å; A460-L738 WeakPolarHBondContact O-CD2 3.45Å
461	G	85.8	Confident	88.6	Confident	19 Å²	19	47.8 Å²	47.8	20%	0.196	27%	0.269	C	S	.	.	S	Bend	trans	68.2	-172.8	177.1	0	0	0	0	0	115.8
462	P	91.9	Very high	89.2	Confident	14 Å²	14	46.1 Å²	46.1	9%	0.091	26%	0.258	C	S	.	.	S	Bend	trans	-79.5	141.5	-170.8	27.4	-30.1	0	0	0	112.6	H505 L736 E737 D739	P462-H505 HydrophobicContact CB-CB 4.02Å; P462-H505 VanDerWaalsContact CB-O 3.28Å; P462-H505 WeakPolarHBondContact CB-O 3.21Å; P462-L736 HydrophobicContact CG-CD1 4.1Å; P462-E737 WeakPolarHBondContact CD-O 3.38Å; P462-D739 WeakPolarHBondContact CD-OD2 3.47Å
463	P	95.6	Very high	90	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	25%	0.254	C	S	.	.			trans	-49.6	155.5	175.7	-29.4	32	0	0	0	116.2	L446 L447 R448 H505 N507	L446-P463 HydrophobicContact CD1-CB 3.59Å; L446-P463 HydrophobicContact CG-CB 4.33Å; L447-P463 WeakPolarHBondContact O-CA 3.41Å; R448-P463 VanDerWaalsContact NH1-CG 3.35Å; P463-H505 WeakPolarHBondContact CD-O 3.16Å; P463-N507 PolarHBondContact O-N 3.21Å; P463-N507 PolarHBondContact O-ND2 3.06Å
464	L	97.9	Very high	91.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113	175.6	178.8	63.9	0	0	0	110	F322 I370 F418 L447 V466 N507 V509 L698	F322-L464 HydrophobicContact CE1-CD2 4.44Å; F322-L464 HydrophobicContact CE2-CD2 3.67Å; F322-L464 HydrophobicContact CZ-CD1 4.41Å; F322-L464 HydrophobicContact CZ-CD2 3.62Å; I370-L464 HydrophobicContact CD1-CD2 3.64Å; F418-L464 HydrophobicContact CE1-CD2 4.18Å; F418-L464 HydrophobicContact CZ-CD2 4.41Å; L447-L464 PolarHBondContact N-O 3.14Å; L447-L464 PolarHBondContact O-N 2.84Å; L464-V466 HydrophobicContact CD2-CG2 4.03Å; L464-V466 HydrophobicContact CG-CG2 3.91Å; L464-N507 HydrophobicContact CD1-CB 3.86Å; L464-V509 HydrophobicContact CD1-CG2 4.08Å; L464-L698 HydrophobicContact CD1-CD1 4.05Å
465	C	98.7	Very high	92.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119.9	168	179.5	0	0	0	0	108.8	V444 L445 V495 N507 V508 V509	V444-C465 VanDerWaalsContact CG1-SG 3.55Å; L445-C465 CarbonylContact O-C 3.51Å; L445-C465 WeakPolarHBondContact O-CA 3.47Å; C465-V495 HydrophobicContact CB-CG1 4.1Å; C465-N507 WeakPolarHBondContact CB-O 3.21Å; C465-N507 PolarHBondContact N-O 3.35Å; C465-V508 HydrophobicContact CB-CG2 4.4Å; C465-V508 CarbonylContact O-C 3.59Å; C465-V508 WeakPolarHBondContact O-CA 3.14Å; C465-V509 PolarHBondContact O-N 3.44Å
466	V	98.9	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.6	175.7	-178.1	0	0	0	0	108.7	I370 V411 V444 L445 L447 L464 V509	I370-V466 HydrophobicContact CD1-CG2 4.02Å; I370-V466 HydrophobicContact CG2-CG1 3.83Å; I370-V466 HydrophobicContact CG2-CG2 4.36Å; V411-V466 HydrophobicContact CG1-CG1 3.88Å; V444-V466 CarbonylContact C-O 3.58Å; V444-V466 WeakPolarHBondContact CA-O 3.42Å; L445-V466 HydrophobicContact CB-CB 4.49Å; L445-V466 PolarHBondContact N-O 2.96Å; L445-V466 PolarHBondContact O-N 3.12Å; L447-V466 HydrophobicContact CD1-CG2 3.8Å; L447-V466 HydrophobicContact CG-CG2 4.3Å; L464-V466 HydrophobicContact CD2-CG2 4.03Å; L464-V466 HydrophobicContact CG-CG2 3.91Å; V466-V509 CarbonylContact C-O 3.51Å; V466-V509 WeakPolarHBondContact CA-O 3.43Å
467	A	98.9	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.6	176.4	0	0	0	0	0	111.2	V443 V444 M488 I492 V509 F510 C511	V443-A467 CarbonylContact O-C 3.56Å; V443-A467 WeakPolarHBondContact O-CA 3.21Å; V444-A467 HydrophobicContact CG2-CB 4.06Å; A467-M488 HydrophobicContact CB-CE 3.89Å; A467-I492 HydrophobicContact CB-CD1 3.65Å; A467-I492 HydrophobicContact CB-CG1 3.97Å; A467-V509 PolarHBondContact N-O 3.25Å; A467-F510 HydrophobicContact CB-CB 4.19Å; A467-F510 HydrophobicContact CB-CD2 3.5Å; A467-F510 HydrophobicContact CB-CE2 4.12Å; A467-F510 HydrophobicContact CB-CG 3.98Å; A467-C511 PolarHBondContact O-N 2.79Å
468	N	98.9	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.8	175.1	-176	13.2	0	0	0	110.1	C372 L373 Q374 A410 V411 G442 V443 M488 C511	C372-N468 HydrophobicContact CB-CB 4.13Å; L373-N468 PolarHBondContact N-ND2 2.85Å; L373-N468 PolarHBondContact O-ND2 2.88Å; Q374-N468 PolarHBondContact NE2-OD1 3.46Å; A410-N468 PolarHBondContact O-ND2 3.44Å; V411-N468 HydrophobicContact CG2-CB 3.39Å; G442-N468 CarbonylContact C-O 3.56Å; G442-N468 VanDerWaalsContact CA-O 3.22Å; G442-N468 WeakPolarHBondContact CA-O 3.29Å; V443-N468 PolarHBondContact N-O 3.14Å; V443-N468 PolarHBondContact O-N 3.03Å; N468-M488 WeakPolarHBondContact O-CE 3.49Å; N468-C511 WeakPolarHBondContact CA-O 3.07Å
469	T	98.9	Very high	95.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159.6	177.3	-166	0	0	0	0	111.9	Q374 V441 L471 F510 C511 G512 D513 F514	Q374-T469 WeakPolarHBondContact CG-O 3.2Å; V441-T469 PolarHBondContact O-OG1 2.89Å; T469-L471 HydrophobicContact CG2-CD2 3.98Å; T469-L471 HydrophobicContact CG2-CG 4.08Å; T469-F510 HydrophobicContact CG2-CE2 3.76Å; T469-F510 HydrophobicContact CG2-CZ 4.13Å; T469-C511 PolarHBondContact N-O 3.13Å; T469-G512 WeakPolarHBondContact O-CA 3.35Å; T469-D513 PolarHBondContact O-N 3.02Å; T469-D513 VanDerWaalsContact O-N 3.14Å; T469-F514 HydrophobicContact CG2-CE1 4.35Å; T469-F514 HydrophobicContact CG2-CZ 4.28Å
470	H	98.8	Very high	96	Very high	10 Å²	10	22.3 Å²	22.3	5%	0.046	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	107.1	157.6	-176.5	167.6	0	0	0	106.6	Q374 E375 N440 D513 N515	Q374-H470 HydrophobicContact CB-CB 4.21Å; Q374-H470 HydrophobicContact CG-CB 4.21Å; E375-H470 IonicContact OE1-CE1 2.73Å; E375-H470 PolarHBondContact OE1-CE1 3.49Å; N440-H470 WeakPolarHBondContact CB-O 3.32Å; N440-H470 PolarHBondContact ND2-O 2.84Å; H470-D513 WeakPolarHBondContact CA-O 3.27Å; H470-D513 IonicContact CE1-OD2 2.74Å; H470-D513 IonicContact NE2-OD2 3.95Å; H470-N515 PolarHBondContact NE2-ND2 3.23Å
471	L	98.8	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.			trans	-71.5	168.1	-179.8	-61.9	-171.8	0	0	0	112.3	F428 N440 T469 F473 Q484 L485 D513 F514 L522	F428-L471 HydrophobicContact CE2-CD2 4.42Å; N440-L471 VanDerWaalsContact ND2-C 3.29Å; N440-L471 PolarHBondContact ND2-O 3.35Å; N440-L471 VanDerWaalsContact ND2-O 3.12Å; T469-L471 HydrophobicContact CG2-CD2 3.98Å; T469-L471 HydrophobicContact CG2-CG 4.08Å; L471-F473 PolarHBondContact O-N 3.05Å; L471-F473 VanDerWaalsContact O-N 3.16Å; L471-Q484 HydrophobicContact CD2-CB 3.8Å; L471-L485 HydrophobicContact CD1-CB 4.44Å; L471-D513 PolarHBondContact N-O 3.47Å; L471-F514 HydrophobicContact CD1-CB 4.15Å; L471-F514 HydrophobicContact CD1-CD1 3.77Å; L471-F514 HydrophobicContact CD1-CG 4.29Å; L471-F514 HydrophobicContact CG-CD1 4.45Å; L471-L522 HydrophobicContact CD1-CD1 4.24Å; L471-L522 HydrophobicContact CD1-CD2 4.49Å
472	L	98.6	Very high	97.3	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.063	9%	0.091	C	C	.	.			trans	-60.9	117.8	179.8	174.3	64.5	0	0	0	112.1	R438 N474 R477 V480 K481	R438-L472 HydrophobicContact CB-CD1 4.22Å; R438-L472 HydrophobicContact CG-CD1 3.79Å; R438-L472 HydrophobicContact CG-CD2 3.95Å; R438-L472 HydrophobicContact CG-CG 4.45Å; L472-N474 HydrophobicContact CD1-CB 4.15Å; L472-N474 HydrophobicContact CD2-CB 4.15Å; L472-N474 HydrophobicContact CG-CB 3.98Å; L472-N474 PolarHBondContact O-N 2.93Å; L472-R477 HydrophobicContact CD2-CB 3.52Å; L472-R477 HydrophobicContact CD2-CG 4.27Å; L472-V480 HydrophobicContact CD2-CB 3.72Å; L472-V480 HydrophobicContact CD2-CG1 3.86Å; L472-V480 HydrophobicContact CD2-CG2 4.14Å; L472-K481 HydrophobicContact CB-CG 4.39Å; L472-K481 WeakPolarHBondContact O-CE 3.44Å; L472-K481 PolarHBondContact O-NZ 3.05Å
473	F	97.3	Very high	97.6	Very high	117 Å²	117	19.7 Å²	19.7	51%	0.513	9%	0.087	S	C	.	.			trans	-48	-52.8	173.7	175.9	-94.8	0	0	0	113.8	L471 P475 K481 N515 Q544	L471-F473 PolarHBondContact O-N 3.05Å; L471-F473 VanDerWaalsContact O-N 3.16Å; F473-P475 VanDerWaalsContact O-N 3.15Å; F473-K481 PolarHBondContact O-NZ 3.02Å; F473-N515 WeakPolarHBondContact CA-OD1 3.41Å; F473-N515 WeakPolarHBondContact CD2-OD1 2.99Å; F473-Q544 PolarHBondContact O-NE2 3Å; F473-Q544 PolarHBondContact O-OE1 3.12Å
474	N	96.4	Very high	97.8	Very high	59 Å²	59	19.7 Å²	19.7	32%	0.316	9%	0.086	S	C	.	.			trans	-44.8	115.7	-167.4	-171.3	-61.8	0	0	0	113.5	L472 R476 R477 K481	L472-N474 HydrophobicContact CD1-CB 4.15Å; L472-N474 HydrophobicContact CD2-CB 4.15Å; L472-N474 HydrophobicContact CG-CB 3.98Å; L472-N474 PolarHBondContact O-N 2.93Å; N474-R476 PolarHBondContact O-N 2.67Å; N474-R476 WeakPolarHBondContact OD1-CA 3.48Å; N474-R476 WeakPolarHBondContact OD1-CB 3.22Å; N474-R476 PolarHBondContact OD1-N 3.17Å; N474-R477 PolarHBondContact O-N 3.36Å; N474-K481 PolarHBondContact O-NZ 3.47Å
475	P	94.8	Very high	97.8	Very high	10 Å²	10	19.7 Å²	19.7	7%	0.065	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.2	-172	27.8	-34.9	0	0	0	113.4	F473 W539 Q544 E545	F473-P475 VanDerWaalsContact O-N 3.15Å; P475-W539 VanDerWaalsContact O-CA 3.31Å; P475-W539 WeakPolarHBondContact O-CA 3.43Å; P475-Q544 HydrophobicContact CB-CB 3.82Å; P475-E545 HydrophobicContact CB-CB 4.29Å; P475-E545 HydrophobicContact CB-CG 4.03Å; P475-E545 VanDerWaalsContact CG-CD 3.45Å; P475-E545 HydrophobicContact CG-CG 3.84Å; P475-E545 WeakPolarHBondContact CG-OE1 3.46Å
476	R	94.6	Very high	97.8	Very high	134 Å²	134	19.7 Å²	19.7	51%	0.506	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.1	-179.3	-56.2	173.6	66	-170.4	-0.3	113.4	N474 T538 L547	N474-R476 PolarHBondContact O-N 2.67Å; N474-R476 WeakPolarHBondContact OD1-CA 3.48Å; N474-R476 WeakPolarHBondContact OD1-CB 3.22Å; N474-R476 PolarHBondContact OD1-N 3.17Å; R476-T538 WeakPolarHBondContact O-CB 3.5Å; R476-L547 HydrophobicContact CG-CD1 3.68Å
477	R	96.2	Very high	97.8	Very high	48 Å²	48	20.2 Å²	20.2	18%	0.181	9%	0.089	C	C	.	.			trans	-114.4	51.1	-173.6	-69	-60.4	-59	-76.5	8.9	113.5	L435 D437 L472 N474 D479 V480 K481	L435-R477 PolarHBondContact O-NH2 2.91Å; L435-R477 VanDerWaalsContact O-NH2 3.1Å; D437-R477 IonicContact OD1-CZ 2.71Å; D437-R477 IonicContact OD1-NH1 3.84Å; D437-R477 PolarHBondContact OD1-NH1 3.31Å; D437-R477 IonicContact OD1-NH2 3.59Å; D437-R477 IonicContact OD2-NH1 2.78Å; D437-R477 PolarHBondContact OD2-NH1 3.35Å; L472-R477 HydrophobicContact CD2-CB 3.52Å; L472-R477 HydrophobicContact CD2-CG 4.27Å; N474-R477 PolarHBondContact O-N 3.36Å; R477-D479 WeakPolarHBondContact CA-OD1 3.41Å; R477-D479 IonicContact CZ-OD2 2.82Å; R477-D479 VanDerWaalsContact CZ-OD2 3.27Å; R477-D479 IonicContact NE-OD1 3.27Å; R477-D479 PolarHBondContact NE-OD1 2.9Å; R477-D479 VanDerWaalsContact NE-OD1 3.11Å; R477-D479 IonicContact NE-OD2 3.8Å; R477-D479 PolarHBondContact NE-OD2 3.07Å; R477-D479 IonicContact NH2-OD2 3.99Å; R477-D479 PolarHBondContact NH2-OD2 2.76Å; R477-D479 PolarHBondContact O-N 2.96Å; R477-V480 HydrophobicContact CB-CB 4.31Å; R477-V480 HydrophobicContact CB-CG2 3.96Å; R477-V480 HydrophobicContact CG-CG2 4.48Å; R477-V480 PolarHBondContact O-N 2.91Å; R477-K481 PolarHBondContact O-N 3.43Å; R477-K481 VanDerWaalsContact O-N 3.14Å
478	G	97.2	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-23.4	173.8	0	0	0	0	0	114.5	V480 K481 L482 T538	G478-V480 VanDerWaalsContact C-N 3.32Å; G478-K481 PolarHBondContact O-N 3.22Å; G478-L482 WeakPolarHBondContact O-CB 3.43Å; G478-L482 WeakPolarHBondContact O-CG 3.41Å; G478-L482 PolarHBondContact O-N 3.08Å; G478-T538 VanDerWaalsContact CA-O 3.28Å; G478-T538 WeakPolarHBondContact CA-O 3.22Å; G478-T538 PolarHBondContact N-O 3.33Å
479	D	96.8	Very high	97.8	Very high	23 Å²	23	20.3 Å²	20.3	12%	0.123	9%	0.089	C	C	.	.	H	α-helix	trans	-55.3	-45.8	167	57.1	-50.3	0	0	0	111.7	L435 R477 A483 T538 L556 L560	L435-D479 HydrophobicContact CD1-CB 3.81Å; L435-D479 WeakPolarHBondContact CD1-OD2 3.43Å; R477-D479 WeakPolarHBondContact CA-OD1 3.41Å; R477-D479 IonicContact CZ-OD2 2.82Å; R477-D479 VanDerWaalsContact CZ-OD2 3.27Å; R477-D479 IonicContact NE-OD1 3.27Å; R477-D479 PolarHBondContact NE-OD1 2.9Å; R477-D479 VanDerWaalsContact NE-OD1 3.11Å; R477-D479 IonicContact NE-OD2 3.8Å; R477-D479 PolarHBondContact NE-OD2 3.07Å; R477-D479 IonicContact NH2-OD2 3.99Å; R477-D479 PolarHBondContact NH2-OD2 2.76Å; R477-D479 PolarHBondContact O-N 2.96Å; D479-A483 PolarHBondContact O-N 3.48Å; D479-T538 HydrophobicContact CB-CG2 4.42Å; D479-L556 HydrophobicContact CB-CD2 3.74Å; D479-L560 HydrophobicContact CB-CD1 4.34Å
480	V	97.9	Very high	97.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-73.7	-44.2	178.9	-171.7	0	0	0	0	110.9	L435 L436 R438 L472 R477 G478 L482 A483 Q484	L435-V480 HydrophobicContact CD1-CG2 4.22Å; L435-V480 WeakPolarHBondContact O-CG2 3.16Å; L436-V480 HydrophobicContact CD2-CG1 4.23Å; R438-V480 HydrophobicContact CB-CG1 4.46Å; R438-V480 HydrophobicContact CG-CG1 4.43Å; L472-V480 HydrophobicContact CD2-CB 3.72Å; L472-V480 HydrophobicContact CD2-CG1 3.86Å; L472-V480 HydrophobicContact CD2-CG2 4.14Å; R477-V480 HydrophobicContact CB-CB 4.31Å; R477-V480 HydrophobicContact CB-CG2 3.96Å; R477-V480 HydrophobicContact CG-CG2 4.48Å; R477-V480 PolarHBondContact O-N 2.91Å; G478-V480 VanDerWaalsContact C-N 3.32Å; V480-L482 VanDerWaalsContact C-N 3.29Å; V480-L482 PolarHBondContact O-N 3.04Å; V480-A483 PolarHBondContact O-N 2.95Å; V480-A483 VanDerWaalsContact O-N 3.13Å; V480-Q484 HydrophobicContact CG1-CG 4.05Å; V480-Q484 WeakPolarHBondContact O-CB 3.39Å; V480-Q484 VanDerWaalsContact O-CG 3.28Å; V480-Q484 WeakPolarHBondContact O-CG 3.34Å; V480-Q484 PolarHBondContact O-N 3.3Å
481	K	98.7	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-55.3	-44.1	177.7	-72.4	-179.8	156.9	76.4	0	111.7	L472 F473 N474 R477 G478 Q484 L485 N515 L522 Q544	L472-K481 HydrophobicContact CB-CG 4.39Å; L472-K481 WeakPolarHBondContact O-CE 3.44Å; L472-K481 PolarHBondContact O-NZ 3.05Å; F473-K481 PolarHBondContact O-NZ 3.02Å; N474-K481 PolarHBondContact O-NZ 3.47Å; R477-K481 PolarHBondContact O-N 3.43Å; R477-K481 VanDerWaalsContact O-N 3.14Å; G478-K481 PolarHBondContact O-N 3.22Å; K481-Q484 PolarHBondContact O-N 3.08Å; K481-L485 VanDerWaalsContact O-CB 3.29Å; K481-L485 WeakPolarHBondContact O-CB 3.05Å; K481-L485 PolarHBondContact O-N 2.75Å; K481-N515 WeakPolarHBondContact CE-O 3.45Å; K481-L522 HydrophobicContact CB-CD1 3.65Å; K481-L522 HydrophobicContact CD-CD1 4.14Å; K481-L522 HydrophobicContact CG-CD1 4.47Å; K481-Q544 VanDerWaalsContact CE-OE1 3.31Å
482	L	98.4	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-39.7	176.6	-74	170	0	0	0	112.7	G478 V480 L485 A486 F525 L531 V541 L556 L560 L639	G478-L482 WeakPolarHBondContact O-CB 3.43Å; G478-L482 WeakPolarHBondContact O-CG 3.41Å; G478-L482 PolarHBondContact O-N 3.08Å; V480-L482 VanDerWaalsContact C-N 3.29Å; V480-L482 PolarHBondContact O-N 3.04Å; L482-L485 PolarHBondContact O-N 2.79Å; L482-A486 WeakPolarHBondContact O-CB 3.36Å; L482-A486 PolarHBondContact O-N 3.02Å; L482-F525 HydrophobicContact CD2-CD1 4.1Å; L482-L531 HydrophobicContact CD1-CD2 4.12Å; L482-L531 HydrophobicContact CD2-CD2 3.74Å; L482-V541 HydrophobicContact CD1-CG1 3.89Å; L482-V541 HydrophobicContact CD1-CG2 4.16Å; L482-V541 HydrophobicContact CD2-CG1 4.24Å; L482-V541 HydrophobicContact CG-CG1 3.77Å; L482-L556 HydrophobicContact CD1-CD1 3.77Å; L482-L560 HydrophobicContact CB-CD2 3.76Å; L482-L560 HydrophobicContact CD1-CD2 3.93Å; L482-L639 HydrophobicContact CB-CD1 4.44Å; L482-L639 HydrophobicContact CD2-CD1 4.34Å
483	A	98.2	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.7	-39.4	176.2	0	0	0	0	0	112.7	L435 L436 D479 V480 A486 I487 W561	L435-A483 HydrophobicContact CD2-CB 3.81Å; L435-A483 HydrophobicContact CG-CB 4.45Å; L436-A483 HydrophobicContact CD1-CB 4.39Å; L436-A483 HydrophobicContact CD2-CB 3.84Å; L436-A483 HydrophobicContact CG-CB 4.15Å; D479-A483 PolarHBondContact O-N 3.48Å; V480-A483 PolarHBondContact O-N 2.95Å; V480-A483 VanDerWaalsContact O-N 3.13Å; A483-A486 PolarHBondContact O-N 3.44Å; A483-I487 WeakPolarHBondContact O-CG1 3.27Å; A483-I487 PolarHBondContact O-N 2.79Å; A483-I487 VanDerWaalsContact O-N 3.14Å; A483-W561 HydrophobicContact CB-CE3 3.96Å; A483-W561 HydrophobicContact CB-CZ3 4.47Å
484	Q	98.8	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-45.2	173.6	-69.8	175.8	-15.7	0	0	111.5	F428 L436 N440 L471 V480 K481 A486 I487 M488	F428-Q484 HydrophobicContact CB-CG 3.9Å; F428-Q484 HydrophobicContact CD2-CB 3.77Å; F428-Q484 HydrophobicContact CD2-CG 3.58Å; F428-Q484 HydrophobicContact CE2-CB 4.11Å; F428-Q484 HydrophobicContact CE2-CG 4.38Å; F428-Q484 HydrophobicContact CG-CB 4.2Å; F428-Q484 HydrophobicContact CG-CG 3.93Å; L436-Q484 HydrophobicContact CD2-CG 3.92Å; N440-Q484 PolarHBondContact OD1-NE2 3.29Å; L471-Q484 HydrophobicContact CD2-CB 3.8Å; V480-Q484 HydrophobicContact CG1-CG 4.05Å; V480-Q484 WeakPolarHBondContact O-CB 3.39Å; V480-Q484 VanDerWaalsContact O-CG 3.28Å; V480-Q484 WeakPolarHBondContact O-CG 3.34Å; V480-Q484 PolarHBondContact O-N 3.3Å; K481-Q484 PolarHBondContact O-N 3.08Å; Q484-A486 VanDerWaalsContact C-N 3.33Å; Q484-A486 PolarHBondContact O-N 2.97Å; Q484-I487 PolarHBondContact O-N 3.03Å; Q484-M488 PolarHBondContact O-N 3.28Å
485	L	98.8	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-38.3	174.5	177.2	60	0	0	0	112.2	L471 K481 L482 I487 M488 L489 F510 F514 L522 F525 I526	L471-L485 HydrophobicContact CD1-CB 4.44Å; K481-L485 VanDerWaalsContact O-CB 3.29Å; K481-L485 WeakPolarHBondContact O-CB 3.05Å; K481-L485 PolarHBondContact O-N 2.75Å; L482-L485 PolarHBondContact O-N 2.79Å; L485-I487 VanDerWaalsContact C-N 3.31Å; L485-I487 PolarHBondContact O-N 3.41Å; L485-M488 PolarHBondContact O-N 2.77Å; L485-L489 HydrophobicContact CD1-CD1 4.06Å; L485-L489 HydrophobicContact CD1-CG 4.12Å; L485-L489 HydrophobicContact CG-CD1 3.85Å; L485-L489 HydrophobicContact CG-CG 4.38Å; L485-L489 WeakPolarHBondContact O-CB 3.43Å; L485-L489 WeakPolarHBondContact O-CG 3.14Å; L485-L489 PolarHBondContact O-N 2.9Å; L485-F510 HydrophobicContact CD1-CE1 3.81Å; L485-F510 HydrophobicContact CD1-CZ 4.06Å; L485-F514 HydrophobicContact CD1-CE1 4.16Å; L485-L522 HydrophobicContact CD2-CD1 4.49Å; L485-L522 HydrophobicContact CD2-CD2 3.94Å; L485-L522 HydrophobicContact CD2-CG 3.85Å; L485-F525 HydrophobicContact CD2-CD1 3.8Å; L485-F525 HydrophobicContact CD2-CE1 4.35Å; L485-I526 HydrophobicContact CD1-CD1 4.04Å; L485-I526 HydrophobicContact CD1-CG1 4.05Å; L485-I526 HydrophobicContact CD2-CD1 3.97Å; L485-I526 HydrophobicContact CD2-CG1 3.68Å; L485-I526 HydrophobicContact CG-CG1 4.47Å
486	A	98.4	Very high	98	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65	-32.6	176.1	0	0	0	0	0	113.1	L482 A483 Q484 A490 W561 I567	L482-A486 WeakPolarHBondContact O-CB 3.36Å; L482-A486 PolarHBondContact O-N 3.02Å; A483-A486 PolarHBondContact O-N 3.44Å; Q484-A486 VanDerWaalsContact C-N 3.33Å; Q484-A486 PolarHBondContact O-N 2.97Å; A486-A490 VanDerWaalsContact O-CB 3.25Å; A486-A490 WeakPolarHBondContact O-CB 3.47Å; A486-A490 PolarHBondContact O-N 3.04Å; A486-W561 HydrophobicContact CB-CH2 3.27Å; A486-W561 HydrophobicContact CB-CZ2 3.88Å; A486-W561 HydrophobicContact CB-CZ3 3.65Å; A486-I567 HydrophobicContact CB-CG2 4.35Å
487	I	98.6	Very high	98	Very high	12 Å²	12	14.2 Å²	14.2	6%	0.062	7%	0.071	C	C	.	.	H	α-helix	trans	-65.5	-48.1	171	-64.3	157.9	0	0	0	110.6	L426 F428 L436 A483 Q484 L485 L489 A490 E491 L565 I567	L426-I487 HydrophobicContact CD1-CG2 4.45Å; F428-I487 HydrophobicContact CB-CD1 4.07Å; F428-I487 HydrophobicContact CD1-CB 4.04Å; F428-I487 HydrophobicContact CD1-CD1 3.9Å; F428-I487 HydrophobicContact CD1-CG2 3.81Å; F428-I487 HydrophobicContact CE1-CB 4.23Å; F428-I487 HydrophobicContact CE1-CG2 3.94Å; F428-I487 HydrophobicContact CG-CD1 4.29Å; L436-I487 HydrophobicContact CD1-CD1 3.95Å; L436-I487 HydrophobicContact CD2-CD1 4.34Å; A483-I487 WeakPolarHBondContact O-CG1 3.27Å; A483-I487 PolarHBondContact O-N 2.79Å; A483-I487 VanDerWaalsContact O-N 3.14Å; Q484-I487 PolarHBondContact O-N 3.03Å; L485-I487 VanDerWaalsContact C-N 3.31Å; L485-I487 PolarHBondContact O-N 3.41Å; I487-L489 PolarHBondContact O-N 3.49Å; I487-A490 PolarHBondContact O-N 2.89Å; I487-E491 PolarHBondContact O-N 2.6Å; I487-E491 VanDerWaalsContact O-N 3.08Å; I487-L565 HydrophobicContact CD1-CD1 4.4Å; I487-I567 HydrophobicContact CB-CD1 4.12Å; I487-I567 HydrophobicContact CG1-CD1 3.48Å; I487-I567 VanDerWaalsContact CG1-CD1 3.48Å
488	M	98.8	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.8	-47	176	-68.5	-59	-61.5	0	0	112	L426 F428 V444 A467 N468 Q484 L485 A490 E491 I492 F510	L426-M488 HydrophobicContact CD1-CE 4.35Å; L426-M488 HydrophobicContact CD1-SD 3.55Å; L426-M488 VanDerWaalsContact CD1-SD 3.55Å; F428-M488 HydrophobicContact CE1-CG 4.13Å; F428-M488 HydrophobicContact CE1-SD 3.81Å; F428-M488 HydrophobicContact CZ-CG 3.79Å; F428-M488 HydrophobicContact CZ-SD 3.56Å; F428-M488 VanDerWaalsContact CZ-SD 3.56Å; V444-M488 HydrophobicContact CG2-CE 3.79Å; A467-M488 HydrophobicContact CB-CE 3.89Å; N468-M488 WeakPolarHBondContact O-CE 3.49Å; Q484-M488 PolarHBondContact O-N 3.28Å; L485-M488 PolarHBondContact O-N 2.77Å; M488-A490 PolarHBondContact O-N 3.13Å; M488-E491 PolarHBondContact O-N 3.11Å; M488-I492 WeakPolarHBondContact O-CD1 3.37Å; M488-I492 VanDerWaalsContact O-CG1 3.22Å; M488-I492 WeakPolarHBondContact O-CG1 3.29Å; M488-I492 PolarHBondContact O-N 3.3Å; M488-F510 HydrophobicContact CB-CE1 4.32Å; M488-F510 HydrophobicContact CB-CE2 4.37Å; M488-F510 HydrophobicContact CB-CZ 3.69Å; M488-F510 HydrophobicContact CE-CE2 3.78Å; M488-F510 HydrophobicContact CE-CZ 4.26Å; M488-F510 HydrophobicContact CG-CE2 4.39Å; M488-F510 HydrophobicContact CG-CZ 4Å
489	L	98.8	Very high	97.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-66.3	-35.3	180	-71.3	167.9	0	0	0	112.6	L485 I487 D493 F525 C571 H641 V643	L485-L489 HydrophobicContact CD1-CD1 4.06Å; L485-L489 HydrophobicContact CD1-CG 4.12Å; L485-L489 HydrophobicContact CG-CD1 3.85Å; L485-L489 HydrophobicContact CG-CG 4.38Å; L485-L489 WeakPolarHBondContact O-CB 3.43Å; L485-L489 WeakPolarHBondContact O-CG 3.14Å; L485-L489 PolarHBondContact O-N 2.9Å; I487-L489 PolarHBondContact O-N 3.49Å; L489-D493 VanDerWaalsContact O-CB 3.22Å; L489-D493 WeakPolarHBondContact O-CB 3.33Å; L489-D493 PolarHBondContact O-N 2.77Å; L489-F525 HydrophobicContact CD1-CE1 3.86Å; L489-F525 HydrophobicContact CD1-CZ 4.27Å; L489-C571 HydrophobicContact CB-CB 3.76Å; L489-C571 HydrophobicContact CD1-CB 4.34Å; L489-H641 HydrophobicContact CD1-CB 4.18Å; L489-H641 VanDerWaalsContact CD1-CD2 3.46Å; L489-H641 WeakPolarHBondContact CD1-CD2 3.44Å; L489-H641 HydrophobicContact CD2-CB 4.43Å; L489-V643 HydrophobicContact CD2-CG2 4.24Å
490	A	98.6	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.1	-38.3	175.6	0	0	0	0	0	112.5	A486 I487 M488 A494 I567 C571 Y573	A486-A490 VanDerWaalsContact O-CB 3.25Å; A486-A490 WeakPolarHBondContact O-CB 3.47Å; A486-A490 PolarHBondContact O-N 3.04Å; I487-A490 PolarHBondContact O-N 2.89Å; M488-A490 PolarHBondContact O-N 3.13Å; A490-A494 WeakPolarHBondContact O-CB 3.41Å; A490-A494 PolarHBondContact O-N 2.97Å; A490-I567 HydrophobicContact CB-CD1 4.14Å; A490-I567 HydrophobicContact CB-CG1 4.25Å; A490-I567 HydrophobicContact CB-CG2 4.42Å; A490-C571 VanDerWaalsContact CA-O 3.27Å; A490-C571 WeakPolarHBondContact CA-O 3.25Å; A490-C571 PolarHBondContact N-O 2.8Å; A490-Y573 HydrophobicContact CB-CD1 4.12Å; A490-Y573 HydrophobicContact CB-CD2 4.35Å; A490-Y573 HydrophobicContact CB-CE1 4Å; A490-Y573 HydrophobicContact CB-CE2 4.27Å; A490-Y573 HydrophobicContact CB-CG 4.29Å
491	E	98.8	Very high	97.6	Very high	25 Å²	25	25.6 Å²	25.6	12%	0.117	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-46.7	174.1	-169	62.6	-151.5	0	0	111.7	S424 L426 V444 I487 M488 D493 A494 V495 Y573	S424-E491 WeakPolarHBondContact CB-OE1 3.41Å; S424-E491 PolarHBondContact OG-OE1 3.22Å; L426-E491 HydrophobicContact CD1-CB 3.79Å; L426-E491 HydrophobicContact CD1-CG 3.99Å; L426-E491 HydrophobicContact CD2-CB 4.27Å; L426-E491 HydrophobicContact CD2-CG 4.08Å; L426-E491 HydrophobicContact CG-CG 4.45Å; V444-E491 HydrophobicContact CB-CG 4.05Å; V444-E491 HydrophobicContact CG1-CG 4.37Å; V444-E491 HydrophobicContact CG2-CB 4.24Å; V444-E491 HydrophobicContact CG2-CG 3.89Å; I487-E491 PolarHBondContact O-N 2.6Å; I487-E491 VanDerWaalsContact O-N 3.08Å; M488-E491 PolarHBondContact O-N 3.11Å; E491-D493 VanDerWaalsContact C-N 3.31Å; E491-D493 PolarHBondContact O-N 3.16Å; E491-A494 WeakPolarHBondContact O-CB 3.28Å; E491-A494 PolarHBondContact O-N 3.16Å; E491-A494 VanDerWaalsContact O-N 3.12Å; E491-V495 WeakPolarHBondContact O-CG2 3.43Å; E491-V495 PolarHBondContact O-N 3.15Å; E491-Y573 VanDerWaalsContact OE2-CE2 3.26Å; E491-Y573 WeakPolarHBondContact OE2-CE2 3.46Å; E491-Y573 PolarHBondContact OE2-OH 3.11Å
492	I	98.8	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-44.5	176.6	-67.6	163.6	0	0	0	110.4	V444 A467 M488 V495 I496 V508 F510 V643	V444-I492 HydrophobicContact CG2-CG1 4.45Å; A467-I492 HydrophobicContact CB-CD1 3.65Å; A467-I492 HydrophobicContact CB-CG1 3.97Å; M488-I492 WeakPolarHBondContact O-CD1 3.37Å; M488-I492 VanDerWaalsContact O-CG1 3.22Å; M488-I492 WeakPolarHBondContact O-CG1 3.29Å; M488-I492 PolarHBondContact O-N 3.3Å; I492-V495 PolarHBondContact O-N 2.76Å; I492-I496 HydrophobicContact CG2-CD1 3.74Å; I492-I496 HydrophobicContact CG2-CG1 4.48Å; I492-I496 WeakPolarHBondContact O-CD1 3.5Å; I492-I496 WeakPolarHBondContact O-CG1 3.25Å; I492-I496 PolarHBondContact O-N 2.95Å; I492-V508 HydrophobicContact CG2-CG1 4.01Å; I492-V508 HydrophobicContact CG2-CG2 4.18Å; I492-F510 HydrophobicContact CD1-CD1 3.84Å; I492-F510 HydrophobicContact CD1-CD2 4.44Å; I492-F510 HydrophobicContact CD1-CE1 4.1Å; I492-F510 HydrophobicContact CD1-CG 4.03Å; I492-V643 HydrophobicContact CG2-CG1 4.2Å; I492-V643 HydrophobicContact CG2-CG2 3.91Å
493	D	98.1	Very high	97	Very high	10 Å²	10	34.5 Å²	34.5	5%	0.053	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-38.7	175.2	172.6	90.9	0	0	0	112.8	L489 E491 I496 K497 Q572	L489-D493 VanDerWaalsContact O-CB 3.22Å; L489-D493 WeakPolarHBondContact O-CB 3.33Å; L489-D493 PolarHBondContact O-N 2.77Å; E491-D493 VanDerWaalsContact C-N 3.31Å; E491-D493 PolarHBondContact O-N 3.16Å; D493-I496 PolarHBondContact O-N 3.4Å; D493-K497 WeakPolarHBondContact O-CB 3.33Å; D493-K497 VanDerWaalsContact O-CG 3.26Å; D493-K497 WeakPolarHBondContact O-CG 3.46Å; D493-K497 PolarHBondContact O-N 2.73Å; D493-K497 IonicContact OD1-NZ 2.7Å; D493-K497 WeakPolarHBondContact OD2-CD 3.32Å; D493-K497 WeakPolarHBondContact OD2-CE 3.49Å; D493-K497 IonicContact OD2-NZ 3.66Å; D493-K497 PolarHBondContact OD2-NZ 3.18Å; D493-Q572 HydrophobicContact CB-CG 4.45Å; D493-Q572 VanDerWaalsContact CG-NE2 3.3Å; D493-Q572 PolarHBondContact OD1-NE2 2.65Å; D493-Q572 VanDerWaalsContact OD2-CG 3.3Å; D493-Q572 WeakPolarHBondContact OD2-CG 3.41Å; D493-Q572 PolarHBondContact OD2-NE2 2.57Å
494	A	97.9	Very high	96.6	Very high	32 Å²	32	37 Å²	37	26%	0.264	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-43.6	174.7	0	0	0	0	0	112.2	A490 E491 K497 S498 Y573	A490-A494 WeakPolarHBondContact O-CB 3.41Å; A490-A494 PolarHBondContact O-N 2.97Å; E491-A494 WeakPolarHBondContact O-CB 3.28Å; E491-A494 PolarHBondContact O-N 3.16Å; E491-A494 VanDerWaalsContact O-N 3.12Å; A494-K497 PolarHBondContact O-N 2.97Å; A494-S498 WeakPolarHBondContact O-CB 3.46Å; A494-S498 PolarHBondContact O-N 3.01Å; A494-Y573 HydrophobicContact CB-CD2 4.08Å; A494-Y573 HydrophobicContact CB-CE2 4.17Å
495	V	98	Very high	96.3	Very high	13 Å²	13	39.7 Å²	39.7	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-47.2	174.9	171.9	0	0	0	0	111	V444 L446 C465 E491 I492 K497 S498 C499	V444-V495 HydrophobicContact CG1-CG2 4.21Å; L446-V495 HydrophobicContact CB-CG1 4.21Å; L446-V495 HydrophobicContact CD1-CG1 3.76Å; L446-V495 HydrophobicContact CD2-CG1 4.32Å; L446-V495 HydrophobicContact CG-CG1 4.32Å; C465-V495 HydrophobicContact CB-CG1 4.1Å; E491-V495 WeakPolarHBondContact O-CG2 3.43Å; E491-V495 PolarHBondContact O-N 3.15Å; I492-V495 PolarHBondContact O-N 2.76Å; V495-K497 VanDerWaalsContact C-N 3.34Å; V495-K497 PolarHBondContact O-N 2.75Å; V495-S498 WeakPolarHBondContact O-CB 3.41Å; V495-S498 PolarHBondContact O-N 3.21Å; V495-C499 PolarHBondContact O-N 3.5Å; V495-C499 PolarHBondContact O-SG 3.36Å; V495-C499 VanDerWaalsContact O-SG 3.4Å
496	I	96.7	Very high	96.1	Very high	42 Å²	42	40.1 Å²	40.1	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-44.1	175.7	-67.6	162	0	0	0	111.1	I492 D493 S498 C499 K500 C506 V508 V643	I492-I496 HydrophobicContact CG2-CD1 3.74Å; I492-I496 HydrophobicContact CG2-CG1 4.48Å; I492-I496 WeakPolarHBondContact O-CD1 3.5Å; I492-I496 WeakPolarHBondContact O-CG1 3.25Å; I492-I496 PolarHBondContact O-N 2.95Å; D493-I496 PolarHBondContact O-N 3.4Å; I496-S498 VanDerWaalsContact C-N 3.34Å; I496-S498 PolarHBondContact O-N 3.32Å; I496-C499 PolarHBondContact O-N 2.95Å; I496-K500 VanDerWaalsContact O-CB 3.27Å; I496-K500 WeakPolarHBondContact O-CB 3.38Å; I496-K500 PolarHBondContact O-N 3.24Å; I496-C506 HydrophobicContact CG1-CB 4.19Å; I496-V508 HydrophobicContact CD1-CG2 3.76Å; I496-V508 HydrophobicContact CG1-CG2 4.19Å; I496-V643 HydrophobicContact CD1-CG1 4.09Å; I496-V643 HydrophobicContact CD1-CG2 4.19Å
497	K	95.9	Very high	96	Very high	92 Å²	92	40.2 Å²	40.2	40%	0.4	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-38.3	176.5	-79.1	169.2	177.6	166.8	0	112.4	D493 A494 V495 K500 A501 Q572	D493-K497 WeakPolarHBondContact O-CB 3.33Å; D493-K497 VanDerWaalsContact O-CG 3.26Å; D493-K497 WeakPolarHBondContact O-CG 3.46Å; D493-K497 PolarHBondContact O-N 2.73Å; D493-K497 IonicContact OD1-NZ 2.7Å; D493-K497 WeakPolarHBondContact OD2-CD 3.32Å; D493-K497 WeakPolarHBondContact OD2-CE 3.49Å; D493-K497 IonicContact OD2-NZ 3.66Å; D493-K497 PolarHBondContact OD2-NZ 3.18Å; A494-K497 PolarHBondContact O-N 2.97Å; V495-K497 VanDerWaalsContact C-N 3.34Å; V495-K497 PolarHBondContact O-N 2.75Å; K497-K500 PolarHBondContact O-N 3.19Å; K497-A501 WeakPolarHBondContact O-CB 3.35Å; K497-A501 PolarHBondContact O-N 3.14Å; K497-Q572 VanDerWaalsContact NZ-CD 3.26Å
498	S	96.3	Very high	96	Very high	63 Å²	63	39.7 Å²	39.7	44%	0.441	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-50.4	176.7	-168.9	0	0	0	0	111.4	A494 V495 I496 K500 A501 R502	A494-S498 WeakPolarHBondContact O-CB 3.46Å; A494-S498 PolarHBondContact O-N 3.01Å; V495-S498 WeakPolarHBondContact O-CB 3.41Å; V495-S498 PolarHBondContact O-N 3.21Å; I496-S498 VanDerWaalsContact C-N 3.34Å; I496-S498 PolarHBondContact O-N 3.32Å; S498-K500 VanDerWaalsContact C-N 3.35Å; S498-K500 PolarHBondContact O-N 2.7Å; S498-A501 WeakPolarHBondContact O-CB 3.2Å; S498-A501 PolarHBondContact O-N 3.16Å; S498-R502 PolarHBondContact O-N 3.16Å
499	C	95.4	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-46.2	173.4	-62.3	0	0	0	0	111.7	V495 I496 A501 R502 G503 E504 C506	V495-C499 PolarHBondContact O-N 3.5Å; V495-C499 PolarHBondContact O-SG 3.36Å; V495-C499 VanDerWaalsContact O-SG 3.4Å; I496-C499 PolarHBondContact O-N 2.95Å; C499-A501 VanDerWaalsContact C-N 3.28Å; C499-A501 PolarHBondContact O-N 3.14Å; C499-R502 CarbonylContact O-C 3.58Å; C499-R502 WeakPolarHBondContact O-CA 3.26Å; C499-R502 WeakPolarHBondContact O-CB 3.3Å; C499-R502 PolarHBondContact O-N 3.48Å; C499-G503 PolarHBondContact O-N 2.75Å; C499-E504 HydrophobicContact CB-CB 4.26Å; C499-E504 WeakPolarHBondContact O-CB 3.41Å; C499-E504 PolarHBondContact O-N 2.92Å; C499-C506 HydrophobicContact CB-CB 3.83Å
500	K	93.8	Very high	96	Very high	157 Å²	157	39.7 Å²	39.7	68%	0.683	23%	0.225	S	C	*	.	H	α-helix	trans	-61.9	-32.9	178.3	-173.5	179.8	179.9	-179.3	0	113	I496 K497 S498 R502 G503 E504	I496-K500 VanDerWaalsContact O-CB 3.27Å; I496-K500 WeakPolarHBondContact O-CB 3.38Å; I496-K500 PolarHBondContact O-N 3.24Å; K497-K500 PolarHBondContact O-N 3.19Å; S498-K500 VanDerWaalsContact C-N 3.35Å; S498-K500 PolarHBondContact O-N 2.7Å; K500-R502 VanDerWaalsContact C-N 3.29Å; K500-G503 PolarHBondContact O-N 3.06Å; K500-E504 WeakPolarHBondContact CA-O 3.39Å
501	A	94.8	Very high	96	Very high	90 Å²	90	39.7 Å²	39.7	74%	0.744	23%	0.225	S	C	*	.	H	α-helix	trans	-68.9	-27.4	174.1	0	0	0	0	0	112.6	K497 S498 C499 G503	K497-A501 WeakPolarHBondContact O-CB 3.35Å; K497-A501 PolarHBondContact O-N 3.14Å; S498-A501 WeakPolarHBondContact O-CB 3.2Å; S498-A501 PolarHBondContact O-N 3.16Å; C499-A501 VanDerWaalsContact C-N 3.28Å; C499-A501 PolarHBondContact O-N 3.14Å; A501-G503 PolarHBondContact O-N 3.23Å
502	R	92.9	Very high	96	Very high	121 Å²	121	38.5 Å²	38.5	46%	0.457	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.6	168.2	-56.2	-170.5	-58.6	-137.7	2.1	113.5	S498 C499 K500 E504	S498-R502 PolarHBondContact O-N 3.16Å; C499-R502 CarbonylContact O-C 3.58Å; C499-R502 WeakPolarHBondContact O-CA 3.26Å; C499-R502 WeakPolarHBondContact O-CB 3.3Å; C499-R502 PolarHBondContact O-N 3.48Å; K500-R502 VanDerWaalsContact C-N 3.29Å; R502-E504 VanDerWaalsContact C-N 3.33Å; R502-E504 HydrophobicContact CB-CG 4.13Å; R502-E504 IonicContact CZ-OE2 3Å; R502-E504 IonicContact NE-OE1 3.69Å; R502-E504 IonicContact NE-OE2 3.82Å; R502-E504 PolarHBondContact NE-OE2 3.27Å; R502-E504 IonicContact NH2-OE2 3.43Å; R502-E504 PolarHBondContact NH2-OE2 3.43Å
503	G	90.9	Very high	96	Very high	67 Å²	67	38.6 Å²	38.6	69%	0.691	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	0.8	-175.8	0	0	0	0	0	114.8	C499 K500 A501	C499-G503 PolarHBondContact O-N 2.75Å; K500-G503 PolarHBondContact O-N 3.06Å; A501-G503 PolarHBondContact O-N 3.23Å
504	E	90.6	Very high	96	Very high	53 Å²	53	38.2 Å²	38.2	25%	0.248	22%	0.218	C	C	.	.			trans	-86.9	155.6	-172.1	-57.6	169.9	142	0	0	112.1	R448 C499 K500 R502	R448-E504 IonicContact CZ-OE1 3.95Å; R448-E504 IonicContact NH1-OE1 3.57Å; R448-E504 PolarHBondContact NH1-OE1 3.46Å; R448-E504 IonicContact NH1-OE2 3.66Å; R448-E504 IonicContact NH2-OE1 2.72Å; R448-E504 PolarHBondContact NH2-OE1 3.49Å; R448-E504 IonicContact NH2-OE2 2.64Å; C499-E504 HydrophobicContact CB-CB 4.26Å; C499-E504 WeakPolarHBondContact O-CB 3.41Å; C499-E504 PolarHBondContact O-N 2.92Å; K500-E504 WeakPolarHBondContact CA-O 3.39Å; R502-E504 VanDerWaalsContact C-N 3.33Å; R502-E504 HydrophobicContact CB-CG 4.13Å; R502-E504 IonicContact CZ-OE2 3Å; R502-E504 IonicContact NE-OE1 3.69Å; R502-E504 IonicContact NE-OE2 3.82Å; R502-E504 PolarHBondContact NE-OE2 3.27Å; R502-E504 IonicContact NH2-OE2 3.43Å; R502-E504 PolarHBondContact NH2-OE2 3.43Å
505	H	90.9	Very high	96.1	Very high	55 Å²	55	37 Å²	37	26%	0.255	21%	0.207	S	C	.	.			trans	-85.7	145	161.1	-175.5	-99	0	0	0	109.3	P462 P463 N507 K696	P462-H505 HydrophobicContact CB-CB 4.02Å; P462-H505 VanDerWaalsContact CB-O 3.28Å; P462-H505 WeakPolarHBondContact CB-O 3.21Å; P463-H505 WeakPolarHBondContact CD-O 3.16Å; H505-N507 PolarHBondContact CE1-OD1 3.35Å; H505-K696 HydrophobicContact CB-CD 3.81Å
506	C	94.7	Very high	96.1	Very high	10 Å²	10	36.3 Å²	36.3	7%	0.068	20%	0.203	C	C	.	.			trans	-117.4	123.2	169	-166	0	0	0	0	108.4	I496 C499	I496-C506 HydrophobicContact CG1-CB 4.19Å; C499-C506 HydrophobicContact CB-CB 3.83Å
507	N	96.9	Very high	96.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	161.8	166.1	-59.8	-74.4	0	0	0	109.4	P463 L464 C465 H505 G697 L698 L736	P463-N507 PolarHBondContact O-N 3.21Å; P463-N507 PolarHBondContact O-ND2 3.06Å; L464-N507 HydrophobicContact CD1-CB 3.86Å; C465-N507 WeakPolarHBondContact CB-O 3.21Å; C465-N507 PolarHBondContact N-O 3.35Å; H505-N507 PolarHBondContact CE1-OD1 3.35Å; N507-G697 WeakPolarHBondContact OD1-CA 3.44Å; N507-L698 HydrophobicContact CB-CD1 4.28Å; N507-L698 HydrophobicContact CB-CD2 4.15Å; N507-L698 HydrophobicContact CB-CG 3.98Å; N507-L736 VanDerWaalsContact ND2-CD1 3.29Å; N507-L736 WeakPolarHBondContact ND2-CD1 3.28Å
508	V	98.4	Very high	96.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.4	178.3	-172.4	0	0	0	0	110.1	C465 I492 I496 F510 V643 L645 Y677 S678	C465-V508 HydrophobicContact CB-CG2 4.4Å; C465-V508 CarbonylContact O-C 3.59Å; C465-V508 WeakPolarHBondContact O-CA 3.14Å; I492-V508 HydrophobicContact CG2-CG1 4.01Å; I492-V508 HydrophobicContact CG2-CG2 4.18Å; I496-V508 HydrophobicContact CD1-CG2 3.76Å; I496-V508 HydrophobicContact CG1-CG2 4.19Å; V508-F510 HydrophobicContact CG1-CB 4.47Å; V508-V643 HydrophobicContact CB-CG1 4.43Å; V508-V643 HydrophobicContact CG1-CG1 4.43Å; V508-V643 HydrophobicContact CG2-CG1 3.96Å; V508-L645 HydrophobicContact CB-CD2 4.25Å; V508-L645 HydrophobicContact CG1-CD2 4.02Å; V508-Y677 CarbonylContact O-C 3.49Å; V508-Y677 VanDerWaalsContact O-CA 3.28Å; V508-Y677 WeakPolarHBondContact O-CA 3.39Å; V508-S678 PolarHBondContact N-OG 3.2Å; V508-S678 PolarHBondContact O-N 3.41Å; V508-S678 PolarHBondContact O-OG 2.79Å
509	V	98.8	Very high	95.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.2	158.1	166.5	0	0	0	0	106.8	V324 L464 C465 V466 A467 I675 F676 L698 F734	V324-V509 HydrophobicContact CG1-CG1 3.98Å; V324-V509 HydrophobicContact CG2-CG1 4.24Å; V324-V509 HydrophobicContact CG2-CG2 4.48Å; L464-V509 HydrophobicContact CD1-CG2 4.08Å; C465-V509 PolarHBondContact O-N 3.44Å; V466-V509 CarbonylContact C-O 3.51Å; V466-V509 WeakPolarHBondContact CA-O 3.43Å; A467-V509 PolarHBondContact N-O 3.25Å; V509-I675 HydrophobicContact CG1-CG2 4.2Å; V509-F676 CarbonylContact C-O 3.54Å; V509-F676 WeakPolarHBondContact CA-O 3.44Å; V509-L698 HydrophobicContact CG2-CD1 3.74Å; V509-F734 HydrophobicContact CG2-CE2 4.19Å
510	F	98.9	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	103.8	179.4	-176.3	-167.3	0	0	0	109.1	A467 T469 L485 M488 I492 V508 F514 L645 F676	A467-F510 HydrophobicContact CB-CB 4.19Å; A467-F510 HydrophobicContact CB-CD2 3.5Å; A467-F510 HydrophobicContact CB-CE2 4.12Å; A467-F510 HydrophobicContact CB-CG 3.98Å; T469-F510 HydrophobicContact CG2-CE2 3.76Å; T469-F510 HydrophobicContact CG2-CZ 4.13Å; L485-F510 HydrophobicContact CD1-CE1 3.81Å; L485-F510 HydrophobicContact CD1-CZ 4.06Å; M488-F510 HydrophobicContact CB-CE1 4.32Å; M488-F510 HydrophobicContact CB-CE2 4.37Å; M488-F510 HydrophobicContact CB-CZ 3.69Å; M488-F510 HydrophobicContact CE-CE2 3.78Å; M488-F510 HydrophobicContact CE-CZ 4.26Å; M488-F510 HydrophobicContact CG-CE2 4.39Å; M488-F510 HydrophobicContact CG-CZ 4Å; I492-F510 HydrophobicContact CD1-CD1 3.84Å; I492-F510 HydrophobicContact CD1-CD2 4.44Å; I492-F510 HydrophobicContact CD1-CE1 4.1Å; I492-F510 HydrophobicContact CD1-CG 4.03Å; V508-F510 HydrophobicContact CG1-CB 4.47Å; F510-F514 HydrophobicContact CD1-CE1 4.37Å; F510-F514 HydrophobicContact CD1-CZ 4.09Å; F510-F514 AromaticContact CD2-CZ 3.86Å; F510-F514 HydrophobicContact CD2-CZ 3.86Å; F510-F514 AromaticContact CE1-CE1 3.73Å; F510-F514 HydrophobicContact CE1-CE1 3.73Å; F510-F514 AromaticContact CE1-CZ 3.84Å; F510-F514 HydrophobicContact CE1-CZ 3.84Å; F510-F514 HydrophobicContact CE2-CE1 4.01Å; F510-F514 AromaticContact CE2-CZ 3.57Å; F510-F514 HydrophobicContact CE2-CZ 3.57Å; F510-F514 HydrophobicContact CG-CZ 4.11Å; F510-F514 AromaticContact CZ-CE1 3.52Å; F510-F514 HydrophobicContact CZ-CE1 3.52Å; F510-F514 AromaticContact CZ-CZ 3.56Å; F510-F514 HydrophobicContact CZ-CZ 3.56Å; F510-L645 HydrophobicContact CD1-CD1 4.24Å; F510-F676 HydrophobicContact CB-CB 4.33Å; F510-F676 PolarHBondContact N-O 3.1Å; F510-F676 PolarHBondContact O-N 3.15Å
511	C	98.9	Very high	96.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	164.6	178.9	-64	0	0	0	0	111.4	C372 A467 N468 T469 Y674	C372-C511 HydrophobicContact CB-CB 3.48Å; C372-C511 VanDerWaalsContact CB-CB 3.48Å; A467-C511 PolarHBondContact O-N 2.79Å; N468-C511 WeakPolarHBondContact CA-O 3.07Å; T469-C511 PolarHBondContact N-O 3.13Å; C511-Y674 WeakPolarHBondContact CA-O 3.45Å
512	G	98.7	Very high	96.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.1	170.6	168.6	0	0	0	0	0	114.2	S326 T469 F514 D673 Y674	S326-G512 PolarHBondContact OG-N 3.12Å; T469-G512 WeakPolarHBondContact O-CA 3.35Å; G512-F514 WeakPolarHBondContact O-CD2 3.39Å; G512-D673 WeakPolarHBondContact O-CA 3.21Å; G512-Y674 PolarHBondContact N-O 3.23Å; G512-Y674 PolarHBondContact O-N 3.33Å
513	D	98.9	Very high	96.6	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.1	157	-178	-20.7	0	0	0	107.6	Q374 T469 H470 L471 N515 H727	Q374-D513 HydrophobicContact CG-CB 4.34Å; T469-D513 PolarHBondContact O-N 3.02Å; T469-D513 VanDerWaalsContact O-N 3.14Å; H470-D513 WeakPolarHBondContact CA-O 3.27Å; H470-D513 IonicContact CE1-OD2 2.74Å; H470-D513 IonicContact NE2-OD2 3.95Å; L471-D513 PolarHBondContact N-O 3.47Å; D513-N515 WeakPolarHBondContact OD1-CA 3.35Å; D513-N515 PolarHBondContact OD1-N 3.41Å; D513-N515 PolarHBondContact OD1-ND2 2.88Å; D513-N515 PolarHBondContact OD2-ND2 2.94Å; D513-N515 VanDerWaalsContact OD2-ND2 3.15Å; D513-H727 IonicContact OD2-CE1 2.74Å; D513-H727 PolarHBondContact OD2-CE1 3.41Å; D513-H727 VanDerWaalsContact OD2-CE1 3.3Å
514	F	98.8	Very high	96.9	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	11%	0.112	C	C	.	.			trans	-95.4	-5.5	-179.5	-71	-104.8	0	0	0	112.5	T469 L471 L485 F510 G512 S516 L522 I526 V672 Y674 F676	T469-F514 HydrophobicContact CG2-CE1 4.35Å; T469-F514 HydrophobicContact CG2-CZ 4.28Å; L471-F514 HydrophobicContact CD1-CB 4.15Å; L471-F514 HydrophobicContact CD1-CD1 3.77Å; L471-F514 HydrophobicContact CD1-CG 4.29Å; L471-F514 HydrophobicContact CG-CD1 4.45Å; L485-F514 HydrophobicContact CD1-CE1 4.16Å; F510-F514 HydrophobicContact CD1-CE1 4.37Å; F510-F514 HydrophobicContact CD1-CZ 4.09Å; F510-F514 AromaticContact CD2-CZ 3.86Å; F510-F514 HydrophobicContact CD2-CZ 3.86Å; F510-F514 AromaticContact CE1-CE1 3.73Å; F510-F514 HydrophobicContact CE1-CE1 3.73Å; F510-F514 AromaticContact CE1-CZ 3.84Å; F510-F514 HydrophobicContact CE1-CZ 3.84Å; F510-F514 HydrophobicContact CE2-CE1 4.01Å; F510-F514 AromaticContact CE2-CZ 3.57Å; F510-F514 HydrophobicContact CE2-CZ 3.57Å; F510-F514 HydrophobicContact CG-CZ 4.11Å; F510-F514 AromaticContact CZ-CE1 3.52Å; F510-F514 HydrophobicContact CZ-CE1 3.52Å; F510-F514 AromaticContact CZ-CZ 3.56Å; F510-F514 HydrophobicContact CZ-CZ 3.56Å; G512-F514 WeakPolarHBondContact O-CD2 3.39Å; F514-S516 PolarHBondContact O-N 2.94Å; F514-S516 VanDerWaalsContact O-N 3.16Å; F514-L522 HydrophobicContact CB-CD2 4.41Å; F514-L522 HydrophobicContact CD1-CD2 4.25Å; F514-I526 HydrophobicContact CD1-CD1 3.56Å; F514-I526 HydrophobicContact CE1-CD1 3.52Å; F514-I526 HydrophobicContact CZ-CD1 4.47Å; F514-V672 PolarHBondContact N-O 2.96Å; F514-Y674 HydrophobicContact CB-CD2 3.96Å; F514-Y674 HydrophobicContact CB-CE2 4.11Å; F514-Y674 AromaticContact CD2-CD2 3.64Å; F514-Y674 HydrophobicContact CD2-CD2 3.64Å; F514-Y674 HydrophobicContact CD2-CG 4.34Å; F514-Y674 HydrophobicContact CE2-CD2 4.42Å; F514-Y674 AromaticContact CG-CD2 4Å; F514-Y674 HydrophobicContact CG-CD2 4Å; F514-F676 HydrophobicContact CD1-CE2 4.42Å; F514-F676 HydrophobicContact CD2-CE2 4.23Å; F514-F676 HydrophobicContact CE1-CD2 4.41Å; F514-F676 HydrophobicContact CE1-CE2 4.08Å; F514-F676 HydrophobicContact CE2-CD2 4.05Å; F514-F676 AromaticContact CE2-CE2 3.86Å; F514-F676 HydrophobicContact CE2-CE2 3.86Å; F514-F676 HydrophobicContact CG-CE2 4.49Å; F514-F676 AromaticContact CZ-CD2 3.81Å; F514-F676 HydrophobicContact CZ-CD2 3.81Å; F514-F676 AromaticContact CZ-CE2 3.79Å; F514-F676 HydrophobicContact CZ-CE2 3.79Å
515	N	98.6	Very high	97.2	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.032	10%	0.1	C	C	.	.			trans	47.6	41.7	-176.1	-99.7	-94.2	0	0	0	111.9	H470 F473 K481 D513 S542 Q544	H470-N515 PolarHBondContact NE2-ND2 3.23Å; F473-N515 WeakPolarHBondContact CA-OD1 3.41Å; F473-N515 WeakPolarHBondContact CD2-OD1 2.99Å; K481-N515 WeakPolarHBondContact CE-O 3.45Å; D513-N515 WeakPolarHBondContact OD1-CA 3.35Å; D513-N515 PolarHBondContact OD1-N 3.41Å; D513-N515 PolarHBondContact OD1-ND2 2.88Å; D513-N515 PolarHBondContact OD2-ND2 2.94Å; D513-N515 VanDerWaalsContact OD2-ND2 3.15Å; N515-S542 WeakPolarHBondContact O-CB 3.47Å; N515-Q544 WeakPolarHBondContact O-CG 3.35Å; N515-Q544 PolarHBondContact O-OE1 3.41Å; N515-Q544 PolarHBondContact OD1-NE2 2.8Å
516	S	97.6	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.			trans	-142.8	135.4	-174.2	179.6	0	0	0	0	110.7	F514 Y674	F514-S516 PolarHBondContact O-N 2.94Å; F514-S516 VanDerWaalsContact O-N 3.16Å; S516-Y674 WeakPolarHBondContact O-CE2 3.16Å; S516-Y674 PolarHBondContact O-OH 3.38Å
517	I	96.6	Very high	97.7	Very high	45 Å²	45	19.3 Å²	19.3	23%	0.231	10%	0.098	C	C	.	.			trans	-76.2	149.5	-179.9	-59.7	-168.7	0	0	0	110.4	L520 S542 T670 Y674	I517-L520 HydrophobicContact CB-CD2 3.73Å; I517-L520 HydrophobicContact CB-CG 4.16Å; I517-L520 HydrophobicContact CG2-CD2 3.71Å; I517-L520 WeakPolarHBondContact O-CB 3.25Å; I517-L520 PolarHBondContact O-N 2.88Å; I517-S542 PolarHBondContact N-O 3.32Å; I517-T670 WeakPolarHBondContact CD1-OG1 3.43Å; I517-Y674 VanDerWaalsContact C-OH 3.27Å
518	P	96.3	Very high	97.7	Very high	15 Å²	15	23.9 Å²	23.9	10%	0.097	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	145.4	178.4	-29.5	37.1	0	0	0	113.5	L520 H651 T671 Y674	P518-L520 VanDerWaalsContact O-CD2 3.22Å; P518-L520 WeakPolarHBondContact O-CD2 3.46Å; P518-L520 PolarHBondContact O-N 3.43Å; P518-L520 VanDerWaalsContact O-N 3.09Å; P518-H651 HydrophobicContact CB-CB 3.67Å; P518-H651 VanDerWaalsContact CB-CG 3.42Å; P518-H651 HydrophobicContact CG-CB 3.64Å; P518-T671 WeakPolarHBondContact CD-O 3.46Å; P518-T671 HydrophobicContact CG-CG2 3.52Å; P518-Y674 WeakPolarHBondContact CA-OH 3.41Å; P518-Y674 WeakPolarHBondContact CD-OH 3.36Å; P518-Y674 HydrophobicContact CG-CE1 4.2Å; P518-Y674 WeakPolarHBondContact CG-OH 3.46Å
519	H	93.7	Very high	97.6	Very high	112 Å²	112	24.4 Å²	24.4	52%	0.519	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	5.5	-178.6	-40.4	-71.6	0	0	0	116.1	Q524	H519-Q524 WeakPolarHBondContact O-CG 3.47Å; H519-Q524 PolarHBondContact O-NE2 2.85Å
520	L	95.6	Very high	97.5	Very high	48 Å²	48	28.8 Å²	28.8	25%	0.251	15%	0.152	S	C	.	.	S	Bend	trans	-76.7	164.4	168.6	-80.3	-67.9	0	0	0	111	I517 P518 L522 Y523 Q524	I517-L520 HydrophobicContact CB-CD2 3.73Å; I517-L520 HydrophobicContact CB-CG 4.16Å; I517-L520 HydrophobicContact CG2-CD2 3.71Å; I517-L520 WeakPolarHBondContact O-CB 3.25Å; I517-L520 PolarHBondContact O-N 2.88Å; P518-L520 VanDerWaalsContact O-CD2 3.22Å; P518-L520 WeakPolarHBondContact O-CD2 3.46Å; P518-L520 PolarHBondContact O-N 3.43Å; P518-L520 VanDerWaalsContact O-N 3.09Å; L520-L522 VanDerWaalsContact C-N 3.29Å; L520-L522 PolarHBondContact O-N 3.5Å; L520-L522 VanDerWaalsContact O-N 3.11Å; L520-Y523 WeakPolarHBondContact O-CB 3.44Å; L520-Y523 PolarHBondContact O-N 2.96Å; L520-Q524 WeakPolarHBondContact O-CG 3.17Å; L520-Q524 PolarHBondContact O-N 3.05Å
521	P	97.9	Very high	97.3	Very high	14 Å²	14	29.2 Å²	29.2	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-51.1	-36.8	-172.4	-29.9	35.8	0	0	0	116.1	F525 L531 M536 M540 V541	P521-F525 WeakPolarHBondContact O-CB 3.38Å; P521-F525 PolarHBondContact O-N 3.28Å; P521-L531 HydrophobicContact CB-CD1 3.88Å; P521-L531 HydrophobicContact CB-CD2 4.38Å; P521-M536 HydrophobicContact CB-CE 3.94Å; P521-M536 HydrophobicContact CB-SD 3.77Å; P521-M536 HydrophobicContact CG-CE 3.87Å; P521-M536 HydrophobicContact CG-SD 3.78Å; P521-M540 WeakPolarHBondContact CD-O 3.49Å; P521-M540 HydrophobicContact CG-CG 4.36Å; P521-M540 WeakPolarHBondContact CG-O 3.32Å; P521-V541 WeakPolarHBondContact CD-O 3.37Å
522	L	98.3	Very high	97.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-68.7	-45.4	175.9	-172.3	156	0	0	0	111.8	L471 K481 L485 F514 L520 F525 I526 V541	L471-L522 HydrophobicContact CD1-CD1 4.24Å; L471-L522 HydrophobicContact CD1-CD2 4.49Å; K481-L522 HydrophobicContact CB-CD1 3.65Å; K481-L522 HydrophobicContact CD-CD1 4.14Å; K481-L522 HydrophobicContact CG-CD1 4.47Å; L485-L522 HydrophobicContact CD2-CD1 4.49Å; L485-L522 HydrophobicContact CD2-CD2 3.94Å; L485-L522 HydrophobicContact CD2-CG 3.85Å; F514-L522 HydrophobicContact CB-CD2 4.41Å; F514-L522 HydrophobicContact CD1-CD2 4.25Å; L520-L522 VanDerWaalsContact C-N 3.29Å; L520-L522 PolarHBondContact O-N 3.5Å; L520-L522 VanDerWaalsContact O-N 3.11Å; L522-F525 WeakPolarHBondContact O-CB 3.4Å; L522-F525 PolarHBondContact O-N 3.29Å; L522-I526 HydrophobicContact CD2-CD1 3.75Å; L522-I526 WeakPolarHBondContact O-CG1 3.16Å; L522-I526 PolarHBondContact O-N 3.39Å; L522-V541 HydrophobicContact CB-CG1 4.01Å; L522-V541 WeakPolarHBondContact CB-O 3.49Å; L522-V541 HydrophobicContact CD1-CG1 4.28Å; L522-V541 PolarHBondContact N-O 3.33Å
523	Y	98.2	Very high	96.8	Very high	22 Å²	22	33.1 Å²	33.1	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-42.9	173.1	178.2	-81.8	0	0	0	111.8	L520 F525 I526 T527 S647 H651 Y674 F676	L520-Y523 WeakPolarHBondContact O-CB 3.44Å; L520-Y523 PolarHBondContact O-N 2.96Å; Y523-F525 VanDerWaalsContact C-N 3.28Å; Y523-F525 PolarHBondContact O-N 3.44Å; Y523-I526 PolarHBondContact O-N 2.94Å; Y523-T527 HydrophobicContact CD1-CG2 4.33Å; Y523-T527 HydrophobicContact CE1-CG2 3.8Å; Y523-T527 HydrophobicContact CE2-CG2 4.28Å; Y523-T527 PolarHBondContact O-N 3.39Å; Y523-T527 PolarHBondContact O-OG1 3.12Å; Y523-S647 VanDerWaalsContact OH-CB 3.25Å; Y523-S647 WeakPolarHBondContact OH-CB 3.12Å; Y523-H651 AromaticContact CE2-NE2 3.4Å; Y523-H651 WeakPolarHBondContact CE2-NE2 3.38Å; Y523-H651 AromaticContact CZ-CD2 3.99Å; Y523-H651 AromaticContact CZ-NE2 3.45Å; Y523-H651 PolarHBondContact OH-NE2 2.91Å; Y523-Y674 HydrophobicContact CD2-CD1 4.05Å; Y523-Y674 AromaticContact CD2-CE1 3.4Å; Y523-Y674 HydrophobicContact CD2-CE1 3.4Å; Y523-Y674 AromaticContact CD2-CZ 3.7Å; Y523-Y674 AromaticContact CE2-CD1 3.82Å; Y523-Y674 HydrophobicContact CE2-CD1 3.82Å; Y523-Y674 AromaticContact CE2-CE1 3.4Å; Y523-Y674 HydrophobicContact CE2-CE1 3.4Å; Y523-F676 HydrophobicContact CD2-CE1 4.08Å; Y523-F676 AromaticContact CD2-CZ 3.84Å; Y523-F676 HydrophobicContact CD2-CZ 3.84Å; Y523-F676 AromaticContact CE2-CE1 3.68Å; Y523-F676 HydrophobicContact CE2-CE1 3.68Å; Y523-F676 AromaticContact CE2-CZ 3.87Å; Y523-F676 HydrophobicContact CE2-CZ 3.87Å
524	Q	97.1	Very high	96.5	Very high	92 Å²	92	35.9 Å²	35.9	43%	0.43	19%	0.194	S	C	.	.	H	α-helix	trans	-62.8	-35.7	175.8	-70.2	-174.3	11.6	0	0	111.7	H519 L520 T527 T528	H519-Q524 WeakPolarHBondContact O-CG 3.47Å; H519-Q524 PolarHBondContact O-NE2 2.85Å; L520-Q524 WeakPolarHBondContact O-CG 3.17Å; L520-Q524 PolarHBondContact O-N 3.05Å; Q524-T527 PolarHBondContact O-N 3.41Å; Q524-T528 VanDerWaalsContact O-CB 3.32Å; Q524-T528 WeakPolarHBondContact O-CB 3.39Å; Q524-T528 WeakPolarHBondContact O-CG2 3.41Å; Q524-T528 PolarHBondContact O-N 2.79Å; Q524-T528 PolarHBondContact O-OG1 2.98Å
525	F	98.4	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-54.2	175.4	-176.6	-140.8	0	0	0	110.5	L482 L485 L489 P521 L522 Y523 T527 T528 G529 L531 L639 H641	L482-F525 HydrophobicContact CD2-CD1 4.1Å; L485-F525 HydrophobicContact CD2-CD1 3.8Å; L485-F525 HydrophobicContact CD2-CE1 4.35Å; L489-F525 HydrophobicContact CD1-CE1 3.86Å; L489-F525 HydrophobicContact CD1-CZ 4.27Å; P521-F525 WeakPolarHBondContact O-CB 3.38Å; P521-F525 PolarHBondContact O-N 3.28Å; L522-F525 WeakPolarHBondContact O-CB 3.4Å; L522-F525 PolarHBondContact O-N 3.29Å; Y523-F525 VanDerWaalsContact C-N 3.28Å; Y523-F525 PolarHBondContact O-N 3.44Å; F525-T527 VanDerWaalsContact C-N 3.28Å; F525-T527 PolarHBondContact O-N 2.96Å; F525-T528 PolarHBondContact O-N 3Å; F525-G529 WeakPolarHBondContact O-CA 3.48Å; F525-G529 PolarHBondContact O-N 3.34Å; F525-L531 HydrophobicContact CB-CB 3.84Å; F525-L531 HydrophobicContact CB-CD2 4.08Å; F525-L531 HydrophobicContact CB-CG 4.5Å; F525-L531 HydrophobicContact CD2-CB 3.57Å; F525-L531 HydrophobicContact CE2-CB 4.37Å; F525-L531 HydrophobicContact CG-CB 3.83Å; F525-L531 HydrophobicContact CG-CD2 4.37Å; F525-L639 HydrophobicContact CD2-CB 4.46Å; F525-L639 HydrophobicContact CE1-CB 4.3Å; F525-L639 HydrophobicContact CE1-CD1 4.13Å; F525-L639 HydrophobicContact CE2-CB 3.69Å; F525-L639 HydrophobicContact CZ-CB 3.6Å; F525-L639 HydrophobicContact CZ-CD1 4.23Å; F525-H641 AromaticContact CE2-CD2 3.77Å; F525-H641 AromaticContact CZ-CD2 3.82Å; F525-H641 PolarHBondContact O-NE2 2.85Å
526	I	98.4	Very high	95.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-55.5	-41.7	179.6	-62.4	170.9	0	0	0	112.1	L485 F514 L522 Y523 H641 L645 F676	L485-I526 HydrophobicContact CD1-CD1 4.04Å; L485-I526 HydrophobicContact CD1-CG1 4.05Å; L485-I526 HydrophobicContact CD2-CD1 3.97Å; L485-I526 HydrophobicContact CD2-CG1 3.68Å; L485-I526 HydrophobicContact CG-CG1 4.47Å; F514-I526 HydrophobicContact CD1-CD1 3.56Å; F514-I526 HydrophobicContact CE1-CD1 3.52Å; F514-I526 HydrophobicContact CZ-CD1 4.47Å; L522-I526 HydrophobicContact CD2-CD1 3.75Å; L522-I526 WeakPolarHBondContact O-CG1 3.16Å; L522-I526 PolarHBondContact O-N 3.39Å; Y523-I526 PolarHBondContact O-N 2.94Å; I526-H641 WeakPolarHBondContact CA-NE2 3.37Å; I526-H641 PolarHBondContact O-CE1 2.99Å; I526-H641 PolarHBondContact O-NE2 2.76Å; I526-L645 HydrophobicContact CG2-CB 4.29Å; I526-L645 HydrophobicContact CG2-CD1 3.86Å; I526-F676 HydrophobicContact CB-CZ 4.35Å; I526-F676 HydrophobicContact CD1-CE2 3.76Å; I526-F676 HydrophobicContact CD1-CZ 4.01Å; I526-F676 HydrophobicContact CG2-CD1 3.8Å; I526-F676 HydrophobicContact CG2-CD2 3.9Å; I526-F676 HydrophobicContact CG2-CE1 3.83Å; I526-F676 HydrophobicContact CG2-CE2 3.91Å; I526-F676 HydrophobicContact CG2-CG 3.84Å; I526-F676 HydrophobicContact CG2-CZ 3.88Å
527	T	96.9	Very high	95.6	Very high	43 Å²	43	45.6 Å²	45.6	26%	0.264	23%	0.234	S	C	.	.	H	α-helix	trans	-94.4	-13.3	-170.9	52.4	0	0	0	0	115.2	Y523 Q524 F525 F676	Y523-T527 HydrophobicContact CD1-CG2 4.33Å; Y523-T527 HydrophobicContact CE1-CG2 3.8Å; Y523-T527 HydrophobicContact CE2-CG2 4.28Å; Y523-T527 PolarHBondContact O-N 3.39Å; Y523-T527 PolarHBondContact O-OG1 3.12Å; Q524-T527 PolarHBondContact O-N 3.41Å; F525-T527 VanDerWaalsContact C-N 3.28Å; F525-T527 PolarHBondContact O-N 2.96Å; T527-F676 HydrophobicContact CG2-CD1 4.12Å; T527-F676 HydrophobicContact CG2-CE1 3.68Å
528	T	96.3	Very high	95.6	Very high	96 Å²	96	43.9 Å²	43.9	59%	0.589	23%	0.225	S	C	*	.	H	α-helix	trans	-112.8	-14.8	175.1	70	0	0	0	0	113.5	Q524 F525 E530	Q524-T528 VanDerWaalsContact O-CB 3.32Å; Q524-T528 WeakPolarHBondContact O-CB 3.39Å; Q524-T528 WeakPolarHBondContact O-CG2 3.41Å; Q524-T528 PolarHBondContact O-N 2.79Å; Q524-T528 PolarHBondContact O-OG1 2.98Å; F525-T528 PolarHBondContact O-N 3Å; T528-E530 VanDerWaalsContact C-N 3.25Å; T528-E530 PolarHBondContact O-N 2.99Å; T528-E530 PolarHBondContact OG1-N 2.65Å; T528-E530 PolarHBondContact OG1-O 3.21Å; T528-E530 VanDerWaalsContact OG1-O 3.11Å
529	G	96.5	Very high	95.4	Very high	14 Å²	14	44 Å²	44	14%	0.144	22%	0.224	C	C	.	.	S	Bend	trans	74.3	7	-176.8	0	0	0	0	0	114.9	F525 K640 H641	F525-G529 WeakPolarHBondContact O-CA 3.48Å; F525-G529 PolarHBondContact O-N 3.34Å; G529-K640 CarbonylContact O-C 3.57Å; G529-K640 WeakPolarHBondContact O-CA 3.34Å; G529-H641 PolarHBondContact O-N 3.27Å
530	E	96.3	Very high	95.5	Very high	91 Å²	91	42.3 Å²	42.3	43%	0.425	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	136.9	-178.7	-177	157.7	-173.6	0	0	112.7	T528 C638 L639 K640	T528-E530 VanDerWaalsContact C-N 3.25Å; T528-E530 PolarHBondContact O-N 2.99Å; T528-E530 PolarHBondContact OG1-N 2.65Å; T528-E530 PolarHBondContact OG1-O 3.21Å; T528-E530 VanDerWaalsContact OG1-O 3.11Å; E530-C638 WeakPolarHBondContact CG-SG 3.17Å; E530-C638 PolarHBondContact OE1-SG 3.35Å; E530-L639 CarbonylContact C-O 3.58Å; E530-L639 WeakPolarHBondContact CA-O 3.46Å; E530-K640 HydrophobicContact CB-CG 4.45Å; E530-K640 VanDerWaalsContact CD-CE 3.41Å; E530-K640 HydrophobicContact CG-CG 4.18Å; E530-K640 WeakPolarHBondContact OE1-CE 3.37Å; E530-K640 IonicContact OE1-NZ 2.8Å; E530-K640 PolarHBondContact OE1-NZ 2.87Å; E530-K640 WeakPolarHBondContact OE2-CE 3.34Å; E530-K640 IonicContact OE2-NZ 2.93Å; E530-K640 PolarHBondContact OE2-NZ 3.05Å
531	L	95.9	Very high	95.6	Very high	10 Å²	10	40 Å²	40	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	112	176.7	174.1	62.6	0	0	0	112.3	L482 P521 F525 M536 C638 L639	L482-L531 HydrophobicContact CD1-CD2 4.12Å; L482-L531 HydrophobicContact CD2-CD2 3.74Å; P521-L531 HydrophobicContact CB-CD1 3.88Å; P521-L531 HydrophobicContact CB-CD2 4.38Å; F525-L531 HydrophobicContact CB-CB 3.84Å; F525-L531 HydrophobicContact CB-CD2 4.08Å; F525-L531 HydrophobicContact CB-CG 4.5Å; F525-L531 HydrophobicContact CD2-CB 3.57Å; F525-L531 HydrophobicContact CE2-CB 4.37Å; F525-L531 HydrophobicContact CG-CB 3.83Å; F525-L531 HydrophobicContact CG-CD2 4.37Å; L531-M536 HydrophobicContact CD1-CE 4.09Å; L531-C638 CarbonylContact O-C 3.51Å; L531-C638 VanDerWaalsContact O-CA 3.26Å; L531-C638 WeakPolarHBondContact O-CA 3.41Å; L531-C638 PolarHBondContact O-SG 3.4Å; L531-C638 VanDerWaalsContact O-SG 3.39Å; L531-L639 PolarHBondContact N-O 2.72Å; L531-L639 PolarHBondContact O-N 3.35Å
532	S	94.3	Very high	95.5	Very high	81 Å²	81	39.3 Å²	39.3	57%	0.566	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.6	167.6	-175.7	0	0	0	0	110.2	C638	S532-C638 PolarHBondContact N-SG 3.44Å
533	Y	93.4	Very high	95.4	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.21	C	C	.	.			trans	-116.7	-7.7	-168.7	64.8	-93	0	0	0	114.3	R535 M536 L556 A558 L560 D637 L639	Y533-R535 PolarHBondContact O-N 3.44Å; Y533-R535 VanDerWaalsContact O-N 3.16Å; Y533-M536 WeakPolarHBondContact O-CB 3.41Å; Y533-M536 PolarHBondContact O-N 3.2Å; Y533-L556 HydrophobicContact CD2-CB 3.86Å; Y533-L556 HydrophobicContact CD2-CD1 4.47Å; Y533-A558 HydrophobicContact CE2-CB 4.14Å; Y533-A558 WeakPolarHBondContact OH-CA 3.37Å; Y533-A558 WeakPolarHBondContact OH-CB 3.5Å; Y533-L560 HydrophobicContact CE2-CB 3.86Å; Y533-L560 PolarHBondContact OH-N 2.99Å; Y533-D637 PolarHBondContact N-O 2.85Å; Y533-D637 VanDerWaalsContact N-O 3.1Å; Y533-L639 HydrophobicContact CD1-CD2 4.43Å; Y533-L639 HydrophobicContact CD1-CG 3.8Å; Y533-L639 HydrophobicContact CE1-CD2 3.8Å; Y533-L639 HydrophobicContact CE1-CG 3.67Å
534	Q	90.9	Very high	95.1	Very high	61 Å²	61	41.4 Å²	41.4	29%	0.285	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	116.5	-171.4	-179.5	66.6	-63.9	0	0	113	M536 D637	Q534-M536 VanDerWaalsContact C-N 3.28Å; Q534-M536 PolarHBondContact O-N 2.94Å; Q534-D637 HydrophobicContact CB-CB 3.74Å; Q534-D637 VanDerWaalsContact CD-OD1 3.3Å; Q534-D637 HydrophobicContact CG-CB 4.25Å; Q534-D637 WeakPolarHBondContact CG-OD1 3.49Å; Q534-D637 PolarHBondContact NE2-OD1 3.4Å
535	R	89.8	Confident	94.9	Very high	167 Å²	167	40.9 Å²	40.9	63%	0.63	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	9.9	-173.5	-57.3	179.4	-64.5	179.2	0.4	116.4	Y533 R555 L556 F557	Y533-R535 PolarHBondContact O-N 3.44Å; Y533-R535 VanDerWaalsContact O-N 3.16Å; R535-R555 WeakPolarHBondContact O-CD 3.07Å; R535-R555 PolarHBondContact O-NH1 2.9Å; R535-L556 VanDerWaalsContact CA-O 3.31Å; R535-L556 WeakPolarHBondContact CA-O 3.45Å; R535-L556 PolarHBondContact N-O 2.76Å; R535-F557 HydrophobicContact CG-CD1 4.25Å; R535-F557 HydrophobicContact CG-CE1 3.68Å; R535-F557 HydrophobicContact CG-CZ 4.29Å
536	M	92.8	Very high	94.5	Very high	33 Å²	33	45.6 Å²	45.6	16%	0.163	24%	0.239	C	C	.	.			trans	-60	139.6	172.5	-176.8	175.4	-73.3	0	0	110.7	P521 L531 Y533 Q534 T538 M540 V541 R555 L556	P521-M536 HydrophobicContact CB-CE 3.94Å; P521-M536 HydrophobicContact CB-SD 3.77Å; P521-M536 HydrophobicContact CG-CE 3.87Å; P521-M536 HydrophobicContact CG-SD 3.78Å; L531-M536 HydrophobicContact CD1-CE 4.09Å; Y533-M536 WeakPolarHBondContact O-CB 3.41Å; Y533-M536 PolarHBondContact O-N 3.2Å; Q534-M536 VanDerWaalsContact C-N 3.28Å; Q534-M536 PolarHBondContact O-N 2.94Å; M536-T538 PolarHBondContact O-N 3.08Å; M536-M540 HydrophobicContact CG-CB 4.41Å; M536-M540 HydrophobicContact CG-SD 4.44Å; M536-V541 HydrophobicContact SD-CG2 4.12Å; M536-R555 CarbonylContact O-C 3.55Å; M536-R555 VanDerWaalsContact O-CA 3.25Å; M536-R555 WeakPolarHBondContact O-CA 3.47Å; M536-L556 HydrophobicContact CB-CD1 4.41Å; M536-L556 PolarHBondContact O-N 2.86Å
537	P	94.9	Very high	94	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.071	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-63.1	132.7	171	-16.6	29.5	0	0	0	111.3	W539 M540 Y553	P537-W539 HydrophobicContact CB-CD2 4.19Å; P537-W539 HydrophobicContact CB-CG 4.27Å; P537-W539 HydrophobicContact CB-CZ2 4.08Å; P537-W539 HydrophobicContact CG-CZ2 4.22Å; P537-W539 PolarHBondContact O-N 3.2Å; P537-M540 HydrophobicContact CB-CB 3.95Å; P537-M540 HydrophobicContact CG-CB 4.09Å; P537-M540 HydrophobicContact CG-CE 4.16Å; P537-M540 HydrophobicContact CG-SD 4.23Å; P537-M540 WeakPolarHBondContact O-CB 3.39Å; P537-M540 PolarHBondContact O-N 2.88Å; P537-Y553 HydrophobicContact CB-CD2 3.71Å; P537-Y553 HydrophobicContact CB-CE2 3.68Å; P537-Y553 HydrophobicContact CG-CD2 4.26Å; P537-Y553 HydrophobicContact CG-CE2 3.69Å
538	T	94.9	Very high	93.5	Very high	8 Å²	8	46.9 Å²	46.9	5%	0.049	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.8	176.9	37.4	0	0	0	0	114.2	R476 G478 D479 M536 V541 H554 L556	R476-T538 WeakPolarHBondContact O-CB 3.5Å; G478-T538 VanDerWaalsContact CA-O 3.28Å; G478-T538 WeakPolarHBondContact CA-O 3.22Å; G478-T538 PolarHBondContact N-O 3.33Å; D479-T538 HydrophobicContact CB-CG2 4.42Å; M536-T538 PolarHBondContact O-N 3.08Å; T538-V541 WeakPolarHBondContact O-CG2 3.45Å; T538-H554 WeakPolarHBondContact CB-O 3.2Å; T538-H554 HydrophobicContact CG2-CB 3.72Å; T538-H554 WeakPolarHBondContact CG2-O 2.98Å; T538-H554 PolarHBondContact N-O 3.29Å; T538-H554 PolarHBondContact OG1-O 3.22Å; T538-L556 HydrophobicContact CG2-CD2 3.62Å; T538-L556 HydrophobicContact CG2-CG 4.43Å
539	W	93.9	Very high	93	Very high	19 Å²	19	50.1 Å²	50.1	7%	0.072	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-27.5	178.8	60.2	-99.6	0	0	0	113.8	P475 P537 V541 G543 E545 D546 L547 S548 Y553	P475-W539 VanDerWaalsContact O-CA 3.31Å; P475-W539 WeakPolarHBondContact O-CA 3.43Å; P537-W539 HydrophobicContact CB-CD2 4.19Å; P537-W539 HydrophobicContact CB-CG 4.27Å; P537-W539 HydrophobicContact CB-CZ2 4.08Å; P537-W539 HydrophobicContact CG-CZ2 4.22Å; P537-W539 PolarHBondContact O-N 3.2Å; W539-V541 PolarHBondContact O-N 3.41Å; W539-G543 PolarHBondContact O-N 2.97Å; W539-E545 VanDerWaalsContact CE3-O 3.26Å; W539-D546 WeakPolarHBondContact CH2-OD1 3.44Å; W539-D546 HydrophobicContact CZ3-CB 4.49Å; W539-D546 WeakPolarHBondContact CZ3-OD1 3.4Å; W539-L547 HydrophobicContact CB-CB 4.27Å; W539-L547 HydrophobicContact CB-CD1 4.16Å; W539-L547 HydrophobicContact CB-CG 4.4Å; W539-L547 HydrophobicContact CD2-CB 3.88Å; W539-L547 HydrophobicContact CG-CB 3.73Å; W539-L547 HydrophobicContact CG-CD1 4.45Å; W539-L547 HydrophobicContact CG-CG 4.37Å; W539-S548 VanDerWaalsContact CZ2-N 3.3Å; W539-Y553 AromaticContact NE1-CD1 3.68Å; W539-Y553 AromaticContact NE1-CD2 3.93Å; W539-Y553 AromaticContact NE1-CG 3.53Å
540	M	95.4	Very high	92.4	Very high	75 Å²	75	52.3 Å²	52.3	37%	0.369	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.6	-178.3	-179.3	174	-79.4	0	0	111.9	P521 M536 P537 S542	P521-M540 WeakPolarHBondContact CD-O 3.49Å; P521-M540 HydrophobicContact CG-CG 4.36Å; P521-M540 WeakPolarHBondContact CG-O 3.32Å; M536-M540 HydrophobicContact CG-CB 4.41Å; M536-M540 HydrophobicContact CG-SD 4.44Å; P537-M540 HydrophobicContact CB-CB 3.95Å; P537-M540 HydrophobicContact CG-CB 4.09Å; P537-M540 HydrophobicContact CG-CE 4.16Å; P537-M540 HydrophobicContact CG-SD 4.23Å; P537-M540 WeakPolarHBondContact O-CB 3.39Å; P537-M540 PolarHBondContact O-N 2.88Å; M540-S542 PolarHBondContact O-N 3.07Å
541	V	97	Very high	91.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-48.1	-177.2	174.4	0	0	0	0	112.8	L482 P521 L522 M536 T538 W539 L556	L482-V541 HydrophobicContact CD1-CG1 3.89Å; L482-V541 HydrophobicContact CD1-CG2 4.16Å; L482-V541 HydrophobicContact CD2-CG1 4.24Å; L482-V541 HydrophobicContact CG-CG1 3.77Å; P521-V541 WeakPolarHBondContact CD-O 3.37Å; L522-V541 HydrophobicContact CB-CG1 4.01Å; L522-V541 WeakPolarHBondContact CB-O 3.49Å; L522-V541 HydrophobicContact CD1-CG1 4.28Å; L522-V541 PolarHBondContact N-O 3.33Å; M536-V541 HydrophobicContact SD-CG2 4.12Å; T538-V541 WeakPolarHBondContact O-CG2 3.45Å; W539-V541 PolarHBondContact O-N 3.41Å; V541-L556 HydrophobicContact CG2-CD1 3.77Å
542	S	96.7	Very high	90.2	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-25	176.5	53.7	0	0	0	0	113.6	N515 I517 M540 Q544	N515-S542 WeakPolarHBondContact O-CB 3.47Å; I517-S542 PolarHBondContact N-O 3.32Å; M540-S542 PolarHBondContact O-N 3.07Å; S542-Q544 PolarHBondContact O-N 2.86Å; S542-Q544 VanDerWaalsContact O-N 3.16Å; S542-Q544 PolarHBondContact OG-OE1 3.06Å
543	G	94.7	Very high	89.5	Confident	19 Å²	19	58.9 Å²	58.9	20%	0.196	30%	0.3	C	S	.	.			trans	66.6	9.2	176.5	0	0	0	0	0	116.3	W539 E545	W539-G543 PolarHBondContact O-N 2.97Å; G543-E545 PolarHBondContact O-N 3.47Å
544	Q	93.5	Very high	89.3	Confident	47 Å²	47	65.4 Å²	65.4	22%	0.22	33%	0.33	C	S	.	.	S	Bend	trans	-52.6	-39.6	175.6	-67.5	161	-79.9	0	0	112.8	F473 P475 K481 N515 S542	F473-Q544 PolarHBondContact O-NE2 3Å; F473-Q544 PolarHBondContact O-OE1 3.12Å; P475-Q544 HydrophobicContact CB-CB 3.82Å; K481-Q544 VanDerWaalsContact CE-OE1 3.31Å; N515-Q544 WeakPolarHBondContact O-CG 3.35Å; N515-Q544 PolarHBondContact O-OE1 3.41Å; N515-Q544 PolarHBondContact OD1-NE2 2.8Å; S542-Q544 PolarHBondContact O-N 2.86Å; S542-Q544 VanDerWaalsContact O-N 3.16Å; S542-Q544 PolarHBondContact OG-OE1 3.06Å
545	E	91.7	Very high	89.4	Confident	81 Å²	81	67.6 Å²	67.6	38%	0.379	34%	0.336	S	S	.	.	S	Bend	trans	-123.1	131.7	172.6	-69.8	179.6	-162.4	0	0	109.6	P475 W539 G543 L547	P475-E545 HydrophobicContact CB-CB 4.29Å; P475-E545 HydrophobicContact CB-CG 4.03Å; P475-E545 VanDerWaalsContact CG-CD 3.45Å; P475-E545 HydrophobicContact CG-CG 3.84Å; P475-E545 WeakPolarHBondContact CG-OE1 3.46Å; W539-E545 VanDerWaalsContact CE3-O 3.26Å; G543-E545 PolarHBondContact O-N 3.47Å; E545-L547 HydrophobicContact CB-CD1 4.49Å; E545-L547 HydrophobicContact CB-CD2 4.05Å; E545-L547 HydrophobicContact CB-CG 3.91Å; E545-L547 PolarHBondContact O-N 2.83Å; E545-L547 WeakPolarHBondContact OE2-CD1 3.5Å; E545-L547 VanDerWaalsContact OE2-CD2 3.23Å; E545-L547 WeakPolarHBondContact OE2-CD2 3.49Å; E545-L547 WeakPolarHBondContact OE2-CG 3.13Å
546	D	89.5	Confident	89.5	Confident	99 Å²	99	59.9 Å²	59.9	53%	0.529	31%	0.306	S	S	.	.			trans	-77.1	108.7	160.9	177.8	14.9	0	0	0	109.6	W539 S548 Y549	W539-D546 WeakPolarHBondContact CH2-OD1 3.44Å; W539-D546 HydrophobicContact CZ3-CB 4.49Å; W539-D546 WeakPolarHBondContact CZ3-OD1 3.4Å; D546-S548 VanDerWaalsContact CG-OG 3.27Å; D546-S548 WeakPolarHBondContact OD1-CB 3.39Å; D546-S548 PolarHBondContact OD1-N 3.01Å; D546-S548 PolarHBondContact OD1-OG 2.72Å; D546-S548 PolarHBondContact OD2-OG 3.12Å; D546-S548 VanDerWaalsContact OD2-OG 3.06Å; D546-Y549 WeakPolarHBondContact O-CD1 3.2Å; D546-Y549 WeakPolarHBondContact O-CE1 3.35Å
547	L	88.6	Confident	89.4	Confident	4 Å²	4	64 Å²	64	2%	0.021	32%	0.324	C	S	.	.			trans	-108.6	21.3	176.6	-61.8	-173.4	0	0	0	113.6	R476 W539 E545 Y549 K550	R476-L547 HydrophobicContact CG-CD1 3.68Å; W539-L547 HydrophobicContact CB-CB 4.27Å; W539-L547 HydrophobicContact CB-CD1 4.16Å; W539-L547 HydrophobicContact CB-CG 4.4Å; W539-L547 HydrophobicContact CD2-CB 3.88Å; W539-L547 HydrophobicContact CG-CB 3.73Å; W539-L547 HydrophobicContact CG-CD1 4.45Å; W539-L547 HydrophobicContact CG-CG 4.37Å; E545-L547 HydrophobicContact CB-CD1 4.49Å; E545-L547 HydrophobicContact CB-CD2 4.05Å; E545-L547 HydrophobicContact CB-CG 3.91Å; E545-L547 PolarHBondContact O-N 2.83Å; E545-L547 WeakPolarHBondContact OE2-CD1 3.5Å; E545-L547 VanDerWaalsContact OE2-CD2 3.23Å; E545-L547 WeakPolarHBondContact OE2-CD2 3.49Å; E545-L547 WeakPolarHBondContact OE2-CG 3.13Å; L547-Y549 HydrophobicContact CD2-CE1 3.76Å; L547-Y549 PolarHBondContact O-N 3.17Å; L547-K550 HydrophobicContact CB-CD 4.24Å; L547-K550 HydrophobicContact CD1-CD 4.16Å; L547-K550 HydrophobicContact CD2-CD 3.85Å; L547-K550 HydrophobicContact CD2-CG 4.5Å; L547-K550 HydrophobicContact CG-CD 4.32Å; L547-K550 PolarHBondContact O-N 2.75Å; L547-K550 VanDerWaalsContact O-N 3.09Å
548	S	87.4	Confident	89	Confident	67 Å²	67	64.2 Å²	64.2	47%	0.469	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.2	174.4	63.5	0	0	0	0	113.4	W539 D546 K550	W539-S548 VanDerWaalsContact CZ2-N 3.3Å; D546-S548 VanDerWaalsContact CG-OG 3.27Å; D546-S548 WeakPolarHBondContact OD1-CB 3.39Å; D546-S548 PolarHBondContact OD1-N 3.01Å; D546-S548 PolarHBondContact OD1-OG 2.72Å; D546-S548 PolarHBondContact OD2-OG 3.12Å; D546-S548 VanDerWaalsContact OD2-OG 3.06Å; S548-K550 VanDerWaalsContact C-N 3.31Å; S548-K550 PolarHBondContact O-N 3.37Å
549	Y	85.8	Confident	88.7	Confident	164 Å²	164	67.9 Å²	67.9	64%	0.643	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.8	177.8	70.4	-95.9	0	0	0	114.4	D546 L547	D546-Y549 WeakPolarHBondContact O-CD1 3.2Å; D546-Y549 WeakPolarHBondContact O-CE1 3.35Å; L547-Y549 HydrophobicContact CD2-CE1 3.76Å; L547-Y549 PolarHBondContact O-N 3.17Å
550	K	84	Confident	88.5	Confident	61 Å²	61	67.9 Å²	67.9	27%	0.265	35%	0.352	S	S	.	.	S	Bend	trans	-78	128.5	-178.9	-70.2	-179	176.9	154	0	109.5	L547 S548 S552	L547-K550 HydrophobicContact CB-CD 4.24Å; L547-K550 HydrophobicContact CD1-CD 4.16Å; L547-K550 HydrophobicContact CD2-CD 3.85Å; L547-K550 HydrophobicContact CD2-CG 4.5Å; L547-K550 HydrophobicContact CG-CD 4.32Å; L547-K550 PolarHBondContact O-N 2.75Å; L547-K550 VanDerWaalsContact O-N 3.09Å; S548-K550 VanDerWaalsContact C-N 3.31Å; S548-K550 PolarHBondContact O-N 3.37Å; K550-S552 PolarHBondContact O-N 2.67Å; K550-S552 VanDerWaalsContact O-N 3.07Å
551	P	70.5	Confident	88.4	Confident	141 Å²	141	65 Å²	65	92%	0.916	34%	0.337	S	S	*	.	S	Bend	trans	-66.5	-16.4	-170.4	26.4	-35.8	0	0	0	114
552	S	74.6	Confident	88.1	Confident	101 Å²	101	67.1 Å²	67.1	71%	0.706	35%	0.351	S	S	*	.			trans	-138.9	136.1	170.5	60.8	0	0	0	0	110.6	K550	K550-S552 PolarHBondContact O-N 2.67Å; K550-S552 VanDerWaalsContact O-N 3.07Å
553	Y	80.2	Confident	87.7	Confident	78 Å²	78	72.3 Å²	72.3	31%	0.306	39%	0.387	S	S	.	.			trans	-143	146.9	170.7	48.4	-104.3	0	0	0	109.9	P537 W539 R555	P537-Y553 HydrophobicContact CB-CD2 3.71Å; P537-Y553 HydrophobicContact CB-CE2 3.68Å; P537-Y553 HydrophobicContact CG-CD2 4.26Å; P537-Y553 HydrophobicContact CG-CE2 3.69Å; W539-Y553 AromaticContact NE1-CD1 3.68Å; W539-Y553 AromaticContact NE1-CD2 3.93Å; W539-Y553 AromaticContact NE1-CG 3.53Å; Y553-R555 HydrophobicContact CD2-CG 4.3Å; Y553-R555 HydrophobicContact CE2-CG 4.22Å; Y553-R555 VanDerWaalsContact CE2-CZ 3.5Å; Y553-R555 PolarHBondContact OH-NH2 3.02Å
554	H	88.4	Confident	87.4	Confident	137 Å²	137	75 Å²	75	63%	0.634	40%	0.403	S	S	*	.			trans	-65.5	140.2	176.3	-62.8	104.8	0	0	0	110.1	T538	T538-H554 WeakPolarHBondContact CB-O 3.2Å; T538-H554 HydrophobicContact CG2-CB 3.72Å; T538-H554 WeakPolarHBondContact CG2-O 2.98Å; T538-H554 PolarHBondContact N-O 3.29Å; T538-H554 PolarHBondContact OG1-O 3.22Å
555	R	92.3	Very high	87.4	Confident	108 Å²	108	73.9 Å²	73.9	41%	0.408	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-111.9	144.9	175	-66.5	-178.8	-176.5	-79.4	-6.2	109.6	R535 M536 Y553 F557	R535-R555 WeakPolarHBondContact O-CD 3.07Å; R535-R555 PolarHBondContact O-NH1 2.9Å; M536-R555 CarbonylContact O-C 3.55Å; M536-R555 VanDerWaalsContact O-CA 3.25Å; M536-R555 WeakPolarHBondContact O-CA 3.47Å; Y553-R555 HydrophobicContact CD2-CG 4.3Å; Y553-R555 HydrophobicContact CE2-CG 4.22Å; Y553-R555 VanDerWaalsContact CE2-CZ 3.5Å; Y553-R555 PolarHBondContact OH-NH2 3.02Å; R555-F557 HydrophobicContact CB-CD2 4.48Å; R555-F557 HydrophobicContact CB-CE2 3.81Å; R555-F557 HydrophobicContact CB-CZ 4.2Å; R555-F557 VanDerWaalsContact O-CD2 3.25Å; R555-F557 WeakPolarHBondContact O-CD2 3.39Å
556	L	93.1	Very high	87.5	Confident	4 Å²	4	70.2 Å²	70.2	2%	0.021	38%	0.382	C	S	.	.			trans	-73.1	142.3	172.6	-52.8	-177.9	0	0	0	110.1	D479 L482 Y533 R535 M536 T538 V541 L560	D479-L556 HydrophobicContact CB-CD2 3.74Å; L482-L556 HydrophobicContact CD1-CD1 3.77Å; Y533-L556 HydrophobicContact CD2-CB 3.86Å; Y533-L556 HydrophobicContact CD2-CD1 4.47Å; R535-L556 VanDerWaalsContact CA-O 3.31Å; R535-L556 WeakPolarHBondContact CA-O 3.45Å; R535-L556 PolarHBondContact N-O 2.76Å; M536-L556 HydrophobicContact CB-CD1 4.41Å; M536-L556 PolarHBondContact O-N 2.86Å; T538-L556 HydrophobicContact CG2-CD2 3.62Å; T538-L556 HydrophobicContact CG2-CG 4.43Å; V541-L556 HydrophobicContact CG2-CD1 3.77Å; L556-L560 HydrophobicContact CB-CD1 4.43Å; L556-L560 HydrophobicContact CD2-CD1 3.85Å
557	F	89.8	Confident	87.7	Confident	120 Å²	120	65.9 Å²	65.9	53%	0.526	36%	0.359	S	S	.	.			trans	-137.9	148.3	175.1	-68	-85.9	0	0	0	110	R535 R555 P559 L560	R535-F557 HydrophobicContact CG-CD1 4.25Å; R535-F557 HydrophobicContact CG-CE1 3.68Å; R535-F557 HydrophobicContact CG-CZ 4.29Å; R555-F557 HydrophobicContact CB-CD2 4.48Å; R555-F557 HydrophobicContact CB-CE2 3.81Å; R555-F557 HydrophobicContact CB-CZ 4.2Å; R555-F557 VanDerWaalsContact O-CD2 3.25Å; R555-F557 WeakPolarHBondContact O-CD2 3.39Å; F557-P559 CarbonylContact O-C 3.3Å; F557-P559 VanDerWaalsContact O-C 3.3Å; F557-L560 PolarHBondContact O-N 3Å
558	A	86.6	Confident	88	Confident	15 Å²	15	67.2 Å²	67.2	12%	0.124	37%	0.368	C	S	.	.	S	Bend	trans	-81.9	140.6	176.4	0	0	0	0	0	111.8	Y533 F635	Y533-A558 HydrophobicContact CE2-CB 4.14Å; Y533-A558 WeakPolarHBondContact OH-CA 3.37Å; Y533-A558 WeakPolarHBondContact OH-CB 3.5Å; A558-F635 HydrophobicContact CB-CB 4.41Å; A558-F635 HydrophobicContact CB-CD1 4.47Å; A558-F635 WeakPolarHBondContact O-CD1 3.28Å
559	P	88	Confident	88.2	Confident	86 Å²	86	65.9 Å²	65.9	56%	0.558	36%	0.356	S	S	*	.	S	Bend	cis	-73.8	142.3	-8.6	32.6	-35.1	0	0	0	111.6	F557 W561	F557-P559 CarbonylContact O-C 3.3Å; F557-P559 VanDerWaalsContact O-C 3.3Å; P559-W561 VanDerWaalsContact C-N 3.34Å; P559-W561 PolarHBondContact O-N 2.99Å
560	L	91.2	Very high	88.7	Confident	19 Å²	19	59.7 Å²	59.7	10%	0.099	34%	0.335	C	S	.	.	S	Bend	trans	-67.6	-32.2	-176	-178.6	57.1	0	0	0	113.4	L435 D479 L482 Y533 L556 F557 L639	L435-L560 WeakPolarHBondContact CD2-O 3.37Å; D479-L560 HydrophobicContact CB-CD1 4.34Å; L482-L560 HydrophobicContact CB-CD2 3.76Å; L482-L560 HydrophobicContact CD1-CD2 3.93Å; Y533-L560 HydrophobicContact CE2-CB 3.86Å; Y533-L560 PolarHBondContact OH-N 2.99Å; L556-L560 HydrophobicContact CB-CD1 4.43Å; L556-L560 HydrophobicContact CD2-CD1 3.85Å; F557-L560 PolarHBondContact O-N 3Å; L560-L639 HydrophobicContact CD2-CD1 4.01Å
561	W	93.1	Very high	89.3	Confident	13 Å²	13	56.9 Å²	56.9	5%	0.049	32%	0.323	C	S	.	.	S	Bend	trans	-134.2	154	178.5	50.2	73.1	0	0	0	110.8	L435 A483 A486 P559 L565 I567 L639	L435-W561 HydrophobicContact CD2-CB 3.73Å; A483-W561 HydrophobicContact CB-CE3 3.96Å; A483-W561 HydrophobicContact CB-CZ3 4.47Å; A486-W561 HydrophobicContact CB-CH2 3.27Å; A486-W561 HydrophobicContact CB-CZ2 3.88Å; A486-W561 HydrophobicContact CB-CZ3 3.65Å; P559-W561 VanDerWaalsContact C-N 3.34Å; P559-W561 PolarHBondContact O-N 2.99Å; W561-L565 HydrophobicContact CB-CD2 3.84Å; W561-L565 HydrophobicContact CD2-CD2 4.11Å; W561-L565 HydrophobicContact CG-CD2 3.66Å; W561-I567 HydrophobicContact CZ2-CG2 4.07Å; W561-I567 PolarHBondContact NE1-O 3.31Å; W561-L639 HydrophobicContact CH2-CD1 3.93Å; W561-L639 HydrophobicContact CH2-CD2 3.49Å; W561-L639 VanDerWaalsContact CH2-CD2 3.49Å; W561-L639 HydrophobicContact CH2-CG 4.35Å; W561-L639 HydrophobicContact CZ2-CD2 3.99Å; W561-L639 HydrophobicContact CZ3-CD1 4.03Å; W561-L639 HydrophobicContact CZ3-CD2 4.08Å
562	P	90.6	Very high	90.5	Very high	46 Å²	46	51.4 Å²	51.4	30%	0.299	29%	0.285	S	S	.	.			trans	-69	151.7	177.6	29.7	-35.7	0	0	0	111.5	T433 S564 L565	T433-P562 HydrophobicContact CG2-CG 3.99Å; P562-S564 WeakPolarHBondContact CG-OG 3.5Å; P562-S564 PolarHBondContact O-N 3.16Å; P562-S564 VanDerWaalsContact O-N 3.09Å; P562-L565 WeakPolarHBondContact O-CB 3.39Å; P562-L565 PolarHBondContact O-N 3.3Å
563	S	88.2	Confident	91.5	Very high	108 Å²	108	51.1 Å²	51.1	76%	0.755	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-61.4	-18	177	53.2	0	0	0	0	113.9	L565 G566	S563-L565 PolarHBondContact O-N 2.96Å; S563-G566 PolarHBondContact O-N 3.23Å; S563-G566 VanDerWaalsContact O-N 3.12Å
564	S	88.7	Confident	92	Very high	76 Å²	76	50 Å²	50	53%	0.531	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-63.6	-18.1	171.5	53.8	0	0	0	0	114	P562 G566	P562-S564 WeakPolarHBondContact CG-OG 3.5Å; P562-S564 PolarHBondContact O-N 3.16Å; P562-S564 VanDerWaalsContact O-N 3.09Å; S564-G566 PolarHBondContact O-N 3.37Å
565	L	92.2	Very high	91.2	Very high	24 Å²	24	49.8 Å²	49.8	13%	0.126	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-67.8	-18.6	172.1	-176.2	55.7	0	0	0	112.7	R430 T433 L436 I487 W561 P562 S563 I567	R430-L565 HydrophobicContact CG-CD1 4.26Å; T433-L565 HydrophobicContact CG2-CB 4.48Å; L436-L565 HydrophobicContact CD1-CD1 3.5Å; L436-L565 VanDerWaalsContact CD1-CD1 3.5Å; L436-L565 HydrophobicContact CD1-CD2 3.86Å; L436-L565 HydrophobicContact CD1-CG 4.33Å; I487-L565 HydrophobicContact CD1-CD1 4.4Å; W561-L565 HydrophobicContact CB-CD2 3.84Å; W561-L565 HydrophobicContact CD2-CD2 4.11Å; W561-L565 HydrophobicContact CG-CD2 3.66Å; P562-L565 WeakPolarHBondContact O-CB 3.39Å; P562-L565 PolarHBondContact O-N 3.3Å; S563-L565 PolarHBondContact O-N 2.96Å; L565-I567 VanDerWaalsContact C-N 3.27Å; L565-I567 HydrophobicContact CD2-CD1 4.45Å; L565-I567 HydrophobicContact CG-CB 4.35Å; L565-I567 HydrophobicContact CG-CD1 4.18Å; L565-I567 HydrophobicContact CG-CG1 4.34Å; L565-I567 PolarHBondContact O-N 3.19Å
566	G	93.9	Very high	89.3	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.031	28%	0.279	C	S	.	.			trans	71.3	17.8	179.3	0	0	0	0	0	114.5	S563 S564 Y573 T574	S563-G566 PolarHBondContact O-N 3.23Å; S563-G566 VanDerWaalsContact O-N 3.12Å; S564-G566 PolarHBondContact O-N 3.37Å; G566-Y573 CarbonylContact O-C 3.41Å; G566-Y573 WeakPolarHBondContact O-CA 3.14Å; G566-T574 WeakPolarHBondContact CA-OG1 3.47Å; G566-T574 PolarHBondContact O-N 3.11Å; G566-T574 PolarHBondContact O-OG1 3.45Å
567	I	95.1	Very high	87.3	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.046	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-123.1	132.7	-179.5	-64.5	174.3	0	0	0	110	A486 I487 A490 W561 L565 Q572 Y573	A486-I567 HydrophobicContact CB-CG2 4.35Å; I487-I567 HydrophobicContact CB-CD1 4.12Å; I487-I567 HydrophobicContact CG1-CD1 3.48Å; I487-I567 VanDerWaalsContact CG1-CD1 3.48Å; A490-I567 HydrophobicContact CB-CD1 4.14Å; A490-I567 HydrophobicContact CB-CG1 4.25Å; A490-I567 HydrophobicContact CB-CG2 4.42Å; W561-I567 HydrophobicContact CZ2-CG2 4.07Å; W561-I567 PolarHBondContact NE1-O 3.31Å; L565-I567 VanDerWaalsContact C-N 3.27Å; L565-I567 HydrophobicContact CD2-CD1 4.45Å; L565-I567 HydrophobicContact CG-CB 4.35Å; L565-I567 HydrophobicContact CG-CD1 4.18Å; L565-I567 HydrophobicContact CG-CG1 4.34Å; L565-I567 PolarHBondContact O-N 3.19Å; I567-Q572 WeakPolarHBondContact CA-O 3.35Å; I567-Y573 HydrophobicContact CD1-CD1 4.49Å; I567-Y573 HydrophobicContact CD1-CE1 4.22Å; I567-Y573 HydrophobicContact CG1-CD1 3.91Å; I567-Y573 HydrophobicContact CG1-CE1 4.15Å
568	S	93.9	Very high	85	Confident	32 Å²	32	53.9 Å²	53.9	22%	0.224	31%	0.314	C	S	.	.			trans	-79.3	163.1	176.2	63.9	0	0	0	0	112.8	T570 C571 Q572	S568-T570 PolarHBondContact O-N 3.06Å; S568-T570 PolarHBondContact OG-N 2.96Å; S568-T570 PolarHBondContact OG-OG1 2.88Å; S568-C571 PolarHBondContact O-N 3.49Å; S568-Q572 PolarHBondContact N-O 3.01Å; S568-Q572 PolarHBondContact OG-N 2.84Å; S568-Q572 PolarHBondContact OG-O 3.11Å
569	D	92.8	Very high	83	Confident	39 Å²	39	60.5 Å²	60.5	21%	0.209	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.3	169	-52.3	-65	0	0	0	113.3	C571 L639 K640	D569-C571 VanDerWaalsContact C-N 3.31Å; D569-L639 HydrophobicContact CB-CD2 4.32Å; D569-L639 CarbonylContact O-C 3.5Å; D569-L639 WeakPolarHBondContact O-CA 3.22Å; D569-K640 PolarHBondContact O-N 3.19Å
570	T	94.8	Very high	80.7	Confident	34 Å²	34	60.8 Å²	60.8	21%	0.209	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.4	175.2	60.7	0	0	0	0	113.7	S568 Q572 K640	S568-T570 PolarHBondContact O-N 3.06Å; S568-T570 PolarHBondContact OG-N 2.96Å; S568-T570 PolarHBondContact OG-OG1 2.88Å; T570-Q572 WeakPolarHBondContact O-CG 3.32Å; T570-Q572 PolarHBondContact OG1-OE1 2.88Å; T570-K640 CarbonylContact C-O 3.54Å; T570-K640 VanDerWaalsContact CA-O 3.25Å; T570-K640 WeakPolarHBondContact CA-O 3.31Å; T570-K640 HydrophobicContact CG2-CB 4.49Å; T570-K640 VanDerWaalsContact O-O 3.05Å
571	C	96.8	Very high	78.2	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	38%	0.375	C	S	.	.	S	Bend	trans	52.5	55.8	-176.8	-57.2	0	0	0	0	112.7	L489 A490 S568 D569 K640 H641	L489-C571 HydrophobicContact CB-CB 3.76Å; L489-C571 HydrophobicContact CD1-CB 4.34Å; A490-C571 VanDerWaalsContact CA-O 3.27Å; A490-C571 WeakPolarHBondContact CA-O 3.25Å; A490-C571 PolarHBondContact N-O 2.8Å; S568-C571 PolarHBondContact O-N 3.49Å; D569-C571 VanDerWaalsContact C-N 3.31Å; C571-K640 PolarHBondContact N-O 3.18Å; C571-K640 PolarHBondContact SG-O 2.74Å; C571-H641 HydrophobicContact CB-CB 4.22Å
572	Q	96.4	Very high	75.7	Confident	26 Å²	26	75 Å²	75	12%	0.121	41%	0.409	C	S	.	.			trans	-138.8	145.5	177.1	-56.7	179.9	-49.9	0	0	109.1	D493 K497 I567 S568 T570	D493-Q572 HydrophobicContact CB-CG 4.45Å; D493-Q572 VanDerWaalsContact CG-NE2 3.3Å; D493-Q572 PolarHBondContact OD1-NE2 2.65Å; D493-Q572 VanDerWaalsContact OD2-CG 3.3Å; D493-Q572 WeakPolarHBondContact OD2-CG 3.41Å; D493-Q572 PolarHBondContact OD2-NE2 2.57Å; K497-Q572 VanDerWaalsContact NZ-CD 3.26Å; I567-Q572 WeakPolarHBondContact CA-O 3.35Å; S568-Q572 PolarHBondContact N-O 3.01Å; S568-Q572 PolarHBondContact OG-N 2.84Å; S568-Q572 PolarHBondContact OG-O 3.11Å; T570-Q572 WeakPolarHBondContact O-CG 3.32Å; T570-Q572 PolarHBondContact OG1-OE1 2.88Å
573	Y	96.1	Very high	73.5	Confident	95 Å²	95	81 Å²	81	37%	0.373	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-63.2	138.3	174.8	-64.4	-58.1	0	0	0	111.7	A490 E491 A494 G566 I567	A490-Y573 HydrophobicContact CB-CD1 4.12Å; A490-Y573 HydrophobicContact CB-CD2 4.35Å; A490-Y573 HydrophobicContact CB-CE1 4Å; A490-Y573 HydrophobicContact CB-CE2 4.27Å; A490-Y573 HydrophobicContact CB-CG 4.29Å; E491-Y573 VanDerWaalsContact OE2-CE2 3.26Å; E491-Y573 WeakPolarHBondContact OE2-CE2 3.46Å; E491-Y573 PolarHBondContact OE2-OH 3.11Å; A494-Y573 HydrophobicContact CB-CD2 4.08Å; A494-Y573 HydrophobicContact CB-CE2 4.17Å; G566-Y573 CarbonylContact O-C 3.41Å; G566-Y573 WeakPolarHBondContact O-CA 3.14Å; I567-Y573 HydrophobicContact CD1-CD1 4.49Å; I567-Y573 HydrophobicContact CD1-CE1 4.22Å; I567-Y573 HydrophobicContact CG1-CD1 3.91Å; I567-Y573 HydrophobicContact CG1-CE1 4.15Å
574	T	90.1	Very high	71.2	Confident	55 Å²	55	83.7 Å²	83.7	34%	0.337	44%	0.439	S	S	.	.			trans	-91.1	139.9	179.9	65.3	0	0	0	0	111.6	G566 D576	G566-T574 WeakPolarHBondContact CA-OG1 3.47Å; G566-T574 PolarHBondContact O-N 3.11Å; G566-T574 PolarHBondContact O-OG1 3.45Å; T574-D576 VanDerWaalsContact C-N 3.3Å; T574-D576 PolarHBondContact O-N 3.1Å
575	T	71.3	Confident	68.9	Low	133 Å²	133	85.3 Å²	85.3	82%	0.816	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.3	-174	44.3	0	0	0	0	115
576	D	53.8	Low	66.7	Low	75 Å²	75	88.2 Å²	88.2	40%	0.401	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	13.1	-163.6	-82.4	-80.9	0	0	0	115.6	T574 N578 K579	T574-D576 VanDerWaalsContact C-N 3.3Å; T574-D576 PolarHBondContact O-N 3.1Å; D576-N578 PolarHBondContact O-N 2.64Å; D576-K579 PolarHBondContact O-N 3.39Å; D576-K579 WeakPolarHBondContact OD1-CD 3.32Å; D576-K579 VanDerWaalsContact OD1-CE 3.31Å; D576-K579 WeakPolarHBondContact OD1-CE 3.49Å; D576-K579 IonicContact OD1-NZ 3.91Å; D576-K579 PolarHBondContact OD1-NZ 2.71Å
577	I	50.7	Low	64.3	Low	97 Å²	97	94.3 Å²	94.3	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-52.6	-29.6	179.2	-60.6	176.6	0	0	0	112.5	K579 T580	I577-K579 PolarHBondContact O-N 3.18Å; I577-T580 PolarHBondContact O-OG1 2.78Å
578	N	41.7	Very low	62.2	Low	146 Å²	146	106.1 Å²	106.1	78%	0.781	57%	0.567	S	S	*	*	H	α-helix	trans	-74.2	-15.2	179.1	-73.5	-24.6	0	0	0	115	D576	D576-N578 PolarHBondContact O-N 2.64Å
579	K	43.9	Very low	59.9	Low	153 Å²	153	107.5 Å²	107.5	67%	0.665	59%	0.586	S	S	*	*	H	α-helix	trans	-83.5	-36.2	174.5	-72.5	180	-174.1	143.5	0	112.4	D576 I577 R581 S582	D576-K579 PolarHBondContact O-N 3.39Å; D576-K579 WeakPolarHBondContact OD1-CD 3.32Å; D576-K579 VanDerWaalsContact OD1-CE 3.31Å; D576-K579 WeakPolarHBondContact OD1-CE 3.49Å; D576-K579 IonicContact OD1-NZ 3.91Å; D576-K579 PolarHBondContact OD1-NZ 2.71Å; I577-K579 PolarHBondContact O-N 3.18Å; K579-R581 VanDerWaalsContact C-N 3.32Å; K579-R581 PolarHBondContact O-N 2.95Å; K579-S582 WeakPolarHBondContact O-CB 3.26Å; K579-S582 PolarHBondContact O-N 3.26Å
580	T	39.5	Very low	58.6	Low	92 Å²	92	113.5 Å²	113.5	56%	0.564	61%	0.607	S	S	*	*	H	α-helix	trans	-68.4	-27.5	-174.7	8	0	0	0	0	113.5	I577 S582 Q583	I577-T580 PolarHBondContact O-OG1 2.78Å; T580-S582 PolarHBondContact O-N 2.75Å; T580-Q583 PolarHBondContact O-N 3.35Å; T580-Q583 VanDerWaalsContact O-N 3.17Å
581	R	39.5	Very low	57.1	Low	223 Å²	223	115.1 Å²	115.1	84%	0.842	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-11.9	174.3	-89.5	-174.4	168.4	-177.1	-3.2	114.7	K579	K579-R581 VanDerWaalsContact C-N 3.32Å; K579-R581 PolarHBondContact O-N 2.95Å
582	S	40.5	Very low	55.3	Low	108 Å²	108	122.3 Å²	122.3	76%	0.755	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-8.4	175.6	-169.7	0	0	0	0	114.6	K579 T580	K579-S582 WeakPolarHBondContact O-CB 3.26Å; K579-S582 PolarHBondContact O-N 3.26Å; T580-S582 PolarHBondContact O-N 2.75Å
583	Q	43	Very low	53.4	Low	173 Å²	173	127.3 Å²	127.3	81%	0.808	68%	0.676	S	S	*	*			trans	-112.7	72	-175.3	-68.7	-157.5	-11.3	0	0	113.5	T580	T580-Q583 PolarHBondContact O-N 3.35Å; T580-Q583 VanDerWaalsContact O-N 3.17Å
584	N	41.1	Very low	52	Low	163 Å²	163	126.6 Å²	126.6	87%	0.872	68%	0.675	S	S	*	*			trans	-117	81.5	169.5	-107.2	-3.6	0	0	0	111.2
585	S	39.4	Very low	51.2	Low	110 Å²	110	128.5 Å²	128.5	77%	0.769	68%	0.681	S	S	*	*	S	Bend	trans	-169.3	122	152.9	58.8	0	0	0	0	114	T587	S585-T587 PolarHBondContact O-N 2.67Å; S585-T587 VanDerWaalsContact O-N 3.09Å
586	G	46.9	Very low	50.9	Low	86 Å²	86	125.8 Å²	125.8	89%	0.887	66%	0.662	S	S	*	*	S	Bend		83	-13.7	126.9	0	0	0	0	0	121.1
587	T	43.6	Very low	51.2	Low	130 Å²	130	125.9 Å²	125.9	80%	0.798	66%	0.66	S	S	*	*			trans	-148	141.6	180	-6.7	0	0	0	0	114.1	S585 G589	S585-T587 PolarHBondContact O-N 2.67Å; S585-T587 VanDerWaalsContact O-N 3.09Å; T587-G589 PolarHBondContact O-N 3.21Å
588	R	49.8	Very low	51.8	Low	257 Å²	257	125 Å²	125	97%	0.97	66%	0.655	S	S	*	*			trans	-75	61.6	161.4	-73.5	-175.7	174.7	174.4	-1.8	110.1
589	G	46.6	Very low	52.8	Low	61 Å²	61	123.8 Å²	123.8	63%	0.629	64%	0.64	S	S	*	*			trans	-82.7	115.1	175.8	0	0	0	0	0	110.6	T587	T587-G589 PolarHBondContact O-N 3.21Å
590	Y	64.9	Low	54	Low	166 Å²	166	119.2 Å²	119.2	65%	0.651	62%	0.62	S	S	*	*			trans	-62	136.1	158.9	-61.6	-69.6	0	0	0	108.6	F594 M595	Y590-F594 AromaticContact CD1-CD1 3.64Å; Y590-F594 HydrophobicContact CD1-CD1 3.64Å; Y590-F594 AromaticContact CD1-CE1 3.39Å; Y590-F594 HydrophobicContact CD1-CE1 3.39Å; Y590-F594 HydrophobicContact CD1-CZ 4.21Å; Y590-F594 AromaticContact CE1-CE1 3.86Å; Y590-F594 HydrophobicContact CE1-CE1 3.86Å; Y590-F594 HydrophobicContact CE1-CZ 4.4Å; Y590-F594 HydrophobicContact CG-CD1 4.02Å; Y590-F594 HydrophobicContact CG-CE1 4.07Å; Y590-M595 VanDerWaalsContact CB-SD 3.58Å; Y590-M595 HydrophobicContact CD2-SD 3.86Å; Y590-M595 HydrophobicContact CG-SD 3.89Å
591	S	63.9	Low	55.4	Low	67 Å²	67	116.1 Å²	116.1	47%	0.469	60%	0.602	S	S	.	*			trans	-63.6	149.8	176.4	72.8	0	0	0	0	110.3	E593 F594 M595	S591-E593 PolarHBondContact O-N 3.16Å; S591-F594 PolarHBondContact O-N 2.9Å; S591-F594 VanDerWaalsContact OG-CB 3.32Å; S591-F594 WeakPolarHBondContact OG-CB 3.17Å; S591-F594 PolarHBondContact OG-N 3.28Å; S591-M595 PolarHBondContact O-N 3.27Å
592	H	58.1	Low	56.8	Low	153 Å²	153	110.9 Å²	110.9	71%	0.708	60%	0.597	S	S	*	*	H	α-helix	trans	-54.1	-39.6	176.2	178.7	-115.3	0	0	0	111.4	M595 L596	H592-M595 PolarHBondContact O-N 3.45Å; H592-L596 WeakPolarHBondContact O-CG 3.41Å; H592-L596 PolarHBondContact O-N 3.15Å
593	E	56.7	Low	58.1	Low	131 Å²	131	109.5 Å²	109.5	61%	0.612	59%	0.592	S	S	*	*	H	α-helix	trans	-63.8	-43.6	175.3	-162.5	-168.5	150.2	0	0	112.9	S591 L596 Q597	S591-E593 PolarHBondContact O-N 3.16Å; E593-L596 PolarHBondContact O-N 3.28Å; E593-Q597 WeakPolarHBondContact O-CG 3.45Å; E593-Q597 PolarHBondContact O-N 3.44Å; E593-Q597 PolarHBondContact OE1-NE2 3.39Å
594	F	66.8	Low	59.4	Low	79 Å²	79	104.5 Å²	104.5	35%	0.346	58%	0.58	S	S	.	*	H	α-helix	trans	-63.9	-41.3	175.2	177.4	-85.5	0	0	0	111.8	Y590 S591 L596 Q597 L598	Y590-F594 AromaticContact CD1-CD1 3.64Å; Y590-F594 HydrophobicContact CD1-CD1 3.64Å; Y590-F594 AromaticContact CD1-CE1 3.39Å; Y590-F594 HydrophobicContact CD1-CE1 3.39Å; Y590-F594 HydrophobicContact CD1-CZ 4.21Å; Y590-F594 AromaticContact CE1-CE1 3.86Å; Y590-F594 HydrophobicContact CE1-CE1 3.86Å; Y590-F594 HydrophobicContact CE1-CZ 4.4Å; Y590-F594 HydrophobicContact CG-CD1 4.02Å; Y590-F594 HydrophobicContact CG-CE1 4.07Å; S591-F594 PolarHBondContact O-N 2.9Å; S591-F594 VanDerWaalsContact OG-CB 3.32Å; S591-F594 WeakPolarHBondContact OG-CB 3.17Å; S591-F594 PolarHBondContact OG-N 3.28Å; F594-L596 VanDerWaalsContact C-N 3.3Å; F594-L596 PolarHBondContact O-N 2.68Å; F594-Q597 WeakPolarHBondContact O-CB 3.45Å; F594-Q597 PolarHBondContact O-N 3.38Å; F594-Q597 VanDerWaalsContact O-N 3.12Å; F594-L598 HydrophobicContact CD1-CD1 4.36Å; F594-L598 HydrophobicContact CE1-CD1 3.85Å; F594-L598 HydrophobicContact CE1-CG 4.41Å; F594-L598 PolarHBondContact O-N 3.02Å
595	M	72.3	Confident	60.9	Low	95 Å²	95	100.3 Å²	100.3	47%	0.468	56%	0.563	S	S	.	*	H	α-helix	trans	-64.3	-35.8	175.9	-69.2	-60.3	-64.4	0	0	112	Y590 S591 H592 L598	Y590-M595 VanDerWaalsContact CB-SD 3.58Å; Y590-M595 HydrophobicContact CD2-SD 3.86Å; Y590-M595 HydrophobicContact CG-SD 3.89Å; S591-M595 PolarHBondContact O-N 3.27Å; H592-M595 PolarHBondContact O-N 3.45Å; M595-L598 PolarHBondContact O-N 3.41Å; M595-L598 HydrophobicContact SD-CD1 4.45Å
596	L	65.6	Low	62.6	Low	77 Å²	77	100.2 Å²	100.2	40%	0.403	56%	0.557	S	S	.	*	H	α-helix	trans	-67.2	-33.5	171.8	-72	172.7	0	0	0	112.5	H592 E593 F594 L598 R599	H592-L596 WeakPolarHBondContact O-CG 3.41Å; H592-L596 PolarHBondContact O-N 3.15Å; E593-L596 PolarHBondContact O-N 3.28Å; F594-L596 VanDerWaalsContact C-N 3.3Å; F594-L596 PolarHBondContact O-N 2.68Å; L596-L598 PolarHBondContact O-N 3.3Å; L596-R599 WeakPolarHBondContact O-CB 3.15Å; L596-R599 PolarHBondContact O-N 2.74Å
597	Q	60.5	Low	63.9	Low	77 Å²	77	101.1 Å²	101.1	36%	0.36	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.5	173.8	-69.4	170.6	39.1	0	0	114.1	E593 F594 Y631	E593-Q597 WeakPolarHBondContact O-CG 3.45Å; E593-Q597 PolarHBondContact O-N 3.44Å; E593-Q597 PolarHBondContact OE1-NE2 3.39Å; F594-Q597 WeakPolarHBondContact O-CB 3.45Å; F594-Q597 PolarHBondContact O-N 3.38Å; F594-Q597 VanDerWaalsContact O-N 3.12Å; Q597-Y631 PolarHBondContact O-OH 2.8Å
598	L	63.5	Low	65.6	Low	78 Å²	78	98.7 Å²	98.7	41%	0.408	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-11.3	169.8	-61.4	177.3	0	0	0	112.9	F594 M595 L596 F600 C601	F594-L598 HydrophobicContact CD1-CD1 4.36Å; F594-L598 HydrophobicContact CE1-CD1 3.85Å; F594-L598 HydrophobicContact CE1-CG 4.41Å; F594-L598 PolarHBondContact O-N 3.02Å; M595-L598 PolarHBondContact O-N 3.41Å; M595-L598 HydrophobicContact SD-CD1 4.45Å; L596-L598 PolarHBondContact O-N 3.3Å; L598-F600 PolarHBondContact O-N 3.16Å; L598-C601 WeakPolarHBondContact O-CB 3.49Å; L598-C601 PolarHBondContact O-N 3.06Å; L598-C601 VanDerWaalsContact O-N 3.12Å; L598-C601 PolarHBondContact O-SG 3.3Å
599	R	61.7	Low	66.9	Low	120 Å²	120	95.7 Å²	95.7	45%	0.453	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	116.5	-177.8	-165.2	-174.9	-175.6	-177.6	1.2	109.6	L596 Y631	L596-R599 WeakPolarHBondContact O-CB 3.15Å; L596-R599 PolarHBondContact O-N 2.74Å; R599-Y631 PolarHBondContact O-OH 2.73Å
600	F	69.6	Low	68.6	Low	57 Å²	57	100.4 Å²	100.4	25%	0.25	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	22.9	-171.9	-36.6	-63.6	0	0	0	115.5	L598 C605 I620 P622	L598-F600 PolarHBondContact O-N 3.16Å; F600-C605 PolarHBondContact O-SG 3.42Å; F600-I620 HydrophobicContact CE1-CB 4.42Å; F600-I620 HydrophobicContact CE1-CG2 4.38Å; F600-I620 WeakPolarHBondContact CE1-O 3.35Å; F600-I620 HydrophobicContact CZ-CB 4.39Å; F600-I620 HydrophobicContact CZ-CG2 3.87Å; F600-P622 HydrophobicContact CD2-CB 3.83Å; F600-P622 HydrophobicContact CE2-CB 4.15Å; F600-P622 HydrophobicContact CG-CB 4.18Å; F600-P622 HydrophobicContact CG-CG 4.39Å
601	C	69.3	Low	69.3	Low	28 Å²	28	96.1 Å²	96.1	19%	0.189	52%	0.517	C	S	.	.			trans	-62.9	155.9	162.1	74	0	0	0	0	110.4	L598 A603 A604 C605 Y631	L598-C601 WeakPolarHBondContact O-CB 3.49Å; L598-C601 PolarHBondContact O-N 3.06Å; L598-C601 VanDerWaalsContact O-N 3.12Å; L598-C601 PolarHBondContact O-SG 3.3Å; C601-A603 PolarHBondContact O-N 3.37Å; C601-A604 WeakPolarHBondContact O-CA 3.44Å; C601-A604 PolarHBondContact O-N 3.38Å; C601-C605 PolarHBondContact O-N 2.86Å; C601-Y631 HydrophobicContact CB-CE1 4.27Å; C601-Y631 PolarHBondContact N-OH 3.22Å
602	P	69.3	Low	70.2	Confident	112 Å²	112	98.1 Å²	98.1	73%	0.727	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.6	-171.2	-29.8	36.4	0	0	0	115.5
603	A	68.1	Low	71.3	Confident	80 Å²	80	96.2 Å²	96.2	66%	0.661	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-39.4	174.7	0	0	0	0	0	112.6	C601 C605 V606	C601-A603 PolarHBondContact O-N 3.37Å; A603-C605 VanDerWaalsContact C-N 3.25Å; A603-C605 PolarHBondContact O-N 2.91Å; A603-V606 PolarHBondContact O-N 3.08Å
604	A	70	Confident	72.4	Confident	67 Å²	67	94.2 Å²	94.2	55%	0.554	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.9	176.5	0	0	0	0	0	113.1	C601 V606	C601-A604 WeakPolarHBondContact O-CA 3.44Å; C601-A604 PolarHBondContact O-N 3.38Å; A604-V606 VanDerWaalsContact C-N 3.33Å
605	C	71.3	Confident	72.8	Confident	76 Å²	76	95.1 Å²	95.1	51%	0.514	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.9	172.3	-71.7	0	0	0	0	114.3	F600 C601 A603 R607	F600-C605 PolarHBondContact O-SG 3.42Å; C601-C605 PolarHBondContact O-N 2.86Å; A603-C605 VanDerWaalsContact C-N 3.25Å; A603-C605 PolarHBondContact O-N 2.91Å; C605-R607 PolarHBondContact O-N 3.13Å
606	V	75.7	Confident	72.5	Confident	107 Å²	107	93.4 Å²	93.4	65%	0.648	53%	0.533	S	S	*	.	S	Bend	trans	-81.5	108	174.9	-179.6	0	0	0	0	108.9	A603 A604 P608	A603-V606 PolarHBondContact O-N 3.08Å; A604-V606 VanDerWaalsContact C-N 3.33Å; V606-P608 WeakPolarHBondContact O-CD 3.41Å
607	R	74.4	Confident	72.7	Confident	105 Å²	105	94.3 Å²	94.3	40%	0.396	54%	0.542	S	S	.	.			trans	-69.2	124.6	175.4	-166.1	-169.7	-170.8	79.7	7.4	110.1	C605 L611 V612 T618	C605-R607 PolarHBondContact O-N 3.13Å; R607-L611 HydrophobicContact CG-CB 4.29Å; R607-L611 HydrophobicContact CG-CD2 4.2Å; R607-L611 PolarHBondContact NE-O 3.35Å; R607-L611 PolarHBondContact NH2-O 2.84Å; R607-V612 PolarHBondContact NH2-O 2.84Å; R607-V612 VanDerWaalsContact NH2-O 3.13Å; R607-T618 PolarHBondContact NH1-O 3.02Å; R607-T618 PolarHBondContact NH2-OG1 3.21Å
608	P	79.4	Confident	73.2	Confident	80 Å²	80	92.2 Å²	92.2	52%	0.519	53%	0.534	S	S	.	.			trans	-65	139.7	168.3	-18.4	32	0	0	0	110.9	V606 N610 L611	V606-P608 WeakPolarHBondContact O-CD 3.41Å; P608-N610 PolarHBondContact O-N 2.93Å; P608-N610 VanDerWaalsContact O-N 3.12Å; P608-L611 HydrophobicContact CB-CB 4.37Å; P608-L611 HydrophobicContact CG-CB 4.5Å; P608-L611 WeakPolarHBondContact O-CB 3.42Å; P608-L611 PolarHBondContact O-N 3.42Å
609	E	76.3	Confident	73.6	Confident	194 Å²	194	91.6 Å²	91.6	91%	0.907	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.2	-174.1	-60.6	-178.5	149.1	0	0	113.3
610	N	83.1	Confident	74.1	Confident	159 Å²	159	89.3 Å²	89.3	85%	0.85	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	9.3	-178.2	-62	-43	0	0	0	114.3	P608 V612	P608-N610 PolarHBondContact O-N 2.93Å; P608-N610 VanDerWaalsContact O-N 3.12Å; N610-V612 PolarHBondContact O-N 3.05Å
611	L	80.2	Confident	74	Confident	77 Å²	77	94.4 Å²	94.4	40%	0.403	55%	0.549	S	S	.	.			trans	-76.5	111.3	-178.7	-174.6	66.7	0	0	0	111.3	R607 P608 T618	R607-L611 HydrophobicContact CG-CB 4.29Å; R607-L611 HydrophobicContact CG-CD2 4.2Å; R607-L611 PolarHBondContact NE-O 3.35Å; R607-L611 PolarHBondContact NH2-O 2.84Å; P608-L611 HydrophobicContact CB-CB 4.37Å; P608-L611 HydrophobicContact CG-CB 4.5Å; P608-L611 WeakPolarHBondContact O-CB 3.42Å; P608-L611 PolarHBondContact O-N 3.42Å; L611-T618 HydrophobicContact CD2-CG2 4.46Å; L611-T618 HydrophobicContact CG-CG2 4.47Å
612	V	82.6	Confident	73.8	Confident	108 Å²	108	96.6 Å²	96.6	66%	0.655	56%	0.563	S	S	*	*			trans	-52.5	138.1	175	179.7	0	0	0	0	111.2	R607 N610 I614 T618	R607-V612 PolarHBondContact NH2-O 2.84Å; R607-V612 VanDerWaalsContact NH2-O 3.13Å; N610-V612 PolarHBondContact O-N 3.05Å; V612-I614 HydrophobicContact CG1-CG1 4.38Å; V612-I614 PolarHBondContact O-N 3.49Å; V612-T618 PolarHBondContact O-OG1 3.18Å
613	L	80.1	Confident	73.5	Confident	114 Å²	114	98.2 Å²	98.2	60%	0.597	57%	0.566	S	S	*	*			trans	-83.7	97.4	177.3	-169	74.4	0	0	0	110.8	D619	L613-D619 HydrophobicContact CD1-CB 3.91Å
614	I	81.6	Confident	73	Confident	88 Å²	88	101.5 Å²	101.5	45%	0.451	58%	0.578	S	S	.	*			trans	-99.1	114.4	165.8	-53.8	174	0	0	0	107.8	V612 V617 T618	V612-I614 HydrophobicContact CG1-CG1 4.38Å; V612-I614 PolarHBondContact O-N 3.49Å; I614-V617 HydrophobicContact CB-CB 4.16Å; I614-V617 HydrophobicContact CG2-CB 3.87Å; I614-V617 HydrophobicContact CG2-CG2 3.85Å; I614-V617 PolarHBondContact O-N 3.45Å; I614-T618 HydrophobicContact CB-CG2 4.04Å; I614-T618 HydrophobicContact CG1-CG2 4.37Å; I614-T618 PolarHBondContact N-OG1 2.75Å; I614-T618 PolarHBondContact O-N 3.09Å; I614-T618 PolarHBondContact O-OG1 2.74Å
615	P	73.8	Confident	72.4	Confident	98 Å²	98	102.3 Å²	102.3	64%	0.636	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	142.6	178.3	-23.4	34.9	0	0	0	113.3	V617 D619	P615-V617 PolarHBondContact O-N 3.28Å; P615-D619 WeakPolarHBondContact CA-OD1 3.33Å; P615-D619 WeakPolarHBondContact CA-OD2 3.45Å
616	G	67.1	Low	71.2	Confident	59 Å²	59	107.7 Å²	107.7	61%	0.608	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.2	3.3	-175	0	0	0	0	0	114.8	D619 I620	G616-D619 PolarHBondContact N-OD1 2.9Å; G616-I620 WeakPolarHBondContact O-CD1 3.36Å; G616-I620 WeakPolarHBondContact O-CG1 3.23Å
617	V	69.7	Low	69.6	Low	97 Å²	97	109.3 Å²	109.3	59%	0.588	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.5	-47.7	-173.5	-176.8	0	0	0	0	112.4	I614 P615 D619	I614-V617 HydrophobicContact CB-CB 4.16Å; I614-V617 HydrophobicContact CG2-CB 3.87Å; I614-V617 HydrophobicContact CG2-CG2 3.85Å; I614-V617 PolarHBondContact O-N 3.45Å; P615-V617 PolarHBondContact O-N 3.28Å; V617-D619 PolarHBondContact N-OD1 3.19Å
618	T	69.9	Low	68.1	Low	33 Å²	33	109.2 Å²	109.2	20%	0.202	62%	0.624	C	S	.	*	S	Bend	trans	-111.2	-2.3	-175.2	65.4	0	0	0	0	113.7	R607 L611 V612 I614	R607-T618 PolarHBondContact NH1-O 3.02Å; R607-T618 PolarHBondContact NH2-OG1 3.21Å; L611-T618 HydrophobicContact CD2-CG2 4.46Å; L611-T618 HydrophobicContact CG-CG2 4.47Å; V612-T618 PolarHBondContact O-OG1 3.18Å; I614-T618 HydrophobicContact CB-CG2 4.04Å; I614-T618 HydrophobicContact CG1-CG2 4.37Å; I614-T618 PolarHBondContact N-OG1 2.75Å; I614-T618 PolarHBondContact O-N 3.09Å; I614-T618 PolarHBondContact O-OG1 2.74Å
619	D	71.6	Confident	66.3	Low	64 Å²	64	113 Å²	113	34%	0.342	64%	0.635	S	S	.	*	S	Bend	trans	-121.6	1.1	-176	64.1	-28.4	0	0	0	112.5	L613 P615 G616 V617 K621	L613-D619 HydrophobicContact CD1-CB 3.91Å; P615-D619 WeakPolarHBondContact CA-OD1 3.33Å; P615-D619 WeakPolarHBondContact CA-OD2 3.45Å; G616-D619 PolarHBondContact N-OD1 2.9Å; V617-D619 PolarHBondContact N-OD1 3.19Å; D619-K621 PolarHBondContact O-N 3.49Å
620	I	73.2	Confident	64.5	Low	72 Å²	72	108 Å²	108	37%	0.369	62%	0.621	S	S	.	*			trans	-54.2	133	175.5	-41.9	178.5	0	0	0	109	F600 G616	F600-I620 HydrophobicContact CE1-CB 4.42Å; F600-I620 HydrophobicContact CE1-CG2 4.38Å; F600-I620 WeakPolarHBondContact CE1-O 3.35Å; F600-I620 HydrophobicContact CZ-CB 4.39Å; F600-I620 HydrophobicContact CZ-CG2 3.87Å; G616-I620 WeakPolarHBondContact O-CD1 3.36Å; G616-I620 WeakPolarHBondContact O-CG1 3.23Å
621	K	68.3	Low	62.6	Low	164 Å²	164	106.9 Å²	106.9	71%	0.713	61%	0.605	S	S	*	*			trans	-112	157.4	173.2	-68	171.6	-173.4	173.5	0	108.7	D619 D623	D619-K621 PolarHBondContact O-N 3.49Å; K621-D623 PolarHBondContact O-N 2.83Å
622	P	64.3	Low	60.7	Low	75 Å²	75	109.3 Å²	109.3	49%	0.487	62%	0.615	S	S	.	*			trans	-60.3	134.6	165.6	26.9	-33.9	0	0	0	109.2	F600	F600-P622 HydrophobicContact CD2-CB 3.83Å; F600-P622 HydrophobicContact CE2-CB 4.15Å; F600-P622 HydrophobicContact CG-CB 4.18Å; F600-P622 HydrophobicContact CG-CG 4.39Å
623	D	62.9	Low	58.9	Low	145 Å²	145	111.5 Å²	111.5	78%	0.775	62%	0.616	S	S	*	*			trans	-63.9	143.8	173.2	-74.4	-60.6	0	0	0	110.6	K621	K621-D623 PolarHBondContact O-N 2.83Å
624	T	58	Low	57.2	Low	149 Å²	149	114.9 Å²	114.9	91%	0.914	62%	0.62	S	S	*	*	S	Bend	trans	-98.6	14.4	-176.8	55.3	0	0	0	0	113
625	S	57	Low	55.6	Low	85 Å²	85	116.5 Å²	116.5	59%	0.594	62%	0.624	S	S	*	*	S	Bend	trans	-138.2	140.4	-177.5	53.1	0	0	0	0	109.9
626	E	45.4	Very low	54.8	Low	189 Å²	189	118.5 Å²	118.5	88%	0.883	62%	0.619	S	S	*	*	S	Bend	trans	67.2	152.1	-162.6	-51.8	-158.5	160	0	0	113.4	A628	E626-A628 PolarHBondContact O-N 2.89Å
627	D	42.6	Very low	55.1	Low	141 Å²	141	117.4 Å²	117.4	75%	0.754	60%	0.599	S	S	*	*			trans	-40.7	118.6	-149.8	-71.4	-28.3	0	0	0	116.2	Q629	D627-Q629 HydrophobicContact CB-CG 4.06Å; D627-Q629 PolarHBondContact O-N 3.46Å
628	A	43.3	Very low	56.1	Low	103 Å²	103	113.8 Å²	113.8	85%	0.851	58%	0.578	S	S	*	*			trans	-65.7	68	147.5	0	0	0	0	0	109.3	E626 S630	E626-A628 PolarHBondContact O-N 2.89Å; A628-S630 VanDerWaalsContact C-N 3.31Å; A628-S630 PolarHBondContact O-N 2.95Å
629	Q	41.6	Very low	57.3	Low	160 Å²	160	112.2 Å²	112.2	75%	0.748	57%	0.568	S	S	*	*			trans	-49.5	107.7	151.1	-66.9	-171.1	18	0	0	104.8	D627 Y631	D627-Q629 HydrophobicContact CB-CG 4.06Å; D627-Q629 PolarHBondContact O-N 3.46Å; Q629-Y631 PolarHBondContact O-N 3.16Å
630	S	38.8	Very low	58.5	Low	87 Å²	87	113 Å²	113	61%	0.608	57%	0.569	S	S	*	*			trans	-56	144.1	-176.6	62.1	0	0	0	0	108.1	A628 E632	A628-S630 VanDerWaalsContact C-N 3.31Å; A628-S630 PolarHBondContact O-N 2.95Å; S630-E632 PolarHBondContact O-N 3.03Å
631	Y	42.8	Very low	59.7	Low	136 Å²	136	110.5 Å²	110.5	53%	0.533	56%	0.556	S	S	.	*			trans	-67.8	61	164.5	-107.6	-83.3	0	0	0	109.1	Q597 R599 C601 Q629 K633	Q597-Y631 PolarHBondContact O-OH 2.8Å; R599-Y631 PolarHBondContact O-OH 2.73Å; C601-Y631 HydrophobicContact CB-CE1 4.27Å; C601-Y631 PolarHBondContact N-OH 3.22Å; Q629-Y631 PolarHBondContact O-N 3.16Å; Y631-K633 PolarHBondContact O-N 2.9Å
632	E	40.8	Very low	60.8	Low	129 Å²	129	109.4 Å²	109.4	60%	0.603	55%	0.553	S	S	*	*			trans	-61.5	124.4	172.8	-159.8	-177.3	-112.7	0	0	105.7	S630 R634	S630-E632 PolarHBondContact O-N 3.03Å; E632-R634 VanDerWaalsContact C-N 3.32Å; E632-R634 PolarHBondContact O-N 3.12Å
633	K	43.4	Very low	62.3	Low	154 Å²	154	106.4 Å²	106.4	67%	0.67	53%	0.533	S	S	*	.			trans	-61.6	95.2	-178.6	-72.3	178.8	166.2	-168.4	0	109.3	Y631 F635 D637	Y631-K633 PolarHBondContact O-N 2.9Å; K633-F635 CarbonylContact O-C 3.28Å; K633-F635 VanDerWaalsContact O-C 3.28Å; K633-F635 PolarHBondContact O-N 3.42Å; K633-D637 IonicContact NZ-OD2 3.68Å
634	R	45.3	Very low	63.8	Low	184 Å²	184	103 Å²	103	69%	0.694	52%	0.515	S	S	*	.	S	Bend	trans	-67.8	-14.3	174.4	-81.6	-172.4	169.8	-175.7	-2.3	113	E632 R636	E632-R634 VanDerWaalsContact C-N 3.32Å; E632-R634 PolarHBondContact O-N 3.12Å; R634-R636 PolarHBondContact O-N 3.28Å
635	F	48	Very low	65.7	Low	123 Å²	123	96.1 Å²	96.1	54%	0.539	47%	0.473	S	S	.	.	S	Bend	trans	-67.1	86.8	149.8	-62	-75.1	0	0	0	108.8	A558 K633 D637	A558-F635 HydrophobicContact CB-CB 4.41Å; A558-F635 HydrophobicContact CB-CD1 4.47Å; A558-F635 WeakPolarHBondContact O-CD1 3.28Å; K633-F635 CarbonylContact O-C 3.28Å; K633-F635 VanDerWaalsContact O-C 3.28Å; K633-F635 PolarHBondContact O-N 3.42Å; F635-D637 VanDerWaalsContact C-N 3.29Å; F635-D637 PolarHBondContact O-N 2.92Å
636	R	58	Low	67.5	Low	139 Å²	139	95.7 Å²	95.7	53%	0.525	46%	0.461	S	S	.	.			trans	-69.2	94.2	166.6	-72.5	-176.3	174.3	-179.8	-0.1	107.3	R634 C638	R634-R636 PolarHBondContact O-N 3.28Å; R636-C638 PolarHBondContact O-N 3.32Å
637	D	73.2	Confident	70	Confident	36 Å²	36	87.3 Å²	87.3	19%	0.193	42%	0.423	C	S	.	.			trans	-59.1	11	176.7	-70.4	-33	0	0	0	113.8	Y533 Q534 K633 F635	Y533-D637 PolarHBondContact N-O 2.85Å; Y533-D637 VanDerWaalsContact N-O 3.1Å; Q534-D637 HydrophobicContact CB-CB 3.74Å; Q534-D637 VanDerWaalsContact CD-OD1 3.3Å; Q534-D637 HydrophobicContact CG-CB 4.25Å; Q534-D637 WeakPolarHBondContact CG-OD1 3.49Å; Q534-D637 PolarHBondContact NE2-OD1 3.4Å; K633-D637 IonicContact NZ-OD2 3.68Å; F635-D637 VanDerWaalsContact C-N 3.29Å; F635-D637 PolarHBondContact O-N 2.92Å
638	C	89.8	Confident	72.7	Confident	21 Å²	21	81 Å²	81	14%	0.142	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	125.8	-161.5	-162.5	0	0	0	0	112.4	E530 L531 S532 R636	E530-C638 WeakPolarHBondContact CG-SG 3.17Å; E530-C638 PolarHBondContact OE1-SG 3.35Å; L531-C638 CarbonylContact O-C 3.51Å; L531-C638 VanDerWaalsContact O-CA 3.26Å; L531-C638 WeakPolarHBondContact O-CA 3.41Å; L531-C638 PolarHBondContact O-SG 3.4Å; L531-C638 VanDerWaalsContact O-SG 3.39Å; S532-C638 PolarHBondContact N-SG 3.44Å; R636-C638 PolarHBondContact O-N 3.32Å
639	L	95.3	Very high	75.2	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	153.4	169.9	-61.8	-178.4	0	0	0	110.8	L482 F525 E530 L531 Y533 L560 W561 D569	L482-L639 HydrophobicContact CB-CD1 4.44Å; L482-L639 HydrophobicContact CD2-CD1 4.34Å; F525-L639 HydrophobicContact CD2-CB 4.46Å; F525-L639 HydrophobicContact CE1-CB 4.3Å; F525-L639 HydrophobicContact CE1-CD1 4.13Å; F525-L639 HydrophobicContact CE2-CB 3.69Å; F525-L639 HydrophobicContact CZ-CB 3.6Å; F525-L639 HydrophobicContact CZ-CD1 4.23Å; E530-L639 CarbonylContact C-O 3.58Å; E530-L639 WeakPolarHBondContact CA-O 3.46Å; L531-L639 PolarHBondContact N-O 2.72Å; L531-L639 PolarHBondContact O-N 3.35Å; Y533-L639 HydrophobicContact CD1-CD2 4.43Å; Y533-L639 HydrophobicContact CD1-CG 3.8Å; Y533-L639 HydrophobicContact CE1-CD2 3.8Å; Y533-L639 HydrophobicContact CE1-CG 3.67Å; L560-L639 HydrophobicContact CD2-CD1 4.01Å; W561-L639 HydrophobicContact CH2-CD1 3.93Å; W561-L639 HydrophobicContact CH2-CD2 3.49Å; W561-L639 VanDerWaalsContact CH2-CD2 3.49Å; W561-L639 HydrophobicContact CH2-CG 4.35Å; W561-L639 HydrophobicContact CZ2-CD2 3.99Å; W561-L639 HydrophobicContact CZ3-CD1 4.03Å; W561-L639 HydrophobicContact CZ3-CD2 4.08Å; D569-L639 HydrophobicContact CB-CD2 4.32Å; D569-L639 CarbonylContact O-C 3.5Å; D569-L639 WeakPolarHBondContact O-CA 3.22Å
640	K	96.8	Very high	77.7	Confident	82 Å²	82	76.3 Å²	76.3	36%	0.357	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.5	173.6	-56.6	-168.6	-176	-131.6	0	112	G529 E530 D569 T570 C571	G529-K640 CarbonylContact O-C 3.57Å; G529-K640 WeakPolarHBondContact O-CA 3.34Å; E530-K640 HydrophobicContact CB-CG 4.45Å; E530-K640 VanDerWaalsContact CD-CE 3.41Å; E530-K640 HydrophobicContact CG-CG 4.18Å; E530-K640 WeakPolarHBondContact OE1-CE 3.37Å; E530-K640 IonicContact OE1-NZ 2.8Å; E530-K640 PolarHBondContact OE1-NZ 2.87Å; E530-K640 WeakPolarHBondContact OE2-CE 3.34Å; E530-K640 IonicContact OE2-NZ 2.93Å; E530-K640 PolarHBondContact OE2-NZ 3.05Å; D569-K640 PolarHBondContact O-N 3.19Å; T570-K640 CarbonylContact C-O 3.54Å; T570-K640 VanDerWaalsContact CA-O 3.25Å; T570-K640 WeakPolarHBondContact CA-O 3.31Å; T570-K640 HydrophobicContact CG2-CB 4.49Å; T570-K640 VanDerWaalsContact O-O 3.05Å; C571-K640 PolarHBondContact N-O 3.18Å; C571-K640 PolarHBondContact SG-O 2.74Å
641	H	97.3	Very high	80.4	Confident	18 Å²	18	72.6 Å²	72.6	8%	0.083	32%	0.321	C	S	.	.			trans	-143.6	171	159	61.2	80.4	0	0	0	111.4	L489 F525 I526 G529 C571 V643	L489-H641 HydrophobicContact CD1-CB 4.18Å; L489-H641 VanDerWaalsContact CD1-CD2 3.46Å; L489-H641 WeakPolarHBondContact CD1-CD2 3.44Å; L489-H641 HydrophobicContact CD2-CB 4.43Å; F525-H641 AromaticContact CE2-CD2 3.77Å; F525-H641 AromaticContact CZ-CD2 3.82Å; F525-H641 PolarHBondContact O-NE2 2.85Å; I526-H641 WeakPolarHBondContact CA-NE2 3.37Å; I526-H641 PolarHBondContact O-CE1 2.99Å; I526-H641 PolarHBondContact O-NE2 2.76Å; G529-H641 PolarHBondContact O-N 3.27Å; C571-H641 HydrophobicContact CB-CB 4.22Å; H641-V643 PolarHBondContact CE1-O 3.09Å; H641-V643 VanDerWaalsContact CE1-O 3.23Å; H641-V643 PolarHBondContact ND1-O 3.33Å
642	Q	93.4	Very high	82.7	Confident	141 Å²	141	69.5 Å²	69.5	66%	0.659	32%	0.316	S	S	*	.			trans	-111.3	-2.5	-177.7	-59.3	-170.4	36.5	0	0	114.1
643	V	94.4	Very high	84.9	Confident	12 Å²	12	64.8 Å²	64.8	7%	0.073	30%	0.295	C	S	.	.			trans	-75.1	123.9	174	-157.2	0	0	0	0	109.4	L489 I492 I496 V508 H641 L645	L489-V643 HydrophobicContact CD2-CG2 4.24Å; I492-V643 HydrophobicContact CG2-CG1 4.2Å; I492-V643 HydrophobicContact CG2-CG2 3.91Å; I496-V643 HydrophobicContact CD1-CG1 4.09Å; I496-V643 HydrophobicContact CD1-CG2 4.19Å; V508-V643 HydrophobicContact CB-CG1 4.43Å; V508-V643 HydrophobicContact CG1-CG1 4.43Å; V508-V643 HydrophobicContact CG2-CG1 3.96Å; H641-V643 PolarHBondContact CE1-O 3.09Å; H641-V643 VanDerWaalsContact CE1-O 3.23Å; H641-V643 PolarHBondContact ND1-O 3.33Å; V643-L645 HydrophobicContact CB-CD1 4.26Å; V643-L645 HydrophobicContact CB-CG 4.13Å; V643-L645 HydrophobicContact CG1-CD1 4.08Å; V643-L645 HydrophobicContact CG1-CD2 3.8Å; V643-L645 HydrophobicContact CG1-CG 3.69Å
644	D	94.5	Very high	86.6	Confident	74 Å²	74	61.4 Å²	61.4	40%	0.396	29%	0.289	S	S	.	.			trans	-81.9	115.5	168.5	-176	10.2	0	0	0	107.9	S678 R681	D644-S678 WeakPolarHBondContact O-CA 3.22Å; D644-R681 IonicContact OD1-CZ 2.79Å; D644-R681 IonicContact OD1-NE 3.47Å; D644-R681 PolarHBondContact OD1-NE 3.21Å; D644-R681 IonicContact OD1-NH2 2.81Å; D644-R681 PolarHBondContact OD1-NH2 3.15Å; D644-R681 WeakPolarHBondContact OD2-CG 3.26Å; D644-R681 IonicContact OD2-CZ 3.53Å; D644-R681 IonicContact OD2-NE 3.61Å; D644-R681 PolarHBondContact OD2-NE 3.39Å; D644-R681 IonicContact OD2-NH2 3.99Å
645	L	97.1	Very high	88.2	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	30%	0.302	C	S	.	.			trans	-133.4	135.4	-174.2	-69.7	176.4	0	0	0	111.1	V508 F510 I526 V643 F676 Y677	V508-L645 HydrophobicContact CB-CD2 4.25Å; V508-L645 HydrophobicContact CG1-CD2 4.02Å; F510-L645 HydrophobicContact CD1-CD1 4.24Å; I526-L645 HydrophobicContact CG2-CB 4.29Å; I526-L645 HydrophobicContact CG2-CD1 3.86Å; V643-L645 HydrophobicContact CB-CD1 4.26Å; V643-L645 HydrophobicContact CB-CG 4.13Å; V643-L645 HydrophobicContact CG1-CD1 4.08Å; V643-L645 HydrophobicContact CG1-CD2 3.8Å; V643-L645 HydrophobicContact CG1-CG 3.69Å; L645-F676 HydrophobicContact CB-CB 4.39Å; L645-F676 HydrophobicContact CD2-CB 4.37Å; L645-Y677 WeakPolarHBondContact CA-O 3.46Å
646	E	96.6	Very high	89.7	Confident	77 Å²	77	54.5 Å²	54.5	36%	0.36	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.6	174.7	-165.6	157.7	132.6	0	0	109.9	F676 Y677 P679 R681	E646-F676 CarbonylContact O-C 3.4Å; E646-F676 VanDerWaalsContact O-CA 3.27Å; E646-F676 WeakPolarHBondContact O-CA 3.43Å; E646-Y677 HydrophobicContact CB-CE1 4.21Å; E646-Y677 PolarHBondContact N-O 3.05Å; E646-Y677 WeakPolarHBondContact O-CD1 3.24Å; E646-Y677 PolarHBondContact O-N 2.97Å; E646-P679 HydrophobicContact CB-CB 4.37Å; E646-P679 HydrophobicContact CB-CG 3.96Å; E646-R681 IonicContact OE2-CZ 2.64Å; E646-R681 IonicContact OE2-NH1 3.63Å; E646-R681 PolarHBondContact OE2-NH1 2.77Å; E646-R681 IonicContact OE2-NH2 3.11Å; E646-R681 PolarHBondContact OE2-NH2 2.92Å; E646-R681 VanDerWaalsContact OE2-NH2 3.16Å
647	S	97.9	Very high	90.9	Very high	12 Å²	12	50.3 Å²	50.3	8%	0.084	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	140.3	174.9	174.1	0	0	0	0	110.1	Y523 Y649 H651	Y523-S647 VanDerWaalsContact OH-CB 3.25Å; Y523-S647 WeakPolarHBondContact OH-CB 3.12Å; S647-Y649 WeakPolarHBondContact CB-O 3.47Å; S647-Y649 PolarHBondContact OG-N 3.23Å; S647-Y649 PolarHBondContact OG-O 3.4Å; S647-H651 PolarHBondContact OG-CE1 3.24Å; S647-H651 VanDerWaalsContact OG-CE1 3.24Å; S647-H651 PolarHBondContact OG-NE2 3.03Å
648	V	97.9	Very high	91.5	Very high	9 Å²	9	54.2 Å²	54.2	6%	0.055	31%	0.314	C	S	.	.	S	Bend	trans	-62	-46.5	167.2	170.2	0	0	0	0	110.9	I675 Y677 L700 A732 F734	V648-I675 HydrophobicContact CB-CB 4.36Å; V648-I675 HydrophobicContact CG2-CB 3.89Å; V648-I675 HydrophobicContact CG2-CG2 3.75Å; V648-I675 WeakPolarHBondContact CG2-O 3.36Å; V648-I675 PolarHBondContact N-O 3.47Å; V648-Y677 HydrophobicContact CG2-CD1 3.8Å; V648-Y677 HydrophobicContact CG2-CE1 4.1Å; V648-L700 HydrophobicContact CG1-CD1 4.05Å; V648-L700 HydrophobicContact CG1-CD2 4.1Å; V648-L700 HydrophobicContact CG2-CD1 4.15Å; V648-A732 HydrophobicContact CG1-CB 3.93Å; V648-A732 HydrophobicContact CG2-CB 3.9Å; V648-F734 HydrophobicContact CG2-CE1 4.03Å; V648-F734 HydrophobicContact CG2-CZ 3.57Å
649	Y	96.8	Very high	91.6	Very high	11 Å²	11	57 Å²	57	4%	0.043	33%	0.332	C	S	.	.			trans	-87.9	149.5	-175.2	-64.9	-90.4	0	0	0	111.3	S647 H651 L704 L706 L730 V731	S647-Y649 WeakPolarHBondContact CB-O 3.47Å; S647-Y649 PolarHBondContact OG-N 3.23Å; S647-Y649 PolarHBondContact OG-O 3.4Å; Y649-H651 PolarHBondContact O-CE1 3.49Å; Y649-H651 PolarHBondContact O-NE2 3.36Å; Y649-H651 VanDerWaalsContact O-NE2 3.14Å; Y649-L704 WeakPolarHBondContact CE1-O 3.3Å; Y649-L704 PolarHBondContact OH-O 3.16Å; Y649-L706 HydrophobicContact CD1-CD1 3.51Å; Y649-L706 HydrophobicContact CD1-CG 3.78Å; Y649-L706 HydrophobicContact CE1-CD1 3.94Å; Y649-L706 HydrophobicContact CE1-CG 3.73Å; Y649-L706 HydrophobicContact CG-CD1 3.95Å; Y649-L730 HydrophobicContact CD2-CD2 3.83Å; Y649-L730 HydrophobicContact CD2-CG 4.13Å; Y649-L730 HydrophobicContact CE2-CB 3.85Å; Y649-L730 HydrophobicContact CE2-CD2 3.76Å; Y649-L730 HydrophobicContact CE2-CG 3.64Å; Y649-V731 PolarHBondContact OH-N 3.1Å; Y649-V731 VanDerWaalsContact OH-N 3.08Å; Y649-V731 PolarHBondContact OH-O 2.85Å
650	K	93.7	Very high	91.5	Very high	153 Å²	153	57.6 Å²	57.6	67%	0.665	34%	0.335	S	S	*	.			trans	-93.6	-12.4	-178.8	-67.7	166.6	-171.4	153.7	0	112.5	V652	K650-V652 HydrophobicContact CB-CG2 4.4Å; K650-V652 PolarHBondContact O-N 2.87Å
651	H	94.6	Very high	91.5	Very high	9 Å²	9	53.8 Å²	53.8	4%	0.042	32%	0.319	C	S	.	.	S	Bend	trans	70.4	11.8	179.1	-42.6	-59.3	0	0	0	114.4	P518 Y523 S647 Y649 P659 E660 Y674	P518-H651 HydrophobicContact CB-CB 3.67Å; P518-H651 VanDerWaalsContact CB-CG 3.42Å; P518-H651 HydrophobicContact CG-CB 3.64Å; Y523-H651 AromaticContact CE2-NE2 3.4Å; Y523-H651 WeakPolarHBondContact CE2-NE2 3.38Å; Y523-H651 AromaticContact CZ-CD2 3.99Å; Y523-H651 AromaticContact CZ-NE2 3.45Å; Y523-H651 PolarHBondContact OH-NE2 2.91Å; S647-H651 PolarHBondContact OG-CE1 3.24Å; S647-H651 VanDerWaalsContact OG-CE1 3.24Å; S647-H651 PolarHBondContact OG-NE2 3.03Å; Y649-H651 PolarHBondContact O-CE1 3.49Å; Y649-H651 PolarHBondContact O-NE2 3.36Å; Y649-H651 VanDerWaalsContact O-NE2 3.14Å; H651-P659 WeakPolarHBondContact O-CA 3.12Å; H651-E660 WeakPolarHBondContact CA-OE2 3.31Å; H651-E660 PolarHBondContact N-OE2 2.97Å; H651-E660 PolarHBondContact O-N 2.92Å; H651-E660 VanDerWaalsContact O-N 3.12Å; H651-Y674 AromaticContact CE1-CD1 3.74Å; H651-Y674 AromaticContact CE1-CE1 3.45Å; H651-Y674 VanDerWaalsContact CE1-CE1 3.45Å; H651-Y674 WeakPolarHBondContact CE1-CE1 3.21Å
652	V	92.2	Very high	91.6	Very high	71 Å²	71	53 Å²	53	43%	0.43	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-143.8	128.9	178.7	-71.6	0	0	0	0	110.2	K650 F658 E660	K650-V652 HydrophobicContact CB-CG2 4.4Å; K650-V652 PolarHBondContact O-N 2.87Å; V652-F658 CarbonylContact C-O 3.56Å; V652-F658 WeakPolarHBondContact CA-O 3.47Å; V652-E660 PolarHBondContact N-OE2 3.26Å
653	L	86.3	Confident	91.8	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.157	29%	0.285	C	S	.	.			trans	-66.3	134.5	-177	-74.7	171.4	0	0	0	111.5	G655 S656 G657 F658 E660	L653-G655 PolarHBondContact O-N 3.28Å; L653-S656 WeakPolarHBondContact CB-OG 3.47Å; L653-S656 PolarHBondContact O-N 2.74Å; L653-G657 PolarHBondContact O-N 3.06Å; L653-F658 PolarHBondContact N-O 3.13Å; L653-E660 HydrophobicContact CD2-CG 3.85Å; L653-E660 HydrophobicContact CG-CG 3.9Å
654	P	80.1	Confident	92	Very high	84 Å²	84	46 Å²	46	55%	0.545	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	136.7	177.1	-29	35.4	0	0	0	113.3	S656	P654-S656 PolarHBondContact O-N 3.37Å
655	G	78.3	Confident	91.9	Very high	95 Å²	95	43.7 Å²	43.7	98%	0.979	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	-39.6	176.9	0	0	0	0	0	116.1	L653	L653-G655 PolarHBondContact O-N 3.28Å
656	S	79.7	Confident	91.8	Very high	66 Å²	66	46.2 Å²	46.2	46%	0.462	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-35.4	-178	71.6	0	0	0	0	113.7	L653 P654 F658	L653-S656 WeakPolarHBondContact CB-OG 3.47Å; L653-S656 PolarHBondContact O-N 2.74Å; P654-S656 PolarHBondContact O-N 3.37Å; S656-F658 PolarHBondContact O-N 3.45Å; S656-F658 PolarHBondContact OG-N 3.07Å
657	G	83.4	Confident	91.6	Very high	51 Å²	51	49.4 Å²	49.4	53%	0.526	30%	0.301	S	S	.	.			trans	71.5	8	-175.6	0	0	0	0	0	114.9	L653	L653-G657 PolarHBondContact O-N 3.06Å
658	F	86.4	Confident	91.3	Very high	118 Å²	118	49.8 Å²	49.8	52%	0.518	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-67.1	150.3	167.2	-71.9	-61.1	0	0	0	110.6	V652 L653 S656	V652-F658 CarbonylContact C-O 3.56Å; V652-F658 WeakPolarHBondContact CA-O 3.47Å; L653-F658 PolarHBondContact N-O 3.13Å; S656-F658 PolarHBondContact O-N 3.45Å; S656-F658 PolarHBondContact OG-N 3.07Å
659	P	91.2	Very high	91.2	Very high	81 Å²	81	50.3 Å²	50.3	53%	0.526	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-62.3	141.5	176.5	27.6	-34.9	0	0	0	111.1	H651	H651-P659 WeakPolarHBondContact O-CA 3.12Å
660	E	93.7	Very high	91.1	Very high	11 Å²	11	51.5 Å²	51.5	5%	0.051	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-73.5	146.4	161.5	-65.5	176.6	112.4	0	0	108.9	H651 V652 L653 T671 L706	H651-E660 WeakPolarHBondContact CA-OE2 3.31Å; H651-E660 PolarHBondContact N-OE2 2.97Å; H651-E660 PolarHBondContact O-N 2.92Å; H651-E660 VanDerWaalsContact O-N 3.12Å; V652-E660 PolarHBondContact N-OE2 3.26Å; L653-E660 HydrophobicContact CD2-CG 3.85Å; L653-E660 HydrophobicContact CG-CG 3.9Å; E660-T671 PolarHBondContact O-OG1 3.25Å; E660-L706 HydrophobicContact CB-CB 3.9Å; E660-L706 HydrophobicContact CB-CD1 3.87Å; E660-L706 HydrophobicContact CG-CB 4.06Å; E660-L706 HydrophobicContact CG-CD1 4.47Å
661	V	96.9	Very high	91.3	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-121.5	144.1	170.5	-60.3	0	0	0	0	110.8	T670 T671 L707 E709 L712	V661-T670 WeakPolarHBondContact CA-O 3.49Å; V661-T670 WeakPolarHBondContact CB-O 3.49Å; V661-T671 WeakPolarHBondContact CA-OG1 3.41Å; V661-L707 WeakPolarHBondContact CG2-O 3.25Å; V661-L707 PolarHBondContact N-O 3.45Å; V661-E709 HydrophobicContact CG1-CB 4.31Å; V661-L712 HydrophobicContact CG2-CD1 3.61Å
662	T	98.3	Very high	91.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	29%	0.292	C	S	.	.	S	Bend	trans	-109.4	-19.4	175.3	68.8	0	0	0	0	112.4	T670 T671 V672 D673 L706 H727 L728 L730	T662-T670 PolarHBondContact N-O 2.98Å; T662-T671 HydrophobicContact CG2-CG2 3.79Å; T662-T671 WeakPolarHBondContact OG1-CA 3.25Å; T662-V672 PolarHBondContact OG1-N 3.3Å; T662-D673 WeakPolarHBondContact CB-OD2 3.48Å; T662-D673 HydrophobicContact CG2-CB 4.19Å; T662-D673 PolarHBondContact OG1-N 3.09Å; T662-D673 VanDerWaalsContact OG1-N 3.16Å; T662-D673 PolarHBondContact OG1-OD2 2.95Å; T662-L706 HydrophobicContact CG2-CD1 3.78Å; T662-L706 HydrophobicContact CG2-CD2 4.19Å; T662-H727 CarbonylContact O-C 3.48Å; T662-H727 WeakPolarHBondContact O-CA 3.21Å; T662-L728 PolarHBondContact O-N 3.27Å; T662-L730 HydrophobicContact CG2-CD1 3.78Å
663	T	98.3	Very high	91.8	Very high	6 Å²	6	41 Å²	41	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.9	174.4	-172.5	0	0	0	0	111.8	G669 T670 V672 D726 H727	T663-G669 WeakPolarHBondContact O-CA 3.35Å; T663-T670 HydrophobicContact CG2-CG2 3.69Å; T663-T670 PolarHBondContact N-O 3.12Å; T663-T670 PolarHBondContact O-N 3.33Å; T663-V672 HydrophobicContact CG2-CG2 3.77Å; T663-D726 CarbonylContact C-O 3.59Å; T663-D726 VanDerWaalsContact CA-O 3.28Å; T663-D726 WeakPolarHBondContact CA-O 3.49Å; T663-D726 PolarHBondContact OG1-O 3.03Å; T663-H727 PolarHBondContact OG1-CD2 3.22Å; T663-H727 PolarHBondContact OG1-NE2 2.79Å; T663-H727 VanDerWaalsContact OG1-NE2 3.11Å
664	L	97.8	Very high	92.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	122.5	172.1	177.4	64.3	0	0	0	111.7	G668 G669 E709 L712 W713 L718 D726	L664-G668 VanDerWaalsContact CD1-C 3.43Å; L664-G669 VanDerWaalsContact CD1-N 3.32Å; L664-E709 HydrophobicContact CD1-CG 4.24Å; L664-L712 HydrophobicContact CB-CD1 4.01Å; L664-L712 HydrophobicContact CD2-CB 3.42Å; L664-L712 VanDerWaalsContact CD2-CB 3.42Å; L664-L712 HydrophobicContact CD2-CD1 4.13Å; L664-L712 HydrophobicContact CD2-CG 4.44Å; L664-W713 HydrophobicContact CD1-CZ2 3.7Å; L664-W713 HydrophobicContact CD2-CD2 4.09Å; L664-W713 HydrophobicContact CD2-CG 4.33Å; L664-W713 HydrophobicContact CD2-CZ2 4.32Å; L664-W713 HydrophobicContact CG-CZ2 4.21Å; L664-L718 HydrophobicContact CB-CB 4.48Å; L664-L718 HydrophobicContact CB-CD1 4.09Å; L664-L718 HydrophobicContact CB-CG 4.27Å; L664-D726 PolarHBondContact N-O 3.33Å
665	H	93.4	Very high	93.3	Very high	26 Å²	26	35.7 Å²	35.7	12%	0.12	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	-175.7	168.2	58	97.5	0	0	0	110.2	L341 Y342 E667 G668	L341-H665 HydrophobicContact CB-CB 4.26Å; Y342-H665 HydrophobicContact CE1-CB 4.28Å; H665-E667 IonicContact CE1-OE2 3.91Å; H665-E667 PolarHBondContact CE1-OE2 2.79Å; H665-E667 PolarHBondContact O-N 3.03Å; H665-G668 PolarHBondContact O-N 3.26Å; H665-G668 VanDerWaalsContact O-N 3.08Å
666	S	94.8	Very high	94.3	Very high	56 Å²	56	31.1 Å²	31.1	39%	0.392	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-9.4	-172	72.3	0	0	0	0	116.2	L341	L341-S666 WeakPolarHBondContact CA-OG 3.35Å; L341-S666 VanDerWaalsContact O-CB 3.32Å; L341-S666 WeakPolarHBondContact O-CB 3.48Å; L341-S666 PolarHBondContact O-N 3.35Å; L341-S666 PolarHBondContact O-OG 2.69Å
667	E	91.6	Very high	95.2	Very high	144 Å²	144	28.8 Å²	28.8	67%	0.673	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-13.9	179.9	-52.3	-167.4	126.6	0	0	113.3	L341 H665	L341-E667 HydrophobicContact CD2-CG 3.96Å; H665-E667 IonicContact CE1-OE2 3.91Å; H665-E667 PolarHBondContact CE1-OE2 2.79Å; H665-E667 PolarHBondContact O-N 3.03Å
668	G	92.8	Very high	95.9	Very high	21 Å²	21	27 Å²	27	22%	0.216	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139	168.9	177	0	0	0	0	0	113.8	L664 H665 E709	L664-G668 VanDerWaalsContact CD1-C 3.43Å; H665-G668 PolarHBondContact O-N 3.26Å; H665-G668 VanDerWaalsContact O-N 3.08Å; G668-E709 WeakPolarHBondContact CA-OE1 3.47Å
669	G	94.5	Very high	96.2	Very high	19 Å²	19	21.8 Å²	21.8	20%	0.196	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	144.5	176.4	0	0	0	0	0	113.2	T663 L664 E709	T663-G669 WeakPolarHBondContact O-CA 3.35Å; L664-G669 VanDerWaalsContact CD1-N 3.32Å; G669-E709 VanDerWaalsContact N-CD 3.27Å; G669-E709 PolarHBondContact N-OE1 3.44Å
670	T	96.1	Very high	96.1	Very high	36 Å²	36	21.5 Å²	21.5	22%	0.221	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	170	174.3	-169	0	0	0	0	112.8	I517 V661 T662 T663 V672	I517-T670 WeakPolarHBondContact CD1-OG1 3.43Å; V661-T670 WeakPolarHBondContact CA-O 3.49Å; V661-T670 WeakPolarHBondContact CB-O 3.49Å; T662-T670 PolarHBondContact N-O 2.98Å; T663-T670 HydrophobicContact CG2-CG2 3.69Å; T663-T670 PolarHBondContact N-O 3.12Å; T663-T670 PolarHBondContact O-N 3.33Å; T670-V672 HydrophobicContact CG2-CG1 3.92Å
671	T	98.1	Very high	95.6	Very high	4 Å²	4	26 Å²	26	3%	0.025	14%	0.138	C	C	.	.			trans	-101.3	124.1	168.2	-75.6	0	0	0	0	109.4	P518 E660 V661 T662 Y674	P518-T671 WeakPolarHBondContact CD-O 3.46Å; P518-T671 HydrophobicContact CG-CG2 3.52Å; E660-T671 PolarHBondContact O-OG1 3.25Å; V661-T671 WeakPolarHBondContact CA-OG1 3.41Å; T662-T671 HydrophobicContact CG2-CG2 3.79Å; T662-T671 WeakPolarHBondContact OG1-CA 3.25Å; T671-Y674 HydrophobicContact CG2-CE1 3.99Å
672	V	98.5	Very high	94.1	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.036	17%	0.17	C	C	.	.			trans	-135.8	-18	174.9	-66.8	0	0	0	0	113.7	F514 T662 T663 T670 Y674	F514-V672 PolarHBondContact N-O 2.96Å; T662-V672 PolarHBondContact OG1-N 3.3Å; T663-V672 HydrophobicContact CG2-CG2 3.77Å; T670-V672 HydrophobicContact CG2-CG1 3.92Å; V672-Y674 VanDerWaalsContact O-CD2 3.27Å; V672-Y674 WeakPolarHBondContact O-CD2 3.48Å; V672-Y674 WeakPolarHBondContact O-CE2 3.06Å
673	D	98.8	Very high	92.3	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.6	177.3	-51.5	-97.4	0	0	0	110.5	G512 T662 H727 L730	G512-D673 WeakPolarHBondContact O-CA 3.21Å; T662-D673 WeakPolarHBondContact CB-OD2 3.48Å; T662-D673 HydrophobicContact CG2-CB 4.19Å; T662-D673 PolarHBondContact OG1-N 3.09Å; T662-D673 VanDerWaalsContact OG1-N 3.16Å; T662-D673 PolarHBondContact OG1-OD2 2.95Å; D673-H727 VanDerWaalsContact CG-ND1 3.29Å; D673-H727 IonicContact OD1-CE1 3.54Å; D673-H727 IonicContact OD1-ND1 3.27Å; D673-H727 PolarHBondContact OD1-ND1 2.89Å; D673-H727 VanDerWaalsContact OD1-ND1 3.08Å; D673-H727 IonicContact OD2-CE1 2.97Å; D673-H727 IonicContact OD2-CG 3.97Å; D673-H727 IonicContact OD2-ND1 3.82Å; D673-H727 PolarHBondContact OD2-ND1 3.12Å; D673-L730 HydrophobicContact CB-CD1 3.73Å; D673-L730 HydrophobicContact CB-CD2 4.1Å; D673-L730 WeakPolarHBondContact O-CD2 3.24Å
674	Y	98.8	Very high	90.5	Very high	3 Å²	3	36 Å²	36	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.1	179.3	-60	-87.3	0	0	0	112.4	C511 G512 F514 S516 I517 P518 Y523 H651 T671 V672 F676	C511-Y674 WeakPolarHBondContact CA-O 3.45Å; G512-Y674 PolarHBondContact N-O 3.23Å; G512-Y674 PolarHBondContact O-N 3.33Å; F514-Y674 HydrophobicContact CB-CD2 3.96Å; F514-Y674 HydrophobicContact CB-CE2 4.11Å; F514-Y674 AromaticContact CD2-CD2 3.64Å; F514-Y674 HydrophobicContact CD2-CD2 3.64Å; F514-Y674 HydrophobicContact CD2-CG 4.34Å; F514-Y674 HydrophobicContact CE2-CD2 4.42Å; F514-Y674 AromaticContact CG-CD2 4Å; F514-Y674 HydrophobicContact CG-CD2 4Å; S516-Y674 WeakPolarHBondContact O-CE2 3.16Å; S516-Y674 PolarHBondContact O-OH 3.38Å; I517-Y674 VanDerWaalsContact C-OH 3.27Å; P518-Y674 WeakPolarHBondContact CA-OH 3.41Å; P518-Y674 WeakPolarHBondContact CD-OH 3.36Å; P518-Y674 HydrophobicContact CG-CE1 4.2Å; P518-Y674 WeakPolarHBondContact CG-OH 3.46Å; Y523-Y674 HydrophobicContact CD2-CD1 4.05Å; Y523-Y674 AromaticContact CD2-CE1 3.4Å; Y523-Y674 HydrophobicContact CD2-CE1 3.4Å; Y523-Y674 AromaticContact CD2-CZ 3.7Å; Y523-Y674 AromaticContact CE2-CD1 3.82Å; Y523-Y674 HydrophobicContact CE2-CD1 3.82Å; Y523-Y674 AromaticContact CE2-CE1 3.4Å; Y523-Y674 HydrophobicContact CE2-CE1 3.4Å; H651-Y674 AromaticContact CE1-CD1 3.74Å; H651-Y674 AromaticContact CE1-CE1 3.45Å; H651-Y674 VanDerWaalsContact CE1-CE1 3.45Å; H651-Y674 WeakPolarHBondContact CE1-CE1 3.21Å; T671-Y674 HydrophobicContact CG2-CE1 3.99Å; V672-Y674 VanDerWaalsContact O-CD2 3.27Å; V672-Y674 WeakPolarHBondContact O-CD2 3.48Å; V672-Y674 WeakPolarHBondContact O-CE2 3.06Å; Y674-F676 HydrophobicContact CD1-CE1 4.22Å; Y674-F676 HydrophobicContact CD1-CE2 4.17Å; Y674-F676 AromaticContact CD1-CZ 3.67Å; Y674-F676 HydrophobicContact CD1-CZ 3.67Å; Y674-F676 HydrophobicContact CD2-CE2 4Å; Y674-F676 HydrophobicContact CD2-CZ 4.1Å; Y674-F676 HydrophobicContact CE1-CZ 4.34Å; Y674-F676 HydrophobicContact CG-CD2 4.43Å; Y674-F676 HydrophobicContact CG-CE1 4.41Å; Y674-F676 AromaticContact CG-CE2 3.55Å; Y674-F676 HydrophobicContact CG-CE2 3.55Å; Y674-F676 AromaticContact CG-CZ 3.53Å; Y674-F676 HydrophobicContact CG-CZ 3.53Å
675	I	98.9	Very high	88.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	104.7	154.2	-57.8	179.1	0	0	0	106	V324 V509 V648 L730 A732 F734	V324-I675 HydrophobicContact CG1-CD1 4.25Å; V509-I675 HydrophobicContact CG1-CG2 4.2Å; V648-I675 HydrophobicContact CB-CB 4.36Å; V648-I675 HydrophobicContact CG2-CB 3.89Å; V648-I675 HydrophobicContact CG2-CG2 3.75Å; V648-I675 WeakPolarHBondContact CG2-O 3.36Å; V648-I675 PolarHBondContact N-O 3.47Å; I675-L730 HydrophobicContact CD1-CB 3.85Å; I675-L730 HydrophobicContact CG1-CB 4Å; I675-L730 HydrophobicContact CG1-CD2 4.29Å; I675-A732 HydrophobicContact CD1-CB 4.09Å; I675-F734 HydrophobicContact CG2-CE2 4.26Å; I675-F734 HydrophobicContact CG2-CZ 4.05Å
676	F	98.9	Very high	86.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.2	165.7	-61.2	-75.3	0	0	0	109.6	V509 F510 F514 Y523 I526 T527 L645 E646 Y674	V509-F676 CarbonylContact C-O 3.54Å; V509-F676 WeakPolarHBondContact CA-O 3.44Å; F510-F676 HydrophobicContact CB-CB 4.33Å; F510-F676 PolarHBondContact N-O 3.1Å; F510-F676 PolarHBondContact O-N 3.15Å; F514-F676 HydrophobicContact CD1-CE2 4.42Å; F514-F676 HydrophobicContact CD2-CE2 4.23Å; F514-F676 HydrophobicContact CE1-CD2 4.41Å; F514-F676 HydrophobicContact CE1-CE2 4.08Å; F514-F676 HydrophobicContact CE2-CD2 4.05Å; F514-F676 AromaticContact CE2-CE2 3.86Å; F514-F676 HydrophobicContact CE2-CE2 3.86Å; F514-F676 HydrophobicContact CG-CE2 4.49Å; F514-F676 AromaticContact CZ-CD2 3.81Å; F514-F676 HydrophobicContact CZ-CD2 3.81Å; F514-F676 AromaticContact CZ-CE2 3.79Å; F514-F676 HydrophobicContact CZ-CE2 3.79Å; Y523-F676 HydrophobicContact CD2-CE1 4.08Å; Y523-F676 AromaticContact CD2-CZ 3.84Å; Y523-F676 HydrophobicContact CD2-CZ 3.84Å; Y523-F676 AromaticContact CE2-CE1 3.68Å; Y523-F676 HydrophobicContact CE2-CE1 3.68Å; Y523-F676 AromaticContact CE2-CZ 3.87Å; Y523-F676 HydrophobicContact CE2-CZ 3.87Å; I526-F676 HydrophobicContact CB-CZ 4.35Å; I526-F676 HydrophobicContact CD1-CE2 3.76Å; I526-F676 HydrophobicContact CD1-CZ 4.01Å; I526-F676 HydrophobicContact CG2-CD1 3.8Å; I526-F676 HydrophobicContact CG2-CD2 3.9Å; I526-F676 HydrophobicContact CG2-CE1 3.83Å; I526-F676 HydrophobicContact CG2-CE2 3.91Å; I526-F676 HydrophobicContact CG2-CG 3.84Å; I526-F676 HydrophobicContact CG2-CZ 3.88Å; T527-F676 HydrophobicContact CG2-CD1 4.12Å; T527-F676 HydrophobicContact CG2-CE1 3.68Å; L645-F676 HydrophobicContact CB-CB 4.39Å; L645-F676 HydrophobicContact CD2-CB 4.37Å; E646-F676 CarbonylContact O-C 3.4Å; E646-F676 VanDerWaalsContact O-CA 3.27Å; E646-F676 WeakPolarHBondContact O-CA 3.43Å; Y674-F676 HydrophobicContact CD1-CE1 4.22Å; Y674-F676 HydrophobicContact CD1-CE2 4.17Å; Y674-F676 AromaticContact CD1-CZ 3.67Å; Y674-F676 HydrophobicContact CD1-CZ 3.67Å; Y674-F676 HydrophobicContact CD2-CE2 4Å; Y674-F676 HydrophobicContact CD2-CZ 4.1Å; Y674-F676 HydrophobicContact CE1-CZ 4.34Å; Y674-F676 HydrophobicContact CG-CD2 4.43Å; Y674-F676 HydrophobicContact CG-CE1 4.41Å; Y674-F676 AromaticContact CG-CE2 3.55Å; Y674-F676 HydrophobicContact CG-CE2 3.55Å; Y674-F676 AromaticContact CG-CZ 3.53Å; Y674-F676 HydrophobicContact CG-CZ 3.53Å
677	Y	98.6	Very high	84.7	Confident	16 Å²	16	53.9 Å²	53.9	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.9	177.9	71.9	-76.1	0	0	0	111.5	V508 L645 E646 V648 P679 L698 L700 F734	V508-Y677 CarbonylContact O-C 3.49Å; V508-Y677 VanDerWaalsContact O-CA 3.28Å; V508-Y677 WeakPolarHBondContact O-CA 3.39Å; L645-Y677 WeakPolarHBondContact CA-O 3.46Å; E646-Y677 HydrophobicContact CB-CE1 4.21Å; E646-Y677 PolarHBondContact N-O 3.05Å; E646-Y677 WeakPolarHBondContact O-CD1 3.24Å; E646-Y677 PolarHBondContact O-N 2.97Å; V648-Y677 HydrophobicContact CG2-CD1 3.8Å; V648-Y677 HydrophobicContact CG2-CE1 4.1Å; Y677-P679 HydrophobicContact CD2-CB 4.21Å; Y677-P679 HydrophobicContact CE2-CB 3.6Å; Y677-P679 VanDerWaalsContact O-CD 3.25Å; Y677-P679 WeakPolarHBondContact O-CD 3.33Å; Y677-L698 HydrophobicContact CD2-CB 4.12Å; Y677-L700 HydrophobicContact CE1-CD2 4.45Å; Y677-L700 HydrophobicContact CE2-CB 4.18Å; Y677-F734 AromaticContact CD1-CE1 3.76Å; Y677-F734 HydrophobicContact CD1-CE1 3.76Å; Y677-F734 HydrophobicContact CD1-CZ 4.14Å; Y677-F734 HydrophobicContact CD2-CD1 4.09Å; Y677-F734 AromaticContact CD2-CE1 3.58Å; Y677-F734 HydrophobicContact CD2-CE1 3.58Å; Y677-F734 HydrophobicContact CD2-CZ 4.49Å; Y677-F734 HydrophobicContact CE1-CE1 4.26Å; Y677-F734 HydrophobicContact CE2-CD1 4.47Å; Y677-F734 HydrophobicContact CE2-CE1 4.06Å; Y677-F734 HydrophobicContact CG-CD1 4.32Å; Y677-F734 AromaticContact CG-CE1 3.4Å; Y677-F734 HydrophobicContact CG-CE1 3.4Å; Y677-F734 VanDerWaalsContact CG-CE1 3.4Å; Y677-F734 AromaticContact CG-CZ 3.91Å; Y677-F734 HydrophobicContact CG-CZ 3.91Å
678	S	96.9	Very high	83	Confident	13 Å²	13	55.1 Å²	55.1	9%	0.091	27%	0.27	C	S	.	.			trans	-83.6	106.1	172.9	63	0	0	0	0	110.5	V508 D644 L698	V508-S678 PolarHBondContact N-OG 3.2Å; V508-S678 PolarHBondContact O-N 3.41Å; V508-S678 PolarHBondContact O-OG 2.79Å; D644-S678 WeakPolarHBondContact O-CA 3.22Å; S678-L698 PolarHBondContact O-N 2.85Å
679	P	94.3	Very high	81.1	Confident	10 Å²	10	57.9 Å²	57.9	7%	0.065	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-83.1	150.7	-167.6	34.5	-37.1	0	0	0	112.9	E646 Y677 R681 L698	E646-P679 HydrophobicContact CB-CB 4.37Å; E646-P679 HydrophobicContact CB-CG 3.96Å; Y677-P679 HydrophobicContact CD2-CB 4.21Å; Y677-P679 HydrophobicContact CE2-CB 3.6Å; Y677-P679 VanDerWaalsContact O-CD 3.25Å; Y677-P679 WeakPolarHBondContact O-CD 3.33Å; P679-R681 PolarHBondContact O-N 2.82Å; P679-L698 CarbonylContact C-O 3.52Å; P679-L698 WeakPolarHBondContact CA-O 3.3Å
680	K	88.5	Confident	79	Confident	75 Å²	75	66.1 Å²	66.1	33%	0.326	32%	0.317	S	S	.	.			trans	-70.5	82.3	176.6	-161.6	-173.7	-174.1	-175.1	0	112.2	G695 L698 E737	K680-G695 WeakPolarHBondContact CE-O 3.3Å; K680-G695 WeakPolarHBondContact CG-O 3.49Å; K680-L698 WeakPolarHBondContact CB-O 3.49Å; K680-L698 PolarHBondContact N-O 3.5Å; K680-E737 WeakPolarHBondContact CE-OE2 3.31Å; K680-E737 IonicContact NZ-OE1 3.3Å; K680-E737 PolarHBondContact NZ-OE1 2.96Å; K680-E737 IonicContact NZ-OE2 3.97Å; K680-E737 PolarHBondContact NZ-OE2 3.47Å
681	R	82.3	Confident	76.5	Confident	104 Å²	104	73.9 Å²	73.9	39%	0.392	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.1	131.2	-177.5	-60.8	-60.7	-172.1	-162.6	-4.3	111.7	D644 E646 P679	D644-R681 IonicContact OD1-CZ 2.79Å; D644-R681 IonicContact OD1-NE 3.47Å; D644-R681 PolarHBondContact OD1-NE 3.21Å; D644-R681 IonicContact OD1-NH2 2.81Å; D644-R681 PolarHBondContact OD1-NH2 3.15Å; D644-R681 WeakPolarHBondContact OD2-CG 3.26Å; D644-R681 IonicContact OD2-CZ 3.53Å; D644-R681 IonicContact OD2-NE 3.61Å; D644-R681 PolarHBondContact OD2-NE 3.39Å; D644-R681 IonicContact OD2-NH2 3.99Å; E646-R681 IonicContact OE2-CZ 2.64Å; E646-R681 IonicContact OE2-NH1 3.63Å; E646-R681 PolarHBondContact OE2-NH1 2.77Å; E646-R681 IonicContact OE2-NH2 3.11Å; E646-R681 PolarHBondContact OE2-NH2 2.92Å; E646-R681 VanDerWaalsContact OE2-NH2 3.16Å; P679-R681 PolarHBondContact O-N 2.82Å
682	P	66.1	Low	74.1	Confident	105 Å²	105	77.2 Å²	77.2	68%	0.682	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-69.8	133.7	-179.4	27.2	-34.3	0	0	0	112.1	T684	P682-T684 PolarHBondContact O-N 3.3Å
683	L	61.5	Low	71.6	Confident	42 Å²	42	81.5 Å²	81.5	22%	0.22	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-50	125.8	-176.4	-69	172.1	0	0	0	112.6	Q687 R688	L683-Q687 HydrophobicContact CB-CB 4.4Å; L683-Q687 HydrophobicContact CD2-CB 4.02Å; L683-R688 HydrophobicContact CB-CG 3.91Å; L683-R688 PolarHBondContact O-NE 3.34Å; L683-R688 PolarHBondContact O-NH2 2.82Å
684	T	58.9	Low	69.3	Low	75 Å²	75	83.4 Å²	83.4	46%	0.46	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-64.9	159.2	179	66.1	0	0	0	0	111.7	P682 K686 Q687 R688	P682-T684 PolarHBondContact O-N 3.3Å; T684-K686 PolarHBondContact O-N 2.93Å; T684-Q687 PolarHBondContact O-N 2.92Å; T684-Q687 PolarHBondContact OG1-N 3.25Å; T684-Q687 PolarHBondContact OG1-OE1 3.31Å; T684-R688 WeakPolarHBondContact O-CG 3.32Å; T684-R688 PolarHBondContact O-N 2.85Å
685	K	55	Low	67.4	Low	198 Å²	198	83.9 Å²	83.9	86%	0.861	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.9	177.6	-67.5	-176	179.4	179.6	0	113.8
686	K	54.5	Low	66.3	Low	172 Å²	172	89.2 Å²	89.2	75%	0.748	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-48.5	173.6	-69.8	-172.7	178.4	-178.9	0	112	T684 R688 A689 Y690	T684-K686 PolarHBondContact O-N 2.93Å; K686-R688 VanDerWaalsContact C-N 3.33Å; K686-R688 PolarHBondContact O-N 3.43Å; K686-A689 WeakPolarHBondContact O-CB 3.18Å; K686-A689 PolarHBondContact O-N 2.92Å; K686-A689 VanDerWaalsContact O-N 3.07Å; K686-Y690 WeakPolarHBondContact O-CD2 3.43Å
687	Q	54.4	Low	65.9	Low	87 Å²	87	89.7 Å²	89.7	41%	0.407	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-40.1	179.2	-71.6	155.2	-48	0	0	112	L683 T684 A689 Y690	L683-Q687 HydrophobicContact CB-CB 4.4Å; L683-Q687 HydrophobicContact CD2-CB 4.02Å; T684-Q687 PolarHBondContact O-N 2.92Å; T684-Q687 PolarHBondContact OG1-N 3.25Å; T684-Q687 PolarHBondContact OG1-OE1 3.31Å; Q687-A689 PolarHBondContact O-N 2.81Å; Q687-A689 VanDerWaalsContact O-N 3.13Å; Q687-Y690 PolarHBondContact O-N 3.43Å
688	R	56.1	Low	65.7	Low	169 Å²	169	89 Å²	89	64%	0.638	45%	0.45	S	S	*	.	H	α-helix	trans	-56.2	-28	174	-67.4	-176.4	-166.7	-148	-0.6	113.7	L683 T684 K686	L683-R688 HydrophobicContact CB-CG 3.91Å; L683-R688 PolarHBondContact O-NE 3.34Å; L683-R688 PolarHBondContact O-NH2 2.82Å; T684-R688 WeakPolarHBondContact O-CG 3.32Å; T684-R688 PolarHBondContact O-N 2.85Å; K686-R688 VanDerWaalsContact C-N 3.33Å; K686-R688 PolarHBondContact O-N 3.43Å
689	A	52.4	Low	65.6	Low	80 Å²	80	91.4 Å²	91.4	66%	0.661	46%	0.459	S	S	*	.	H	α-helix	trans	-78.8	-21	178.3	0	0	0	0	0	113.6	K686 Q687	K686-A689 WeakPolarHBondContact O-CB 3.18Å; K686-A689 PolarHBondContact O-N 2.92Å; K686-A689 VanDerWaalsContact O-N 3.07Å; Q687-A689 PolarHBondContact O-N 2.81Å; Q687-A689 VanDerWaalsContact O-N 3.13Å
690	Y	51.5	Low	65.7	Low	191 Å²	191	91.8 Å²	91.8	75%	0.749	46%	0.46	S	S	*	.	H	α-helix	trans	-100.4	0.6	-176.1	-77.6	-72.8	0	0	0	114.6	K686 Q687 T692	K686-Y690 WeakPolarHBondContact O-CD2 3.43Å; Q687-Y690 PolarHBondContact O-N 3.43Å; Y690-T692 PolarHBondContact O-N 3.3Å; Y690-T692 VanDerWaalsContact O-N 3.14Å
691	K	44	Very low	66	Low	199 Å²	199	89.2 Å²	89.2	87%	0.865	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	31.6	-177	-67.9	-172	172.2	-173.2	0	114.3
692	T	46.5	Very low	66.7	Low	75 Å²	75	84.2 Å²	84.2	46%	0.46	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-59.8	149.3	164.1	51.6	0	0	0	0	109.5	Y690	Y690-T692 PolarHBondContact O-N 3.3Å; Y690-T692 VanDerWaalsContact O-N 3.14Å
693	S	46.3	Very low	68.2	Low	95 Å²	95	79.8 Å²	79.8	66%	0.664	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-58.1	173.5	176.2	43.5	0	0	0	0	113.1
694	G	51.1	Low	69.9	Low	42 Å²	42	77.8 Å²	77.8	43%	0.433	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-49.7	155.9	-171.2	0	0	0	0	0	115	K696	G694-K696 PolarHBondContact O-N 2.84Å
695	G	58.6	Low	71.6	Confident	13 Å²	13	74.8 Å²	74.8	13%	0.134	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-59	124.2	173	0	0	0	0	0	109.5	K680	K680-G695 WeakPolarHBondContact CE-O 3.3Å; K680-G695 WeakPolarHBondContact CG-O 3.49Å
696	K	77.1	Confident	73.6	Confident	113 Å²	113	65.5 Å²	65.5	49%	0.491	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-80.2	155.9	-179.8	-56.2	-164.5	173.2	-158.1	0	110.8	H505 G694	H505-K696 HydrophobicContact CB-CD 3.81Å; G694-K696 PolarHBondContact O-N 2.84Å
697	G	88.8	Confident	75.5	Confident	9 Å²	9	57.6 Å²	57.6	9%	0.093	30%	0.3	C	S	.	.	S	Bend	trans	119.2	170.6	-174.9	0	0	0	0	0	112.5	N507	N507-G697 WeakPolarHBondContact OD1-CA 3.44Å
698	L	94.4	Very high	77.5	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-84.5	139.6	-179.6	-62.9	169.6	0	0	0	111	F322 L464 N507 V509 Y677 S678 P679 K680 F734 L736	F322-L698 HydrophobicContact CE1-CD2 3.85Å; F322-L698 HydrophobicContact CZ-CD1 4.25Å; F322-L698 HydrophobicContact CZ-CD2 4.02Å; L464-L698 HydrophobicContact CD1-CD1 4.05Å; N507-L698 HydrophobicContact CB-CD1 4.28Å; N507-L698 HydrophobicContact CB-CD2 4.15Å; N507-L698 HydrophobicContact CB-CG 3.98Å; V509-L698 HydrophobicContact CG2-CD1 3.74Å; Y677-L698 HydrophobicContact CD2-CB 4.12Å; S678-L698 PolarHBondContact O-N 2.85Å; P679-L698 CarbonylContact C-O 3.52Å; P679-L698 WeakPolarHBondContact CA-O 3.3Å; K680-L698 WeakPolarHBondContact CB-O 3.49Å; K680-L698 PolarHBondContact N-O 3.5Å; L698-F734 HydrophobicContact CB-CD1 4.23Å; L698-F734 HydrophobicContact CD1-CG 4.48Å; L698-L736 HydrophobicContact CD2-CB 4.08Å; L698-L736 HydrophobicContact CD2-CD1 3.91Å
699	K	94.9	Very high	79.4	Confident	64 Å²	64	49.5 Å²	49.5	28%	0.278	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.8	165.6	178.3	-172.6	174.1	-169.7	0	108.4	D303 F734 Q735	D303-K699 IonicContact OD1-NZ 3.19Å; D303-K699 WeakPolarHBondContact OD2-CE 3.33Å; D303-K699 IonicContact OD2-NZ 2.76Å; D303-K699 PolarHBondContact OD2-NZ 3.38Å; K699-F734 CarbonylContact O-C 3.58Å; K699-F734 VanDerWaalsContact O-CA 3.28Å; K699-F734 WeakPolarHBondContact O-CA 3.34Å; K699-Q735 HydrophobicContact CB-CB 4.25Å; K699-Q735 PolarHBondContact N-O 3.01Å; K699-Q735 PolarHBondContact O-N 3.12Å
700	L	96.2	Very high	81.4	Confident	18 Å²	18	51.2 Å²	51.2	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.5	165.5	-179.8	65.4	0	0	0	108.7	V302 V648 Y677 A732 F734	V302-L700 HydrophobicContact CG2-CD2 3.96Å; V302-L700 HydrophobicContact CG2-CG 3.95Å; V648-L700 HydrophobicContact CG1-CD1 4.05Å; V648-L700 HydrophobicContact CG1-CD2 4.1Å; V648-L700 HydrophobicContact CG2-CD1 4.15Å; Y677-L700 HydrophobicContact CE1-CD2 4.45Å; Y677-L700 HydrophobicContact CE2-CB 4.18Å; L700-A732 HydrophobicContact CD1-CB 4.26Å; L700-F734 HydrophobicContact CB-CD1 4.32Å; L700-F734 HydrophobicContact CB-CE1 4.3Å; L700-F734 HydrophobicContact CD1-CD1 4.02Å; L700-F734 HydrophobicContact CD1-CE1 3.68Å; L700-F734 HydrophobicContact CD1-CZ 4.27Å
701	V	96.2	Very high	83.4	Confident	21 Å²	21	45 Å²	45	13%	0.127	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-43.3	178.9	-178.9	0	0	0	0	110.3	D301 V302 R733 Q735	D301-V701 WeakPolarHBondContact CA-O 3.38Å; V302-V701 PolarHBondContact N-O 2.9Å; V701-R733 HydrophobicContact CB-CB 4.38Å; V701-R733 HydrophobicContact CB-CG 4.38Å; V701-R733 WeakPolarHBondContact CB-O 3.43Å; V701-R733 PolarHBondContact N-O 2.93Å; V701-Q735 HydrophobicContact CG2-CB 3.63Å
702	G	96.5	Very high	85.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	174.6	179.3	0	0	0	0	0	113.1	W299 E300 R733	W299-G702 WeakPolarHBondContact CZ2-O 3.36Å; E300-G702 CarbonylContact O-C 3.55Å; E300-G702 WeakPolarHBondContact O-CA 3.38Å; G702-R733 PolarHBondContact N-O 2.8Å; G702-R733 PolarHBondContact O-N 3.02Å
703	S	97.4	Very high	88.2	Confident	11 Å²	11	36.3 Å²	36.3	8%	0.077	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.2	-179	46.3	0	0	0	0	112.3	E300 V731	E300-S703 PolarHBondContact N-O 2.9Å; E300-S703 PolarHBondContact O-N 3.45Å; S703-V731 WeakPolarHBondContact CA-O 3.37Å; S703-V731 WeakPolarHBondContact CB-O 3.35Å
704	L	97.1	Very high	90.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.6	176.8	-179.7	64.5	0	0	0	110.7	R297 W299 W366 Y649 V731	R297-L704 HydrophobicContact CB-CD1 3.74Å; R297-L704 HydrophobicContact CB-CG 4.07Å; R297-L704 PolarHBondContact NH2-O 3.49Å; R297-L704 VanDerWaalsContact NH2-O 3.15Å; W299-L704 HydrophobicContact CE3-CB 4.16Å; W299-L704 HydrophobicContact CZ3-CB 4.14Å; W366-L704 HydrophobicContact CD2-CD2 3.98Å; W366-L704 VanDerWaalsContact CE2-CD2 3.41Å; W366-L704 HydrophobicContact CE3-CD2 4.46Å; W366-L704 HydrophobicContact CH2-CD1 3.37Å; W366-L704 HydrophobicContact CH2-CD2 4.02Å; W366-L704 HydrophobicContact CH2-CG 4.34Å; W366-L704 HydrophobicContact CZ2-CD1 3.6Å; W366-L704 HydrophobicContact CZ2-CD2 3.46Å; W366-L704 VanDerWaalsContact CZ2-CD2 3.46Å; W366-L704 HydrophobicContact CZ2-CG 4.19Å; W366-L704 HydrophobicContact CZ3-CD1 3.95Å; W366-L704 HydrophobicContact CZ3-CD2 4.48Å; Y649-L704 WeakPolarHBondContact CE1-O 3.3Å; Y649-L704 PolarHBondContact OH-O 3.16Å; L704-V731 HydrophobicContact CB-CB 3.86Å; L704-V731 HydrophobicContact CB-CG2 4.4Å; L704-V731 HydrophobicContact CD2-CB 4.23Å; L704-V731 HydrophobicContact CD2-CG2 3.87Å; L704-V731 PolarHBondContact N-O 3.29Å
705	S	95.4	Very high	92.5	Very high	12 Å²	12	35.2 Å²	35.2	8%	0.084	19%	0.186	C	C	.	.			trans	-48.1	141.3	-174.2	75	0	0	0	0	113.2	R297 V298 E300	R297-S705 PolarHBondContact NE-O 2.71Å; R297-S705 PolarHBondContact NH2-O 2.91Å; V298-S705 PolarHBondContact N-OG 3.46Å; V298-S705 WeakPolarHBondContact O-CB 3.19Å; V298-S705 PolarHBondContact O-N 3.19Å; V298-S705 PolarHBondContact O-OG 3.3Å; E300-S705 WeakPolarHBondContact OE1-CB 3.35Å
706	L	96.2	Very high	94.2	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	20%	0.203	C	C	.	.			trans	-84.8	-178.9	167.5	-69.2	171.4	0	0	0	110.6	Y649 E660 T662 L728 L730	Y649-L706 HydrophobicContact CD1-CD1 3.51Å; Y649-L706 HydrophobicContact CD1-CG 3.78Å; Y649-L706 HydrophobicContact CE1-CD1 3.94Å; Y649-L706 HydrophobicContact CE1-CG 3.73Å; Y649-L706 HydrophobicContact CG-CD1 3.95Å; E660-L706 HydrophobicContact CB-CB 3.9Å; E660-L706 HydrophobicContact CB-CD1 3.87Å; E660-L706 HydrophobicContact CG-CB 4.06Å; E660-L706 HydrophobicContact CG-CD1 4.47Å; T662-L706 HydrophobicContact CG2-CD1 3.78Å; T662-L706 HydrophobicContact CG2-CD2 4.19Å; L706-L728 HydrophobicContact CD2-CB 4.39Å; L706-L728 HydrophobicContact CD2-CD1 4.38Å; L706-L730 HydrophobicContact CD2-CD1 4.25Å
707	L	95.4	Very high	95.2	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-123	166.7	-177.3	-55.7	177.7	0	0	0	110.1	W296 R297 V661 L711 L712 F723 L728	W296-L707 VanDerWaalsContact O-CD2 3.3Å; W296-L707 WeakPolarHBondContact O-CD2 3.39Å; R297-L707 HydrophobicContact CG-CD1 4.22Å; R297-L707 HydrophobicContact CG-CD2 4.06Å; R297-L707 HydrophobicContact CG-CG 4.21Å; V661-L707 WeakPolarHBondContact CG2-O 3.25Å; V661-L707 PolarHBondContact N-O 3.45Å; L707-L711 HydrophobicContact CB-CD2 4.39Å; L707-L711 HydrophobicContact CD2-CD2 3.77Å; L707-L712 HydrophobicContact CB-CD2 4.35Å; L707-L712 HydrophobicContact CB-CG 4.21Å; L707-L712 HydrophobicContact CD1-CD2 3.66Å; L707-L712 HydrophobicContact CD1-CG 4.41Å; L707-F723 HydrophobicContact CD1-CE2 3.87Å; L707-F723 HydrophobicContact CD1-CZ 3.88Å; L707-L728 HydrophobicContact CB-CD1 4.21Å; L707-L728 HydrophobicContact CD1-CD1 4.14Å; L707-L728 HydrophobicContact CG-CD1 4.13Å
708	S	95.1	Very high	95.6	Very high	19 Å²	19	33 Å²	33	13%	0.133	18%	0.175	C	C	.	.			trans	-90.7	156.6	168.3	59.4	0	0	0	0	111.2	D710 L711 L712	S708-D710 VanDerWaalsContact C-N 3.32Å; S708-D710 PolarHBondContact O-N 2.81Å; S708-L711 PolarHBondContact O-N 2.85Å; S708-L711 WeakPolarHBondContact OG-CB 3.47Å; S708-L711 PolarHBondContact OG-N 3.25Å; S708-L712 PolarHBondContact O-N 3.33Å; S708-L712 VanDerWaalsContact O-N 3.08Å
709	E	95.6	Very high	95.8	Very high	68 Å²	68	33 Å²	33	32%	0.318	17%	0.174	S	C	.	.	H	α-helix	trans	-54.4	-45.2	171.4	171.9	168.2	-154.3	0	0	112.1	V661 L664 G668 G669 L711 L712 W713	V661-E709 HydrophobicContact CG1-CB 4.31Å; L664-E709 HydrophobicContact CD1-CG 4.24Å; G668-E709 WeakPolarHBondContact CA-OE1 3.47Å; G669-E709 VanDerWaalsContact N-CD 3.27Å; G669-E709 PolarHBondContact N-OE1 3.44Å; E709-L711 VanDerWaalsContact C-N 3.29Å; E709-L711 PolarHBondContact O-N 3.16Å; E709-L712 PolarHBondContact O-N 3.37Å; E709-W713 VanDerWaalsContact CG-CD1 3.43Å; E709-W713 PolarHBondContact O-N 3.25Å; E709-W713 PolarHBondContact OE1-NE1 3.41Å; E709-W713 VanDerWaalsContact OE1-NE1 3.13Å
710	D	94.4	Very high	95.9	Very high	116 Å²	116	30.2 Å²	30.2	62%	0.62	16%	0.163	S	C	*	.	H	α-helix	trans	-57.2	-40.4	177.9	-67.5	-43.7	0	0	0	112.8	S708 S714	S708-D710 VanDerWaalsContact C-N 3.32Å; S708-D710 PolarHBondContact O-N 2.81Å; D710-S714 PolarHBondContact O-N 3.48Å
711	L	93.6	Very high	95.9	Very high	60 Å²	60	33.9 Å²	33.9	31%	0.314	18%	0.179	S	C	.	.	H	α-helix	trans	-71	-41.3	-180	179.5	56.2	0	0	0	110.8	W296 L707 S708 E709 S714 L715	W296-L711 HydrophobicContact CZ3-CD1 4.45Å; L707-L711 HydrophobicContact CB-CD2 4.39Å; L707-L711 HydrophobicContact CD2-CD2 3.77Å; S708-L711 PolarHBondContact O-N 2.85Å; S708-L711 WeakPolarHBondContact OG-CB 3.47Å; S708-L711 PolarHBondContact OG-N 3.25Å; E709-L711 VanDerWaalsContact C-N 3.29Å; E709-L711 PolarHBondContact O-N 3.16Å; L711-S714 WeakPolarHBondContact O-CB 3.21Å; L711-S714 PolarHBondContact O-N 3.01Å; L711-S714 PolarHBondContact O-OG 3.39Å; L711-L715 PolarHBondContact O-N 3.31Å
712	L	96.1	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-39.3	174.1	-69.9	177.8	0	0	0	112.4	V661 L664 L707 S708 E709 S714 L715 G717 L718 F723 L728	V661-L712 HydrophobicContact CG2-CD1 3.61Å; L664-L712 HydrophobicContact CB-CD1 4.01Å; L664-L712 HydrophobicContact CD2-CB 3.42Å; L664-L712 VanDerWaalsContact CD2-CB 3.42Å; L664-L712 HydrophobicContact CD2-CD1 4.13Å; L664-L712 HydrophobicContact CD2-CG 4.44Å; L707-L712 HydrophobicContact CB-CD2 4.35Å; L707-L712 HydrophobicContact CB-CG 4.21Å; L707-L712 HydrophobicContact CD1-CD2 3.66Å; L707-L712 HydrophobicContact CD1-CG 4.41Å; S708-L712 PolarHBondContact O-N 3.33Å; S708-L712 VanDerWaalsContact O-N 3.08Å; E709-L712 PolarHBondContact O-N 3.37Å; L712-S714 VanDerWaalsContact C-N 3.27Å; L712-S714 PolarHBondContact O-N 2.93Å; L712-L715 CarbonylContact O-C 3.51Å; L712-L715 WeakPolarHBondContact O-CA 3.46Å; L712-L715 WeakPolarHBondContact O-CB 3.49Å; L712-L715 PolarHBondContact O-N 3.34Å; L712-G717 WeakPolarHBondContact O-CA 3.41Å; L712-G717 PolarHBondContact O-N 3.28Å; L712-L718 HydrophobicContact CD1-CD1 3.86Å; L712-L718 HydrophobicContact CD1-CG 4.34Å; L712-L718 HydrophobicContact CD2-CD1 4.19Å; L712-L718 HydrophobicContact CD2-CD2 4.02Å; L712-L718 HydrophobicContact CD2-CG 4.16Å; L712-F723 HydrophobicContact CD2-CD2 4.38Å; L712-F723 HydrophobicContact CD2-CE2 4.32Å; L712-L728 HydrophobicContact CD1-CD1 4.34Å; L712-L728 HydrophobicContact CD2-CD1 4.48Å; L712-L728 HydrophobicContact CD2-CD2 4.39Å
713	W	96.3	Very high	95.9	Very high	92 Å²	92	36.3 Å²	36.3	35%	0.348	19%	0.19	S	C	.	.	H	α-helix	trans	-63.6	-32.3	172.4	-80.3	124.1	0	0	0	112.6	H344 L664 E709 L715 N716	H344-W713 HydrophobicContact CB-CZ3 4.35Å; H344-W713 AromaticContact CD2-CZ3 3.97Å; H344-W713 AromaticContact CG-CZ3 3.95Å; L664-W713 HydrophobicContact CD1-CZ2 3.7Å; L664-W713 HydrophobicContact CD2-CD2 4.09Å; L664-W713 HydrophobicContact CD2-CG 4.33Å; L664-W713 HydrophobicContact CD2-CZ2 4.32Å; L664-W713 HydrophobicContact CG-CZ2 4.21Å; E709-W713 VanDerWaalsContact CG-CD1 3.43Å; E709-W713 PolarHBondContact O-N 3.25Å; E709-W713 PolarHBondContact OE1-NE1 3.41Å; E709-W713 VanDerWaalsContact OE1-NE1 3.13Å; W713-L715 PolarHBondContact O-N 3.19Å; W713-N716 PolarHBondContact O-N 2.9Å
714	S	94.5	Very high	95.9	Very high	85 Å²	85	35.8 Å²	35.8	59%	0.594	19%	0.187	S	C	*	.	H	α-helix	trans	-66	-18.8	171.6	84.9	0	0	0	0	113.8	D710 L711 L712 N716	D710-S714 PolarHBondContact O-N 3.48Å; L711-S714 WeakPolarHBondContact O-CB 3.21Å; L711-S714 PolarHBondContact O-N 3.01Å; L711-S714 PolarHBondContact O-OG 3.39Å; L712-S714 VanDerWaalsContact C-N 3.27Å; L712-S714 PolarHBondContact O-N 2.93Å; S714-N716 VanDerWaalsContact C-N 3.33Å
715	L	93.7	Very high	96	Very high	28 Å²	28	35.8 Å²	35.8	15%	0.147	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	15.9	171.2	-58.7	178.2	0	0	0	113.1	W296 L711 L712 W713 N720 I722 F723	W296-L715 HydrophobicContact CD2-CD1 4.32Å; W296-L715 HydrophobicContact CD2-CD2 4.49Å; W296-L715 HydrophobicContact CE3-CD1 4.23Å; W296-L715 HydrophobicContact CE3-CD2 4.28Å; W296-L715 HydrophobicContact CH2-CD2 3.57Å; W296-L715 HydrophobicContact CZ2-CD2 3.78Å; W296-L715 HydrophobicContact CZ3-CD2 3.83Å; L711-L715 PolarHBondContact O-N 3.31Å; L712-L715 CarbonylContact O-C 3.51Å; L712-L715 WeakPolarHBondContact O-CA 3.46Å; L712-L715 WeakPolarHBondContact O-CB 3.49Å; L712-L715 PolarHBondContact O-N 3.34Å; W713-L715 PolarHBondContact O-N 3.19Å; L715-N720 PolarHBondContact O-ND2 3.15Å; L715-I722 HydrophobicContact CD1-CD1 4.06Å; L715-I722 HydrophobicContact CD2-CD1 3.95Å; L715-F723 HydrophobicContact CD1-CD2 4.43Å; L715-F723 HydrophobicContact CD1-CE2 3.93Å
716	N	94.2	Very high	96.1	Very high	90 Å²	90	35.6 Å²	35.6	48%	0.481	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	37.6	-174.3	-164.9	88.6	0	0	0	113.2	H344 W713 S714	H344-N716 PolarHBondContact CD2-O 3.41Å; H344-N716 PolarHBondContact O-ND2 3.2Å; W713-N716 PolarHBondContact O-N 2.9Å; S714-N716 VanDerWaalsContact C-N 3.33Å
717	G	96.6	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	74.6	-161.7	175.8	0	0	0	0	0	113.4	L712 N720	L712-G717 WeakPolarHBondContact O-CA 3.41Å; L712-G717 PolarHBondContact O-N 3.28Å; G717-N720 PolarHBondContact O-ND2 3.39Å
718	L	98.3	Very high	96.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-128.7	153.7	172.3	-60.3	177.5	0	0	0	110.5	H344 C345 L664 L712 F723 D726 L728	H344-L718 PolarHBondContact NE2-O 2.99Å; C345-L718 PolarHBondContact SG-O 3.08Å; L664-L718 HydrophobicContact CB-CB 4.48Å; L664-L718 HydrophobicContact CB-CD1 4.09Å; L664-L718 HydrophobicContact CB-CG 4.27Å; L712-L718 HydrophobicContact CD1-CD1 3.86Å; L712-L718 HydrophobicContact CD1-CG 4.34Å; L712-L718 HydrophobicContact CD2-CD1 4.19Å; L712-L718 HydrophobicContact CD2-CD2 4.02Å; L712-L718 HydrophobicContact CD2-CG 4.16Å; L718-F723 HydrophobicContact CD2-CB 3.43Å; L718-F723 VanDerWaalsContact CD2-CB 3.43Å; L718-F723 HydrophobicContact CD2-CD2 3.76Å; L718-F723 HydrophobicContact CD2-CG 3.96Å; L718-D726 HydrophobicContact CB-CB 4.5Å; L718-D726 WeakPolarHBondContact CD1-O 3.42Å; L718-L728 HydrophobicContact CD1-CD2 3.99Å; L718-L728 HydrophobicContact CD1-CG 4.24Å; L718-L728 HydrophobicContact CD2-CD2 4.47Å
719	P	98.3	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	S	Bend	cis	-63.3	157.1	-15.1	-17.5	30.5	0	0	0	112.6	L330 C345 L350 F723	L330-P719 HydrophobicContact CD2-CG 3.78Å; C345-P719 PolarHBondContact SG-O 3.26Å; L350-P719 HydrophobicContact CD2-CG 4.07Å; P719-F723 WeakPolarHBondContact CA-O 3.24Å
720	N	97.2	Very high	96.7	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.032	16%	0.164	C	C	.	.			trans	-146.1	-172.3	177.8	70.2	39.7	0	0	0	112.3	L715 G717 I722 F723	L715-N720 PolarHBondContact O-ND2 3.15Å; G717-N720 PolarHBondContact O-ND2 3.39Å; N720-I722 PolarHBondContact O-N 2.76Å; N720-I722 WeakPolarHBondContact OD1-CA 3.47Å; N720-I722 WeakPolarHBondContact OD1-CB 3.41Å; N720-I722 PolarHBondContact OD1-N 2.82Å; N720-F723 PolarHBondContact N-O 3Å; N720-F723 PolarHBondContact OD1-N 3.42Å
721	H	96.5	Very high	96.9	Very high	94 Å²	94	26.2 Å²	26.2	44%	0.435	14%	0.135	S	C	.	.	S	Bend	trans	-67.6	-13.8	-177.3	-58.2	-82.6	0	0	0	114.8	E348 V349 Y354 L358	E348-H721 IonicContact OE1-CE1 2.88Å; E348-H721 PolarHBondContact OE1-CE1 2.93Å; V349-H721 VanDerWaalsContact CG1-CE1 3.49Å; V349-H721 WeakPolarHBondContact CG1-CE1 3.48Å; V349-H721 WeakPolarHBondContact CG1-ND1 3.39Å; Y354-H721 AromaticContact CZ-ND1 3.92Å; Y354-H721 PolarHBondContact OH-ND1 3.37Å; Y354-H721 VanDerWaalsContact OH-ND1 3.1Å; L358-H721 WeakPolarHBondContact CD1-O 3.46Å
722	I	95.1	Very high	97.2	Very high	63 Å²	63	23.3 Å²	23.3	32%	0.323	12%	0.12	S	C	.	.	S	Bend	trans	-102.2	-45.7	179.5	-56.9	153.5	0	0	0	109.9	W296 L715 N720	W296-I722 HydrophobicContact CZ2-CD1 4.22Å; L715-I722 HydrophobicContact CD1-CD1 4.06Å; L715-I722 HydrophobicContact CD2-CD1 3.95Å; N720-I722 PolarHBondContact O-N 2.76Å; N720-I722 WeakPolarHBondContact OD1-CA 3.47Å; N720-I722 WeakPolarHBondContact OD1-CB 3.41Å; N720-I722 PolarHBondContact OD1-N 2.82Å
723	F	97.5	Very high	97.3	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.039	13%	0.133	C	C	.	.			trans	-116.4	112.5	-171.8	-62.6	-60.6	0	0	0	110.7	W296 R297 L707 L712 L715 L718 P719 N720 S725 L728	W296-F723 HydrophobicContact CB-CZ 4.08Å; R297-F723 HydrophobicContact CG-CZ 4.27Å; L707-F723 HydrophobicContact CD1-CE2 3.87Å; L707-F723 HydrophobicContact CD1-CZ 3.88Å; L712-F723 HydrophobicContact CD2-CD2 4.38Å; L712-F723 HydrophobicContact CD2-CE2 4.32Å; L715-F723 HydrophobicContact CD1-CD2 4.43Å; L715-F723 HydrophobicContact CD1-CE2 3.93Å; L718-F723 HydrophobicContact CD2-CB 3.43Å; L718-F723 VanDerWaalsContact CD2-CB 3.43Å; L718-F723 HydrophobicContact CD2-CD2 3.76Å; L718-F723 HydrophobicContact CD2-CG 3.96Å; P719-F723 WeakPolarHBondContact CA-O 3.24Å; N720-F723 PolarHBondContact N-O 3Å; N720-F723 PolarHBondContact OD1-N 3.42Å; F723-S725 PolarHBondContact O-N 2.99Å; F723-L728 HydrophobicContact CB-CD2 4.36Å; F723-L728 HydrophobicContact CD1-CD2 3.76Å; F723-L728 HydrophobicContact CD2-CD2 4.09Å; F723-L728 HydrophobicContact CE1-CD2 4.01Å; F723-L728 HydrophobicContact CE2-CD2 4.31Å; F723-L728 HydrophobicContact CG-CD2 3.81Å; F723-L728 HydrophobicContact CZ-CD2 4.28Å
724	P	97.7	Very high	97.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.116	C	C	.	.	S	Bend	trans	-90.9	13	-167.8	36.5	-39.7	0	0	0	116.1	R355 L358 L359	R355-P724 HydrophobicContact CB-CB 4.01Å; R355-P724 VanDerWaalsContact CD-O 3.29Å; R355-P724 WeakPolarHBondContact CD-O 3.46Å; R355-P724 HydrophobicContact CG-CB 4.38Å; R355-P724 PolarHBondContact NH1-O 3.39Å; R355-P724 WeakPolarHBondContact O-CB 3.36Å; L358-P724 HydrophobicContact CB-CB 3.64Å; L358-P724 HydrophobicContact CB-CG 3.74Å; L358-P724 HydrophobicContact CD1-CB 4.2Å; L359-P724 HydrophobicContact CB-CG 4.39Å; L359-P724 HydrophobicContact CD2-CB 4.43Å; L359-P724 HydrophobicContact CD2-CG 3.62Å; L359-P724 HydrophobicContact CG-CB 4.07Å; L359-P724 HydrophobicContact CG-CG 3.62Å
725	S	98.6	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-132.9	160.8	173.2	-177.9	0	0	0	0	107.7	Y327 N328 F723 H727	Y327-S725 WeakPolarHBondContact OH-CB 3.47Å; N328-S725 WeakPolarHBondContact O-CB 3.49Å; N328-S725 PolarHBondContact O-OG 3.11Å; F723-S725 PolarHBondContact O-N 2.99Å; S725-H727 WeakPolarHBondContact CB-O 3.47Å; S725-H727 PolarHBondContact O-N 3.48Å; S725-H727 PolarHBondContact OG-N 3.48Å
726	D	98.4	Very high	97.3	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.043	9%	0.093	C	C	.	.	S	Bend	trans	-71.3	-13.5	165.2	51.6	-9.8	0	0	0	112.2	L330 Y342 T663 L664 L718	L330-D726 WeakPolarHBondContact CB-OD1 3.41Å; L330-D726 HydrophobicContact CD2-CB 4.42Å; Y342-D726 HydrophobicContact CE1-CB 3.81Å; Y342-D726 WeakPolarHBondContact CE1-OD2 3.49Å; Y342-D726 VanDerWaalsContact CZ-OD2 3.3Å; Y342-D726 PolarHBondContact OH-OD2 3.18Å; T663-D726 CarbonylContact C-O 3.59Å; T663-D726 VanDerWaalsContact CA-O 3.28Å; T663-D726 WeakPolarHBondContact CA-O 3.49Å; T663-D726 PolarHBondContact OG1-O 3.03Å; L664-D726 PolarHBondContact N-O 3.33Å; L718-D726 HydrophobicContact CB-CB 4.5Å; L718-D726 WeakPolarHBondContact CD1-O 3.42Å
727	H	98.8	Very high	97	Very high	11 Å²	11	18.3 Å²	18.3	5%	0.051	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-97.3	161.5	168.4	-66.8	-126.8	0	0	0	112.9	Y327 N328 D513 T662 T663 D673 S725	Y327-H727 HydrophobicContact CE2-CB 4.37Å; Y327-H727 VanDerWaalsContact CE2-O 3.28Å; Y327-H727 WeakPolarHBondContact CE2-O 3.37Å; Y327-H727 PolarHBondContact OH-O 3.38Å; N328-H727 HydrophobicContact CB-CB 4.02Å; D513-H727 IonicContact OD2-CE1 2.74Å; D513-H727 PolarHBondContact OD2-CE1 3.41Å; D513-H727 VanDerWaalsContact OD2-CE1 3.3Å; T662-H727 CarbonylContact O-C 3.48Å; T662-H727 WeakPolarHBondContact O-CA 3.21Å; T663-H727 PolarHBondContact OG1-CD2 3.22Å; T663-H727 PolarHBondContact OG1-NE2 2.79Å; T663-H727 VanDerWaalsContact OG1-NE2 3.11Å; D673-H727 VanDerWaalsContact CG-ND1 3.29Å; D673-H727 IonicContact OD1-CE1 3.54Å; D673-H727 IonicContact OD1-ND1 3.27Å; D673-H727 PolarHBondContact OD1-ND1 2.89Å; D673-H727 VanDerWaalsContact OD1-ND1 3.08Å; D673-H727 IonicContact OD2-CE1 2.97Å; D673-H727 IonicContact OD2-CG 3.97Å; D673-H727 IonicContact OD2-ND1 3.82Å; D673-H727 PolarHBondContact OD2-ND1 3.12Å; S725-H727 WeakPolarHBondContact CB-O 3.47Å; S725-H727 PolarHBondContact O-N 3.48Å; S725-H727 PolarHBondContact OG-N 3.48Å
728	L	98.6	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-103.7	142.9	170.3	-63	-178.9	0	0	0	110.7	T662 L706 L707 L712 L718 F723 L730	T662-L728 PolarHBondContact O-N 3.27Å; L706-L728 HydrophobicContact CD2-CB 4.39Å; L706-L728 HydrophobicContact CD2-CD1 4.38Å; L707-L728 HydrophobicContact CB-CD1 4.21Å; L707-L728 HydrophobicContact CD1-CD1 4.14Å; L707-L728 HydrophobicContact CG-CD1 4.13Å; L712-L728 HydrophobicContact CD1-CD1 4.34Å; L712-L728 HydrophobicContact CD2-CD1 4.48Å; L712-L728 HydrophobicContact CD2-CD2 4.39Å; L718-L728 HydrophobicContact CD1-CD2 3.99Å; L718-L728 HydrophobicContact CD1-CG 4.24Å; L718-L728 HydrophobicContact CD2-CD2 4.47Å; F723-L728 HydrophobicContact CB-CD2 4.36Å; F723-L728 HydrophobicContact CD1-CD2 3.76Å; F723-L728 HydrophobicContact CD2-CD2 4.09Å; F723-L728 HydrophobicContact CE1-CD2 4.01Å; F723-L728 HydrophobicContact CE2-CD2 4.31Å; F723-L728 HydrophobicContact CG-CD2 3.81Å; F723-L728 HydrophobicContact CZ-CD2 4.28Å; L728-L730 WeakPolarHBondContact O-CD1 3.41Å; L728-L730 PolarHBondContact O-N 3.42Å
729	S	98.4	Very high	95.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-66.9	122.3	175.4	67.4	0	0	0	0	111.7	R297 E362	R297-S729 PolarHBondContact NH1-O 2.83Å; R297-S729 PolarHBondContact NH1-OG 2.89Å; R297-S729 PolarHBondContact NH2-O 2.99Å; E362-S729 WeakPolarHBondContact OE1-CB 3.29Å; E362-S729 PolarHBondContact OE1-OG 3.38Å
730	L	98.8	Very high	93	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.9	168.8	-82.6	64.4	0	0	0	107.7	M325 S326 Y649 T662 D673 I675 L706 L728	M325-L730 CarbonylContact C-O 3.54Å; M325-L730 WeakPolarHBondContact CA-O 3.27Å; S326-L730 PolarHBondContact N-O 2.83Å; S326-L730 PolarHBondContact O-N 3.43Å; Y649-L730 HydrophobicContact CD2-CD2 3.83Å; Y649-L730 HydrophobicContact CD2-CG 4.13Å; Y649-L730 HydrophobicContact CE2-CB 3.85Å; Y649-L730 HydrophobicContact CE2-CD2 3.76Å; Y649-L730 HydrophobicContact CE2-CG 3.64Å; T662-L730 HydrophobicContact CG2-CD1 3.78Å; D673-L730 HydrophobicContact CB-CD1 3.73Å; D673-L730 HydrophobicContact CB-CD2 4.1Å; D673-L730 WeakPolarHBondContact O-CD2 3.24Å; I675-L730 HydrophobicContact CD1-CB 3.85Å; I675-L730 HydrophobicContact CG1-CB 4Å; I675-L730 HydrophobicContact CG1-CD2 4.29Å; L706-L730 HydrophobicContact CD2-CD1 4.25Å; L728-L730 WeakPolarHBondContact O-CD1 3.41Å; L728-L730 PolarHBondContact O-N 3.42Å
731	V	98.6	Very high	90.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.5	176.5	-167.9	0	0	0	0	110.7	W299 V324 M325 W366 Y649 S703 L704	W299-V731 HydrophobicContact CH2-CG1 4.4Å; W299-V731 HydrophobicContact CZ3-CB 4.39Å; W299-V731 HydrophobicContact CZ3-CG1 3.99Å; V324-V731 CarbonylContact O-C 3.52Å; V324-V731 WeakPolarHBondContact O-CA 3.21Å; M325-V731 HydrophobicContact CB-CG2 4.28Å; M325-V731 HydrophobicContact CE-CG2 3.61Å; M325-V731 HydrophobicContact CG-CG2 4.1Å; W366-V731 HydrophobicContact CG-CG2 4.37Å; Y649-V731 PolarHBondContact OH-N 3.1Å; Y649-V731 VanDerWaalsContact OH-N 3.08Å; Y649-V731 PolarHBondContact OH-O 2.85Å; S703-V731 WeakPolarHBondContact CA-O 3.37Å; S703-V731 WeakPolarHBondContact CB-O 3.35Å; L704-V731 HydrophobicContact CB-CB 3.86Å; L704-V731 HydrophobicContact CB-CG2 4.4Å; L704-V731 HydrophobicContact CD2-CB 4.23Å; L704-V731 HydrophobicContact CD2-CG2 3.87Å; L704-V731 PolarHBondContact N-O 3.29Å
732	A	98.6	Very high	89.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.8	-178.9	0	0	0	0	0	111.1	T323 V324 V648 I675 L700 F734	T323-A732 CarbonylContact C-O 3.56Å; T323-A732 VanDerWaalsContact CA-O 3.23Å; T323-A732 WeakPolarHBondContact CA-O 3.42Å; V324-A732 PolarHBondContact N-O 2.8Å; V324-A732 PolarHBondContact O-N 2.95Å; V648-A732 HydrophobicContact CG1-CB 3.93Å; V648-A732 HydrophobicContact CG2-CB 3.9Å; I675-A732 HydrophobicContact CD1-CB 4.09Å; L700-A732 HydrophobicContact CD1-CB 4.26Å; A732-F734 HydrophobicContact CB-CD2 4.48Å; A732-F734 HydrophobicContact CB-CE2 3.74Å; A732-F734 HydrophobicContact CB-CZ 3.87Å
733	R	98.4	Very high	89.6	Confident	73 Å²	73	33.9 Å²	33.9	28%	0.275	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.3	171.2	-168	-172.1	-53.5	134	7.3	109.5	W299 D301 F322 T323 V701 G702	W299-R733 HydrophobicContact CH2-CB 3.82Å; W299-R733 HydrophobicContact CZ2-CB 3.46Å; W299-R733 VanDerWaalsContact CZ2-CB 3.46Å; D301-R733 IonicContact OD1-NH1 3.15Å; D301-R733 PolarHBondContact OD1-NH1 2.92Å; F322-R733 CarbonylContact O-C 3.57Å; F322-R733 WeakPolarHBondContact O-CA 3.48Å; T323-R733 HydrophobicContact CG2-CB 4.01Å; T323-R733 HydrophobicContact CG2-CG 3.87Å; V701-R733 HydrophobicContact CB-CB 4.38Å; V701-R733 HydrophobicContact CB-CG 4.38Å; V701-R733 WeakPolarHBondContact CB-O 3.43Å; V701-R733 PolarHBondContact N-O 2.93Å; G702-R733 PolarHBondContact N-O 2.8Å; G702-R733 PolarHBondContact O-N 3.02Å
734	F	97.4	Very high	89.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.8	178.4	-60.3	-76.3	0	0	0	110.8	D321 F322 V324 V509 V648 I675 Y677 L698 K699 L700 A732	D321-F734 CarbonylContact C-O 3.48Å; D321-F734 WeakPolarHBondContact CA-O 3.42Å; F322-F734 HydrophobicContact CD1-CB 4.23Å; F322-F734 HydrophobicContact CE1-CB 3.68Å; F322-F734 HydrophobicContact CE2-CB 4.32Å; F322-F734 HydrophobicContact CE2-CD2 4.04Å; F322-F734 HydrophobicContact CZ-CB 3.73Å; F322-F734 HydrophobicContact CZ-CD2 4.08Å; F322-F734 HydrophobicContact CZ-CG 4.24Å; F322-F734 PolarHBondContact N-O 2.79Å; F322-F734 PolarHBondContact O-N 2.79Å; V324-F734 HydrophobicContact CB-CE2 4.15Å; V324-F734 HydrophobicContact CG2-CD2 3.85Å; V324-F734 HydrophobicContact CG2-CE2 3.78Å; V509-F734 HydrophobicContact CG2-CE2 4.19Å; V648-F734 HydrophobicContact CG2-CE1 4.03Å; V648-F734 HydrophobicContact CG2-CZ 3.57Å; I675-F734 HydrophobicContact CG2-CE2 4.26Å; I675-F734 HydrophobicContact CG2-CZ 4.05Å; Y677-F734 AromaticContact CD1-CE1 3.76Å; Y677-F734 HydrophobicContact CD1-CE1 3.76Å; Y677-F734 HydrophobicContact CD1-CZ 4.14Å; Y677-F734 HydrophobicContact CD2-CD1 4.09Å; Y677-F734 AromaticContact CD2-CE1 3.58Å; Y677-F734 HydrophobicContact CD2-CE1 3.58Å; Y677-F734 HydrophobicContact CD2-CZ 4.49Å; Y677-F734 HydrophobicContact CE1-CE1 4.26Å; Y677-F734 HydrophobicContact CE2-CD1 4.47Å; Y677-F734 HydrophobicContact CE2-CE1 4.06Å; Y677-F734 HydrophobicContact CG-CD1 4.32Å; Y677-F734 AromaticContact CG-CE1 3.4Å; Y677-F734 HydrophobicContact CG-CE1 3.4Å; Y677-F734 VanDerWaalsContact CG-CE1 3.4Å; Y677-F734 AromaticContact CG-CZ 3.91Å; Y677-F734 HydrophobicContact CG-CZ 3.91Å; L698-F734 HydrophobicContact CB-CD1 4.23Å; L698-F734 HydrophobicContact CD1-CG 4.48Å; K699-F734 CarbonylContact O-C 3.58Å; K699-F734 VanDerWaalsContact O-CA 3.28Å; K699-F734 WeakPolarHBondContact O-CA 3.34Å; L700-F734 HydrophobicContact CB-CD1 4.32Å; L700-F734 HydrophobicContact CB-CE1 4.3Å; L700-F734 HydrophobicContact CD1-CD1 4.02Å; L700-F734 HydrophobicContact CD1-CE1 3.68Å; L700-F734 HydrophobicContact CD1-CZ 4.27Å; A732-F734 HydrophobicContact CB-CD2 4.48Å; A732-F734 HydrophobicContact CB-CE2 3.74Å; A732-F734 HydrophobicContact CB-CZ 3.87Å
735	Q	94.8	Very high	88.7	Confident	52 Å²	52	37.4 Å²	37.4	24%	0.243	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.8	168.9	172.7	166.7	93.1	0	0	108.8	D321 K699 V701	D321-Q735 WeakPolarHBondContact OD1-CB 3.37Å; D321-Q735 VanDerWaalsContact OD1-CG 3.23Å; D321-Q735 WeakPolarHBondContact OD1-CG 3.48Å; D321-Q735 PolarHBondContact OD1-NE2 3.1Å; K699-Q735 HydrophobicContact CB-CB 4.25Å; K699-Q735 PolarHBondContact N-O 3.01Å; K699-Q735 PolarHBondContact O-N 3.12Å; V701-Q735 HydrophobicContact CG2-CB 3.63Å
736	L	91.8	Very high	88.1	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.2	174.3	174.9	60.2	0	0	0	109.1	S319 L320 F322 P449 P462 N507 L698	S319-L736 CarbonylContact C-O 3.58Å; S319-L736 WeakPolarHBondContact CA-O 3.42Å; S319-L736 VanDerWaalsContact CB-O 3.32Å; S319-L736 WeakPolarHBondContact CB-O 3.46Å; L320-L736 PolarHBondContact N-O 2.85Å; L320-L736 PolarHBondContact O-N 2.79Å; F322-L736 HydrophobicContact CD1-CB 4.42Å; F322-L736 HydrophobicContact CE1-CB 4.09Å; P449-L736 HydrophobicContact CB-CD2 4.11Å; P449-L736 HydrophobicContact CG-CD2 3.46Å; P449-L736 VanDerWaalsContact CG-CD2 3.46Å; P462-L736 HydrophobicContact CG-CD1 4.1Å; N507-L736 VanDerWaalsContact ND2-CD1 3.29Å; N507-L736 WeakPolarHBondContact ND2-CD1 3.28Å; L698-L736 HydrophobicContact CD2-CB 4.08Å; L698-L736 HydrophobicContact CD2-CD1 3.91Å
737	E	88.5	Confident	87.4	Confident	61 Å²	61	41.8 Å²	41.8	29%	0.285	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.4	166.1	-75.5	-177.5	152.9	0	0	109.9	P462 K680	P462-E737 WeakPolarHBondContact CD-O 3.38Å; K680-E737 WeakPolarHBondContact CE-OE2 3.31Å; K680-E737 IonicContact NZ-OE1 3.3Å; K680-E737 PolarHBondContact NZ-OE1 2.96Å; K680-E737 IonicContact NZ-OE2 3.97Å; K680-E737 PolarHBondContact NZ-OE2 3.47Å
738	L	84.4	Confident	86.5	Confident	16 Å²	16	44 Å²	44	8%	0.084	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-91.8	141	171.4	-53.8	175.5	0	0	0	108	A318 L320 V451 A460	A318-L738 HydrophobicContact CB-CB 4.17Å; A318-L738 HydrophobicContact CB-CD1 4.14Å; A318-L738 PolarHBondContact O-N 2.82Å; L320-L738 HydrophobicContact CB-CD1 4.42Å; L320-L738 HydrophobicContact CB-CD2 4.07Å; L320-L738 HydrophobicContact CB-CG 4.4Å; V451-L738 HydrophobicContact CG2-CD1 3.73Å; A460-L738 HydrophobicContact CB-CD1 4.23Å; A460-L738 HydrophobicContact CB-CD2 4.14Å; A460-L738 WeakPolarHBondContact O-CD2 3.45Å
739	D	72	Confident	85.6	Confident	102 Å²	102	47.4 Å²	47.4	55%	0.545	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-67.2	141.6	169.4	-63.5	-71.6	0	0	0	109.1	P462 A741	P462-D739 WeakPolarHBondContact CD-OD2 3.47Å; D739-A741 PolarHBondContact O-N 3.35Å
740	D	53.3	Low	84.6	Confident	128 Å²	128	51.3 Å²	51.3	68%	0.684	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-62	129.4	177.9	-65.2	-45.3	0	0	0	110.2
741	A	38.1	Very low	83.3	Confident	178 Å²	178	55.9 Å²	55.9	100%	1.471	33%	0.329	S	S	*	.			trans	-90.8	0	-172.1	0	0	0	0	0	114.5	D739	D739-A741 PolarHBondContact O-N 3.35Å

Retrieved 741 of 741 residues in 654 ms (Link to these results)

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