A0A5K4F3D9_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A5K4F3D9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 587 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	67.4	Low	74.3	Confident	192 Å²	192	123.5 Å²	123.5	95%	0.946	62%	0.617	S	S	*	*				0	-51.1	0	-105	-169.4	74.8	0	0	113.5	L3 L4 L5	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.44Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-L4 VanDerWaalsContact O-N 3.17Å; M1-L5 PolarHBondContact O-N 3.43Å
2	L	68.3	Low	73.3	Confident	144 Å²	144	124.3 Å²	124.3	75%	0.754	61%	0.614	S	S	*	*	H	α-helix	trans	-56.2	-42.2	-178.2	-127.2	86.8	0	0	0	113.7	L4 L5 V6	L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.36Å; L2-L5 PolarHBondContact O-N 3.47Å; L2-V6 WeakPolarHBondContact O-CG2 3.44Å; L2-V6 PolarHBondContact O-N 2.9Å; L2-V6 VanDerWaalsContact O-N 3.1Å
3	L	71.1	Confident	72.3	Confident	138 Å²	138	119.9 Å²	119.9	72%	0.723	59%	0.594	S	S	*	*	H	α-helix	trans	-62	-35.5	179.8	-152.9	80.7	0	0	0	113	M1 V6 I7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.44Å; L3-V6 PolarHBondContact O-N 3.18Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.27Å; L3-I7 PolarHBondContact O-N 3.12Å
4	L	78.8	Confident	71.7	Confident	121 Å²	121	122.2 Å²	122.2	63%	0.634	60%	0.598	S	S	*	*	H	α-helix	trans	-72.2	-36.4	-179.6	-120.4	145.4	0	0	0	111.7	M1 L2 L8	M1-L4 PolarHBondContact O-N 3.09Å; M1-L4 VanDerWaalsContact O-N 3.17Å; L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.36Å; L4-L8 HydrophobicContact CD2-CD1 4.48Å; L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 WeakPolarHBondContact O-CG 3.38Å; L4-L8 PolarHBondContact O-N 3.43Å
5	L	77.8	Confident	70.5	Confident	103 Å²	103	123.1 Å²	123.1	54%	0.539	60%	0.601	S	S	.	*	H	α-helix	trans	-66.9	-40.3	173.1	-77.6	163.5	0	0	0	111.7	M1 L2 L8 Y9	M1-L5 PolarHBondContact O-N 3.43Å; L2-L5 PolarHBondContact O-N 3.47Å; L5-L8 PolarHBondContact O-N 3.17Å; L5-Y9 VanDerWaalsContact O-CB 3.27Å; L5-Y9 WeakPolarHBondContact O-CB 3.44Å; L5-Y9 PolarHBondContact O-N 3.2Å
6	V	79.5	Confident	69.4	Low	77 Å²	77	126.4 Å²	126.4	47%	0.467	61%	0.605	S	S	.	*	H	α-helix	trans	-65.3	-42.5	176.4	175.2	0	0	0	0	111.1	L2 L3 Y9 L10	L2-V6 WeakPolarHBondContact O-CG2 3.44Å; L2-V6 PolarHBondContact O-N 2.9Å; L2-V6 VanDerWaalsContact O-N 3.1Å; L3-V6 PolarHBondContact O-N 3.18Å; V6-Y9 PolarHBondContact O-N 3.41Å; V6-L10 HydrophobicContact CG1-CD1 3.91Å; V6-L10 HydrophobicContact CG1-CG 4.37Å; V6-L10 WeakPolarHBondContact O-CB 3.49Å; V6-L10 VanDerWaalsContact O-CG 3.27Å; V6-L10 WeakPolarHBondContact O-CG 3.4Å; V6-L10 PolarHBondContact O-N 2.8Å
7	I	80.5	Confident	68.1	Low	86 Å²	86	125.6 Å²	125.6	44%	0.441	60%	0.604	S	S	.	*	H	α-helix	trans	-64.1	-45.3	176.9	-67.6	165.7	0	0	0	111.1	L3 Y9 L10 F11	L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.27Å; L3-I7 PolarHBondContact O-N 3.12Å; I7-Y9 VanDerWaalsContact C-N 3.33Å; I7-Y9 PolarHBondContact O-N 2.91Å; I7-L10 PolarHBondContact O-N 3.04Å; I7-F11 HydrophobicContact CG2-CD2 3.9Å; I7-F11 HydrophobicContact CG2-CE2 4.14Å; I7-F11 WeakPolarHBondContact O-CD2 3.49Å; I7-F11 PolarHBondContact O-N 3.22Å
8	L	78.2	Confident	67.4	Low	97 Å²	97	123.8 Å²	123.8	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-62.4	-39.9	176.3	-78.6	166.4	0	0	0	112	L4 L5 F11 F12	L4-L8 HydrophobicContact CD2-CD1 4.48Å; L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 WeakPolarHBondContact O-CG 3.38Å; L4-L8 PolarHBondContact O-N 3.43Å; L5-L8 PolarHBondContact O-N 3.17Å; L8-F11 PolarHBondContact O-N 2.96Å; L8-F12 WeakPolarHBondContact O-CB 3.48Å; L8-F12 PolarHBondContact O-N 3.49Å
9	Y	74.2	Confident	66.4	Low	158 Å²	158	124.9 Å²	124.9	62%	0.62	61%	0.606	S	S	*	*	H	α-helix	trans	-66.1	-40.8	176.7	-169.6	-106	0	0	0	112	L5 V6 I7 F12 L13	L5-Y9 VanDerWaalsContact O-CB 3.27Å; L5-Y9 WeakPolarHBondContact O-CB 3.44Å; L5-Y9 PolarHBondContact O-N 3.2Å; V6-Y9 PolarHBondContact O-N 3.41Å; I7-Y9 VanDerWaalsContact C-N 3.33Å; I7-Y9 PolarHBondContact O-N 2.91Å; Y9-F12 PolarHBondContact O-N 2.7Å; Y9-L13 HydrophobicContact CD1-CD1 3.58Å; Y9-L13 HydrophobicContact CE1-CD1 3.28Å; Y9-L13 HydrophobicContact CE1-CG 4.24Å; Y9-L13 HydrophobicContact CG-CD1 4.47Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 PolarHBondContact O-N 3.11Å
10	L	72.2	Confident	65.3	Low	103 Å²	103	126.3 Å²	126.3	54%	0.539	61%	0.605	S	S	.	*	H	α-helix	trans	-67.1	-37.6	174.9	-72.3	171	0	0	0	112.3	V6 I7 L13 K14	V6-L10 HydrophobicContact CG1-CD1 3.91Å; V6-L10 HydrophobicContact CG1-CG 4.37Å; V6-L10 WeakPolarHBondContact O-CB 3.49Å; V6-L10 VanDerWaalsContact O-CG 3.27Å; V6-L10 WeakPolarHBondContact O-CG 3.4Å; V6-L10 PolarHBondContact O-N 2.8Å; I7-L10 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 3.3Å; L10-K14 WeakPolarHBondContact O-CB 3.37Å; L10-K14 PolarHBondContact O-N 3.25Å
11	F	69.3	Low	64.4	Low	140 Å²	140	122.9 Å²	122.9	61%	0.614	59%	0.594	S	S	*	*	H	α-helix	trans	-64.6	-43.9	172.2	-98.5	-85	0	0	0	111.9	I7 L8 L13 K14 E15	I7-F11 HydrophobicContact CG2-CD2 3.9Å; I7-F11 HydrophobicContact CG2-CE2 4.14Å; I7-F11 WeakPolarHBondContact O-CD2 3.49Å; I7-F11 PolarHBondContact O-N 3.22Å; L8-F11 PolarHBondContact O-N 2.96Å; F11-L13 VanDerWaalsContact C-N 3.35Å; F11-L13 PolarHBondContact O-N 3.29Å; F11-K14 PolarHBondContact O-N 2.83Å; F11-E15 PolarHBondContact O-N 3.46Å
12	F	62.1	Low	63.3	Low	133 Å²	133	116.4 Å²	116.4	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-62.7	-39.7	175.2	-106.3	-86.5	0	0	0	112.5	L8 Y9 R16	L8-F12 WeakPolarHBondContact O-CB 3.48Å; L8-F12 PolarHBondContact O-N 3.49Å; Y9-F12 PolarHBondContact O-N 2.7Å; F12-R16 WeakPolarHBondContact O-CB 2.93Å; F12-R16 PolarHBondContact O-N 3.25Å
13	L	60.9	Low	62.3	Low	67 Å²	67	111.9 Å²	111.9	35%	0.351	56%	0.555	S	S	.	*	H	α-helix	trans	-65.8	-39.1	174.1	-90.8	162.2	0	0	0	111.7	Y9 L10 F11 R16 L17	Y9-L13 HydrophobicContact CD1-CD1 3.58Å; Y9-L13 HydrophobicContact CE1-CD1 3.28Å; Y9-L13 HydrophobicContact CE1-CG 4.24Å; Y9-L13 HydrophobicContact CG-CD1 4.47Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 PolarHBondContact O-N 3.11Å; L10-L13 PolarHBondContact O-N 3.3Å; F11-L13 VanDerWaalsContact C-N 3.35Å; F11-L13 PolarHBondContact O-N 3.29Å; L13-R16 PolarHBondContact O-N 3.28Å; L13-L17 VanDerWaalsContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.31Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.25Å
14	K	64.1	Low	60.8	Low	152 Å²	152	110.1 Å²	110.1	66%	0.661	54%	0.543	S	S	*	.	H	α-helix	trans	-65.8	-43.2	178.2	-160.7	176	-176.6	-179.9	0	111.7	L10 F11 L17 V18	L10-K14 WeakPolarHBondContact O-CB 3.37Å; L10-K14 PolarHBondContact O-N 3.25Å; F11-K14 PolarHBondContact O-N 2.83Å; K14-L17 PolarHBondContact O-N 3.49Å; K14-V18 VanDerWaalsContact O-CG2 3.3Å; K14-V18 WeakPolarHBondContact O-CG2 3.3Å; K14-V18 PolarHBondContact O-N 3.39Å; K14-V18 VanDerWaalsContact O-N 3.08Å
15	E	53.7	Low	58.8	Low	136 Å²	136	107.5 Å²	107.5	64%	0.636	53%	0.53	S	S	*	.	H	α-helix	trans	-64.2	-43.4	173.7	-75.5	-168.3	165.2	0	0	111.9	F11 L17 V18 E19	F11-E15 PolarHBondContact O-N 3.46Å; E15-L17 PolarHBondContact O-N 3.07Å; E15-V18 PolarHBondContact O-N 3Å; E15-E19 PolarHBondContact O-N 2.8Å
16	R	52.3	Low	57	Low	176 Å²	176	112.1 Å²	112.1	66%	0.664	54%	0.541	S	S	*	.	H	α-helix	trans	-66.2	-36.9	176.4	-80.9	-165.9	178	-158.6	2.1	113.1	F12 L13 V18 E19 Y20	F12-R16 WeakPolarHBondContact O-CB 2.93Å; F12-R16 PolarHBondContact O-N 3.25Å; L13-R16 PolarHBondContact O-N 3.28Å; R16-V18 VanDerWaalsContact C-N 3.33Å; R16-E19 PolarHBondContact O-N 3.36Å; R16-Y20 VanDerWaalsContact O-CB 3.25Å; R16-Y20 WeakPolarHBondContact O-CB 3.32Å; R16-Y20 PolarHBondContact O-N 2.94Å
17	L	48.2	Very low	55.1	Low	113 Å²	113	112.5 Å²	112.5	59%	0.592	55%	0.553	S	S	*	*	H	α-helix	trans	-68.5	-33.6	176.7	-78	165.2	0	0	0	111.6	L13 K14 E15 S21	L13-L17 VanDerWaalsContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.31Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.25Å; K14-L17 PolarHBondContact O-N 3.49Å; E15-L17 PolarHBondContact O-N 3.07Å; L17-S21 VanDerWaalsContact O-CB 3.23Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 3.15Å; L17-S21 PolarHBondContact O-OG 3.2Å
18	V	55.6	Low	52.9	Low	93 Å²	93	114.2 Å²	114.2	56%	0.564	56%	0.563	S	S	*	*	H	α-helix	trans	-68	-41	171.3	175.3	0	0	0	0	110.8	K14 E15 R16 S21 A22	K14-V18 VanDerWaalsContact O-CG2 3.3Å; K14-V18 WeakPolarHBondContact O-CG2 3.3Å; K14-V18 PolarHBondContact O-N 3.39Å; K14-V18 VanDerWaalsContact O-N 3.08Å; E15-V18 PolarHBondContact O-N 3Å; R16-V18 VanDerWaalsContact C-N 3.33Å; V18-S21 PolarHBondContact O-OG 2.92Å; V18-S21 VanDerWaalsContact O-OG 3.13Å; V18-A22 WeakPolarHBondContact O-CB 3.46Å; V18-A22 PolarHBondContact O-N 3.02Å
19	E	47.5	Very low	50.8	Low	144 Å²	144	112.3 Å²	112.3	67%	0.673	57%	0.566	S	S	*	*	H	α-helix	trans	-69.5	-37.8	175	-73.6	-168.6	158.2	0	0	113.1	E15 R16 A22 A23	E15-E19 PolarHBondContact O-N 2.8Å; R16-E19 PolarHBondContact O-N 3.36Å; E19-A22 PolarHBondContact O-N 3.22Å; E19-A23 WeakPolarHBondContact O-CB 3.42Å; E19-A23 PolarHBondContact O-N 3.15Å
20	Y	44.1	Very low	48.8	Very low	153 Å²	153	113 Å²	113	60%	0.6	57%	0.572	S	S	*	*	H	α-helix	trans	-72.6	-41.1	179.9	-140.9	-94.5	0	0	0	111.2	R16 A23 Q24	R16-Y20 VanDerWaalsContact O-CB 3.25Å; R16-Y20 WeakPolarHBondContact O-CB 3.32Å; R16-Y20 PolarHBondContact O-N 2.94Å; Y20-A23 PolarHBondContact O-N 3.34Å; Y20-Q24 HydrophobicContact CD1-CG 4.02Å; Y20-Q24 HydrophobicContact CE1-CG 4.19Å; Y20-Q24 VanDerWaalsContact O-CB 3.3Å; Y20-Q24 WeakPolarHBondContact O-CB 3.31Å; Y20-Q24 WeakPolarHBondContact O-CG 3.29Å; Y20-Q24 PolarHBondContact O-N 3.04Å
21	S	46.4	Very low	46.9	Very low	54 Å²	54	110 Å²	110	38%	0.378	57%	0.566	S	S	.	*	H	α-helix	trans	-66.8	-39	172.2	59.9	0	0	0	0	111.4	L17 V18 N25	L17-S21 VanDerWaalsContact O-CB 3.23Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 3.15Å; L17-S21 PolarHBondContact O-OG 3.2Å; V18-S21 PolarHBondContact O-OG 2.92Å; V18-S21 VanDerWaalsContact O-OG 3.13Å; S21-N25 WeakPolarHBondContact O-CB 3.35Å; S21-N25 PolarHBondContact O-N 3.37Å; S21-N25 PolarHBondContact O-ND2 3.03Å
22	A	45.6	Very low	45.2	Very low	56 Å²	56	109.6 Å²	109.6	46%	0.463	57%	0.571	S	S	.	*	H	α-helix	trans	-64.2	-40.4	173.1	0	0	0	0	0	112.2	V18 E19 Y26	V18-A22 WeakPolarHBondContact O-CB 3.46Å; V18-A22 PolarHBondContact O-N 3.02Å; E19-A22 PolarHBondContact O-N 3.22Å; A22-Y26 WeakPolarHBondContact O-CB 3.3Å; A22-Y26 PolarHBondContact O-N 3.33Å
23	A	46.4	Very low	43.9	Very low	49 Å²	49	110.8 Å²	110.8	41%	0.405	58%	0.582	S	S	.	*	H	α-helix	trans	-71.3	-42.6	178.4	0	0	0	0	0	112.5	E19 Y20 Y26 A27	E19-A23 WeakPolarHBondContact O-CB 3.42Å; E19-A23 PolarHBondContact O-N 3.15Å; Y20-A23 PolarHBondContact O-N 3.34Å; A23-Y26 PolarHBondContact O-N 3.44Å; A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.45Å; A23-A27 PolarHBondContact O-N 3.44Å
24	Q	39.9	Very low	42.5	Very low	101 Å²	101	114.8 Å²	114.8	47%	0.472	60%	0.599	S	S	.	*	H	α-helix	trans	-68	-36.9	174.2	-77	-175.1	-35.3	0	0	111.7	Y20 Y26 A27 N28	Y20-Q24 HydrophobicContact CD1-CG 4.02Å; Y20-Q24 HydrophobicContact CE1-CG 4.19Å; Y20-Q24 VanDerWaalsContact O-CB 3.3Å; Y20-Q24 WeakPolarHBondContact O-CB 3.31Å; Y20-Q24 WeakPolarHBondContact O-CG 3.29Å; Y20-Q24 PolarHBondContact O-N 3.04Å; Q24-Y26 VanDerWaalsContact C-N 3.3Å; Q24-Y26 PolarHBondContact O-N 2.89Å; Q24-A27 PolarHBondContact O-N 3.21Å; Q24-N28 WeakPolarHBondContact O-CB 3.34Å; Q24-N28 PolarHBondContact O-N 3.47Å
25	N	35.8	Very low	41.4	Very low	66 Å²	66	117.3 Å²	117.3	35%	0.353	60%	0.604	S	S	.	*	H	α-helix	trans	-68.5	-30.8	173.6	-75	-27.4	0	0	0	111.6	S21 G29 K30 G31	S21-N25 WeakPolarHBondContact O-CB 3.35Å; S21-N25 PolarHBondContact O-N 3.37Å; S21-N25 PolarHBondContact O-ND2 3.03Å; N25-G29 CarbonylContact O-C 3.4Å; N25-G29 PolarHBondContact O-N 3.04Å; N25-K30 CarbonylContact O-C 3.5Å; N25-K30 PolarHBondContact O-N 2.61Å; N25-G31 PolarHBondContact O-N 2.89Å
26	Y	39.9	Very low	40.5	Very low	201 Å²	201	119.1 Å²	119.1	79%	0.788	61%	0.61	S	S	*	*	H	α-helix	trans	-75.8	-41.1	173.8	-152	-97.9	0	0	0	112.1	A22 A23 Q24 G29	A22-Y26 WeakPolarHBondContact O-CB 3.3Å; A22-Y26 PolarHBondContact O-N 3.33Å; A23-Y26 PolarHBondContact O-N 3.44Å; Q24-Y26 VanDerWaalsContact C-N 3.3Å; Q24-Y26 PolarHBondContact O-N 2.89Å; Y26-G29 PolarHBondContact O-N 3.34Å
27	A	40.2	Very low	40.1	Very low	85 Å²	85	113 Å²	113	70%	0.702	59%	0.59	S	S	*	*	H	α-helix	trans	-70.4	-34.4	177.6	0	0	0	0	0	113	A23 Q24	A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.45Å; A23-A27 PolarHBondContact O-N 3.44Å; Q24-A27 PolarHBondContact O-N 3.21Å
28	N	33.4	Very low	39.8	Very low	122 Å²	122	112.1 Å²	112.1	65%	0.652	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	13.3	177.2	-66.6	-21.5	0	0	0	113.4	Q24 K30	Q24-N28 WeakPolarHBondContact O-CB 3.34Å; Q24-N28 PolarHBondContact O-N 3.47Å; N28-K30 PolarHBondContact O-N 2.9Å
29	G	35.1	Very low	39.5	Very low	56 Å²	56	117.2 Å²	117.2	58%	0.577	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.5	5.1	177	0	0	0	0	0	116.6	N25 Y26	N25-G29 CarbonylContact O-C 3.4Å; N25-G29 PolarHBondContact O-N 3.04Å; Y26-G29 PolarHBondContact O-N 3.34Å
30	K	33	Very low	40.6	Very low	172 Å²	172	111.6 Å²	111.6	75%	0.748	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	7.6	-179	-72.3	-172	177.4	-178.7	0	115.2	N25 N28	N25-K30 CarbonylContact O-C 3.5Å; N25-K30 PolarHBondContact O-N 2.61Å; N28-K30 PolarHBondContact O-N 2.9Å
31	G	31.5	Very low	42.6	Very low	40 Å²	40	105.7 Å²	105.7	41%	0.412	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.8	2.2	-179.1	0	0	0	0	0	115.5	N25 L33	N25-G31 PolarHBondContact O-N 2.89Å; G31-L33 PolarHBondContact O-N 3.47Å
32	N	33.4	Very low	44.8	Very low	133 Å²	133	106 Å²	106	71%	0.711	56%	0.563	S	S	*	*			trans	-68.6	101.7	168	-84.9	-27.6	0	0	0	107.6	E34	N32-E34 PolarHBondContact O-N 3.12Å
33	L	35.8	Very low	47.2	Very low	158 Å²	158	104.2 Å²	104.2	83%	0.827	55%	0.545	S	S	*	.			trans	-47.3	100.3	135.8	-113.9	104.7	0	0	0	104.1	G31 R35	G31-L33 PolarHBondContact O-N 3.47Å; L33-R35 PolarHBondContact O-N 3Å
34	E	31.3	Very low	49.6	Very low	151 Å²	151	104.9 Å²	104.9	71%	0.706	54%	0.544	S	S	*	.			trans	-60.3	78.9	170.4	-73.7	-175.2	166.3	0	0	106.7	N32 K36	N32-E34 PolarHBondContact O-N 3.12Å; E34-K36 PolarHBondContact O-N 3.26Å
35	R	39.7	Very low	52.3	Low	204 Å²	204	100.5 Å²	100.5	77%	0.77	52%	0.524	S	S	*	.			trans	-61	88.6	142.7	-76.9	-175	176.9	170.7	-1.1	102.8	L33 I37	L33-R35 PolarHBondContact O-N 3Å; R35-I37 WeakPolarHBondContact O-CG1 3.39Å; R35-I37 PolarHBondContact O-N 3.47Å
36	K	34.4	Very low	55.2	Low	174 Å²	174	98.9 Å²	98.9	76%	0.757	52%	0.523	S	S	*	.			trans	-44.6	99.1	171.9	-78.8	-178	175.2	178.3	0	105.9	E34 P38	E34-K36 PolarHBondContact O-N 3.26Å; K36-P38 VanDerWaalsContact O-CD 3.24Å; K36-P38 WeakPolarHBondContact O-CD 3.2Å
37	I	45	Very low	57.7	Low	48 Å²	48	97.9 Å²	97.9	25%	0.246	53%	0.526	C	S	.	.			trans	-66.6	118.7	175.5	-64	178.7	0	0	0	102.1	R35 K39 D66 K69	R35-I37 WeakPolarHBondContact O-CG1 3.39Å; R35-I37 PolarHBondContact O-N 3.47Å; I37-K39 PolarHBondContact O-N 3.05Å; I37-D66 HydrophobicContact CD1-CB 4.47Å; I37-K69 HydrophobicContact CG2-CD 3.61Å; I37-K69 HydrophobicContact CG2-CG 4.25Å
38	P	42.6	Very low	60.2	Low	94 Å²	94	100.6 Å²	100.6	61%	0.61	52%	0.521	S	S	*	.			trans	-53.4	121.9	-179.3	-25.5	33.7	0	0	0	108.1	K36 G40 K69	K36-P38 VanDerWaalsContact O-CD 3.24Å; K36-P38 WeakPolarHBondContact O-CD 3.2Å; P38-G40 PolarHBondContact O-N 3.05Å; P38-G40 VanDerWaalsContact O-N 3.11Å; P38-K69 PolarHBondContact O-NZ 3.23Å
39	K	48.8	Very low	63.3	Low	201 Å²	201	94.8 Å²	94.8	87%	0.874	49%	0.49	S	S	*	.	S	Bend	trans	-60.5	115.4	172.3	-75.2	-172.5	176.2	-174	0	106.4	I37	I37-K39 PolarHBondContact O-N 3.05Å
40	G	70.6	Confident	66.2	Low	25 Å²	25	94.8 Å²	94.8	26%	0.258	47%	0.473	S	S	.	.	S	Bend	trans	167.2	130.1	-176.6	0	0	0	0	0	110.5	P38 E42 K69	P38-G40 PolarHBondContact O-N 3.05Å; P38-G40 VanDerWaalsContact O-N 3.11Å; G40-E42 PolarHBondContact O-N 2.99Å; G40-K69 PolarHBondContact O-NZ 3.4Å
41	S	86	Confident	69.3	Low	30 Å²	30	86.6 Å²	86.6	21%	0.21	44%	0.437	C	S	.	.	S	Bend	trans	-56.4	-21.5	170.5	21.6	0	0	0	0	113.1	L55 E60	S41-L55 WeakPolarHBondContact CB-O 3.42Å; S41-L55 WeakPolarHBondContact O-CB 3.36Å; S41-L55 WeakPolarHBondContact O-CG 3.27Å; S41-L55 PolarHBondContact O-N 2.72Å; S41-E60 WeakPolarHBondContact CA-OE1 3.36Å; S41-E60 WeakPolarHBondContact CB-OE1 3.26Å; S41-E60 PolarHBondContact N-OE1 2.99Å; S41-E60 VanDerWaalsContact N-OE1 3.13Å; S41-E60 PolarHBondContact OG-OE1 2.63Å
42	E	93.4	Very high	72.5	Confident	60 Å²	60	88 Å²	88	28%	0.28	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.5	-175.5	-68.4	-175.5	-160.5	0	0	114.2	G40 V53 V54 K132 Y133	G40-E42 PolarHBondContact O-N 2.99Å; E42-V53 VanDerWaalsContact CA-O 3.28Å; E42-V53 WeakPolarHBondContact CA-O 3.41Å; E42-V54 HydrophobicContact CG-CB 4.26Å; E42-V54 HydrophobicContact CG-CG1 4.02Å; E42-V54 HydrophobicContact CG-CG2 4.07Å; E42-K132 WeakPolarHBondContact OE1-CE 3.37Å; E42-K132 IonicContact OE1-NZ 2.94Å; E42-K132 PolarHBondContact OE1-NZ 2.89Å; E42-K132 IonicContact OE2-NZ 3.34Å; E42-K132 PolarHBondContact OE2-NZ 3.46Å; E42-Y133 PolarHBondContact OE2-OH 2.94Å
43	F	94.9	Very high	75.5	Confident	19 Å²	19	81.7 Å²	81.7	8%	0.083	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	161.3	176.9	55.5	-84.6	0	0	0	111.3	V45 V53 L55 K69 V72 K73	F43-V45 HydrophobicContact CD2-CG2 3.74Å; F43-V45 HydrophobicContact CE2-CG2 3.73Å; F43-V53 HydrophobicContact CD1-CB 4.33Å; F43-V53 HydrophobicContact CD2-CB 4.11Å; F43-V53 HydrophobicContact CD2-CG2 4.16Å; F43-V53 HydrophobicContact CE1-CB 3.98Å; F43-V53 HydrophobicContact CE1-CG1 3.88Å; F43-V53 HydrophobicContact CE2-CB 3.73Å; F43-V53 HydrophobicContact CE2-CG1 4.15Å; F43-V53 HydrophobicContact CE2-CG2 3.63Å; F43-V53 HydrophobicContact CG-CB 4.41Å; F43-V53 HydrophobicContact CZ-CB 3.67Å; F43-V53 HydrophobicContact CZ-CG1 3.6Å; F43-V53 HydrophobicContact CZ-CG2 3.98Å; F43-V53 PolarHBondContact N-O 2.79Å; F43-V53 VanDerWaalsContact N-O 3.14Å; F43-V53 PolarHBondContact O-N 2.86Å; F43-L55 HydrophobicContact CE1-CD1 3.84Å; F43-L55 HydrophobicContact CE1-CD2 4.45Å; F43-L55 HydrophobicContact CE1-CG 3.97Å; F43-K69 HydrophobicContact CD1-CD 4.21Å; F43-K69 HydrophobicContact CD1-CG 4.38Å; F43-K69 HydrophobicContact CE1-CD 3.97Å; F43-K69 HydrophobicContact CE1-CG 3.76Å; F43-K69 HydrophobicContact CZ-CG 3.96Å; F43-V72 HydrophobicContact CZ-CG1 4.15Å; F43-K73 HydrophobicContact CD2-CD 4.42Å; F43-K73 HydrophobicContact CD2-CG 3.99Å; F43-K73 HydrophobicContact CE2-CD 4.23Å; F43-K73 HydrophobicContact CE2-CG 3.45Å; F43-K73 VanDerWaalsContact CE2-CG 3.45Å; F43-K73 HydrophobicContact CZ-CG 4.13Å
44	T	96	Very high	78.4	Confident	62 Å²	62	74.4 Å²	74.4	38%	0.38	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.2	174.8	-55.7	0	0	0	0	110.4	R50 V51 R52	T44-R50 HydrophobicContact CG2-CB 4.22Å; T44-V51 CarbonylContact C-O 3.56Å; T44-V51 VanDerWaalsContact CA-O 3.29Å; T44-V51 WeakPolarHBondContact CA-O 3.36Å; T44-R52 PolarHBondContact OG1-NE 2.9Å; T44-R52 VanDerWaalsContact OG1-NE 3.17Å; T44-R52 PolarHBondContact OG1-NH2 3.5Å; T44-R52 VanDerWaalsContact OG1-NH2 3.11Å
45	V	97.3	Very high	81.4	Confident	10 Å²	10	67.4 Å²	67.4	6%	0.061	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.9	172.5	-174.2	0	0	0	0	109.7	F43 V51 K73 L76 R77	F43-V45 HydrophobicContact CD2-CG2 3.74Å; F43-V45 HydrophobicContact CE2-CG2 3.73Å; V45-V51 PolarHBondContact N-O 2.91Å; V45-V51 PolarHBondContact O-N 3.13Å; V45-K73 HydrophobicContact CG2-CG 3.98Å; V45-L76 HydrophobicContact CB-CB 3.97Å; V45-L76 HydrophobicContact CB-CD1 4.19Å; V45-L76 HydrophobicContact CG1-CB 3.69Å; V45-L76 HydrophobicContact CG2-CB 4.31Å; V45-L76 HydrophobicContact CG2-CD1 4.02Å; V45-R77 HydrophobicContact CG1-CG 3.79Å
46	G	96.3	Very high	83.9	Confident	32 Å²	32	58.4 Å²	58.4	33%	0.33	29%	0.294	S	S	.	.			trans	94	157.9	177.4	0	0	0	0	0	113.9	F49	G46-F49 WeakPolarHBondContact CA-O 3.35Å
47	E	92.9	Very high	86.3	Confident	180 Å²	180	58.3 Å²	58.3	84%	0.841	29%	0.293	S	S	*	.	S	Bend	trans	-108.5	-58.3	-177.4	-68.5	176.1	-174.1	0	0	111.4	R50	E47-R50 WeakPolarHBondContact O-CG 3.32Å
48	K	93.1	Very high	88	Confident	141 Å²	141	59.7 Å²	59.7	61%	0.613	30%	0.301	S	S	*	.	S	Bend	trans	-82.3	-41.8	176.3	-60.3	-170.8	-176.2	-178.2	0	112	H88	K48-H88 PolarHBondContact O-CE1 3.34Å; K48-H88 VanDerWaalsContact O-CE1 3.26Å
49	F	97.3	Very high	90	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-103.8	99.9	169.5	-172.9	-171.4	0	0	0	109.3	G46 V51 T80 I83 Q84 P85 D157 F158 F222 Y358	G46-F49 WeakPolarHBondContact CA-O 3.35Å; F49-V51 HydrophobicContact CD2-CG2 4.13Å; F49-V51 HydrophobicContact CE1-CG2 4.46Å; F49-V51 HydrophobicContact CE2-CG2 3.98Å; F49-V51 HydrophobicContact CG-CG2 4.45Å; F49-V51 HydrophobicContact CZ-CG2 4.15Å; F49-T80 HydrophobicContact CB-CG2 4.22Å; F49-T80 HydrophobicContact CD1-CG2 4.29Å; F49-T80 HydrophobicContact CG-CG2 4.31Å; F49-T80 WeakPolarHBondContact O-CG2 3.21Å; F49-I83 HydrophobicContact CD1-CG1 3.97Å; F49-I83 WeakPolarHBondContact CD1-O 3.33Å; F49-I83 HydrophobicContact CE1-CD1 4.08Å; F49-I83 HydrophobicContact CE1-CG1 3.96Å; F49-Q84 HydrophobicContact CB-CB 4.3Å; F49-P85 HydrophobicContact CD2-CG 3.71Å; F49-P85 HydrophobicContact CE2-CG 3.85Å; F49-P85 HydrophobicContact CG-CG 4.26Å; F49-D157 HydrophobicContact CD2-CB 3.85Å; F49-D157 HydrophobicContact CE2-CB 4.03Å; F49-F158 HydrophobicContact CE2-CB 3.73Å; F49-F158 HydrophobicContact CZ-CB 4.08Å; F49-F222 HydrophobicContact CE1-CD1 4.33Å; F49-F222 AromaticContact CE1-CE1 3.98Å; F49-F222 HydrophobicContact CE1-CE1 3.98Å; F49-F222 HydrophobicContact CE1-CE2 4.43Å; F49-F222 HydrophobicContact CE1-CZ 4.03Å; F49-F222 HydrophobicContact CZ-CD1 4.1Å; F49-F222 AromaticContact CZ-CE1 3.73Å; F49-F222 HydrophobicContact CZ-CE1 3.73Å; F49-F222 HydrophobicContact CZ-CZ 4.21Å; F49-Y358 HydrophobicContact CE1-CE1 4.08Å; F49-Y358 HydrophobicContact CZ-CE1 4.14Å
50	R	97	Very high	91.4	Very high	57 Å²	57	49.4 Å²	49.4	22%	0.215	25%	0.249	C	C	.	.			trans	-95	107	-172.5	-58.5	163.2	-62.3	168.9	8.2	110.3	T44 E47 N155 D157 F158	T44-R50 HydrophobicContact CG2-CB 4.22Å; E47-R50 WeakPolarHBondContact O-CG 3.32Å; R50-N155 WeakPolarHBondContact CD-O 3.31Å; R50-N155 PolarHBondContact NE-O 3.18Å; R50-N155 VanDerWaalsContact NH1-C 3.32Å; R50-N155 PolarHBondContact NH1-O 3.48Å; R50-N155 VanDerWaalsContact NH1-O 3.14Å; R50-D157 WeakPolarHBondContact CB-OD2 3.44Å; R50-D157 IonicContact CZ-OD1 2.92Å; R50-D157 IonicContact CZ-OD2 3.68Å; R50-D157 PolarHBondContact N-OD2 2.92Å; R50-D157 IonicContact NE-OD1 3.69Å; R50-D157 IonicContact NE-OD2 2.93Å; R50-D157 PolarHBondContact NE-OD2 2.87Å; R50-D157 IonicContact NH2-OD1 3.81Å; R50-D157 PolarHBondContact NH2-OD1 2.77Å; R50-D157 IonicContact NH2-OD2 3.53Å; R50-D157 PolarHBondContact O-N 3.25Å; R50-F158 PolarHBondContact O-N 2.62Å
51	V	98.2	Very high	91.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.2	-179.8	-176.7	0	0	0	0	109.6	T44 V45 F49 V53 L76 T80 F158 L160 F222	T44-V51 CarbonylContact C-O 3.56Å; T44-V51 VanDerWaalsContact CA-O 3.29Å; T44-V51 WeakPolarHBondContact CA-O 3.36Å; V45-V51 PolarHBondContact N-O 2.91Å; V45-V51 PolarHBondContact O-N 3.13Å; F49-V51 HydrophobicContact CD2-CG2 4.13Å; F49-V51 HydrophobicContact CE1-CG2 4.46Å; F49-V51 HydrophobicContact CE2-CG2 3.98Å; F49-V51 HydrophobicContact CG-CG2 4.45Å; F49-V51 HydrophobicContact CZ-CG2 4.15Å; V51-V53 HydrophobicContact CG1-CG2 4.48Å; V51-L76 HydrophobicContact CB-CD2 4.09Å; V51-L76 HydrophobicContact CG1-CD1 4.25Å; V51-L76 HydrophobicContact CG1-CD2 3.82Å; V51-L76 HydrophobicContact CG2-CD2 4.11Å; V51-T80 HydrophobicContact CG2-CG2 3.84Å; V51-F158 HydrophobicContact CG1-CB 4.4Å; V51-F158 HydrophobicContact CG1-CD1 4.03Å; V51-F158 HydrophobicContact CG2-CB 4.2Å; V51-L160 HydrophobicContact CG1-CB 3.97Å; V51-F222 HydrophobicContact CG2-CZ 4.49Å
52	R	97.6	Very high	91.5	Very high	70 Å²	70	56.3 Å²	56.3	26%	0.264	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.5	169.9	174.4	59.2	60.8	157.7	4	108.8	T44 V54 Y133 I156 F158 V159 L160	T44-R52 PolarHBondContact OG1-NE 2.9Å; T44-R52 VanDerWaalsContact OG1-NE 3.17Å; T44-R52 PolarHBondContact OG1-NH2 3.5Å; T44-R52 VanDerWaalsContact OG1-NH2 3.11Å; R52-V54 HydrophobicContact CG-CG2 4.38Å; R52-Y133 WeakPolarHBondContact CG-OH 3.18Å; R52-I156 HydrophobicContact CB-CB 4.47Å; R52-I156 HydrophobicContact CB-CD1 3.9Å; R52-I156 HydrophobicContact CB-CG2 4.1Å; R52-I156 HydrophobicContact CG-CD1 4.49Å; R52-F158 PolarHBondContact N-O 2.75Å; R52-V159 HydrophobicContact CB-CG2 4.48Å; R52-V159 CarbonylContact O-C 3.55Å; R52-V159 WeakPolarHBondContact O-CA 3.31Å; R52-L160 PolarHBondContact O-N 3.36Å
53	V	97.7	Very high	91	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.8	174	-173.8	0	0	0	0	109.4	E42 F43 V51 L55 V72 L76 L160 V162	E42-V53 VanDerWaalsContact CA-O 3.28Å; E42-V53 WeakPolarHBondContact CA-O 3.41Å; F43-V53 HydrophobicContact CD1-CB 4.33Å; F43-V53 HydrophobicContact CD2-CB 4.11Å; F43-V53 HydrophobicContact CD2-CG2 4.16Å; F43-V53 HydrophobicContact CE1-CB 3.98Å; F43-V53 HydrophobicContact CE1-CG1 3.88Å; F43-V53 HydrophobicContact CE2-CB 3.73Å; F43-V53 HydrophobicContact CE2-CG1 4.15Å; F43-V53 HydrophobicContact CE2-CG2 3.63Å; F43-V53 HydrophobicContact CG-CB 4.41Å; F43-V53 HydrophobicContact CZ-CB 3.67Å; F43-V53 HydrophobicContact CZ-CG1 3.6Å; F43-V53 HydrophobicContact CZ-CG2 3.98Å; F43-V53 PolarHBondContact N-O 2.79Å; F43-V53 VanDerWaalsContact N-O 3.14Å; F43-V53 PolarHBondContact O-N 2.86Å; V51-V53 HydrophobicContact CG1-CG2 4.48Å; V53-L55 HydrophobicContact CG1-CD2 3.61Å; V53-L55 HydrophobicContact CG1-CG 4.19Å; V53-V72 HydrophobicContact CG1-CG1 4.14Å; V53-V72 HydrophobicContact CG2-CG1 4.43Å; V53-L76 HydrophobicContact CG2-CD1 3.24Å; V53-L160 CarbonylContact C-O 3.51Å; V53-L160 WeakPolarHBondContact CA-O 3.49Å; V53-L160 HydrophobicContact CG2-CD2 4.36Å; V53-V162 HydrophobicContact CG1-CG2 4.21Å
54	V	96.4	Very high	90.6	Very high	5 Å²	5	60 Å²	60	3%	0.03	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	104.2	173	-174.4	0	0	0	0	107.4	E42 R52 F127 P130 Y133 V159 L160 F161 V162	E42-V54 HydrophobicContact CG-CB 4.26Å; E42-V54 HydrophobicContact CG-CG1 4.02Å; E42-V54 HydrophobicContact CG-CG2 4.07Å; R52-V54 HydrophobicContact CG-CG2 4.38Å; V54-F127 HydrophobicContact CG1-CZ 4.33Å; V54-P130 HydrophobicContact CG1-CG 4.4Å; V54-Y133 HydrophobicContact CG2-CE2 3.58Å; V54-V159 HydrophobicContact CG2-CG1 4.17Å; V54-L160 PolarHBondContact N-O 2.85Å; V54-F161 HydrophobicContact CB-CD1 3.75Å; V54-F161 HydrophobicContact CB-CE1 4.09Å; V54-F161 HydrophobicContact CG1-CD1 4.09Å; V54-F161 HydrophobicContact CG1-CE1 4.36Å; V54-F161 HydrophobicContact CG2-CD1 4.13Å; V54-F161 HydrophobicContact CG2-CE1 3.97Å; V54-F161 WeakPolarHBondContact O-CA 3.03Å; V54-V162 PolarHBondContact O-N 3.48Å
55	L	94.9	Very high	90.2	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.3	174	-55.3	-174.9	0	0	0	109.2	S41 F43 V53 L59 F65 F68 K69 V162	S41-L55 WeakPolarHBondContact CB-O 3.42Å; S41-L55 WeakPolarHBondContact O-CB 3.36Å; S41-L55 WeakPolarHBondContact O-CG 3.27Å; S41-L55 PolarHBondContact O-N 2.72Å; F43-L55 HydrophobicContact CE1-CD1 3.84Å; F43-L55 HydrophobicContact CE1-CD2 4.45Å; F43-L55 HydrophobicContact CE1-CG 3.97Å; V53-L55 HydrophobicContact CG1-CD2 3.61Å; V53-L55 HydrophobicContact CG1-CG 4.19Å; L55-L59 HydrophobicContact CB-CD1 4.16Å; L55-L59 HydrophobicContact CD2-CD1 4.29Å; L55-F65 HydrophobicContact CB-CE2 4.35Å; L55-F65 HydrophobicContact CD1-CD2 4.47Å; L55-F65 HydrophobicContact CD1-CE2 3.46Å; L55-F65 VanDerWaalsContact CD1-CE2 3.46Å; L55-F65 HydrophobicContact CD1-CZ 3.72Å; L55-F68 HydrophobicContact CD1-CD1 4.45Å; L55-F68 HydrophobicContact CD2-CE1 4.11Å; L55-K69 HydrophobicContact CD1-CB 4.43Å; L55-V162 CarbonylContact C-O 3.52Å; L55-V162 WeakPolarHBondContact CA-O 3.44Å; L55-V162 HydrophobicContact CD2-CB 3.67Å; L55-V162 HydrophobicContact CD2-CG1 4.3Å; L55-V162 HydrophobicContact CD2-CG2 4.15Å
56	S	90.9	Very high	89.9	Confident	14 Å²	14	61.4 Å²	61.4	10%	0.098	32%	0.317	C	S	.	.			trans	-66.4	157.6	173.1	61.9	0	0	0	0	111.6	D58 L59 V162 R163	S56-D58 VanDerWaalsContact C-N 3.27Å; S56-D58 WeakPolarHBondContact CB-OD1 3.18Å; S56-D58 PolarHBondContact O-N 2.87Å; S56-D58 PolarHBondContact OG-OD1 2.76Å; S56-D58 PolarHBondContact OG-OD2 2.66Å; S56-L59 WeakPolarHBondContact O-CB 3.46Å; S56-L59 PolarHBondContact O-N 3.26Å; S56-V162 PolarHBondContact N-O 2.93Å; S56-R163 VanDerWaalsContact OG-CA 3.22Å; S56-R163 WeakPolarHBondContact OG-CA 3.36Å; S56-R163 VanDerWaalsContact OG-CB 3.25Å; S56-R163 WeakPolarHBondContact OG-CB 3.4Å
57	K	84.6	Confident	89.6	Confident	172 Å²	172	62.5 Å²	62.5	75%	0.748	32%	0.315	S	S	*	.	H	α-helix	trans	-64.9	-29.6	-179.6	-68.9	-177.9	178.8	177.3	0	113	L59 E60	K57-L59 PolarHBondContact O-N 3.17Å; K57-E60 WeakPolarHBondContact O-CB 3.46Å; K57-E60 PolarHBondContact O-N 2.76Å; K57-E60 VanDerWaalsContact O-N 3.08Å
58	D	80.8	Confident	89.6	Confident	77 Å²	77	54 Å²	54	41%	0.412	28%	0.276	S	S	.	.	H	α-helix	trans	-59.9	-32.4	176.5	51.8	-79.4	0	0	0	112.6	S56 S164	S56-D58 VanDerWaalsContact C-N 3.27Å; S56-D58 WeakPolarHBondContact CB-OD1 3.18Å; S56-D58 PolarHBondContact O-N 2.87Å; S56-D58 PolarHBondContact OG-OD1 2.76Å; S56-D58 PolarHBondContact OG-OD2 2.66Å; D58-S164 PolarHBondContact OD2-N 3.27Å; D58-S164 VanDerWaalsContact OD2-N 3.08Å
59	L	84.8	Confident	89.6	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-34	174.9	-75.5	165.6	0	0	0	112.4	L55 S56 K57 N61 N62 F65 F68 V162 M200	L55-L59 HydrophobicContact CB-CD1 4.16Å; L55-L59 HydrophobicContact CD2-CD1 4.29Å; S56-L59 WeakPolarHBondContact O-CB 3.46Å; S56-L59 PolarHBondContact O-N 3.26Å; K57-L59 PolarHBondContact O-N 3.17Å; L59-N61 PolarHBondContact O-N 3.37Å; L59-N62 VanDerWaalsContact O-CB 3.22Å; L59-N62 WeakPolarHBondContact O-CB 3.45Å; L59-N62 PolarHBondContact O-N 3.11Å; L59-F65 VanDerWaalsContact C-CD2 3.45Å; L59-F65 HydrophobicContact CB-CD2 4.1Å; L59-F65 HydrophobicContact CB-CE2 4.04Å; L59-F65 WeakPolarHBondContact O-CD2 3.19Å; L59-F68 HydrophobicContact CD1-CD1 4.33Å; L59-F68 HydrophobicContact CD1-CE1 3.61Å; L59-F68 HydrophobicContact CD1-CZ 4.09Å; L59-F68 HydrophobicContact CD2-CD1 3.99Å; L59-F68 HydrophobicContact CD2-CE1 3.8Å; L59-F68 HydrophobicContact CD2-CE2 4.33Å; L59-F68 HydrophobicContact CD2-CG 4.34Å; L59-F68 HydrophobicContact CD2-CZ 3.97Å; L59-F68 HydrophobicContact CG-CE1 4.31Å; L59-V162 HydrophobicContact CD1-CG1 4.38Å; L59-V162 VanDerWaalsContact CD1-O 3.3Å; L59-V162 WeakPolarHBondContact CD1-O 3.02Å; L59-M200 HydrophobicContact CD2-CE 3.61Å
60	E	79.6	Confident	89.5	Confident	78 Å²	78	50.3 Å²	50.3	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-27.5	-178.1	-63.4	-172.1	157	0	0	112.6	S41 K57 N62 F65	S41-E60 WeakPolarHBondContact CA-OE1 3.36Å; S41-E60 WeakPolarHBondContact CB-OE1 3.26Å; S41-E60 PolarHBondContact N-OE1 2.99Å; S41-E60 VanDerWaalsContact N-OE1 3.13Å; S41-E60 PolarHBondContact OG-OE1 2.63Å; K57-E60 WeakPolarHBondContact O-CB 3.46Å; K57-E60 PolarHBondContact O-N 2.76Å; K57-E60 VanDerWaalsContact O-N 3.08Å; E60-N62 VanDerWaalsContact C-N 3.27Å; E60-N62 PolarHBondContact O-N 3.29Å; E60-F65 HydrophobicContact CB-CE2 4.49Å; E60-F65 HydrophobicContact CG-CE1 4.44Å; E60-F65 HydrophobicContact CG-CE2 4Å; E60-F65 HydrophobicContact CG-CZ 3.84Å
61	N	77.5	Confident	89.4	Confident	146 Å²	146	48.2 Å²	48.2	78%	0.781	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.2	177.5	-65.9	-28	0	0	0	113.3	L59	L59-N61 PolarHBondContact O-N 3.37Å
62	N	80	Confident	89.3	Confident	53 Å²	53	48.3 Å²	48.3	28%	0.283	26%	0.255	S	S	.	.	S	Bend	trans	-75.1	130.5	178.9	-169.3	-53.4	0	0	0	110.7	L59 E60 N64 F65	L59-N62 VanDerWaalsContact O-CB 3.22Å; L59-N62 WeakPolarHBondContact O-CB 3.45Å; L59-N62 PolarHBondContact O-N 3.11Å; E60-N62 VanDerWaalsContact C-N 3.27Å; E60-N62 PolarHBondContact O-N 3.29Å; N62-N64 PolarHBondContact O-N 2.73Å; N62-N64 VanDerWaalsContact O-N 3.09Å; N62-N64 PolarHBondContact OD1-N 3.36Å; N62-F65 WeakPolarHBondContact O-CB 3.06Å; N62-F65 PolarHBondContact O-N 3.29Å
63	A	83.3	Confident	89.3	Confident	100 Å²	100	46.8 Å²	46.8	83%	0.826	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.5	178.5	0	0	0	0	0	113.4
64	N	86	Confident	89.2	Confident	56 Å²	56	49.3 Å²	49.3	30%	0.299	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	25.7	179.5	-63.4	-43.2	0	0	0	112.5	N62 D66 L67 F68 L203 D204	N62-N64 PolarHBondContact O-N 2.73Å; N62-N64 VanDerWaalsContact O-N 3.09Å; N62-N64 PolarHBondContact OD1-N 3.36Å; N64-D66 VanDerWaalsContact C-N 3.31Å; N64-D66 PolarHBondContact O-N 3Å; N64-L67 HydrophobicContact CB-CB 4.39Å; N64-L67 WeakPolarHBondContact O-CB 3.25Å; N64-L67 PolarHBondContact O-N 3.26Å; N64-F68 PolarHBondContact O-N 3.42Å; N64-L203 HydrophobicContact CB-CD2 3.61Å; N64-L203 HydrophobicContact CB-CG 4.09Å; N64-D204 PolarHBondContact ND2-OD1 3.11Å; N64-D204 PolarHBondContact ND2-OD2 3.25Å
65	F	89	Confident	89.3	Confident	23 Å²	23	49.1 Å²	49.1	10%	0.101	26%	0.263	C	S	.	.	H	α-helix	trans	-53	-42.6	179.1	176.7	-112.9	0	0	0	113.7	L55 L59 E60 N62 L67 F68 K69	L55-F65 HydrophobicContact CB-CE2 4.35Å; L55-F65 HydrophobicContact CD1-CD2 4.47Å; L55-F65 HydrophobicContact CD1-CE2 3.46Å; L55-F65 VanDerWaalsContact CD1-CE2 3.46Å; L55-F65 HydrophobicContact CD1-CZ 3.72Å; L59-F65 VanDerWaalsContact C-CD2 3.45Å; L59-F65 HydrophobicContact CB-CD2 4.1Å; L59-F65 HydrophobicContact CB-CE2 4.04Å; L59-F65 WeakPolarHBondContact O-CD2 3.19Å; E60-F65 HydrophobicContact CB-CE2 4.49Å; E60-F65 HydrophobicContact CG-CE1 4.44Å; E60-F65 HydrophobicContact CG-CE2 4Å; E60-F65 HydrophobicContact CG-CZ 3.84Å; N62-F65 WeakPolarHBondContact O-CB 3.06Å; N62-F65 PolarHBondContact O-N 3.29Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.27Å; F65-F68 WeakPolarHBondContact O-CB 3.32Å; F65-F68 PolarHBondContact O-N 3.36Å; F65-K69 HydrophobicContact CE1-CD 4.4Å; F65-K69 VanDerWaalsContact O-CB 3.29Å; F65-K69 WeakPolarHBondContact O-CB 3.41Å; F65-K69 PolarHBondContact O-N 2.72Å
66	D	90.1	Very high	89.5	Confident	79 Å²	79	48.9 Å²	48.9	42%	0.422	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-36.4	178.8	-79.3	-36.3	0	0	0	112.3	I37 N64 L70	I37-D66 HydrophobicContact CD1-CB 4.47Å; N64-D66 VanDerWaalsContact C-N 3.31Å; N64-D66 PolarHBondContact O-N 3Å; D66-L70 WeakPolarHBondContact O-CB 3.14Å; D66-L70 PolarHBondContact O-N 3.19Å
67	L	90.2	Very high	89.8	Confident	56 Å²	56	52.7 Å²	52.7	29%	0.293	27%	0.274	S	S	.	.	H	α-helix	trans	-67.8	-41.8	174.5	-178.6	60.5	0	0	0	110.9	N64 F65 L70 Q71 L203	N64-L67 HydrophobicContact CB-CB 4.39Å; N64-L67 WeakPolarHBondContact O-CB 3.25Å; N64-L67 PolarHBondContact O-N 3.26Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.27Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 2.84Å; L67-Q71 WeakPolarHBondContact O-CG 3.06Å; L67-Q71 PolarHBondContact O-N 3.45Å; L67-Q71 VanDerWaalsContact O-N 3.08Å; L67-L203 HydrophobicContact CB-CD1 4.15Å; L67-L203 HydrophobicContact CD2-CD1 4.02Å; L67-L203 HydrophobicContact CD2-CG 4.26Å; L67-L203 WeakPolarHBondContact CD2-O 3.47Å; L67-L203 HydrophobicContact CG-CD1 3.75Å; L67-L203 HydrophobicContact CG-CG 4.48Å
68	F	92.5	Very high	90.5	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-48.9	175.6	177.5	-96.4	0	0	0	110.9	L55 L59 N64 F65 L70 Q71 V72 V162 I196 M200 L203 L210	L55-F68 HydrophobicContact CD1-CD1 4.45Å; L55-F68 HydrophobicContact CD2-CE1 4.11Å; L59-F68 HydrophobicContact CD1-CD1 4.33Å; L59-F68 HydrophobicContact CD1-CE1 3.61Å; L59-F68 HydrophobicContact CD1-CZ 4.09Å; L59-F68 HydrophobicContact CD2-CD1 3.99Å; L59-F68 HydrophobicContact CD2-CE1 3.8Å; L59-F68 HydrophobicContact CD2-CE2 4.33Å; L59-F68 HydrophobicContact CD2-CG 4.34Å; L59-F68 HydrophobicContact CD2-CZ 3.97Å; L59-F68 HydrophobicContact CG-CE1 4.31Å; N64-F68 PolarHBondContact O-N 3.42Å; F65-F68 WeakPolarHBondContact O-CB 3.32Å; F65-F68 PolarHBondContact O-N 3.36Å; F68-L70 PolarHBondContact O-N 3.11Å; F68-Q71 PolarHBondContact O-N 2.79Å; F68-V72 HydrophobicContact CD1-CG2 4.16Å; F68-V72 HydrophobicContact CE1-CG2 3.64Å; F68-V72 HydrophobicContact CE2-CG2 4.44Å; F68-V72 HydrophobicContact CZ-CG2 3.8Å; F68-V72 PolarHBondContact O-N 2.02Å; F68-V162 HydrophobicContact CE1-CG1 4.16Å; F68-V162 HydrophobicContact CZ-CG1 3.81Å; F68-I196 HydrophobicContact CE2-CG1 3.95Å; F68-I196 HydrophobicContact CZ-CG1 3.98Å; F68-M200 HydrophobicContact CD2-CE 3.94Å; F68-M200 HydrophobicContact CD2-SD 4.14Å; F68-M200 HydrophobicContact CE2-CE 3.8Å; F68-M200 HydrophobicContact CE2-SD 4.48Å; F68-L203 HydrophobicContact CB-CD1 3.96Å; F68-L203 HydrophobicContact CB-CD2 4.02Å; F68-L210 HydrophobicContact CD2-CD2 4.06Å; F68-L210 HydrophobicContact CE2-CD2 4.4Å
69	K	93.7	Very high	91.3	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-35.4	176.2	-178.4	166.6	176.5	172.2	0	112	I37 P38 G40 F43 L55 F65 K73	I37-K69 HydrophobicContact CG2-CD 3.61Å; I37-K69 HydrophobicContact CG2-CG 4.25Å; P38-K69 PolarHBondContact O-NZ 3.23Å; G40-K69 PolarHBondContact O-NZ 3.4Å; F43-K69 HydrophobicContact CD1-CD 4.21Å; F43-K69 HydrophobicContact CD1-CG 4.38Å; F43-K69 HydrophobicContact CE1-CD 3.97Å; F43-K69 HydrophobicContact CE1-CG 3.76Å; F43-K69 HydrophobicContact CZ-CG 3.96Å; L55-K69 HydrophobicContact CD1-CB 4.43Å; F65-K69 HydrophobicContact CE1-CD 4.4Å; F65-K69 VanDerWaalsContact O-CB 3.29Å; F65-K69 WeakPolarHBondContact O-CB 3.41Å; F65-K69 PolarHBondContact O-N 2.72Å; K69-K73 HydrophobicContact CG-CD 4.49Å; K69-K73 WeakPolarHBondContact O-CB 3.36Å; K69-K73 VanDerWaalsContact O-CG 3.28Å; K69-K73 WeakPolarHBondContact O-CG 3Å; K69-K73 PolarHBondContact O-N 3.46Å
70	L	93.9	Very high	92	Very high	62 Å²	62	42.8 Å²	42.8	33%	0.325	23%	0.228	S	C	.	.	H	α-helix	trans	-65	-44.4	173.3	-178.9	63.4	0	0	0	111.9	D66 L67 F68 V72 K73 D74	D66-L70 WeakPolarHBondContact O-CB 3.14Å; D66-L70 PolarHBondContact O-N 3.19Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 2.84Å; F68-L70 PolarHBondContact O-N 3.11Å; L70-V72 PolarHBondContact O-N 3.41Å; L70-K73 PolarHBondContact O-N 3.11Å; L70-D74 PolarHBondContact O-N 3.31Å
71	Q	94.8	Very high	92.8	Very high	14 Å²	14	45.5 Å²	45.5	7%	0.065	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-43.7	178.1	-59.1	-39.6	-52.4	0	0	112.1	L67 F68 K73 D74 A75 P207 L210 K211 I214	L67-Q71 WeakPolarHBondContact O-CG 3.06Å; L67-Q71 PolarHBondContact O-N 3.45Å; L67-Q71 VanDerWaalsContact O-N 3.08Å; F68-Q71 PolarHBondContact O-N 2.79Å; Q71-K73 VanDerWaalsContact C-N 3.34Å; Q71-K73 PolarHBondContact O-N 2.83Å; Q71-D74 PolarHBondContact O-N 3.25Å; Q71-A75 WeakPolarHBondContact O-CB 3.34Å; Q71-A75 PolarHBondContact O-N 2.93Å; Q71-P207 HydrophobicContact CG-CB 4.16Å; Q71-P207 PolarHBondContact OE1-O 2.77Å; Q71-L210 HydrophobicContact CG-CD2 4.4Å; Q71-K211 HydrophobicContact CB-CB 4.45Å; Q71-I214 HydrophobicContact CB-CD1 4.12Å
72	V	96.6	Very high	93.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-44.9	175.2	176	0	0	0	0	111.1	F43 V53 F68 L70 D74 L76 I214	F43-V72 HydrophobicContact CZ-CG1 4.15Å; V53-V72 HydrophobicContact CG1-CG1 4.14Å; V53-V72 HydrophobicContact CG2-CG1 4.43Å; F68-V72 HydrophobicContact CD1-CG2 4.16Å; F68-V72 HydrophobicContact CE1-CG2 3.64Å; F68-V72 HydrophobicContact CE2-CG2 4.44Å; F68-V72 HydrophobicContact CZ-CG2 3.8Å; F68-V72 PolarHBondContact O-N 2.02Å; L70-V72 PolarHBondContact O-N 3.41Å; V72-D74 PolarHBondContact O-N 3.07Å; V72-L76 HydrophobicContact CG1-CD1 4.03Å; V72-L76 WeakPolarHBondContact O-CB 3.42Å; V72-L76 PolarHBondContact O-N 3.03Å; V72-I214 HydrophobicContact CG2-CD1 3.99Å
73	K	97.3	Very high	94.7	Very high	38 Å²	38	36.2 Å²	36.2	17%	0.165	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-41.5	176.8	-77.5	177.1	176.1	-175.4	0	112.3	F43 V45 K69 L70 Q71 R77	F43-K73 HydrophobicContact CD2-CD 4.42Å; F43-K73 HydrophobicContact CD2-CG 3.99Å; F43-K73 HydrophobicContact CE2-CD 4.23Å; F43-K73 HydrophobicContact CE2-CG 3.45Å; F43-K73 VanDerWaalsContact CE2-CG 3.45Å; F43-K73 HydrophobicContact CZ-CG 4.13Å; V45-K73 HydrophobicContact CG2-CG 3.98Å; K69-K73 HydrophobicContact CG-CD 4.49Å; K69-K73 WeakPolarHBondContact O-CB 3.36Å; K69-K73 VanDerWaalsContact O-CG 3.28Å; K69-K73 WeakPolarHBondContact O-CG 3Å; K69-K73 PolarHBondContact O-N 3.46Å; L70-K73 PolarHBondContact O-N 3.11Å; Q71-K73 VanDerWaalsContact C-N 3.34Å; Q71-K73 PolarHBondContact O-N 2.83Å; K73-R77 VanDerWaalsContact O-CB 3.3Å; K73-R77 WeakPolarHBondContact O-CB 3.3Å; K73-R77 VanDerWaalsContact O-CG 3.24Å; K73-R77 WeakPolarHBondContact O-CG 3Å; K73-R77 PolarHBondContact O-N 3.21Å
74	D	96.7	Very high	95.4	Very high	54 Å²	54	34.2 Å²	34.2	29%	0.289	16%	0.163	S	C	.	.	H	α-helix	trans	-69.2	-41.5	-179	-78.2	-1	0	0	0	112.2	L70 Q71 V72 R77 F78 K211	L70-D74 PolarHBondContact O-N 3.31Å; Q71-D74 PolarHBondContact O-N 3.25Å; V72-D74 PolarHBondContact O-N 3.07Å; D74-R77 PolarHBondContact O-N 3.33Å; D74-R77 IonicContact OD1-CZ 3.88Å; D74-R77 VanDerWaalsContact OD1-CZ 3.27Å; D74-R77 IonicContact OD1-NE 2.82Å; D74-R77 PolarHBondContact OD1-NE 3.4Å; D74-R77 IonicContact OD1-NH2 3.51Å; D74-R77 PolarHBondContact OD1-NH2 3.04Å; D74-F78 PolarHBondContact O-N 2.85Å; D74-F78 VanDerWaalsContact O-N 3.15Å; D74-K211 HydrophobicContact CB-CD 3.89Å
75	A	98	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-47.7	173	0	0	0	0	0	111.9	Q71 R77 F78 W79 K211 I214 I215 L218	Q71-A75 WeakPolarHBondContact O-CB 3.34Å; Q71-A75 PolarHBondContact O-N 2.93Å; A75-R77 PolarHBondContact O-N 2.81Å; A75-F78 WeakPolarHBondContact O-CB 3.33Å; A75-F78 PolarHBondContact O-N 3.09Å; A75-W79 PolarHBondContact O-N 2.84Å; A75-K211 HydrophobicContact CB-CG 4.27Å; A75-I214 HydrophobicContact CB-CB 3.99Å; A75-I214 HydrophobicContact CB-CG2 3.55Å; A75-I215 HydrophobicContact CB-CD1 4.48Å; A75-I215 HydrophobicContact CB-CG1 3.59Å; A75-L218 HydrophobicContact CB-CD1 3.93Å
76	L	98.6	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-35.7	176.1	-78.6	168.5	0	0	0	113	V45 V51 V53 V72 F78 W79 T80 L160 L218 F222	V45-L76 HydrophobicContact CB-CB 3.97Å; V45-L76 HydrophobicContact CB-CD1 4.19Å; V45-L76 HydrophobicContact CG1-CB 3.69Å; V45-L76 HydrophobicContact CG2-CB 4.31Å; V45-L76 HydrophobicContact CG2-CD1 4.02Å; V51-L76 HydrophobicContact CB-CD2 4.09Å; V51-L76 HydrophobicContact CG1-CD1 4.25Å; V51-L76 HydrophobicContact CG1-CD2 3.82Å; V51-L76 HydrophobicContact CG2-CD2 4.11Å; V53-L76 HydrophobicContact CG2-CD1 3.24Å; V72-L76 HydrophobicContact CG1-CD1 4.03Å; V72-L76 WeakPolarHBondContact O-CB 3.42Å; V72-L76 PolarHBondContact O-N 3.03Å; L76-F78 PolarHBondContact O-N 2.9Å; L76-W79 PolarHBondContact O-N 2.75Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 VanDerWaalsContact O-CG2 3.26Å; L76-T80 WeakPolarHBondContact O-CG2 3.41Å; L76-T80 PolarHBondContact O-N 2.85Å; L76-T80 PolarHBondContact O-OG1 3.02Å; L76-L160 HydrophobicContact CD1-CD2 4.13Å; L76-L160 HydrophobicContact CD2-CD2 4.39Å; L76-L218 HydrophobicContact CD2-CD1 3.84Å; L76-L218 HydrophobicContact CD2-CD2 3.66Å; L76-L218 HydrophobicContact CD2-CG 4.45Å; L76-L218 HydrophobicContact CG-CD1 3.96Å; L76-L218 HydrophobicContact CG-CD2 4.38Å; L76-F222 HydrophobicContact CD2-CZ 4.2Å
77	R	98.4	Very high	96.4	Very high	94 Å²	94	36.2 Å²	36.2	36%	0.355	17%	0.165	S	C	.	.	H	α-helix	trans	-62.5	-31.1	175.4	-84.7	-170.3	-83.8	-148.8	-0.5	112.6	V45 K73 D74 A75 K81	V45-R77 HydrophobicContact CG1-CG 3.79Å; K73-R77 VanDerWaalsContact O-CB 3.3Å; K73-R77 WeakPolarHBondContact O-CB 3.3Å; K73-R77 VanDerWaalsContact O-CG 3.24Å; K73-R77 WeakPolarHBondContact O-CG 3Å; K73-R77 PolarHBondContact O-N 3.21Å; D74-R77 PolarHBondContact O-N 3.33Å; D74-R77 IonicContact OD1-CZ 3.88Å; D74-R77 VanDerWaalsContact OD1-CZ 3.27Å; D74-R77 IonicContact OD1-NE 2.82Å; D74-R77 PolarHBondContact OD1-NE 3.4Å; D74-R77 IonicContact OD1-NH2 3.51Å; D74-R77 PolarHBondContact OD1-NH2 3.04Å; A75-R77 PolarHBondContact O-N 2.81Å; R77-K81 WeakPolarHBondContact O-CD 3.04Å; R77-K81 VanDerWaalsContact O-CG 3.3Å; R77-K81 WeakPolarHBondContact O-CG 3.39Å
78	F	98.2	Very high	96.5	Very high	28 Å²	28	37.3 Å²	37.3	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-58	169.9	174.9	-87	0	0	0	110.2	D74 A75 L76 T80 K81 A82 I215 V344 M364 E366	D74-F78 PolarHBondContact O-N 2.85Å; D74-F78 VanDerWaalsContact O-N 3.15Å; A75-F78 WeakPolarHBondContact O-CB 3.33Å; A75-F78 PolarHBondContact O-N 3.09Å; L76-F78 PolarHBondContact O-N 2.9Å; F78-T80 PolarHBondContact O-N 2.95Å; F78-K81 PolarHBondContact O-N 3.24Å; F78-K81 VanDerWaalsContact O-N 3.14Å; F78-A82 HydrophobicContact CE1-CB 4.07Å; F78-A82 HydrophobicContact CZ-CB 4.34Å; F78-A82 PolarHBondContact O-N 3.03Å; F78-I215 HydrophobicContact CB-CD1 4.45Å; F78-I215 HydrophobicContact CD1-CG2 4.44Å; F78-V344 HydrophobicContact CD1-CG2 4.13Å; F78-V344 HydrophobicContact CE1-CB 3.62Å; F78-V344 HydrophobicContact CE1-CG1 3.75Å; F78-V344 HydrophobicContact CE1-CG2 3.39Å; F78-V344 HydrophobicContact CE2-CB 4.49Å; F78-V344 HydrophobicContact CZ-CB 3.47Å; F78-V344 VanDerWaalsContact CZ-CB 3.47Å; F78-V344 HydrophobicContact CZ-CG1 3.87Å; F78-V344 HydrophobicContact CZ-CG2 3.64Å; F78-M364 HydrophobicContact CD2-CE 3.91Å; F78-M364 HydrophobicContact CE2-CE 3.94Å; F78-E366 HydrophobicContact CE2-CG 4.19Å
79	W	98.6	Very high	96.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-47.1	-174.6	-84.8	113.8	0	0	0	113.6	A75 L76 K81 A82 I83 I215 L218 F222 V344 T348 L349 F352	A75-W79 PolarHBondContact O-N 2.84Å; L76-W79 PolarHBondContact O-N 2.75Å; W79-K81 PolarHBondContact O-N 3.02Å; W79-K81 VanDerWaalsContact O-N 3.08Å; W79-A82 PolarHBondContact O-N 2.85Å; W79-I83 HydrophobicContact CE3-CD1 3.72Å; W79-I83 HydrophobicContact CE3-CG1 4.04Å; W79-I83 HydrophobicContact CE3-CG2 4.3Å; W79-I83 HydrophobicContact CZ3-CD1 4.09Å; W79-I83 HydrophobicContact CZ3-CG2 4.23Å; W79-I83 PolarHBondContact O-N 2.57Å; W79-I215 HydrophobicContact CZ2-CG2 4.31Å; W79-I215 PolarHBondContact NE1-O 3.08Å; W79-L218 HydrophobicContact CG-CB 4.45Å; W79-F222 HydrophobicContact CB-CE2 3.73Å; W79-F222 HydrophobicContact CD2-CD2 4.07Å; W79-F222 HydrophobicContact CD2-CE2 4.03Å; W79-F222 HydrophobicContact CE3-CD2 4.26Å; W79-F222 HydrophobicContact CG-CD2 4.22Å; W79-F222 AromaticContact CG-CE2 3.68Å; W79-F222 HydrophobicContact CG-CE2 3.68Å; W79-V344 HydrophobicContact CH2-CG1 4.17Å; W79-T348 HydrophobicContact CH2-CG2 3.88Å; W79-L349 HydrophobicContact CZ3-CD2 4.38Å; W79-F352 AromaticContact CH2-CD2 3.7Å; W79-F352 HydrophobicContact CH2-CD2 3.7Å; W79-F352 AromaticContact CH2-CE2 3.23Å; W79-F352 HydrophobicContact CH2-CE2 3.23Å; W79-F352 AromaticContact CH2-CZ 3.89Å; W79-F352 HydrophobicContact CH2-CZ 3.89Å; W79-F352 HydrophobicContact CZ2-CE2 4.22Å; W79-F352 AromaticContact CZ3-CD2 3.65Å; W79-F352 HydrophobicContact CZ3-CD2 3.65Å; W79-F352 AromaticContact CZ3-CE2 3.58Å; W79-F352 HydrophobicContact CZ3-CE2 3.58Å; W79-F352 HydrophobicContact CZ3-CG 4.29Å; W79-F352 HydrophobicContact CZ3-CZ 4.13Å
80	T	98.4	Very high	95.9	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.086	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-12.8	179.7	55.5	0	0	0	0	114.3	F49 V51 L76 F78	F49-T80 HydrophobicContact CB-CG2 4.22Å; F49-T80 HydrophobicContact CD1-CG2 4.29Å; F49-T80 HydrophobicContact CG-CG2 4.31Å; F49-T80 WeakPolarHBondContact O-CG2 3.21Å; V51-T80 HydrophobicContact CG2-CG2 3.84Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 VanDerWaalsContact O-CG2 3.26Å; L76-T80 WeakPolarHBondContact O-CG2 3.41Å; L76-T80 PolarHBondContact O-N 2.85Å; L76-T80 PolarHBondContact O-OG1 3.02Å; F78-T80 PolarHBondContact O-N 2.95Å
81	K	98.3	Very high	95.4	Very high	136 Å²	136	42.3 Å²	42.3	59%	0.591	20%	0.198	S	C	*	.	H	α-helix	trans	-97.3	-26.9	169.6	-71.4	178.8	179.7	-177.4	0	113.1	R77 F78 W79 M364	R77-K81 WeakPolarHBondContact O-CD 3.04Å; R77-K81 VanDerWaalsContact O-CG 3.3Å; R77-K81 WeakPolarHBondContact O-CG 3.39Å; F78-K81 PolarHBondContact O-N 3.24Å; F78-K81 VanDerWaalsContact O-N 3.14Å; W79-K81 PolarHBondContact O-N 3.02Å; W79-K81 VanDerWaalsContact O-N 3.08Å; K81-M364 HydrophobicContact CB-CE 3.89Å; K81-M364 HydrophobicContact CB-SD 4.27Å
82	A	98.5	Very high	95.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-80.2	-37.9	179.5	0	0	0	0	0	112.2	F78 W79 L349 V360 N361 M364	F78-A82 HydrophobicContact CE1-CB 4.07Å; F78-A82 HydrophobicContact CZ-CB 4.34Å; F78-A82 PolarHBondContact O-N 3.03Å; W79-A82 PolarHBondContact O-N 2.85Å; A82-L349 HydrophobicContact CB-CD2 4.09Å; A82-V360 WeakPolarHBondContact O-CA 3.22Å; A82-N361 PolarHBondContact O-N 3.24Å; A82-M364 HydrophobicContact CB-CB 3.98Å; A82-M364 HydrophobicContact CB-CG 4.29Å
83	I	98.3	Very high	95	Very high	3 Å²	3	47 Å²	47	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.3	-177.7	69.6	177.3	0	0	0	111.2	F49 W79 F222 F352 Y358 D359 V360	F49-I83 HydrophobicContact CD1-CG1 3.97Å; F49-I83 WeakPolarHBondContact CD1-O 3.33Å; F49-I83 HydrophobicContact CE1-CD1 4.08Å; F49-I83 HydrophobicContact CE1-CG1 3.96Å; W79-I83 HydrophobicContact CE3-CD1 3.72Å; W79-I83 HydrophobicContact CE3-CG1 4.04Å; W79-I83 HydrophobicContact CE3-CG2 4.3Å; W79-I83 HydrophobicContact CZ3-CD1 4.09Å; W79-I83 HydrophobicContact CZ3-CG2 4.23Å; W79-I83 PolarHBondContact O-N 2.57Å; I83-F222 HydrophobicContact CD1-CB 4.42Å; I83-F222 HydrophobicContact CD1-CD2 3.97Å; I83-F222 HydrophobicContact CD1-CG 4.29Å; I83-F352 HydrophobicContact CD1-CD1 4.19Å; I83-F352 HydrophobicContact CG2-CB 4.1Å; I83-F352 HydrophobicContact CG2-CG 4.43Å; I83-Y358 HydrophobicContact CB-CD1 4.2Å; I83-Y358 HydrophobicContact CB-CG 4.21Å; I83-Y358 HydrophobicContact CD1-CD1 3.96Å; I83-Y358 HydrophobicContact CD1-CD2 4.34Å; I83-Y358 HydrophobicContact CD1-CE1 3.99Å; I83-Y358 HydrophobicContact CD1-CE2 4.37Å; I83-Y358 HydrophobicContact CD1-CG 4.15Å; I83-Y358 HydrophobicContact CG1-CD1 4.18Å; I83-D359 WeakPolarHBondContact CA-O 3.4Å; I83-V360 HydrophobicContact CG2-CG1 4.27Å; I83-V360 HydrophobicContact CG2-CG2 3.96Å
84	Q	96.7	Very high	94.8	Very high	57 Å²	57	46.4 Å²	46.4	27%	0.266	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.1	169.6	65	177.9	3.7	0	0	110.9	F49 K86 Y358 D359	F49-Q84 HydrophobicContact CB-CB 4.3Å; Q84-K86 PolarHBondContact O-N 3.08Å; Q84-Y358 CarbonylContact O-C 3.52Å; Q84-Y358 WeakPolarHBondContact O-CA 3.34Å; Q84-D359 HydrophobicContact CG-CB 3.88Å; Q84-D359 PolarHBondContact N-O 3.42Å; Q84-D359 PolarHBondContact O-N 3.26Å
85	P	96.9	Very high	94.7	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.019	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	132.7	177.3	-23.2	33.7	0	0	0	111.5	F49 K87 D157	F49-P85 HydrophobicContact CD2-CG 3.71Å; F49-P85 HydrophobicContact CE2-CG 3.85Å; F49-P85 HydrophobicContact CG-CG 4.26Å; P85-K87 WeakPolarHBondContact CB-O 3.16Å; P85-K87 PolarHBondContact O-N 2.88Å; P85-D157 HydrophobicContact CG-CB 4.06Å
86	K	96.2	Very high	94.4	Very high	63 Å²	63	46 Å²	46	27%	0.274	21%	0.213	S	C	.	.	S	Bend	trans	-63	-35.2	169.7	-75.4	179.6	177.3	-74.9	0	111.7	Q84 D235 G356 W357 Y358 D359	Q84-K86 PolarHBondContact O-N 3.08Å; K86-D235 WeakPolarHBondContact CE-OD1 3.45Å; K86-D235 IonicContact NZ-OD1 3.07Å; K86-D235 PolarHBondContact NZ-OD1 3.39Å; K86-G356 WeakPolarHBondContact CD-O 3.11Å; K86-W357 PolarHBondContact N-O 3.45Å; K86-Y358 WeakPolarHBondContact CE-O 3.45Å; K86-D359 WeakPolarHBondContact CG-OD1 3.25Å; K86-D359 IonicContact NZ-OD1 3.81Å; K86-D359 PolarHBondContact NZ-OD1 2.84Å
87	K	93.8	Very high	94.3	Very high	134 Å²	134	47.5 Å²	47.5	58%	0.583	22%	0.219	S	C	*	.	S	Bend	trans	-127.1	122.1	176.1	-67.3	-176.8	-177.7	176.9	0	109.9	P85 T186 R188	P85-K87 WeakPolarHBondContact CB-O 3.16Å; P85-K87 PolarHBondContact O-N 2.88Å; K87-T186 HydrophobicContact CB-CG2 4.04Å; K87-T186 HydrophobicContact CD-CG2 3.89Å; K87-R188 PolarHBondContact O-NH2 3.22Å
88	H	92.4	Very high	94.1	Very high	79 Å²	79	46.1 Å²	46.1	37%	0.366	22%	0.218	S	C	.	.			trans	-74.6	146.3	173.2	-64.2	-79	0	0	0	110.5	K48 T90 D157	K48-H88 PolarHBondContact O-CE1 3.34Å; K48-H88 VanDerWaalsContact O-CE1 3.26Å; H88-T90 PolarHBondContact O-N 3.24Å; H88-D157 IonicContact CE1-OD1 2.75Å; H88-D157 IonicContact CG-OD1 3.81Å; H88-D157 VanDerWaalsContact ND1-CG 3.35Å; H88-D157 IonicContact ND1-OD1 3.58Å; H88-D157 PolarHBondContact ND1-OD1 3.2Å; H88-D157 IonicContact ND1-OD2 3.51Å
89	P	89.5	Confident	93.9	Very high	7 Å²	7	46 Å²	46	5%	0.045	22%	0.22	C	C	.	.			trans	-56.3	131.3	173.7	-23.7	35.3	0	0	0	110.8	Q91 I93 I190	P89-Q91 PolarHBondContact O-N 2.68Å; P89-I93 HydrophobicContact CB-CG1 4.41Å; P89-I93 HydrophobicContact CG-CD1 4.22Å; P89-I93 HydrophobicContact CG-CG1 4.27Å; P89-I190 HydrophobicContact CG-CG2 4.39Å
90	T	83.8	Confident	93.7	Very high	88 Å²	88	53 Å²	53	54%	0.54	26%	0.258	S	S	.	.	S	Bend	trans	-78.8	-13.7	176	58.3	0	0	0	0	112.1	H88	H88-T90 PolarHBondContact O-N 3.24Å
91	Q	83.8	Confident	93.5	Very high	75 Å²	75	55.8 Å²	55.8	35%	0.35	27%	0.272	S	S	.	.	S	Bend	trans	-129.9	166.1	-173.2	-55.9	-178.5	33.7	0	0	110.5	P89 I93 K151	P89-Q91 PolarHBondContact O-N 2.68Å; Q91-I93 PolarHBondContact O-N 3.26Å; Q91-K151 HydrophobicContact CG-CB 4.14Å; Q91-K151 HydrophobicContact CG-CD 3.88Å; Q91-K151 HydrophobicContact CG-CG 3.81Å
92	K	89.9	Confident	93.2	Very high	106 Å²	106	55 Å²	55	46%	0.461	27%	0.265	S	S	.	.			trans	-61.8	133.7	169	-175	-176	172	-162.1	0	109	L94 K132 K152	K92-L94 HydrophobicContact CD-CD2 4.1Å; K92-L94 HydrophobicContact CG-CD2 4.39Å; K92-L94 HydrophobicContact CG-CG 4.47Å; K92-L94 PolarHBondContact O-N 3.43Å; K92-K132 PolarHBondContact NZ-O 3.39Å; K92-K152 PolarHBondContact N-O 2.62Å
93	I	92.7	Very high	93	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	28%	0.275	C	S	.	.			trans	-69.2	118.6	175.1	-61.4	171.1	0	0	0	108.3	P89 Q91 I156 D157 V159 I190 A191	P89-I93 HydrophobicContact CB-CG1 4.41Å; P89-I93 HydrophobicContact CG-CD1 4.22Å; P89-I93 HydrophobicContact CG-CG1 4.27Å; Q91-I93 PolarHBondContact O-N 3.26Å; I93-I156 HydrophobicContact CD1-CD1 4.42Å; I93-I156 HydrophobicContact CD1-CG1 4.19Å; I93-D157 VanDerWaalsContact CD1-C 3.47Å; I93-V159 HydrophobicContact CB-CG2 4.05Å; I93-V159 HydrophobicContact CD1-CG2 4.28Å; I93-V159 HydrophobicContact CG2-CG2 3.85Å; I93-I190 HydrophobicContact CD1-CB 4.2Å; I93-I190 HydrophobicContact CG1-CB 4.34Å; I93-I190 HydrophobicContact CG2-CB 4.28Å; I93-I190 HydrophobicContact CG2-CD1 4.17Å; I93-I190 HydrophobicContact CG2-CG1 4.23Å; I93-A191 HydrophobicContact CG2-CB 4.39Å
94	L	93	Very high	92.8	Very high	26 Å²	26	60.3 Å²	60.3	14%	0.136	29%	0.289	C	S	.	.			trans	-135.4	139.2	175.6	-63.3	176.8	0	0	0	108.8	K92 Y133 Q135 E149	K92-L94 HydrophobicContact CD-CD2 4.1Å; K92-L94 HydrophobicContact CG-CD2 4.39Å; K92-L94 HydrophobicContact CG-CG 4.47Å; K92-L94 PolarHBondContact O-N 3.43Å; L94-Y133 CarbonylContact C-O 3.53Å; L94-Y133 VanDerWaalsContact CA-O 3.3Å; L94-Y133 WeakPolarHBondContact CA-O 3.22Å; L94-Q135 HydrophobicContact CB-CB 4.49Å; L94-Q135 HydrophobicContact CB-CG 3.52Å; L94-Q135 PolarHBondContact O-NE2 2.85Å; L94-Q135 VanDerWaalsContact O-NE2 3.1Å; L94-E149 WeakPolarHBondContact CD1-OE2 3.5Å
95	I	94.4	Very high	92.6	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.046	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-98.4	135.3	-174.8	-58.1	170.5	0	0	0	109	I129 Y133 L134 Q135 F161 C180 E181 A191	I95-I129 HydrophobicContact CD1-CD1 4.2Å; I95-I129 HydrophobicContact CD1-CG1 4.44Å; I95-I129 HydrophobicContact CD1-CG2 4.02Å; I95-Y133 PolarHBondContact N-O 2.65Å; I95-L134 HydrophobicContact CB-CD2 4.39Å; I95-L134 WeakPolarHBondContact O-CA 3.34Å; I95-Q135 PolarHBondContact O-N 2.98Å; I95-F161 HydrophobicContact CD1-CE2 3.49Å; I95-F161 VanDerWaalsContact CD1-CE2 3.49Å; I95-F161 HydrophobicContact CD1-CZ 3.85Å; I95-C180 HydrophobicContact CD1-CB 4.1Å; I95-E181 WeakPolarHBondContact CA-OE2 3.24Å; I95-E181 HydrophobicContact CG1-CB 4.04Å; I95-E181 HydrophobicContact CG2-CB 4.42Å; I95-A191 HydrophobicContact CD1-CB 3.75Å; I95-A191 HydrophobicContact CG1-CB 3.98Å
96	E	92.9	Very high	92.4	Very high	38 Å²	38	65 Å²	65	18%	0.178	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-59.2	138	172.2	-167.1	180	170.4	0	0	110.9	R102 E181	E96-R102 IonicContact OE1-CZ 3.62Å; E96-R102 IonicContact OE1-NE 2.69Å; E96-R102 PolarHBondContact OE1-NE 3.16Å; E96-R102 IonicContact OE1-NH2 2.67Å; E96-R102 PolarHBondContact OE1-NH2 2.94Å; E96-R102 IonicContact OE2-CZ 3.92Å; E96-R102 IonicContact OE2-NE 3.81Å; E96-R102 PolarHBondContact OE2-NE 3.31Å; E96-R102 IonicContact OE2-NH2 3.7Å; E96-R102 PolarHBondContact OE2-NH2 2.8Å; E96-E181 PolarHBondContact N-OE2 3.25Å
97	R	95.4	Very high	92.2	Very high	31 Å²	31	67.7 Å²	67.7	12%	0.117	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-69.7	146.9	178	-70.3	177.3	163.5	-90.7	1.5	110.9	C118 N119 S122 E131 L134 Q135	R97-C118 HydrophobicContact CB-CB 3.79Å; R97-C118 HydrophobicContact CG-CB 4.42Å; R97-N119 PolarHBondContact NH1-O 2.96Å; R97-S122 WeakPolarHBondContact CA-OG 3.41Å; R97-E131 IonicContact CZ-OE1 3.53Å; R97-E131 IonicContact CZ-OE2 3.83Å; R97-E131 IonicContact NH2-OE1 2.69Å; R97-E131 PolarHBondContact NH2-OE1 3.06Å; R97-E131 IonicContact NH2-OE2 2.61Å; R97-E131 PolarHBondContact NH2-OE2 2.98Å; R97-L134 HydrophobicContact CG-CB 4.23Å; R97-L134 HydrophobicContact CG-CD1 4.39Å; R97-L134 HydrophobicContact CG-CD2 4.36Å; R97-Q135 PolarHBondContact NE-O 2.04Å
98	N	95.2	Very high	92.1	Very high	64 Å²	64	64.8 Å²	64.8	34%	0.342	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-68.4	153.1	169	-58.9	127.1	0	0	0	111.1	N119 S122 I123	N98-N119 PolarHBondContact O-N 3.21Å; N98-S122 PolarHBondContact N-OG 2.68Å; N98-S122 WeakPolarHBondContact OD1-CA 3.3Å; N98-I123 PolarHBondContact OD1-N 3.49Å; N98-I123 PolarHBondContact OD1-O 3.19Å; N98-I123 VanDerWaalsContact OD1-O 3.1Å
99	C	93.4	Very high	92	Very high	25 Å²	25	62.7 Å²	62.7	17%	0.169	31%	0.309	C	S	.	.			trans	-148.9	150.4	180	43.4	0	0	0	0	110.8	R102 C114 N119	C99-R102 WeakPolarHBondContact SG-CB 3.32Å; C99-C114 HydrophobicContact CB-CB 3.42Å; C99-C114 VanDerWaalsContact CB-CB 3.42Å; C99-C114 WeakPolarHBondContact CB-SG 3.39Å; C99-C114 PolarHBondContact SG-SG 3.2Å; C99-N119 WeakPolarHBondContact CA-OD1 3.45Å
100	D	93.5	Very high	92	Very high	147 Å²	147	68.2 Å²	68.2	79%	0.786	33%	0.329	S	S	*	.	S	Bend	trans	-72.2	-35.2	174.3	-60.1	-21.5	0	0	0	111	N119	D100-N119 PolarHBondContact N-OD1 3.49Å; D100-N119 PolarHBondContact OD1-ND2 3Å; D100-N119 PolarHBondContact OD1-OD1 3.17Å
101	N	94.2	Very high	92.4	Very high	74 Å²	74	67.9 Å²	67.9	40%	0.396	32%	0.318	S	S	.	.	S	Bend	trans	-129.3	100.2	174.9	-170.2	13.2	0	0	0	112.4	C114 E115	N101-C114 WeakPolarHBondContact O-CA 3.44Å; N101-E115 HydrophobicContact CB-CB 4.39Å; N101-E115 PolarHBondContact ND2-OE2 3.01Å; N101-E115 PolarHBondContact O-N 3.27Å
102	R	93.4	Very high	92.8	Very high	118 Å²	118	64.9 Å²	64.9	45%	0.445	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	105.7	179.4	-163.8	166.3	172.6	-86.9	2	111.2	E96 C99 H112	E96-R102 IonicContact OE1-CZ 3.62Å; E96-R102 IonicContact OE1-NE 2.69Å; E96-R102 PolarHBondContact OE1-NE 3.16Å; E96-R102 IonicContact OE1-NH2 2.67Å; E96-R102 PolarHBondContact OE1-NH2 2.94Å; E96-R102 IonicContact OE2-CZ 3.92Å; E96-R102 IonicContact OE2-NE 3.81Å; E96-R102 PolarHBondContact OE2-NE 3.31Å; E96-R102 IonicContact OE2-NH2 3.7Å; E96-R102 PolarHBondContact OE2-NH2 2.8Å; C99-R102 WeakPolarHBondContact SG-CB 3.32Å; R102-H112 HydrophobicContact CG-CB 3.96Å; R102-H112 PolarHBondContact NH1-CD2 3.14Å; R102-H112 PolarHBondContact NH1-CE1 2.78Å; R102-H112 VanDerWaalsContact NH1-CG 3.32Å; R102-H112 PolarHBondContact NH1-ND1 3.11Å; R102-H112 PolarHBondContact NH1-NE2 3.38Å; R102-H112 PolarHBondContact NH2-CE1 3.46Å; R102-H112 PolarHBondContact NH2-ND1 2.89Å
103	V	94.3	Very high	92.9	Very high	34 Å²	34	61.4 Å²	61.4	21%	0.206	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.4	-175.9	-176.2	0	0	0	0	111	H112 Y113 E115	V103-H112 CarbonylContact O-C 3.46Å; V103-H112 WeakPolarHBondContact O-CA 3.18Å; V103-H112 WeakPolarHBondContact O-CB 3.42Å; V103-Y113 HydrophobicContact CB-CD2 4.39Å; V103-Y113 HydrophobicContact CB-CE1 4.05Å; V103-Y113 HydrophobicContact CB-CE2 3.91Å; V103-Y113 HydrophobicContact CG1-CE1 3.87Å; V103-Y113 HydrophobicContact CG1-CE2 4.24Å; V103-Y113 WeakPolarHBondContact CG1-OH 2.99Å; V103-Y113 HydrophobicContact CG2-CE2 4.48Å; V103-Y113 PolarHBondContact N-O 3.31Å; V103-Y113 PolarHBondContact O-N 3.32Å; V103-E115 HydrophobicContact CG2-CB 3.65Å
104	R	92.6	Very high	93.1	Very high	83 Å²	83	61.3 Å²	61.3	31%	0.313	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.5	174.7	-174.2	179.7	-57.7	-78.1	-3	110.1	P109 H112 E249	R104-P109 WeakPolarHBondContact CD-O 3.49Å; R104-P109 PolarHBondContact NH1-O 2.97Å; R104-H112 PolarHBondContact NH1-CE1 2.97Å; R104-H112 PolarHBondContact NH1-NE2 2.02Å; R104-H112 PolarHBondContact NH2-NE2 2.9Å; R104-E249 IonicContact CZ-OE1 3.34Å; R104-E249 IonicContact CZ-OE2 2.8Å; R104-E249 VanDerWaalsContact NH1-CD 3.33Å; R104-E249 IonicContact NH1-OE1 2.65Å; R104-E249 PolarHBondContact NH1-OE1 2.03Å; R104-E249 IonicContact NH1-OE2 3.45Å; R104-E249 IonicContact NH2-OE1 3.71Å; R104-E249 PolarHBondContact NH2-OE1 2.93Å; R104-E249 IonicContact NH2-OE2 3.55Å; R104-E249 PolarHBondContact NH2-OE2 3.41Å
105	S	93	Very high	93.1	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.007	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-66.5	135.5	176.2	162	0	0	0	0	111.8	M107 R108 P109 Y111 E141	S105-M107 PolarHBondContact OG-N 2.54Å; S105-R108 WeakPolarHBondContact CB-O 3.35Å; S105-R108 WeakPolarHBondContact OG-CA 3.35Å; S105-R108 PolarHBondContact OG-N 3.07Å; S105-R108 PolarHBondContact OG-O 3.32Å; S105-P109 WeakPolarHBondContact O-CA 3.13Å; S105-Y111 WeakPolarHBondContact CB-O 3.3Å; S105-Y111 PolarHBondContact N-O 3.06Å; S105-E141 WeakPolarHBondContact CA-OE2 3.28Å; S105-E141 WeakPolarHBondContact CB-OE1 3.28Å; S105-E141 PolarHBondContact OG-OE1 3.45Å; S105-E141 PolarHBondContact OG-OE2 2.9Å
106	L	93.1	Very high	93	Very high	156 Å²	156	69 Å²	69	82%	0.817	35%	0.347	S	S	*	.	S	Bend	trans	-80.5	-34.2	175.9	-64.9	178.4	0	0	0	111.9	E141	L106-E141 PolarHBondContact N-OE1 2.76Å; L106-E141 PolarHBondContact N-OE2 3.17Å
107	M	91.8	Very high	93.1	Very high	121 Å²	121	68.3 Å²	68.3	60%	0.596	35%	0.349	S	S	*	.	S	Bend	trans	-82.8	-28.3	179.9	-62.2	-163.6	-89.1	0	0	112.9	S105 E141 V145	S105-M107 PolarHBondContact OG-N 2.54Å; M107-E141 VanDerWaalsContact CB-OE1 3.22Å; M107-E141 WeakPolarHBondContact CB-OE1 3.29Å; M107-E141 HydrophobicContact CE-CB 4.44Å; M107-E141 HydrophobicContact CE-CG 3.33Å; M107-E141 HydrophobicContact CG-CG 4.29Å; M107-E141 WeakPolarHBondContact CG-OE1 3.12Å; M107-E141 PolarHBondContact N-OE1 3.46Å; M107-V145 HydrophobicContact CB-CG2 3.96Å; M107-V145 HydrophobicContact CE-CB 4.36Å; M107-V145 HydrophobicContact CE-CG2 3.42Å; M107-V145 VanDerWaalsContact CE-CG2 3.42Å; M107-V145 HydrophobicContact SD-CG2 3.99Å
108	R	90.9	Very high	93.1	Very high	72 Å²	72	67.9 Å²	67.9	27%	0.272	35%	0.351	S	S	.	.	S	Bend	trans	-134	80.6	174	-59.4	-168.5	173.8	153.5	9.1	110.7	S105 R110 Y111 V144 V145	S105-R108 WeakPolarHBondContact CB-O 3.35Å; S105-R108 WeakPolarHBondContact OG-CA 3.35Å; S105-R108 PolarHBondContact OG-N 3.07Å; S105-R108 PolarHBondContact OG-O 3.32Å; R108-R110 PolarHBondContact O-N 3.45Å; R108-Y111 HydrophobicContact CB-CD2 3.72Å; R108-Y111 HydrophobicContact CB-CE2 4.42Å; R108-Y111 PolarHBondContact O-N 3.26Å; R108-V144 HydrophobicContact CB-CG1 4.03Å; R108-V144 HydrophobicContact CG-CG1 4.44Å; R108-V144 PolarHBondContact NH1-O 2.95Å; R108-V145 PolarHBondContact NH1-O 3.29Å; R108-V145 PolarHBondContact NH2-O 3.48Å
109	P	91.7	Very high	93.1	Very high	35 Å²	35	67.2 Å²	67.2	23%	0.227	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.4	-171	-23.4	34.3	0	0	0	117.2	R104 S105 Y111 Q246 T247	R104-P109 WeakPolarHBondContact CD-O 3.49Å; R104-P109 PolarHBondContact NH1-O 2.97Å; S105-P109 WeakPolarHBondContact O-CA 3.13Å; P109-Y111 VanDerWaalsContact C-N 3.29Å; P109-Q246 HydrophobicContact CB-CB 4.3Å; P109-Q246 HydrophobicContact CG-CB 4.33Å; P109-T247 HydrophobicContact CB-CG2 3.99Å
110	R	89.2	Confident	93.2	Very high	123 Å²	123	73.6 Å²	73.6	46%	0.464	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-14	170.3	-62.9	-164.6	177.2	-172.9	-0.2	114.1	R108 T247	R108-R110 PolarHBondContact O-N 3.45Å; R110-T247 WeakPolarHBondContact CG-O 3.47Å
111	Y	91	Very high	93.2	Very high	81 Å²	81	69.5 Å²	69.5	32%	0.318	36%	0.36	S	S	.	.			trans	-117.9	159	-175	-62.1	-88.5	0	0	0	110.7	S105 R108 P109 V144 L184	S105-Y111 WeakPolarHBondContact CB-O 3.3Å; S105-Y111 PolarHBondContact N-O 3.06Å; R108-Y111 HydrophobicContact CB-CD2 3.72Å; R108-Y111 HydrophobicContact CB-CE2 4.42Å; R108-Y111 PolarHBondContact O-N 3.26Å; P109-Y111 VanDerWaalsContact C-N 3.29Å; Y111-V144 HydrophobicContact CG-CG1 4.19Å; Y111-L184 HydrophobicContact CD1-CD1 4.27Å; Y111-L184 HydrophobicContact CE1-CD1 3.7Å
112	H	92.1	Very high	93.3	Very high	13 Å²	13	66 Å²	66	6%	0.06	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	161	176.6	-56	78	0	0	0	109.6	R102 V103 R104 E249	R102-H112 HydrophobicContact CG-CB 3.96Å; R102-H112 PolarHBondContact NH1-CD2 3.14Å; R102-H112 PolarHBondContact NH1-CE1 2.78Å; R102-H112 VanDerWaalsContact NH1-CG 3.32Å; R102-H112 PolarHBondContact NH1-ND1 3.11Å; R102-H112 PolarHBondContact NH1-NE2 3.38Å; R102-H112 PolarHBondContact NH2-CE1 3.46Å; R102-H112 PolarHBondContact NH2-ND1 2.89Å; V103-H112 CarbonylContact O-C 3.46Å; V103-H112 WeakPolarHBondContact O-CA 3.18Å; V103-H112 WeakPolarHBondContact O-CB 3.42Å; R104-H112 PolarHBondContact NH1-CE1 2.97Å; R104-H112 PolarHBondContact NH1-NE2 2.02Å; R104-H112 PolarHBondContact NH2-NE2 2.9Å; H112-E249 IonicContact CE1-OE1 2.9Å; H112-E249 IonicContact NE2-OE1 2.72Å
113	Y	93.8	Very high	93.4	Very high	33 Å²	33	64.7 Å²	64.7	13%	0.129	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	164.9	170.1	65.9	-89	0	0	0	109.3	V103 E115 R138 E141 V144	V103-Y113 HydrophobicContact CB-CD2 4.39Å; V103-Y113 HydrophobicContact CB-CE1 4.05Å; V103-Y113 HydrophobicContact CB-CE2 3.91Å; V103-Y113 HydrophobicContact CG1-CE1 3.87Å; V103-Y113 HydrophobicContact CG1-CE2 4.24Å; V103-Y113 WeakPolarHBondContact CG1-OH 2.99Å; V103-Y113 HydrophobicContact CG2-CE2 4.48Å; V103-Y113 PolarHBondContact N-O 3.31Å; V103-Y113 PolarHBondContact O-N 3.32Å; Y113-E115 HydrophobicContact CE2-CB 4.18Å; Y113-R138 CarbonylContact C-O 3.6Å; Y113-R138 WeakPolarHBondContact CA-O 3.32Å; Y113-R138 WeakPolarHBondContact CB-O 3.25Å; Y113-E141 HydrophobicContact CE1-CB 4.36Å; Y113-E141 WeakPolarHBondContact CE1-OE2 3.33Å; Y113-V144 HydrophobicContact CD1-CG2 4.03Å; Y113-V144 HydrophobicContact CG-CG2 4.32Å
114	C	95.3	Very high	93.4	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.02	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	99.3	-175.7	-52.9	0	0	0	0	107.8	C99 N101 G116 G117 C118 R138 S139	C99-C114 HydrophobicContact CB-CB 3.42Å; C99-C114 VanDerWaalsContact CB-CB 3.42Å; C99-C114 WeakPolarHBondContact CB-SG 3.39Å; C99-C114 PolarHBondContact SG-SG 3.2Å; N101-C114 WeakPolarHBondContact O-CA 3.44Å; C114-G116 PolarHBondContact O-N 3.12Å; C114-G117 WeakPolarHBondContact CB-O 3.17Å; C114-G117 PolarHBondContact O-N 3.35Å; C114-C118 HydrophobicContact CB-CB 4.4Å; C114-C118 PolarHBondContact SG-SG 3.45Å; C114-R138 PolarHBondContact N-O 2.91Å; C114-S139 CarbonylContact O-C 3.53Å; C114-S139 WeakPolarHBondContact O-CA 3.23Å
115	E	94	Very high	93.4	Very high	110 Å²	110	61.8 Å²	61.8	51%	0.514	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	123.6	179.2	-177.9	172.5	-132.3	0	0	109.3	N101 V103 Y113	N101-E115 HydrophobicContact CB-CB 4.39Å; N101-E115 PolarHBondContact ND2-OE2 3.01Å; N101-E115 PolarHBondContact O-N 3.27Å; V103-E115 HydrophobicContact CG2-CB 3.65Å; Y113-E115 HydrophobicContact CE2-CB 4.18Å
116	G	92.1	Very high	93.2	Very high	88 Å²	88	63.8 Å²	63.8	91%	0.907	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-2.3	-171.4	0	0	0	0	0	114.8	C114	C114-G116 PolarHBondContact O-N 3.12Å
117	G	94.5	Very high	93.2	Very high	22 Å²	22	56.9 Å²	56.9	23%	0.227	32%	0.317	C	S	.	.			trans	104.3	171.6	179.8	0	0	0	0	0	113.6	C114	C114-G117 WeakPolarHBondContact CB-O 3.17Å; C114-G117 PolarHBondContact O-N 3.35Å
118	C	95.7	Very high	93.3	Very high	23 Å²	23	57.1 Å²	57.1	16%	0.155	32%	0.316	C	S	.	.			trans	-94.3	154	-179.4	-49.8	0	0	0	0	111.1	R97 C114 C137	R97-C118 HydrophobicContact CB-CB 3.79Å; R97-C118 HydrophobicContact CG-CB 4.42Å; C114-C118 HydrophobicContact CB-CB 4.4Å; C114-C118 PolarHBondContact SG-SG 3.45Å; C118-C137 HydrophobicContact CB-CB 3.84Å; C118-C137 WeakPolarHBondContact CB-SG 2.95Å; C118-C137 PolarHBondContact N-SG 2.85Å; C118-C137 WeakPolarHBondContact SG-CA 2.94Å; C118-C137 WeakPolarHBondContact SG-CB 3.38Å; C118-C137 CovalentContact SG-SG 2.03Å; C118-C137 PolarHBondContact SG-SG 2.78Å
119	N	96.1	Very high	93.5	Very high	50 Å²	50	54 Å²	54	27%	0.267	31%	0.305	S	S	.	.			trans	-66.4	142	176.3	-62.5	12.9	0	0	0	109.4	R97 N98 C99 D100 V121	R97-N119 PolarHBondContact NH1-O 2.96Å; N98-N119 PolarHBondContact O-N 3.21Å; C99-N119 WeakPolarHBondContact CA-OD1 3.45Å; D100-N119 PolarHBondContact N-OD1 3.49Å; D100-N119 PolarHBondContact OD1-ND2 3Å; D100-N119 PolarHBondContact OD1-OD1 3.17Å; N119-V121 WeakPolarHBondContact CB-O 3.29Å; N119-V121 PolarHBondContact O-N 3.19Å
120	N	94	Very high	93.7	Very high	158 Å²	158	54.2 Å²	54.2	85%	0.845	31%	0.307	S	S	*	.	S	Bend	trans	-58.9	-35.8	179.5	-72.8	-25.6	0	0	0	111.7
121	V	94.9	Very high	93.9	Very high	61 Å²	61	54 Å²	54	37%	0.37	31%	0.311	S	S	.	.	S	Bend	trans	-113.9	132.3	177.9	179.6	0	0	0	0	108.5	N119 I123 E128	N119-V121 WeakPolarHBondContact CB-O 3.29Å; N119-V121 PolarHBondContact O-N 3.19Å; V121-I123 HydrophobicContact CG1-CD1 4.34Å; V121-I123 HydrophobicContact CG1-CG1 3.9Å; V121-E128 HydrophobicContact CG1-CB 4.25Å; V121-E128 HydrophobicContact CG1-CG 3.69Å
122	S	96.4	Very high	94	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	32%	0.316	C	S	.	.			trans	-111.7	130.8	171.4	-63.7	0	0	0	0	109.7	R97 N98 I129	R97-S122 WeakPolarHBondContact CA-OG 3.41Å; N98-S122 PolarHBondContact N-OG 2.68Å; N98-S122 WeakPolarHBondContact OD1-CA 3.3Å; S122-I129 PolarHBondContact O-N 3.33Å
123	I	95.1	Very high	94.1	Very high	89 Å²	89	55 Å²	55	46%	0.456	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133	-172.8	-57.7	-179.8	0	0	0	109.4	N98 V121 F127	N98-I123 PolarHBondContact OD1-N 3.49Å; N98-I123 PolarHBondContact OD1-O 3.19Å; N98-I123 VanDerWaalsContact OD1-O 3.1Å; V121-I123 HydrophobicContact CG1-CD1 4.34Å; V121-I123 HydrophobicContact CG1-CG1 3.9Å; I123-F127 VanDerWaalsContact CA-O 3.29Å; I123-F127 WeakPolarHBondContact CA-O 3.41Å
124	C	95.1	Very high	94.2	Very high	14 Å²	14	54 Å²	54	10%	0.095	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123	167.4	175.5	0	0	0	0	108.8	G126 F127 I129 C180 S193	C124-G126 PolarHBondContact O-N 3.45Å; C124-G126 VanDerWaalsContact O-N 3.14Å; C124-F127 PolarHBondContact N-O 3.1Å; C124-F127 WeakPolarHBondContact O-CB 3.22Å; C124-F127 PolarHBondContact O-N 3.35Å; C124-I129 HydrophobicContact CB-CD1 4.06Å; C124-I129 HydrophobicContact CB-CG1 4.36Å; C124-C180 HydrophobicContact CB-CB 3.74Å; C124-C180 WeakPolarHBondContact CB-SG 3.14Å; C124-C180 WeakPolarHBondContact SG-CA 3.42Å; C124-C180 WeakPolarHBondContact SG-CB 3.42Å; C124-C180 CovalentContact SG-SG 2.03Å; C124-C180 PolarHBondContact SG-SG 3.04Å; C124-S193 PolarHBondContact O-OG 3.32Å; C124-S193 PolarHBondContact SG-OG 3.39Å
125	N	91.1	Very high	94	Very high	43 Å²	43	55.5 Å²	55.5	23%	0.23	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	41	-175.3	-156.7	9	0	0	0	113.4	F127 R163 T176 A177 D178 S193 V195	N125-F127 PolarHBondContact O-N 3.35Å; N125-R163 PolarHBondContact O-NE 2.86Å; N125-R163 PolarHBondContact O-NH2 2.93Å; N125-T176 PolarHBondContact ND2-O 3.45Å; N125-A177 VanDerWaalsContact ND2-C 3.33Å; N125-A177 WeakPolarHBondContact ND2-CA 3.21Å; N125-D178 HydrophobicContact CB-CB 3.77Å; N125-D178 PolarHBondContact ND2-N 2.81Å; N125-S193 WeakPolarHBondContact CB-OG 3.12Å; N125-V195 HydrophobicContact CB-CG2 4.42Å; N125-V195 WeakPolarHBondContact O-CG2 3.47Å
126	G	89.5	Confident	93.9	Very high	42 Å²	42	57.2 Å²	57.2	43%	0.433	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	6.5	-176.4	0	0	0	0	0	116.1	C124 R163	C124-G126 PolarHBondContact O-N 3.45Å; C124-G126 VanDerWaalsContact O-N 3.14Å; G126-R163 WeakPolarHBondContact O-CD 3.47Å; G126-R163 PolarHBondContact O-NE 2.74Å; G126-R163 VanDerWaalsContact O-NE 3.07Å
127	F	92.9	Very high	93.9	Very high	12 Å²	12	55.6 Å²	55.6	5%	0.053	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.2	170.7	-164.5	-70.2	0	0	0	110.3	V54 I123 C124 N125 I129 F161 V162 R163	V54-F127 HydrophobicContact CG1-CZ 4.33Å; I123-F127 VanDerWaalsContact CA-O 3.29Å; I123-F127 WeakPolarHBondContact CA-O 3.41Å; C124-F127 PolarHBondContact N-O 3.1Å; C124-F127 WeakPolarHBondContact O-CB 3.22Å; C124-F127 PolarHBondContact O-N 3.35Å; N125-F127 PolarHBondContact O-N 3.35Å; F127-I129 HydrophobicContact CD1-CD1 4.13Å; F127-I129 PolarHBondContact O-N 2.78Å; F127-F161 HydrophobicContact CB-CB 4.35Å; F127-F161 HydrophobicContact CD1-CB 3.74Å; F127-F161 AromaticContact CD1-CD1 3.93Å; F127-F161 HydrophobicContact CD1-CD1 3.93Å; F127-F161 HydrophobicContact CD1-CG 4.03Å; F127-F161 HydrophobicContact CD2-CB 3.68Å; F127-F161 HydrophobicContact CE1-CB 3.92Å; F127-F161 AromaticContact CE1-CD1 3.58Å; F127-F161 HydrophobicContact CE1-CD1 3.58Å; F127-F161 HydrophobicContact CE1-CG 4.09Å; F127-F161 HydrophobicContact CE2-CB 3.84Å; F127-F161 HydrophobicContact CG-CB 3.65Å; F127-F161 HydrophobicContact CG-CG 4.41Å; F127-F161 HydrophobicContact CZ-CB 3.98Å; F127-F161 HydrophobicContact CZ-CD1 4.04Å; F127-F161 HydrophobicContact CZ-CG 4.48Å; F127-V162 WeakPolarHBondContact CE2-O 3.21Å; F127-R163 HydrophobicContact CD2-CB 3.65Å; F127-R163 HydrophobicContact CD2-CG 3.92Å; F127-R163 HydrophobicContact CE2-CB 3.98Å
128	E	94.3	Very high	93.9	Very high	125 Å²	125	57.2 Å²	57.2	58%	0.584	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.7	171.5	170.6	168.2	-175.7	0	0	110.9	V121 P130	V121-E128 HydrophobicContact CG1-CB 4.25Å; V121-E128 HydrophobicContact CG1-CG 3.69Å; E128-P130 WeakPolarHBondContact O-CD 3.45Å
129	I	95.7	Very high	93.7	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.031	31%	0.31	C	S	.	.			trans	-76.1	122.8	-174.6	-56.7	-59.5	0	0	0	109.9	I95 S122 C124 F127 L134 F161	I95-I129 HydrophobicContact CD1-CD1 4.2Å; I95-I129 HydrophobicContact CD1-CG1 4.44Å; I95-I129 HydrophobicContact CD1-CG2 4.02Å; S122-I129 PolarHBondContact O-N 3.33Å; C124-I129 HydrophobicContact CB-CD1 4.06Å; C124-I129 HydrophobicContact CB-CG1 4.36Å; F127-I129 HydrophobicContact CD1-CD1 4.13Å; F127-I129 PolarHBondContact O-N 2.78Å; I129-L134 HydrophobicContact CB-CD2 3.91Å; I129-L134 HydrophobicContact CB-CG 4.42Å; I129-L134 HydrophobicContact CG2-CD2 3.56Å; I129-L134 HydrophobicContact CG2-CG 3.94Å; I129-F161 HydrophobicContact CD1-CD1 4.1Å; I129-F161 HydrophobicContact CD1-CD2 3.71Å; I129-F161 HydrophobicContact CD1-CE1 4.13Å; I129-F161 HydrophobicContact CD1-CE2 3.77Å; I129-F161 HydrophobicContact CD1-CG 3.9Å; I129-F161 HydrophobicContact CD1-CZ 3.96Å; I129-F161 HydrophobicContact CG2-CE1 4.41Å; I129-F161 HydrophobicContact CG2-CZ 4.14Å
130	P	95	Very high	93.6	Very high	41 Å²	41	58.3 Å²	58.3	27%	0.266	31%	0.311	S	S	.	.			trans	-62.9	141.6	178.1	-21.9	32.8	0	0	0	112.2	V54 E128 K132 Y133	V54-P130 HydrophobicContact CG1-CG 4.4Å; E128-P130 WeakPolarHBondContact O-CD 3.45Å; P130-K132 HydrophobicContact CB-CG 4.43Å; P130-K132 PolarHBondContact O-N 2.04Å; P130-Y133 HydrophobicContact CB-CD2 4.16Å; P130-Y133 HydrophobicContact CG-CD2 4.25Å; P130-Y133 PolarHBondContact O-N 2.82Å
131	E	93.8	Very high	93.6	Very high	118 Å²	118	52.2 Å²	52.2	55%	0.551	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-45.7	-39.8	-176.9	-173	57.1	-143.3	0	0	114.4	R97 Y133 L134	R97-E131 IonicContact CZ-OE1 3.53Å; R97-E131 IonicContact CZ-OE2 3.83Å; R97-E131 IonicContact NH2-OE1 2.69Å; R97-E131 PolarHBondContact NH2-OE1 3.06Å; R97-E131 IonicContact NH2-OE2 2.61Å; R97-E131 PolarHBondContact NH2-OE2 2.98Å; E131-Y133 PolarHBondContact O-N 2.82Å; E131-L134 PolarHBondContact O-N 3.47Å
132	K	92.7	Very high	93.4	Very high	100 Å²	100	57.3 Å²	57.3	44%	0.435	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-64.7	-12.4	-179.3	68.4	179.4	174.8	-174.9	0	115.1	E42 K92 P130	E42-K132 WeakPolarHBondContact OE1-CE 3.37Å; E42-K132 IonicContact OE1-NZ 2.94Å; E42-K132 PolarHBondContact OE1-NZ 2.89Å; E42-K132 IonicContact OE2-NZ 3.34Å; E42-K132 PolarHBondContact OE2-NZ 3.46Å; K92-K132 PolarHBondContact NZ-O 3.39Å; P130-K132 HydrophobicContact CB-CG 4.43Å; P130-K132 PolarHBondContact O-N 2.04Å
133	Y	94.6	Very high	93.1	Very high	15 Å²	15	59.5 Å²	59.5	6%	0.059	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-107.1	0.6	176	-65.5	-70.1	0	0	0	112.9	E42 R52 V54 L94 I95 P130 E131 V159 F161	E42-Y133 PolarHBondContact OE2-OH 2.94Å; R52-Y133 WeakPolarHBondContact CG-OH 3.18Å; V54-Y133 HydrophobicContact CG2-CE2 3.58Å; L94-Y133 CarbonylContact C-O 3.53Å; L94-Y133 VanDerWaalsContact CA-O 3.3Å; L94-Y133 WeakPolarHBondContact CA-O 3.22Å; I95-Y133 PolarHBondContact N-O 2.65Å; P130-Y133 HydrophobicContact CB-CD2 4.16Å; P130-Y133 HydrophobicContact CG-CD2 4.25Å; P130-Y133 PolarHBondContact O-N 2.82Å; E131-Y133 PolarHBondContact O-N 2.82Å; Y133-V159 HydrophobicContact CD1-CG1 4.07Å; Y133-V159 HydrophobicContact CD1-CG2 4.13Å; Y133-V159 HydrophobicContact CE1-CG1 3.87Å; Y133-V159 HydrophobicContact CE1-CG2 4Å; Y133-F161 AromaticContact CD2-CE1 3.8Å; Y133-F161 HydrophobicContact CD2-CE1 3.8Å; Y133-F161 HydrophobicContact CD2-CZ 4.05Å; Y133-F161 HydrophobicContact CE2-CE1 4.21Å; Y133-F161 HydrophobicContact CG-CE1 4.21Å; Y133-F161 AromaticContact CG-CZ 3.97Å; Y133-F161 HydrophobicContact CG-CZ 3.97Å
134	L	95.2	Very high	92.7	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.058	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-93.8	144.5	178.2	-65.5	175.3	0	0	0	111.2	I95 R97 I129 E131	I95-L134 HydrophobicContact CB-CD2 4.39Å; I95-L134 WeakPolarHBondContact O-CA 3.34Å; R97-L134 HydrophobicContact CG-CB 4.23Å; R97-L134 HydrophobicContact CG-CD1 4.39Å; R97-L134 HydrophobicContact CG-CD2 4.36Å; I129-L134 HydrophobicContact CB-CD2 3.91Å; I129-L134 HydrophobicContact CB-CG 4.42Å; I129-L134 HydrophobicContact CG2-CD2 3.56Å; I129-L134 HydrophobicContact CG2-CG 3.94Å; E131-L134 PolarHBondContact O-N 3.47Å
135	Q	92.1	Very high	92.2	Very high	35 Å²	35	57.4 Å²	57.4	16%	0.164	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-66.8	155.3	165.5	-67.1	-179	31.2	0	0	109.7	L94 I95 R97 C137	L94-Q135 HydrophobicContact CB-CB 4.49Å; L94-Q135 HydrophobicContact CB-CG 3.52Å; L94-Q135 PolarHBondContact O-NE2 2.85Å; L94-Q135 VanDerWaalsContact O-NE2 3.1Å; I95-Q135 PolarHBondContact O-N 2.98Å; R97-Q135 PolarHBondContact NE-O 2.04Å; Q135-C137 PolarHBondContact O-N 3.31Å
136	K	91.7	Very high	91.7	Very high	146 Å²	146	58.8 Å²	58.8	64%	0.635	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-57.2	141.7	166.1	-71.7	-177.5	177.3	-177	0	110.4	R138 E149	K136-R138 PolarHBondContact O-N 3.22Å; K136-E149 PolarHBondContact N-OE1 3.43Å
137	C	92.3	Very high	90.1	Very high	55 Å²	55	65 Å²	65	37%	0.372	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-62.9	129.3	175.4	-176.3	0	0	0	0	110.4	C118 Q135	C118-C137 HydrophobicContact CB-CB 3.84Å; C118-C137 WeakPolarHBondContact CB-SG 2.95Å; C118-C137 PolarHBondContact N-SG 2.85Å; C118-C137 WeakPolarHBondContact SG-CA 2.94Å; C118-C137 WeakPolarHBondContact SG-CB 3.38Å; C118-C137 CovalentContact SG-SG 2.03Å; C118-C137 PolarHBondContact SG-SG 2.78Å; Q135-C137 PolarHBondContact O-N 3.31Å
138	R	93	Very high	88.2	Confident	56 Å²	56	69.3 Å²	69.3	21%	0.211	35%	0.353	C	S	.	.			trans	-105.1	110	166.8	-60.1	-179.6	-170.2	127.4	12	106.3	Y113 C114 K136 D143 V144	Y113-R138 CarbonylContact C-O 3.6Å; Y113-R138 WeakPolarHBondContact CA-O 3.32Å; Y113-R138 WeakPolarHBondContact CB-O 3.25Å; C114-R138 PolarHBondContact N-O 2.91Å; K136-R138 PolarHBondContact O-N 3.22Å; R138-D143 HydrophobicContact CB-CB 3.89Å; R138-D143 HydrophobicContact CG-CB 4.15Å; R138-V144 HydrophobicContact CB-CG2 4.29Å
139	S	93.2	Very high	86.4	Confident	56 Å²	56	67 Å²	67	39%	0.392	34%	0.342	S	S	.	.			trans	-95.4	-14.9	-177.8	64.2	0	0	0	0	113.2	C114 D143	C114-S139 CarbonylContact O-C 3.53Å; C114-S139 WeakPolarHBondContact O-CA 3.23Å; S139-D143 WeakPolarHBondContact CA-OD2 3.45Å; S139-D143 PolarHBondContact N-OD2 2.78Å; S139-D143 PolarHBondContact OG-OD2 2.92Å
140	S	93.7	Very high	84.2	Confident	39 Å²	39	72.8 Å²	72.8	27%	0.273	38%	0.377	S	S	.	.	S	Bend	trans	-150.5	167.2	-177	69.9	0	0	0	0	112.6	K142 D143 V144	S140-K142 PolarHBondContact O-N 3.45Å; S140-K142 PolarHBondContact OG-N 2.97Å; S140-D143 PolarHBondContact N-OD2 2.98Å; S140-D143 WeakPolarHBondContact O-CB 3.33Å; S140-D143 PolarHBondContact O-N 2.84Å; S140-D143 PolarHBondContact OG-OD2 3.4Å; S140-V144 PolarHBondContact O-N 2.83Å
141	E	93	Very high	82.4	Confident	30 Å²	30	77.5 Å²	77.5	14%	0.14	39%	0.393	C	S	.	.	H	α-helix	trans	-53.3	-34.6	171.4	-170	70.6	-147.2	0	0	112.5	S105 L106 M107 Y113 D143 V144 V145	S105-E141 WeakPolarHBondContact CA-OE2 3.28Å; S105-E141 WeakPolarHBondContact CB-OE1 3.28Å; S105-E141 PolarHBondContact OG-OE1 3.45Å; S105-E141 PolarHBondContact OG-OE2 2.9Å; L106-E141 PolarHBondContact N-OE1 2.76Å; L106-E141 PolarHBondContact N-OE2 3.17Å; M107-E141 VanDerWaalsContact CB-OE1 3.22Å; M107-E141 WeakPolarHBondContact CB-OE1 3.29Å; M107-E141 HydrophobicContact CE-CB 4.44Å; M107-E141 HydrophobicContact CE-CG 3.33Å; M107-E141 HydrophobicContact CG-CG 4.29Å; M107-E141 WeakPolarHBondContact CG-OE1 3.12Å; M107-E141 PolarHBondContact N-OE1 3.46Å; Y113-E141 HydrophobicContact CE1-CB 4.36Å; Y113-E141 WeakPolarHBondContact CE1-OE2 3.33Å; E141-D143 VanDerWaalsContact C-N 3.34Å; E141-D143 PolarHBondContact O-N 3.48Å; E141-V144 PolarHBondContact O-N 3.34Å; E141-V145 PolarHBondContact O-N 2.92Å
142	K	91.4	Very high	80.6	Confident	168 Å²	168	79.9 Å²	79.9	73%	0.73	40%	0.402	S	S	*	.	H	α-helix	trans	-64.1	-39	177.4	-68.1	-179.2	-179.7	176.1	0	111.8	S140 V144 V145 S146	S140-K142 PolarHBondContact O-N 3.45Å; S140-K142 PolarHBondContact OG-N 2.97Å; K142-V144 VanDerWaalsContact C-N 3.31Å; K142-V144 PolarHBondContact O-N 3.44Å; K142-V145 PolarHBondContact O-N 2.9Å; K142-S146 WeakPolarHBondContact O-CB 3.21Å; K142-S146 PolarHBondContact O-N 2.03Å
143	D	89.8	Confident	79.2	Confident	49 Å²	49	84 Å²	84	26%	0.262	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-36.9	179.9	-57.8	-31.6	0	0	0	111.1	R138 S139 S140 E141 V145 S146	R138-D143 HydrophobicContact CB-CB 3.89Å; R138-D143 HydrophobicContact CG-CB 4.15Å; S139-D143 WeakPolarHBondContact CA-OD2 3.45Å; S139-D143 PolarHBondContact N-OD2 2.78Å; S139-D143 PolarHBondContact OG-OD2 2.92Å; S140-D143 PolarHBondContact N-OD2 2.98Å; S140-D143 WeakPolarHBondContact O-CB 3.33Å; S140-D143 PolarHBondContact O-N 2.84Å; S140-D143 PolarHBondContact OG-OD2 3.4Å; E141-D143 VanDerWaalsContact C-N 3.34Å; E141-D143 PolarHBondContact O-N 3.48Å; D143-V145 VanDerWaalsContact C-N 3.35Å; D143-S146 PolarHBondContact O-N 2.82Å; D143-S146 PolarHBondContact O-OG 2.83Å
144	V	87.1	Confident	78	Confident	5 Å²	5	83.7 Å²	83.7	3%	0.03	42%	0.416	C	S	.	.	H	α-helix	trans	-64.4	-40.1	175.1	-178	0	0	0	0	111.5	R108 Y111 Y113 R138 S140 E141 K142	R108-V144 HydrophobicContact CB-CG1 4.03Å; R108-V144 HydrophobicContact CG-CG1 4.44Å; R108-V144 PolarHBondContact NH1-O 2.95Å; Y111-V144 HydrophobicContact CG-CG1 4.19Å; Y113-V144 HydrophobicContact CD1-CG2 4.03Å; Y113-V144 HydrophobicContact CG-CG2 4.32Å; R138-V144 HydrophobicContact CB-CG2 4.29Å; S140-V144 PolarHBondContact O-N 2.83Å; E141-V144 PolarHBondContact O-N 3.34Å; K142-V144 VanDerWaalsContact C-N 3.31Å; K142-V144 PolarHBondContact O-N 3.44Å
145	V	84.3	Confident	77.5	Confident	53 Å²	53	89 Å²	89	32%	0.321	44%	0.444	S	S	.	.	H	α-helix	trans	-76.5	-34.1	-179.7	175.4	0	0	0	0	112	M107 R108 E141 K142 D143 K147	M107-V145 HydrophobicContact CB-CG2 3.96Å; M107-V145 HydrophobicContact CE-CB 4.36Å; M107-V145 HydrophobicContact CE-CG2 3.42Å; M107-V145 VanDerWaalsContact CE-CG2 3.42Å; M107-V145 HydrophobicContact SD-CG2 3.99Å; R108-V145 PolarHBondContact NH1-O 3.29Å; R108-V145 PolarHBondContact NH2-O 3.48Å; E141-V145 PolarHBondContact O-N 2.92Å; K142-V145 PolarHBondContact O-N 2.9Å; D143-V145 VanDerWaalsContact C-N 3.35Å; V145-K147 PolarHBondContact O-N 3.32Å
146	S	79.5	Confident	77.6	Confident	73 Å²	73	88.5 Å²	88.5	51%	0.51	44%	0.443	S	S	.	.	S	Bend	trans	-57.7	102.6	176.2	78.8	0	0	0	0	110	K142 D143 T148	K142-S146 WeakPolarHBondContact O-CB 3.21Å; K142-S146 PolarHBondContact O-N 2.03Å; D143-S146 PolarHBondContact O-N 2.82Å; D143-S146 PolarHBondContact O-OG 2.83Å; S146-T148 PolarHBondContact O-N 2.88Å; S146-T148 VanDerWaalsContact O-N 3.17Å
147	K	57.1	Low	77.8	Confident	172 Å²	172	81.6 Å²	81.6	75%	0.748	41%	0.413	S	S	*	.			trans	-76	101.1	178.5	-76.6	-179.6	176.5	174.6	0	108.2	V145	V145-K147 PolarHBondContact O-N 3.32Å
148	T	53.6	Low	78.1	Confident	103 Å²	103	79 Å²	79	63%	0.632	40%	0.395	S	S	*	.			trans	-163.8	83.3	153.6	-3.7	0	0	0	0	113.6	S146	S146-T148 PolarHBondContact O-N 2.88Å; S146-T148 VanDerWaalsContact O-N 3.17Å
149	E	54.7	Low	78.3	Confident	77 Å²	77	76.3 Å²	76.3	36%	0.36	39%	0.385	S	S	.	.			trans	-118.8	116.4	138.7	-81	-173.8	170.4	0	0	108.7	L94 K136 K151	L94-E149 WeakPolarHBondContact CD1-OE2 3.5Å; K136-E149 PolarHBondContact N-OE1 3.43Å; E149-K151 PolarHBondContact O-N 2.8Å
150	V	51.3	Low	78.6	Confident	126 Å²	126	73.6 Å²	73.6	76%	0.764	37%	0.366	S	S	*	.			trans	-68.2	118	175.7	173.2	0	0	0	0	108	K152	V150-K152 PolarHBondContact O-N 3.23Å
151	K	55.6	Low	78.8	Confident	140 Å²	140	71.8 Å²	71.8	61%	0.609	35%	0.353	S	S	*	.			trans	-71.8	84.4	-177.9	-56.1	-177.9	-177.4	-172.9	0	110.5	Q91 E149 R153	Q91-K151 HydrophobicContact CG-CB 4.14Å; Q91-K151 HydrophobicContact CG-CD 3.88Å; Q91-K151 HydrophobicContact CG-CG 3.81Å; E149-K151 PolarHBondContact O-N 2.8Å; K151-R153 PolarHBondContact O-N 3.17Å
152	K	57	Low	78.9	Confident	168 Å²	168	70.5 Å²	70.5	73%	0.73	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-72.2	122.5	155.6	-77	-171.1	179.1	-179.5	0	107.3	K92 V150 G154	K92-K152 PolarHBondContact N-O 2.62Å; V150-K152 PolarHBondContact O-N 3.23Å; K152-G154 PolarHBondContact O-N 3.11Å; K152-G154 VanDerWaalsContact O-N 3.16Å
153	R	63.5	Low	79	Confident	187 Å²	187	64.2 Å²	64.2	71%	0.706	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-54.1	121.5	171.6	-176.5	176.8	-179.9	178.4	-0.4	108.1	K151	K151-R153 PolarHBondContact O-N 3.17Å
154	G	68.1	Low	79	Confident	9 Å²	9	63 Å²	63	9%	0.093	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-69	141	175.6	0	0	0	0	0	110.9	K152 I156	K152-G154 PolarHBondContact O-N 3.11Å; K152-G154 VanDerWaalsContact O-N 3.16Å; G154-I156 PolarHBondContact O-N 3.46Å
155	N	85.6	Confident	78.9	Confident	122 Å²	122	66.7 Å²	66.7	65%	0.652	33%	0.331	S	S	*	.	S	Bend	trans	-89.9	16.8	170.9	-75.6	-9.8	0	0	0	112.6	R50	R50-N155 WeakPolarHBondContact CD-O 3.31Å; R50-N155 PolarHBondContact NE-O 3.18Å; R50-N155 VanDerWaalsContact NH1-C 3.32Å; R50-N155 PolarHBondContact NH1-O 3.48Å; R50-N155 VanDerWaalsContact NH1-O 3.14Å
156	I	94.1	Very high	78.2	Confident	25 Å²	25	71.4 Å²	71.4	13%	0.128	36%	0.355	C	S	.	.			trans	-137.4	150.2	-176.5	61.4	170.5	0	0	0	109.1	R52 I93 G154 V159	R52-I156 HydrophobicContact CB-CB 4.47Å; R52-I156 HydrophobicContact CB-CD1 3.9Å; R52-I156 HydrophobicContact CB-CG2 4.1Å; R52-I156 HydrophobicContact CG-CD1 4.49Å; I93-I156 HydrophobicContact CD1-CD1 4.42Å; I93-I156 HydrophobicContact CD1-CG1 4.19Å; G154-I156 PolarHBondContact O-N 3.46Å; I156-V159 HydrophobicContact CD1-CG2 3.53Å
157	D	96.2	Very high	77.5	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.358	C	S	.	.	S	Bend	trans	-113.8	-14.4	-174.1	-51.2	-60.9	0	0	0	112.9	F49 R50 P85 H88 I93 R188	F49-D157 HydrophobicContact CD2-CB 3.85Å; F49-D157 HydrophobicContact CE2-CB 4.03Å; R50-D157 WeakPolarHBondContact CB-OD2 3.44Å; R50-D157 IonicContact CZ-OD1 2.92Å; R50-D157 IonicContact CZ-OD2 3.68Å; R50-D157 PolarHBondContact N-OD2 2.92Å; R50-D157 IonicContact NE-OD1 3.69Å; R50-D157 IonicContact NE-OD2 2.93Å; R50-D157 PolarHBondContact NE-OD2 2.87Å; R50-D157 IonicContact NH2-OD1 3.81Å; R50-D157 PolarHBondContact NH2-OD1 2.77Å; R50-D157 IonicContact NH2-OD2 3.53Å; R50-D157 PolarHBondContact O-N 3.25Å; P85-D157 HydrophobicContact CG-CB 4.06Å; H88-D157 IonicContact CE1-OD1 2.75Å; H88-D157 IonicContact CG-OD1 3.81Å; H88-D157 VanDerWaalsContact ND1-CG 3.35Å; H88-D157 IonicContact ND1-OD1 3.58Å; H88-D157 PolarHBondContact ND1-OD1 3.2Å; H88-D157 IonicContact ND1-OD2 3.51Å; I93-D157 VanDerWaalsContact CD1-C 3.47Å; D157-R188 PolarHBondContact O-NH1 2.84Å; D157-R188 PolarHBondContact O-NH2 3Å
158	F	98.2	Very high	78.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	147.5	174.3	-165	-88.5	0	0	0	111.5	F49 R50 V51 R52 L160 P189 I190 A191 G192 T221 F222	F49-F158 HydrophobicContact CE2-CB 3.73Å; F49-F158 HydrophobicContact CZ-CB 4.08Å; R50-F158 PolarHBondContact O-N 2.62Å; V51-F158 HydrophobicContact CG1-CB 4.4Å; V51-F158 HydrophobicContact CG1-CD1 4.03Å; V51-F158 HydrophobicContact CG2-CB 4.2Å; R52-F158 PolarHBondContact N-O 2.75Å; F158-L160 HydrophobicContact CD1-CB 4.22Å; F158-L160 HydrophobicContact CE1-CB 4.1Å; F158-L160 HydrophobicContact CE1-CD1 4.15Å; F158-P189 WeakPolarHBondContact CD2-O 3.05Å; F158-P189 HydrophobicContact CE2-CB 4.04Å; F158-I190 CarbonylContact C-O 3.51Å; F158-I190 VanDerWaalsContact CA-O 3.24Å; F158-I190 WeakPolarHBondContact CA-O 3.35Å; F158-A191 VanDerWaalsContact CZ-C 3.46Å; F158-G192 VanDerWaalsContact CZ-N 3.29Å; F158-T221 WeakPolarHBondContact CZ-O 3.4Å; F158-F222 HydrophobicContact CD1-CE1 4.01Å; F158-F222 HydrophobicContact CD2-CD1 4.09Å; F158-F222 HydrophobicContact CD2-CE1 4.07Å; F158-F222 HydrophobicContact CE1-CD1 4.46Å; F158-F222 HydrophobicContact CE1-CE1 4.03Å; F158-F222 AromaticContact CE2-CD1 3.84Å; F158-F222 HydrophobicContact CE2-CD1 3.84Å; F158-F222 HydrophobicContact CE2-CE1 4.1Å; F158-F222 HydrophobicContact CG-CE1 4.03Å; F158-F222 HydrophobicContact CZ-CD1 4.04Å; F158-F222 HydrophobicContact CZ-CE1 4.07Å
159	V	98	Very high	79.1	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.8	169.1	-172.8	0	0	0	0	109.9	R52 V54 I93 Y133 I156 F161 I190 A191 G192	R52-V159 HydrophobicContact CB-CG2 4.48Å; R52-V159 CarbonylContact O-C 3.55Å; R52-V159 WeakPolarHBondContact O-CA 3.31Å; V54-V159 HydrophobicContact CG2-CG1 4.17Å; I93-V159 HydrophobicContact CB-CG2 4.05Å; I93-V159 HydrophobicContact CD1-CG2 4.28Å; I93-V159 HydrophobicContact CG2-CG2 3.85Å; Y133-V159 HydrophobicContact CD1-CG1 4.07Å; Y133-V159 HydrophobicContact CD1-CG2 4.13Å; Y133-V159 HydrophobicContact CE1-CG1 3.87Å; Y133-V159 HydrophobicContact CE1-CG2 4Å; I156-V159 HydrophobicContact CD1-CG2 3.53Å; V159-F161 HydrophobicContact CB-CE2 4.22Å; V159-F161 HydrophobicContact CB-CZ 4.33Å; V159-F161 HydrophobicContact CG1-CD2 4.39Å; V159-F161 HydrophobicContact CG1-CE1 3.96Å; V159-F161 HydrophobicContact CG1-CE2 3.63Å; V159-F161 HydrophobicContact CG1-CZ 3.39Å; V159-I190 PolarHBondContact N-O 2.87Å; V159-A191 HydrophobicContact CB-CB 4.42Å; V159-A191 CarbonylContact O-C 3.49Å; V159-A191 WeakPolarHBondContact O-CA 3.21Å; V159-G192 PolarHBondContact O-N 2.92Å
160	L	98.5	Very high	79.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.6	178.5	-177.9	73.4	0	0	0	110.2	V51 R52 V53 V54 L76 F158 V162 G192 I194 L218 T221	V51-L160 HydrophobicContact CG1-CB 3.97Å; R52-L160 PolarHBondContact O-N 3.36Å; V53-L160 CarbonylContact C-O 3.51Å; V53-L160 WeakPolarHBondContact CA-O 3.49Å; V53-L160 HydrophobicContact CG2-CD2 4.36Å; V54-L160 PolarHBondContact N-O 2.85Å; L76-L160 HydrophobicContact CD1-CD2 4.13Å; L76-L160 HydrophobicContact CD2-CD2 4.39Å; F158-L160 HydrophobicContact CD1-CB 4.22Å; F158-L160 HydrophobicContact CE1-CB 4.1Å; F158-L160 HydrophobicContact CE1-CD1 4.15Å; L160-V162 HydrophobicContact CD2-CG2 3.7Å; L160-V162 HydrophobicContact CG-CG2 3.76Å; L160-G192 WeakPolarHBondContact CA-O 3.38Å; L160-I194 HydrophobicContact CD1-CD1 3.88Å; L160-I194 HydrophobicContact CD1-CG1 4.02Å; L160-I194 HydrophobicContact CD2-CD1 4.41Å; L160-L218 HydrophobicContact CD1-CD2 3.98Å; L160-L218 HydrophobicContact CD2-CD2 3.66Å; L160-L218 HydrophobicContact CG-CD2 4.45Å; L160-T221 HydrophobicContact CD1-CG2 4.08Å
161	F	97.7	Very high	80.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.6	171.9	-55.7	-83.9	0	0	0	109.6	V54 I95 F127 I129 Y133 V159 A191 G192 S193 I194	V54-F161 HydrophobicContact CB-CD1 3.75Å; V54-F161 HydrophobicContact CB-CE1 4.09Å; V54-F161 HydrophobicContact CG1-CD1 4.09Å; V54-F161 HydrophobicContact CG1-CE1 4.36Å; V54-F161 HydrophobicContact CG2-CD1 4.13Å; V54-F161 HydrophobicContact CG2-CE1 3.97Å; V54-F161 WeakPolarHBondContact O-CA 3.03Å; I95-F161 HydrophobicContact CD1-CE2 3.49Å; I95-F161 VanDerWaalsContact CD1-CE2 3.49Å; I95-F161 HydrophobicContact CD1-CZ 3.85Å; F127-F161 HydrophobicContact CB-CB 4.35Å; F127-F161 HydrophobicContact CD1-CB 3.74Å; F127-F161 AromaticContact CD1-CD1 3.93Å; F127-F161 HydrophobicContact CD1-CD1 3.93Å; F127-F161 HydrophobicContact CD1-CG 4.03Å; F127-F161 HydrophobicContact CD2-CB 3.68Å; F127-F161 HydrophobicContact CE1-CB 3.92Å; F127-F161 AromaticContact CE1-CD1 3.58Å; F127-F161 HydrophobicContact CE1-CD1 3.58Å; F127-F161 HydrophobicContact CE1-CG 4.09Å; F127-F161 HydrophobicContact CE2-CB 3.84Å; F127-F161 HydrophobicContact CG-CB 3.65Å; F127-F161 HydrophobicContact CG-CG 4.41Å; F127-F161 HydrophobicContact CZ-CB 3.98Å; F127-F161 HydrophobicContact CZ-CD1 4.04Å; F127-F161 HydrophobicContact CZ-CG 4.48Å; I129-F161 HydrophobicContact CD1-CD1 4.1Å; I129-F161 HydrophobicContact CD1-CD2 3.71Å; I129-F161 HydrophobicContact CD1-CE1 4.13Å; I129-F161 HydrophobicContact CD1-CE2 3.77Å; I129-F161 HydrophobicContact CD1-CG 3.9Å; I129-F161 HydrophobicContact CD1-CZ 3.96Å; I129-F161 HydrophobicContact CG2-CE1 4.41Å; I129-F161 HydrophobicContact CG2-CZ 4.14Å; Y133-F161 AromaticContact CD2-CE1 3.8Å; Y133-F161 HydrophobicContact CD2-CE1 3.8Å; Y133-F161 HydrophobicContact CD2-CZ 4.05Å; Y133-F161 HydrophobicContact CE2-CE1 4.21Å; Y133-F161 HydrophobicContact CG-CE1 4.21Å; Y133-F161 AromaticContact CG-CZ 3.97Å; Y133-F161 HydrophobicContact CG-CZ 3.97Å; V159-F161 HydrophobicContact CB-CE2 4.22Å; V159-F161 HydrophobicContact CB-CZ 4.33Å; V159-F161 HydrophobicContact CG1-CD2 4.39Å; V159-F161 HydrophobicContact CG1-CE1 3.96Å; V159-F161 HydrophobicContact CG1-CE2 3.63Å; V159-F161 HydrophobicContact CG1-CZ 3.39Å; F161-A191 HydrophobicContact CE2-CB 4.44Å; F161-G192 WeakPolarHBondContact CD2-O 3.48Å; F161-G192 PolarHBondContact N-O 3.16Å; F161-S193 CarbonylContact O-C 3.5Å; F161-S193 WeakPolarHBondContact O-CA 3.36Å; F161-I194 PolarHBondContact O-N 3.37Å
162	V	96.3	Very high	81.1	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.6	-178.9	-171.8	0	0	0	0	109.6	V53 V54 L55 S56 L59 F68 F127 L160 I194 I196	V53-V162 HydrophobicContact CG1-CG2 4.21Å; V54-V162 PolarHBondContact O-N 3.48Å; L55-V162 CarbonylContact C-O 3.52Å; L55-V162 WeakPolarHBondContact CA-O 3.44Å; L55-V162 HydrophobicContact CD2-CB 3.67Å; L55-V162 HydrophobicContact CD2-CG1 4.3Å; L55-V162 HydrophobicContact CD2-CG2 4.15Å; S56-V162 PolarHBondContact N-O 2.93Å; L59-V162 HydrophobicContact CD1-CG1 4.38Å; L59-V162 VanDerWaalsContact CD1-O 3.3Å; L59-V162 WeakPolarHBondContact CD1-O 3.02Å; F68-V162 HydrophobicContact CE1-CG1 4.16Å; F68-V162 HydrophobicContact CZ-CG1 3.81Å; F127-V162 WeakPolarHBondContact CE2-O 3.21Å; L160-V162 HydrophobicContact CD2-CG2 3.7Å; L160-V162 HydrophobicContact CG-CG2 3.76Å; V162-I194 WeakPolarHBondContact CA-O 3.2Å; V162-I194 HydrophobicContact CG1-CB 4.46Å; V162-I196 HydrophobicContact CG1-CG1 4.37Å
163	R	92.6	Very high	82.4	Confident	37 Å²	37	60.4 Å²	60.4	14%	0.14	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	164.8	175.1	66.1	179.9	-176.1	103	3.2	112.4	S56 N125 G126 F127 H165 I194 V195 I196	S56-R163 VanDerWaalsContact OG-CA 3.22Å; S56-R163 WeakPolarHBondContact OG-CA 3.36Å; S56-R163 VanDerWaalsContact OG-CB 3.25Å; S56-R163 WeakPolarHBondContact OG-CB 3.4Å; N125-R163 PolarHBondContact O-NE 2.86Å; N125-R163 PolarHBondContact O-NH2 2.93Å; G126-R163 WeakPolarHBondContact O-CD 3.47Å; G126-R163 PolarHBondContact O-NE 2.74Å; G126-R163 VanDerWaalsContact O-NE 3.07Å; F127-R163 HydrophobicContact CD2-CB 3.65Å; F127-R163 HydrophobicContact CD2-CG 3.92Å; F127-R163 HydrophobicContact CE2-CB 3.98Å; R163-H165 VanDerWaalsContact NH1-CB 3.28Å; R163-I194 PolarHBondContact N-O 3.44Å; R163-V195 HydrophobicContact CG-CB 4.34Å; R163-V195 HydrophobicContact CG-CG1 4.09Å; R163-V195 HydrophobicContact CG-CG2 4.06Å; R163-V195 VanDerWaalsContact NH2-CG2 3.3Å; R163-V195 WeakPolarHBondContact O-CA 3.36Å; R163-I196 PolarHBondContact O-N 3.22Å
164	S	89.9	Confident	83.6	Confident	22 Å²	22	53.8 Å²	53.8	15%	0.154	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.8	167.4	-169.5	0	0	0	0	110.2	D58 I196 M200	D58-S164 PolarHBondContact OD2-N 3.27Å; D58-S164 VanDerWaalsContact OD2-N 3.08Å; S164-I196 WeakPolarHBondContact CA-O 3.26Å; S164-M200 VanDerWaalsContact OG-CE 3.28Å; S164-M200 WeakPolarHBondContact OG-CE 3.32Å
165	H	85.2	Confident	84.8	Confident	83 Å²	83	53.9 Å²	53.9	38%	0.384	30%	0.301	S	S	.	.			trans	-151.9	127.9	173.4	-165.6	-107.1	0	0	0	111.7	R163 A167 V195 I196 C197	R163-H165 VanDerWaalsContact NH1-CB 3.28Å; H165-A167 VanDerWaalsContact C-N 3.34Å; H165-A167 PolarHBondContact CE1-O 3.17Å; H165-A167 VanDerWaalsContact ND1-C 3.32Å; H165-A167 PolarHBondContact ND1-N 3.11Å; H165-A167 PolarHBondContact ND1-O 3.25Å; H165-A167 PolarHBondContact O-N 3.3Å; H165-V195 HydrophobicContact CB-CG1 3.82Å; H165-I196 PolarHBondContact N-O 3.12Å; H165-C197 WeakPolarHBondContact O-CA 3.25Å
166	N	70.3	Confident	85.1	Confident	153 Å²	153	49.4 Å²	49.4	82%	0.818	28%	0.278	S	S	*	.	S	Bend	trans	-72.1	-26.9	-175.1	-68.2	-14.1	0	0	0	113.2
167	A	65.1	Low	85.2	Confident	71 Å²	71	49.1 Å²	49.1	59%	0.587	28%	0.279	S	S	*	.			trans	-111.3	83.2	-177.9	0	0	0	0	0	110.8	H165	H165-A167 VanDerWaalsContact C-N 3.34Å; H165-A167 PolarHBondContact CE1-O 3.17Å; H165-A167 VanDerWaalsContact ND1-C 3.32Å; H165-A167 PolarHBondContact ND1-N 3.11Å; H165-A167 PolarHBondContact ND1-O 3.25Å; H165-A167 PolarHBondContact O-N 3.3Å
168	C	76.4	Confident	85	Confident	24 Å²	24	51.6 Å²	51.6	16%	0.162	29%	0.293	C	S	.	.			trans	-81.6	-179.4	165	-67.3	0	0	0	0	110	S170 T173 C197	C168-S170 PolarHBondContact O-N 2.94Å; C168-T173 HydrophobicContact CB-CG2 4.03Å; C168-C197 HydrophobicContact CB-CB 3.68Å; C168-C197 WeakPolarHBondContact CB-SG 3.5Å; C168-C197 WeakPolarHBondContact SG-CB 3.38Å; C168-C197 CovalentContact SG-SG 2Å; C168-C197 PolarHBondContact SG-SG 3.21Å
169	I	67.7	Low	84.9	Confident	164 Å²	164	52 Å²	52	84%	0.841	30%	0.295	S	S	*	.	S	Bend	trans	-49.5	-32.6	-173.1	-58.9	169.9	0	0	0	112.5
170	S	67.5	Low	84.8	Confident	45 Å²	45	53.1 Å²	53.1	32%	0.315	30%	0.303	S	S	.	.	S	Bend	trans	-138	157.3	169.4	74.2	0	0	0	0	111.2	C168 S172 T173	C168-S170 PolarHBondContact O-N 2.94Å; S170-S172 PolarHBondContact O-N 3.3Å; S170-S172 PolarHBondContact OG-N 2.77Å; S170-S172 PolarHBondContact OG-OG 2.69Å; S170-T173 PolarHBondContact N-OG1 2.75Å; S170-T173 WeakPolarHBondContact O-CB 3.09Å; S170-T173 PolarHBondContact O-N 3.06Å; S170-T173 VanDerWaalsContact O-N 3.11Å; S170-T173 PolarHBondContact O-OG1 3.43Å; S170-T173 PolarHBondContact OG-N 3.24Å; S170-T173 PolarHBondContact OG-OG1 3.2Å
171	E	61	Low	84.7	Confident	191 Å²	191	54.3 Å²	54.3	89%	0.893	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.6	171.8	-65.8	-171	167	0	0	112.7
172	S	73.6	Confident	84.5	Confident	101 Å²	101	56.6 Å²	56.6	71%	0.706	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.1	177.6	47.3	0	0	0	0	114.5	S170 M174	S170-S172 PolarHBondContact O-N 3.3Å; S170-S172 PolarHBondContact OG-N 2.77Å; S170-S172 PolarHBondContact OG-OG 2.69Å; S172-M174 PolarHBondContact O-N 2.67Å
173	T	85.3	Confident	84.4	Confident	31 Å²	31	57.6 Å²	57.6	19%	0.19	32%	0.323	C	S	.	.			trans	-68.5	123.9	-179.6	-57.6	0	0	0	0	109.7	C168 S170 A175 T176 C197 S198	C168-T173 HydrophobicContact CB-CG2 4.03Å; S170-T173 PolarHBondContact N-OG1 2.75Å; S170-T173 WeakPolarHBondContact O-CB 3.09Å; S170-T173 PolarHBondContact O-N 3.06Å; S170-T173 VanDerWaalsContact O-N 3.11Å; S170-T173 PolarHBondContact O-OG1 3.43Å; S170-T173 PolarHBondContact OG-N 3.24Å; S170-T173 PolarHBondContact OG-OG1 3.2Å; T173-A175 VanDerWaalsContact CG2-O 3.31Å; T173-A175 WeakPolarHBondContact CG2-O 3.27Å; T173-T176 HydrophobicContact CG2-CG2 3.59Å; T173-C197 WeakPolarHBondContact O-CB 3.36Å; T173-S198 PolarHBondContact O-N 2.87Å; T173-S198 PolarHBondContact O-OG 2.93Å
174	M	89.3	Confident	84.2	Confident	48 Å²	48	59.7 Å²	59.7	24%	0.236	34%	0.337	C	S	.	.			trans	-80.9	-46.2	-178.4	-68	-177.9	91.6	0	0	111.5	S172 C197 S198 A199 Y202 I213	S172-M174 PolarHBondContact O-N 2.67Å; M174-C197 CarbonylContact O-C 3.49Å; M174-C197 WeakPolarHBondContact O-CA 2.88Å; M174-C197 VanDerWaalsContact O-CB 3.3Å; M174-C197 WeakPolarHBondContact O-CB 3.44Å; M174-C197 PolarHBondContact O-N 2.96Å; M174-S198 WeakPolarHBondContact CA-OG 3.46Å; M174-A199 HydrophobicContact CB-CB 4.16Å; M174-A199 WeakPolarHBondContact O-CB 3.49Å; M174-A199 PolarHBondContact O-N 2.85Å; M174-A199 VanDerWaalsContact O-N 3.09Å; M174-Y202 HydrophobicContact CE-CD2 4.24Å; M174-Y202 HydrophobicContact CE-CE2 3.3Å; M174-I213 HydrophobicContact CE-CD1 3.42Å; M174-I213 VanDerWaalsContact CE-CD1 3.42Å; M174-I213 HydrophobicContact CE-CG1 4.33Å; M174-I213 HydrophobicContact SD-CD1 4.33Å
175	A	92.4	Very high	84.2	Confident	11 Å²	11	63.3 Å²	63.3	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	170.8	174.3	0	0	0	0	0	109.1	T173 V195 I196 I213 E217	T173-A175 VanDerWaalsContact CG2-O 3.31Å; T173-A175 WeakPolarHBondContact CG2-O 3.27Å; A175-V195 CarbonylContact C-O 3.59Å; A175-V195 WeakPolarHBondContact CA-O 3.2Å; A175-V195 VanDerWaalsContact CB-O 3.26Å; A175-V195 WeakPolarHBondContact CB-O 3.44Å; A175-I196 HydrophobicContact CB-CD1 4.09Å; A175-I213 HydrophobicContact CB-CG2 3.73Å; A175-E217 HydrophobicContact CB-CG 3.67Å; A175-E217 VanDerWaalsContact CB-OE1 3.31Å; A175-E217 WeakPolarHBondContact CB-OE1 3.45Å
176	T	92.8	Very high	84.6	Confident	28 Å²	28	60.4 Å²	60.4	17%	0.172	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.8	172.5	60	0	0	0	0	109.8	N125 T173 I194 V195	N125-T176 PolarHBondContact ND2-O 3.45Å; T173-T176 HydrophobicContact CG2-CG2 3.59Å; T176-I194 CarbonylContact O-C 3.58Å; T176-I194 WeakPolarHBondContact O-CA 3.37Å; T176-V195 PolarHBondContact N-O 3.3Å; T176-V195 PolarHBondContact O-N 2.93Å; T176-V195 WeakPolarHBondContact OG1-CB 3.21Å
177	A	94.5	Very high	85.8	Confident	19 Å²	19	53.4 Å²	53.4	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155	176	0	0	0	0	0	112.1	N125 S193 I194 E217 H220 T221	N125-A177 VanDerWaalsContact ND2-C 3.33Å; N125-A177 WeakPolarHBondContact ND2-CA 3.21Å; A177-S193 CarbonylContact C-O 3.54Å; A177-S193 VanDerWaalsContact CA-O 3.24Å; A177-S193 WeakPolarHBondContact CA-O 3.44Å; A177-I194 HydrophobicContact CB-CG1 4.21Å; A177-E217 HydrophobicContact CB-CB 3.98Å; A177-E217 VanDerWaalsContact CB-O 3.31Å; A177-E217 WeakPolarHBondContact CB-O 3Å; A177-E217 WeakPolarHBondContact CB-OE2 3.02Å; A177-E217 PolarHBondContact N-OE2 2.81Å; A177-H220 HydrophobicContact CB-CB 3.72Å; A177-T221 HydrophobicContact CB-CG2 3.9Å
178	D	93.3	Very high	87.3	Confident	53 Å²	53	50.1 Å²	50.1	28%	0.283	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	155.9	174.1	-157.4	-5.2	0	0	0	111	N125 G192 S193	N125-D178 HydrophobicContact CB-CB 3.77Å; N125-D178 PolarHBondContact ND2-N 2.81Å; D178-G192 CarbonylContact O-C 3.57Å; D178-G192 WeakPolarHBondContact O-CA 3.35Å; D178-S193 PolarHBondContact N-O 3.31Å; D178-S193 PolarHBondContact O-N 3.12Å
179	T	95.7	Very high	88.4	Confident	9 Å²	9	49 Å²	49	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.6	170.2	-66	0	0	0	0	109.3	P189 A191 T221 W227 L228	T179-P189 HydrophobicContact CG2-CB 3.68Å; T179-P189 HydrophobicContact CG2-CG 4.04Å; T179-A191 CarbonylContact C-O 3.41Å; T179-T221 PolarHBondContact OG1-O 3.3Å; T179-W227 HydrophobicContact CG2-CH2 3.91Å; T179-W227 HydrophobicContact CG2-CZ2 4.3Å; T179-L228 HydrophobicContact CG2-CD1 4.4Å
180	C	96.7	Very high	89.8	Confident	23 Å²	23	41.8 Å²	41.8	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-30.7	-176.9	-53.5	0	0	0	0	113.3	I95 C124 A191 G192	I95-C180 HydrophobicContact CD1-CB 4.1Å; C124-C180 HydrophobicContact CB-CB 3.74Å; C124-C180 WeakPolarHBondContact CB-SG 3.14Å; C124-C180 WeakPolarHBondContact SG-CA 3.42Å; C124-C180 WeakPolarHBondContact SG-CB 3.42Å; C124-C180 CovalentContact SG-SG 2.03Å; C124-C180 PolarHBondContact SG-SG 3.04Å; C180-A191 HydrophobicContact CB-CB 4.05Å; C180-A191 PolarHBondContact N-O 3.13Å; C180-G192 VanDerWaalsContact SG-C 3.58Å
181	E	95.7	Very high	91.2	Very high	24 Å²	24	39.7 Å²	39.7	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	145.6	-177.1	-168.6	63.1	-90	0	0	110.8	I95 E96 I190 A191	I95-E181 WeakPolarHBondContact CA-OE2 3.24Å; I95-E181 HydrophobicContact CG1-CB 4.04Å; I95-E181 HydrophobicContact CG2-CB 4.42Å; E96-E181 PolarHBondContact N-OE2 3.25Å; E181-I190 HydrophobicContact CB-CG1 4.11Å; E181-I190 HydrophobicContact CG-CD1 3.98Å; E181-I190 HydrophobicContact CG-CG1 4.03Å; E181-I190 WeakPolarHBondContact O-CG1 3.48Å; E181-I190 PolarHBondContact O-N 3.03Å; E181-A191 HydrophobicContact CB-CB 4.01Å; E181-A191 PolarHBondContact N-O 3.15Å; E181-A191 PolarHBondContact O-N 3.01Å
182	K	93.8	Very high	93	Very high	48 Å²	48	30.6 Å²	30.6	21%	0.209	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148	174.3	67.4	-175.6	179.9	-61.8	0	110.7	L184 R188 Y231	K182-L184 PolarHBondContact O-N 3.49Å; K182-R188 WeakPolarHBondContact CA-O 3.32Å; K182-Y231 HydrophobicContact CD-CD1 4.17Å; K182-Y231 HydrophobicContact CD-CE1 4.19Å
183	D	93.4	Very high	94.1	Very high	24 Å²	24	25.8 Å²	25.8	13%	0.128	14%	0.142	C	C	.	.			trans	-69.5	125.8	174.3	179.4	-93.1	0	0	0	110.4	D185 T186 D187 R188 I190	D183-D185 PolarHBondContact O-N 2.91Å; D183-D185 PolarHBondContact OD1-N 3.42Å; D183-T186 WeakPolarHBondContact CB-OG1 3.29Å; D183-T186 VanDerWaalsContact CG-OG1 3.28Å; D183-T186 WeakPolarHBondContact OD1-CB 3.4Å; D183-T186 WeakPolarHBondContact OD1-CG2 3.46Å; D183-T186 PolarHBondContact OD1-N 3.41Å; D183-T186 PolarHBondContact OD1-OG1 3.04Å; D183-D187 WeakPolarHBondContact O-CA 3.48Å; D183-D187 PolarHBondContact O-N 3.12Å; D183-R188 PolarHBondContact N-O 2.8Å; D183-I190 HydrophobicContact CB-CD1 4.31Å; D183-I190 HydrophobicContact CB-CG2 3.79Å
184	L	88.5	Confident	94.7	Very high	81 Å²	81	24.4 Å²	24.4	42%	0.424	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.7	-173.8	-69.8	173.9	0	0	0	114.2	Y111 K182	Y111-L184 HydrophobicContact CD1-CD1 4.27Å; Y111-L184 HydrophobicContact CE1-CD1 3.7Å; K182-L184 PolarHBondContact O-N 3.49Å
185	D	89.7	Confident	94.9	Very high	98 Å²	98	22.1 Å²	22.1	52%	0.524	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-36.7	-176	-67.5	-39.1	0	0	0	111.5	D183 R233	D183-D185 PolarHBondContact O-N 2.91Å; D183-D185 PolarHBondContact OD1-N 3.42Å; D185-R233 PolarHBondContact O-NH2 2.78Å
186	T	94.1	Very high	94.9	Very high	22 Å²	22	21.6 Å²	21.6	14%	0.135	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-9.6	-173.7	64.5	0	0	0	0	114.2	K87 D183 R188 R233 W357	K87-T186 HydrophobicContact CB-CG2 4.04Å; K87-T186 HydrophobicContact CD-CG2 3.89Å; D183-T186 WeakPolarHBondContact CB-OG1 3.29Å; D183-T186 VanDerWaalsContact CG-OG1 3.28Å; D183-T186 WeakPolarHBondContact OD1-CB 3.4Å; D183-T186 WeakPolarHBondContact OD1-CG2 3.46Å; D183-T186 PolarHBondContact OD1-N 3.41Å; D183-T186 PolarHBondContact OD1-OG1 3.04Å; T186-R188 PolarHBondContact O-N 3.01Å; T186-R233 WeakPolarHBondContact O-CD 3.33Å; T186-R233 PolarHBondContact O-NE 3.05Å; T186-W357 PolarHBondContact O-NE1 2.99Å; T186-W357 VanDerWaalsContact O-NE1 3.13Å
187	D	95.5	Very high	94.9	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.032	11%	0.111	C	C	.	.			trans	58.8	1.9	-171.7	-59.2	-52.1	0	0	0	115.9	D183 Y231 R233 R243 W357	D183-D187 WeakPolarHBondContact O-CA 3.48Å; D183-D187 PolarHBondContact O-N 3.12Å; D187-Y231 HydrophobicContact CB-CD1 4.16Å; D187-Y231 WeakPolarHBondContact CB-O 3.41Å; D187-R233 IonicContact OD1-NH2 3.41Å; D187-R233 IonicContact OD2-CZ 2.83Å; D187-R233 IonicContact OD2-NE 2.81Å; D187-R233 PolarHBondContact OD2-NE 2.73Å; D187-R233 IonicContact OD2-NH2 3.89Å; D187-R233 PolarHBondContact OD2-NH2 3.17Å; D187-R243 IonicContact OD2-CZ 3.17Å; D187-R243 IonicContact OD2-NE 3.96Å; D187-R243 IonicContact OD2-NH2 3.9Å; D187-R243 PolarHBondContact OD2-NH2 3.49Å; D187-W357 HydrophobicContact CB-CZ2 4.37Å; D187-W357 WeakPolarHBondContact O-CZ2 3.47Å
188	R	97.2	Very high	94.7	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.011	12%	0.115	C	C	.	.			trans	-69.7	137.8	-177.7	-178.2	-179	59	81.6	-9	110.4	K87 D157 K182 D183 T186 I190 W357 Y358	K87-R188 PolarHBondContact O-NH2 3.22Å; D157-R188 PolarHBondContact O-NH1 2.84Å; D157-R188 PolarHBondContact O-NH2 3Å; K182-R188 WeakPolarHBondContact CA-O 3.32Å; D183-R188 PolarHBondContact N-O 2.8Å; T186-R188 PolarHBondContact O-N 3.01Å; R188-I190 PolarHBondContact O-N 2.89Å; R188-W357 HydrophobicContact CB-CB 4.01Å; R188-W357 HydrophobicContact CB-CD2 4.13Å; R188-W357 HydrophobicContact CB-CG 3.74Å; R188-W357 HydrophobicContact CG-CB 3.74Å; R188-W357 HydrophobicContact CG-CD2 4.24Å; R188-W357 HydrophobicContact CG-CG 3.91Å; R188-Y358 HydrophobicContact CG-CE1 4.45Å
189	P	97.8	Very high	94.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	127.4	165.6	-30.3	39	0	0	0	112.5	F158 T179 T221 L228 W357	F158-P189 WeakPolarHBondContact CD2-O 3.05Å; F158-P189 HydrophobicContact CE2-CB 4.04Å; T179-P189 HydrophobicContact CG2-CB 3.68Å; T179-P189 HydrophobicContact CG2-CG 4.04Å; P189-T221 WeakPolarHBondContact CB-O 3.18Å; P189-L228 HydrophobicContact CG-CD1 3.77Å; P189-W357 VanDerWaalsContact CD-CZ3 3.47Å; P189-W357 HydrophobicContact CG-CH2 4.41Å; P189-W357 HydrophobicContact CG-CZ3 4.04Å
190	I	97.3	Very high	94.3	Very high	13 Å²	13	19.5 Å²	19.5	7%	0.067	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-14.2	178.2	55.2	173.6	0	0	0	113	P89 I93 F158 V159 E181 D183 R188	P89-I190 HydrophobicContact CG-CG2 4.39Å; I93-I190 HydrophobicContact CD1-CB 4.2Å; I93-I190 HydrophobicContact CG1-CB 4.34Å; I93-I190 HydrophobicContact CG2-CB 4.28Å; I93-I190 HydrophobicContact CG2-CD1 4.17Å; I93-I190 HydrophobicContact CG2-CG1 4.23Å; F158-I190 CarbonylContact C-O 3.51Å; F158-I190 VanDerWaalsContact CA-O 3.24Å; F158-I190 WeakPolarHBondContact CA-O 3.35Å; V159-I190 PolarHBondContact N-O 2.87Å; E181-I190 HydrophobicContact CB-CG1 4.11Å; E181-I190 HydrophobicContact CG-CD1 3.98Å; E181-I190 HydrophobicContact CG-CG1 4.03Å; E181-I190 WeakPolarHBondContact O-CG1 3.48Å; E181-I190 PolarHBondContact O-N 3.03Å; D183-I190 HydrophobicContact CB-CD1 4.31Å; D183-I190 HydrophobicContact CB-CG2 3.79Å; R188-I190 PolarHBondContact O-N 2.89Å
191	A	98.2	Very high	93.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.5	168.3	0	0	0	0	0	110.5	I93 I95 F158 V159 F161 T179 C180 E181	I93-A191 HydrophobicContact CG2-CB 4.39Å; I95-A191 HydrophobicContact CD1-CB 3.75Å; I95-A191 HydrophobicContact CG1-CB 3.98Å; F158-A191 VanDerWaalsContact CZ-C 3.46Å; V159-A191 HydrophobicContact CB-CB 4.42Å; V159-A191 CarbonylContact O-C 3.49Å; V159-A191 WeakPolarHBondContact O-CA 3.21Å; F161-A191 HydrophobicContact CE2-CB 4.44Å; T179-A191 CarbonylContact C-O 3.41Å; C180-A191 HydrophobicContact CB-CB 4.05Å; C180-A191 PolarHBondContact N-O 3.13Å; E181-A191 HydrophobicContact CB-CB 4.01Å; E181-A191 PolarHBondContact N-O 3.15Å; E181-A191 PolarHBondContact O-N 3.01Å
192	G	98.3	Very high	93.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.5	178.2	0	0	0	0	0	111.2	F158 V159 L160 F161 D178 C180	F158-G192 VanDerWaalsContact CZ-N 3.29Å; V159-G192 PolarHBondContact O-N 2.92Å; L160-G192 WeakPolarHBondContact CA-O 3.38Å; F161-G192 WeakPolarHBondContact CD2-O 3.48Å; F161-G192 PolarHBondContact N-O 3.16Å; D178-G192 CarbonylContact O-C 3.57Å; D178-G192 WeakPolarHBondContact O-CA 3.35Å; C180-G192 VanDerWaalsContact SG-C 3.58Å
193	S	97.4	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.9	-177.8	57.2	0	0	0	0	111.4	C124 N125 F161 A177 D178	C124-S193 PolarHBondContact O-OG 3.32Å; C124-S193 PolarHBondContact SG-OG 3.39Å; N125-S193 WeakPolarHBondContact CB-OG 3.12Å; F161-S193 CarbonylContact O-C 3.5Å; F161-S193 WeakPolarHBondContact O-CA 3.36Å; A177-S193 CarbonylContact C-O 3.54Å; A177-S193 VanDerWaalsContact CA-O 3.24Å; A177-S193 WeakPolarHBondContact CA-O 3.44Å; D178-S193 PolarHBondContact N-O 3.31Å; D178-S193 PolarHBondContact O-N 3.12Å
194	I	96.2	Very high	93	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.5	176.8	-62	174.2	0	0	0	108.6	L160 F161 V162 R163 T176 A177 I196 E217 L218 T221	L160-I194 HydrophobicContact CD1-CD1 3.88Å; L160-I194 HydrophobicContact CD1-CG1 4.02Å; L160-I194 HydrophobicContact CD2-CD1 4.41Å; F161-I194 PolarHBondContact O-N 3.37Å; V162-I194 WeakPolarHBondContact CA-O 3.2Å; V162-I194 HydrophobicContact CG1-CB 4.46Å; R163-I194 PolarHBondContact N-O 3.44Å; T176-I194 CarbonylContact O-C 3.58Å; T176-I194 WeakPolarHBondContact O-CA 3.37Å; A177-I194 HydrophobicContact CB-CG1 4.21Å; I194-I196 HydrophobicContact CG2-CD1 3.63Å; I194-I196 HydrophobicContact CG2-CG1 4.34Å; I194-E217 HydrophobicContact CD1-CB 3.64Å; I194-E217 HydrophobicContact CG1-CB 3.86Å; I194-E217 HydrophobicContact CG2-CB 3.86Å; I194-E217 HydrophobicContact CG2-CG 3.99Å; I194-L218 HydrophobicContact CD1-CD2 3.91Å; I194-L218 HydrophobicContact CD1-CG 3.93Å; I194-T221 HydrophobicContact CD1-CG2 4.24Å; I194-T221 HydrophobicContact CG1-CG2 3.78Å
195	V	94.1	Very high	92.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.2	173.3	-171	0	0	0	0	107.5	N125 R163 H165 A175 T176	N125-V195 HydrophobicContact CB-CG2 4.42Å; N125-V195 WeakPolarHBondContact O-CG2 3.47Å; R163-V195 HydrophobicContact CG-CB 4.34Å; R163-V195 HydrophobicContact CG-CG1 4.09Å; R163-V195 HydrophobicContact CG-CG2 4.06Å; R163-V195 VanDerWaalsContact NH2-CG2 3.3Å; R163-V195 WeakPolarHBondContact O-CA 3.36Å; H165-V195 HydrophobicContact CB-CG1 3.82Å; A175-V195 CarbonylContact C-O 3.59Å; A175-V195 WeakPolarHBondContact CA-O 3.2Å; A175-V195 VanDerWaalsContact CB-O 3.26Å; A175-V195 WeakPolarHBondContact CB-O 3.44Å; T176-V195 PolarHBondContact N-O 3.3Å; T176-V195 PolarHBondContact O-N 2.93Å; T176-V195 WeakPolarHBondContact OG1-CB 3.21Å
196	I	93.2	Very high	92.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.1	173.7	-54.3	-59.1	0	0	0	108	F68 V162 R163 S164 H165 A175 I194 A199 M200 L210 I214	F68-I196 HydrophobicContact CE2-CG1 3.95Å; F68-I196 HydrophobicContact CZ-CG1 3.98Å; V162-I196 HydrophobicContact CG1-CG1 4.37Å; R163-I196 PolarHBondContact O-N 3.22Å; S164-I196 WeakPolarHBondContact CA-O 3.26Å; H165-I196 PolarHBondContact N-O 3.12Å; A175-I196 HydrophobicContact CB-CD1 4.09Å; I194-I196 HydrophobicContact CG2-CD1 3.63Å; I194-I196 HydrophobicContact CG2-CG1 4.34Å; I196-A199 HydrophobicContact CG2-CB 4.12Å; I196-M200 HydrophobicContact CB-CE 4.14Å; I196-M200 HydrophobicContact CG2-CB 4.16Å; I196-M200 HydrophobicContact CG2-CE 3.85Å; I196-L210 HydrophobicContact CG2-CD1 4.06Å; I196-I214 HydrophobicContact CD1-CG1 4.03Å
197	C	91.7	Very high	92.5	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.027	10%	0.099	C	C	.	.			trans	-104.4	-122.2	-174.2	-46.2	0	0	0	0	109.8	H165 C168 T173 M174 A199 M200	H165-C197 WeakPolarHBondContact O-CA 3.25Å; C168-C197 HydrophobicContact CB-CB 3.68Å; C168-C197 WeakPolarHBondContact CB-SG 3.5Å; C168-C197 WeakPolarHBondContact SG-CB 3.38Å; C168-C197 CovalentContact SG-SG 2Å; C168-C197 PolarHBondContact SG-SG 3.21Å; T173-C197 WeakPolarHBondContact O-CB 3.36Å; M174-C197 CarbonylContact O-C 3.49Å; M174-C197 WeakPolarHBondContact O-CA 2.88Å; M174-C197 VanDerWaalsContact O-CB 3.3Å; M174-C197 WeakPolarHBondContact O-CB 3.44Å; M174-C197 PolarHBondContact O-N 2.96Å; C197-A199 PolarHBondContact O-N 2.9Å; C197-M200 PolarHBondContact O-N 3.42Å; C197-M200 VanDerWaalsContact O-N 3.11Å
198	S	90.3	Very high	92.2	Very high	35 Å²	35	19.2 Å²	19.2	25%	0.245	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-59.9	-17	175.3	67.9	0	0	0	0	113.5	T173 M174 M200 K201	T173-S198 PolarHBondContact O-N 2.87Å; T173-S198 PolarHBondContact O-OG 2.93Å; M174-S198 WeakPolarHBondContact CA-OG 3.46Å; S198-M200 PolarHBondContact O-N 2.79Å; S198-K201 VanDerWaalsContact O-CD 3.32Å; S198-K201 WeakPolarHBondContact O-CD 3.25Å; S198-K201 WeakPolarHBondContact O-CG 3.46Å; S198-K201 PolarHBondContact O-N 2.53Å
199	A	91.1	Very high	91.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64.3	-17.4	175	0	0	0	0	0	114	M174 I196 C197 K201 Y202 L210 I213	M174-A199 HydrophobicContact CB-CB 4.16Å; M174-A199 WeakPolarHBondContact O-CB 3.49Å; M174-A199 PolarHBondContact O-N 2.85Å; M174-A199 VanDerWaalsContact O-N 3.09Å; I196-A199 HydrophobicContact CG2-CB 4.12Å; C197-A199 PolarHBondContact O-N 2.9Å; A199-K201 PolarHBondContact O-N 2.85Å; A199-K201 VanDerWaalsContact O-N 3.13Å; A199-Y202 HydrophobicContact CB-CD2 4.17Å; A199-Y202 WeakPolarHBondContact O-CB 3.3Å; A199-Y202 VanDerWaalsContact O-CD2 3.27Å; A199-Y202 WeakPolarHBondContact O-CD2 3.46Å; A199-Y202 PolarHBondContact O-N 3.47Å; A199-L210 HydrophobicContact CB-CD1 4.16Å; A199-I213 HydrophobicContact CB-CD1 3.68Å; A199-I213 HydrophobicContact CB-CG2 4.28Å
200	M	90	Very high	91.7	Very high	26 Å²	26	19.7 Å²	19.7	13%	0.128	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-58.5	-27.1	176.9	-168.9	57.3	74.2	0	0	112.3	L59 F68 S164 I196 C197 S198 Y202 L203	L59-M200 HydrophobicContact CD2-CE 3.61Å; F68-M200 HydrophobicContact CD2-CE 3.94Å; F68-M200 HydrophobicContact CD2-SD 4.14Å; F68-M200 HydrophobicContact CE2-CE 3.8Å; F68-M200 HydrophobicContact CE2-SD 4.48Å; S164-M200 VanDerWaalsContact OG-CE 3.28Å; S164-M200 WeakPolarHBondContact OG-CE 3.32Å; I196-M200 HydrophobicContact CB-CE 4.14Å; I196-M200 HydrophobicContact CG2-CB 4.16Å; I196-M200 HydrophobicContact CG2-CE 3.85Å; C197-M200 PolarHBondContact O-N 3.42Å; C197-M200 VanDerWaalsContact O-N 3.11Å; S198-M200 PolarHBondContact O-N 2.79Å; M200-Y202 PolarHBondContact O-N 3.43Å; M200-Y202 VanDerWaalsContact O-N 3.12Å; M200-L203 VanDerWaalsContact O-CB 3.27Å; M200-L203 WeakPolarHBondContact O-CB 3.16Å; M200-L203 PolarHBondContact O-N 2.95Å; M200-L203 VanDerWaalsContact O-N 3.08Å; M200-L203 HydrophobicContact SD-CB 4.32Å; M200-L203 HydrophobicContact SD-CD2 3.89Å
201	K	87.9	Confident	91.6	Very high	130 Å²	130	21.9 Å²	21.9	57%	0.565	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-60	-21.5	175	78.6	-167.3	175.8	-176.5	0	114.1	S198 A199 L203 S205	S198-K201 VanDerWaalsContact O-CD 3.32Å; S198-K201 WeakPolarHBondContact O-CD 3.25Å; S198-K201 WeakPolarHBondContact O-CG 3.46Å; S198-K201 PolarHBondContact O-N 2.53Å; A199-K201 PolarHBondContact O-N 2.85Å; A199-K201 VanDerWaalsContact O-N 3.13Å; K201-L203 VanDerWaalsContact C-N 3.33Å; K201-S205 PolarHBondContact O-OG 3.44Å
202	Y	88.8	Confident	91.4	Very high	36 Å²	36	23.2 Å²	23.2	14%	0.141	12%	0.118	C	C	.	.	H	α-helix	trans	-81.8	-12.6	179.4	-61.2	-65.8	0	0	0	113.4	M174 A199 M200 D204 S205 N206 P207 E209 I213	M174-Y202 HydrophobicContact CE-CD2 4.24Å; M174-Y202 HydrophobicContact CE-CE2 3.3Å; A199-Y202 HydrophobicContact CB-CD2 4.17Å; A199-Y202 WeakPolarHBondContact O-CB 3.3Å; A199-Y202 VanDerWaalsContact O-CD2 3.27Å; A199-Y202 WeakPolarHBondContact O-CD2 3.46Å; A199-Y202 PolarHBondContact O-N 3.47Å; M200-Y202 PolarHBondContact O-N 3.43Å; M200-Y202 VanDerWaalsContact O-N 3.12Å; Y202-D204 VanDerWaalsContact C-N 3.25Å; Y202-D204 PolarHBondContact O-N 3.37Å; Y202-S205 WeakPolarHBondContact CA-OG 3.26Å; Y202-S205 PolarHBondContact O-N 2.96Å; Y202-N206 HydrophobicContact CD1-CB 4.46Å; Y202-N206 CarbonylContact O-C 3.54Å; Y202-N206 WeakPolarHBondContact O-CA 3.39Å; Y202-N206 PolarHBondContact O-N 2.88Å; Y202-N206 VanDerWaalsContact O-O 3.1Å; Y202-P207 VanDerWaalsContact O-N 3.12Å; Y202-E209 HydrophobicContact CD1-CB 4.42Å; Y202-E209 HydrophobicContact CD1-CG 4.2Å; Y202-E209 WeakPolarHBondContact CD1-OE2 3.43Å; Y202-E209 HydrophobicContact CD2-CG 4.38Å; Y202-E209 HydrophobicContact CE1-CG 4.32Å; Y202-E209 WeakPolarHBondContact CE1-OE1 3.37Å; Y202-E209 VanDerWaalsContact CE1-OE2 3.32Å; Y202-E209 WeakPolarHBondContact CE1-OE2 3.16Å; Y202-E209 HydrophobicContact CG-CB 4.39Å; Y202-E209 HydrophobicContact CG-CG 4.2Å; Y202-E209 PolarHBondContact OH-OE1 2.82Å; Y202-E209 VanDerWaalsContact OH-OE1 3.11Å; Y202-I213 HydrophobicContact CD2-CD1 4.13Å; Y202-I213 HydrophobicContact CE2-CD1 4.33Å
203	L	89.5	Confident	91.3	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-53.4	-45.1	-175.8	-178.7	56.5	0	0	0	112.1	N64 L67 F68 M200 K201 L210	N64-L203 HydrophobicContact CB-CD2 3.61Å; N64-L203 HydrophobicContact CB-CG 4.09Å; L67-L203 HydrophobicContact CB-CD1 4.15Å; L67-L203 HydrophobicContact CD2-CD1 4.02Å; L67-L203 HydrophobicContact CD2-CG 4.26Å; L67-L203 WeakPolarHBondContact CD2-O 3.47Å; L67-L203 HydrophobicContact CG-CD1 3.75Å; L67-L203 HydrophobicContact CG-CG 4.48Å; F68-L203 HydrophobicContact CB-CD1 3.96Å; F68-L203 HydrophobicContact CB-CD2 4.02Å; M200-L203 VanDerWaalsContact O-CB 3.27Å; M200-L203 WeakPolarHBondContact O-CB 3.16Å; M200-L203 PolarHBondContact O-N 2.95Å; M200-L203 VanDerWaalsContact O-N 3.08Å; M200-L203 HydrophobicContact SD-CB 4.32Å; M200-L203 HydrophobicContact SD-CD2 3.89Å; K201-L203 VanDerWaalsContact C-N 3.33Å; L203-L210 HydrophobicContact CB-CD2 4.04Å; L203-L210 HydrophobicContact CD1-CD2 3.76Å; L203-L210 HydrophobicContact CG-CD2 4.48Å
204	D	86.4	Confident	91.3	Very high	96 Å²	96	23.5 Å²	23.5	51%	0.513	12%	0.119	S	C	.	.	H	α-helix	trans	-95.4	-36.1	-178.4	-57.9	-33.7	0	0	0	112.7	N64 Y202	N64-D204 PolarHBondContact ND2-OD1 3.11Å; N64-D204 PolarHBondContact ND2-OD2 3.25Å; Y202-D204 VanDerWaalsContact C-N 3.25Å; Y202-D204 PolarHBondContact O-N 3.37Å
205	S	85.9	Confident	91.4	Very high	25 Å²	25	23.5 Å²	23.5	18%	0.175	12%	0.119	C	C	.	.	H	α-helix	trans	-77.1	-45	-175.2	57	0	0	0	0	112.4	K201 Y202 T472 K484	K201-S205 PolarHBondContact O-OG 3.44Å; Y202-S205 WeakPolarHBondContact CA-OG 3.26Å; Y202-S205 PolarHBondContact O-N 2.96Å; S205-T472 PolarHBondContact O-OG1 2.85Å; S205-K484 PolarHBondContact O-NZ 3.42Å
206	N	87.3	Confident	91.6	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	12%	0.121	C	C	.	.			trans	-151.6	76.4	-178.5	-168.6	-6.4	0	0	0	111.3	Y202 G208 E209 L210 N474 N481	Y202-N206 HydrophobicContact CD1-CB 4.46Å; Y202-N206 CarbonylContact O-C 3.54Å; Y202-N206 WeakPolarHBondContact O-CA 3.39Å; Y202-N206 PolarHBondContact O-N 2.88Å; Y202-N206 VanDerWaalsContact O-O 3.1Å; N206-G208 PolarHBondContact O-N 3.33Å; N206-G208 PolarHBondContact OD1-N 3.39Å; N206-E209 HydrophobicContact CB-CB 4.08Å; N206-E209 PolarHBondContact ND2-OE2 3.09Å; N206-E209 WeakPolarHBondContact O-CB 3.37Å; N206-E209 PolarHBondContact O-N 3.21Å; N206-E209 PolarHBondContact OD1-N 3.11Å; N206-L210 PolarHBondContact O-N 3.37Å; N206-N474 PolarHBondContact ND2-ND2 2.78Å; N206-N481 PolarHBondContact OD1-ND2 3.24Å
207	P	89.1	Confident	91.8	Very high	22 Å²	22	24.4 Å²	24.4	14%	0.143	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-23.3	-177.5	19.5	-31.7	0	0	0	113.3	Q71 Y202 K211	Q71-P207 HydrophobicContact CG-CB 4.16Å; Q71-P207 PolarHBondContact OE1-O 2.77Å; Y202-P207 VanDerWaalsContact O-N 3.12Å; P207-K211 WeakPolarHBondContact O-CB 3.16Å; P207-K211 PolarHBondContact O-N 3.34Å
208	G	88.3	Confident	92.1	Very high	7 Å²	7	24.2 Å²	24.2	7%	0.072	12%	0.122	C	C	.	.	H	α-helix	trans	-66.4	-37	174.8	0	0	0	0	0	113.2	N206 K211 R212 N481	N206-G208 PolarHBondContact O-N 3.33Å; N206-G208 PolarHBondContact OD1-N 3.39Å; G208-K211 WeakPolarHBondContact O-CB 3.48Å; G208-K211 PolarHBondContact O-N 3.12Å; G208-R212 WeakPolarHBondContact O-CG 3.31Å; G208-R212 PolarHBondContact O-N 2.97Å; G208-R212 VanDerWaalsContact O-N 3.09Å; G208-N481 VanDerWaalsContact CA-ND2 3.33Å; G208-N481 WeakPolarHBondContact CA-ND2 3.47Å; G208-N481 PolarHBondContact N-ND2 3.43Å
209	E	91.1	Very high	92.5	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.056	11%	0.11	C	C	.	.	H	α-helix	trans	-68	-46.4	175	-174.5	170.7	170.8	0	0	110.7	Y202 N206 K211 R212 I213 I340	Y202-E209 HydrophobicContact CD1-CB 4.42Å; Y202-E209 HydrophobicContact CD1-CG 4.2Å; Y202-E209 WeakPolarHBondContact CD1-OE2 3.43Å; Y202-E209 HydrophobicContact CD2-CG 4.38Å; Y202-E209 HydrophobicContact CE1-CG 4.32Å; Y202-E209 WeakPolarHBondContact CE1-OE1 3.37Å; Y202-E209 VanDerWaalsContact CE1-OE2 3.32Å; Y202-E209 WeakPolarHBondContact CE1-OE2 3.16Å; Y202-E209 HydrophobicContact CG-CB 4.39Å; Y202-E209 HydrophobicContact CG-CG 4.2Å; Y202-E209 PolarHBondContact OH-OE1 2.82Å; Y202-E209 VanDerWaalsContact OH-OE1 3.11Å; N206-E209 HydrophobicContact CB-CB 4.08Å; N206-E209 PolarHBondContact ND2-OE2 3.09Å; N206-E209 WeakPolarHBondContact O-CB 3.37Å; N206-E209 PolarHBondContact O-N 3.21Å; N206-E209 PolarHBondContact OD1-N 3.11Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 PolarHBondContact O-N 3.04Å; E209-R212 PolarHBondContact O-N 2.99Å; E209-I213 HydrophobicContact CG-CD1 4.34Å; E209-I213 WeakPolarHBondContact O-CG1 3.22Å; E209-I213 PolarHBondContact O-N 2.79Å; E209-I340 HydrophobicContact CB-CG2 4.35Å; E209-I340 HydrophobicContact CG-CG1 4.33Å
210	L	93.3	Very high	92.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.8	-44.4	173.2	177.7	59	0	0	0	111.6	F68 Q71 I196 A199 L203 N206 R212 I213 I214	F68-L210 HydrophobicContact CD2-CD2 4.06Å; F68-L210 HydrophobicContact CE2-CD2 4.4Å; Q71-L210 HydrophobicContact CG-CD2 4.4Å; I196-L210 HydrophobicContact CG2-CD1 4.06Å; A199-L210 HydrophobicContact CB-CD1 4.16Å; L203-L210 HydrophobicContact CB-CD2 4.04Å; L203-L210 HydrophobicContact CD1-CD2 3.76Å; L203-L210 HydrophobicContact CG-CD2 4.48Å; N206-L210 PolarHBondContact O-N 3.37Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.12Å; L210-I213 PolarHBondContact O-N 3Å; L210-I214 HydrophobicContact CD1-CD1 4.14Å; L210-I214 HydrophobicContact CD1-CG1 4.32Å; L210-I214 HydrophobicContact CG-CD1 3.94Å; L210-I214 WeakPolarHBondContact O-CG1 3.27Å; L210-I214 PolarHBondContact O-N 3.5Å
211	K	94.6	Very high	93.2	Very high	60 Å²	60	21.8 Å²	21.8	26%	0.261	11%	0.106	S	C	.	.	H	α-helix	trans	-59.4	-41	176.3	-177.8	-172.6	68.5	-175.6	0	112.1	Q71 D74 A75 P207 G208 E209 I214 I215	Q71-K211 HydrophobicContact CB-CB 4.45Å; D74-K211 HydrophobicContact CB-CD 3.89Å; A75-K211 HydrophobicContact CB-CG 4.27Å; P207-K211 WeakPolarHBondContact O-CB 3.16Å; P207-K211 PolarHBondContact O-N 3.34Å; G208-K211 WeakPolarHBondContact O-CB 3.48Å; G208-K211 PolarHBondContact O-N 3.12Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 PolarHBondContact O-N 3.04Å; K211-I214 PolarHBondContact O-N 3.35Å; K211-I215 HydrophobicContact CG-CD1 4.35Å; K211-I215 WeakPolarHBondContact O-CG1 3.48Å; K211-I215 PolarHBondContact O-N 3.36Å
212	R	95.1	Very high	93.7	Very high	28 Å²	28	15.6 Å²	15.6	11%	0.106	8%	0.079	C	C	.	.	H	α-helix	trans	-66.5	-39.3	178.1	-71.7	-59.6	-177.9	-177	-0.1	112.3	G208 E209 L210 I215 H216 V338 I340 A342 E366	G208-R212 WeakPolarHBondContact O-CG 3.31Å; G208-R212 PolarHBondContact O-N 2.97Å; G208-R212 VanDerWaalsContact O-N 3.09Å; E209-R212 PolarHBondContact O-N 2.99Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.12Å; R212-I215 WeakPolarHBondContact O-CB 3.25Å; R212-I215 PolarHBondContact O-N 3.13Å; R212-H216 PolarHBondContact O-N 3.39Å; R212-V338 HydrophobicContact CB-CG1 4.32Å; R212-I340 WeakPolarHBondContact CG-O 3.38Å; R212-A342 WeakPolarHBondContact CD-O 3.48Å; R212-A342 PolarHBondContact NE-O 3.07Å; R212-A342 PolarHBondContact NH1-O 3.3Å; R212-E366 IonicContact CZ-OE1 2.7Å; R212-E366 IonicContact CZ-OE2 2.71Å; R212-E366 IonicContact NH1-OE1 3.39Å; R212-E366 PolarHBondContact NH1-OE1 3.02Å; R212-E366 IonicContact NH1-OE2 3.52Å; R212-E366 PolarHBondContact NH1-OE2 2.86Å; R212-E366 IonicContact NH2-OE1 3.9Å; R212-E366 PolarHBondContact NH2-OE1 3Å; R212-E366 IonicContact NH2-OE2 3.56Å
213	I	95.6	Very high	94	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-60.4	-48	172.2	-63.8	161.7	0	0	0	109.9	M174 A175 A199 Y202 E209 L210 I215 H216 E217 V338	M174-I213 HydrophobicContact CE-CD1 3.42Å; M174-I213 VanDerWaalsContact CE-CD1 3.42Å; M174-I213 HydrophobicContact CE-CG1 4.33Å; M174-I213 HydrophobicContact SD-CD1 4.33Å; A175-I213 HydrophobicContact CB-CG2 3.73Å; A199-I213 HydrophobicContact CB-CD1 3.68Å; A199-I213 HydrophobicContact CB-CG2 4.28Å; Y202-I213 HydrophobicContact CD2-CD1 4.13Å; Y202-I213 HydrophobicContact CE2-CD1 4.33Å; E209-I213 HydrophobicContact CG-CD1 4.34Å; E209-I213 WeakPolarHBondContact O-CG1 3.22Å; E209-I213 PolarHBondContact O-N 2.79Å; L210-I213 PolarHBondContact O-N 3Å; I213-I215 VanDerWaalsContact C-N 3.27Å; I213-I215 PolarHBondContact O-N 3.43Å; I213-H216 WeakPolarHBondContact O-CA 3.4Å; I213-H216 VanDerWaalsContact O-CB 3.31Å; I213-H216 WeakPolarHBondContact O-CB 3.4Å; I213-H216 PolarHBondContact O-N 3.21Å; I213-E217 HydrophobicContact CG2-CG 4.28Å; I213-E217 WeakPolarHBondContact O-CG 3.42Å; I213-E217 PolarHBondContact O-N 2.83Å; I213-V338 HydrophobicContact CG1-CB 4.29Å; I213-V338 HydrophobicContact CG1-CG1 3.99Å
214	I	97.2	Very high	94.4	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-60.2	-37.2	177	-63.6	162.7	0	0	0	111.7	Q71 V72 A75 I196 L210 K211 H216 E217 L218	Q71-I214 HydrophobicContact CB-CD1 4.12Å; V72-I214 HydrophobicContact CG2-CD1 3.99Å; A75-I214 HydrophobicContact CB-CB 3.99Å; A75-I214 HydrophobicContact CB-CG2 3.55Å; I196-I214 HydrophobicContact CD1-CG1 4.03Å; L210-I214 HydrophobicContact CD1-CD1 4.14Å; L210-I214 HydrophobicContact CD1-CG1 4.32Å; L210-I214 HydrophobicContact CG-CD1 3.94Å; L210-I214 WeakPolarHBondContact O-CG1 3.27Å; L210-I214 PolarHBondContact O-N 3.5Å; K211-I214 PolarHBondContact O-N 3.35Å; I214-H216 VanDerWaalsContact C-N 3.35Å; I214-E217 PolarHBondContact O-N 2.83Å; I214-L218 HydrophobicContact CG2-CD1 3.97Å; I214-L218 HydrophobicContact CG2-CG 4.29Å; I214-L218 WeakPolarHBondContact O-CB 3.23Å; I214-L218 WeakPolarHBondContact O-CD1 3.2Å; I214-L218 WeakPolarHBondContact O-CG 3.26Å; I214-L218 PolarHBondContact O-N 3.27Å
215	I	98.3	Very high	94.7	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.015	5%	0.051	C	C	.	.	H	α-helix	trans	-62.9	-41.7	175	-69.6	172.2	0	0	0	111.1	A75 F78 W79 K211 R212 I213 G219 V333 V344	A75-I215 HydrophobicContact CB-CD1 4.48Å; A75-I215 HydrophobicContact CB-CG1 3.59Å; F78-I215 HydrophobicContact CB-CD1 4.45Å; F78-I215 HydrophobicContact CD1-CG2 4.44Å; W79-I215 HydrophobicContact CZ2-CG2 4.31Å; W79-I215 PolarHBondContact NE1-O 3.08Å; K211-I215 HydrophobicContact CG-CD1 4.35Å; K211-I215 WeakPolarHBondContact O-CG1 3.48Å; K211-I215 PolarHBondContact O-N 3.36Å; R212-I215 WeakPolarHBondContact O-CB 3.25Å; R212-I215 PolarHBondContact O-N 3.13Å; I213-I215 VanDerWaalsContact C-N 3.27Å; I213-I215 PolarHBondContact O-N 3.43Å; I215-G219 PolarHBondContact O-N 3.47Å; I215-V333 HydrophobicContact CB-CG2 4.48Å; I215-V333 HydrophobicContact CG2-CG2 3.85Å; I215-V344 HydrophobicContact CG2-CG2 3.48Å; I215-V344 VanDerWaalsContact CG2-CG2 3.48Å
216	H	97.8	Very high	94.8	Very high	8 Å²	8	10.1 Å²	10.1	4%	0.037	5%	0.049	C	C	.	.	H	α-helix	trans	-60.6	-52.9	174.3	168.5	103.6	0	0	0	111.4	R212 I213 I214 L218 G219 H220 H323 V333 S335 V338	R212-H216 PolarHBondContact O-N 3.39Å; I213-H216 WeakPolarHBondContact O-CA 3.4Å; I213-H216 VanDerWaalsContact O-CB 3.31Å; I213-H216 WeakPolarHBondContact O-CB 3.4Å; I213-H216 PolarHBondContact O-N 3.21Å; I214-H216 VanDerWaalsContact C-N 3.35Å; H216-L218 VanDerWaalsContact C-N 3.26Å; H216-L218 PolarHBondContact O-N 2.98Å; H216-G219 WeakPolarHBondContact O-CA 3.31Å; H216-G219 PolarHBondContact O-N 2.73Å; H216-H220 AromaticContact CD2-CD2 3.89Å; H216-H220 AromaticContact CD2-NE2 3.82Å; H216-H220 AromaticContact CE1-NE2 3.7Å; H216-H220 AromaticContact NE2-CD2 3.73Å; H216-H220 AromaticContact NE2-NE2 3.2Å; H216-H220 PolarHBondContact NE2-NE2 3.46Å; H216-H220 VanDerWaalsContact NE2-NE2 3.2Å; H216-H220 PolarHBondContact O-N 3.48Å; H216-H323 AromaticContact CE1-CD2 3.61Å; H216-H323 AromaticContact CE1-NE2 3.61Å; H216-H323 AromaticContact NE2-NE2 3.67Å; H216-V333 HydrophobicContact CB-CG2 4.04Å; H216-V333 PolarHBondContact ND1-O 2.82Å; H216-S335 PolarHBondContact CE1-O 3.26Å; H216-V338 HydrophobicContact CB-CG2 3.83Å
217	E	97.6	Very high	94.8	Very high	10 Å²	10	13.5 Å²	13.5	5%	0.047	6%	0.061	C	C	.	.	H	α-helix	trans	-59.4	-37.9	179.5	-63.3	-47.9	149.8	0	0	112.2	A175 A177 I194 I213 I214 G219 H220 T221	A175-E217 HydrophobicContact CB-CG 3.67Å; A175-E217 VanDerWaalsContact CB-OE1 3.31Å; A175-E217 WeakPolarHBondContact CB-OE1 3.45Å; A177-E217 HydrophobicContact CB-CB 3.98Å; A177-E217 VanDerWaalsContact CB-O 3.31Å; A177-E217 WeakPolarHBondContact CB-O 3Å; A177-E217 WeakPolarHBondContact CB-OE2 3.02Å; A177-E217 PolarHBondContact N-OE2 2.81Å; I194-E217 HydrophobicContact CD1-CB 3.64Å; I194-E217 HydrophobicContact CG1-CB 3.86Å; I194-E217 HydrophobicContact CG2-CB 3.86Å; I194-E217 HydrophobicContact CG2-CG 3.99Å; I213-E217 HydrophobicContact CG2-CG 4.28Å; I213-E217 WeakPolarHBondContact O-CG 3.42Å; I213-E217 PolarHBondContact O-N 2.83Å; I214-E217 PolarHBondContact O-N 2.83Å; E217-G219 VanDerWaalsContact C-N 3.27Å; E217-G219 PolarHBondContact O-N 2.79Å; E217-H220 WeakPolarHBondContact O-CB 3.32Å; E217-H220 PolarHBondContact O-N 3.03Å; E217-H220 IonicContact OE2-CD2 3.97Å; E217-T221 WeakPolarHBondContact O-CG2 3.22Å; E217-T221 PolarHBondContact O-N 3.49Å; E217-T221 VanDerWaalsContact O-N 3.08Å
218	L	98.6	Very high	95	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.1	-36.5	173.1	-76.8	169	0	0	0	112.2	A75 L76 W79 L160 I194 I214 H216 H220 T221 F222	A75-L218 HydrophobicContact CB-CD1 3.93Å; L76-L218 HydrophobicContact CD2-CD1 3.84Å; L76-L218 HydrophobicContact CD2-CD2 3.66Å; L76-L218 HydrophobicContact CD2-CG 4.45Å; L76-L218 HydrophobicContact CG-CD1 3.96Å; L76-L218 HydrophobicContact CG-CD2 4.38Å; W79-L218 HydrophobicContact CG-CB 4.45Å; L160-L218 HydrophobicContact CD1-CD2 3.98Å; L160-L218 HydrophobicContact CD2-CD2 3.66Å; L160-L218 HydrophobicContact CG-CD2 4.45Å; I194-L218 HydrophobicContact CD1-CD2 3.91Å; I194-L218 HydrophobicContact CD1-CG 3.93Å; I214-L218 HydrophobicContact CG2-CD1 3.97Å; I214-L218 HydrophobicContact CG2-CG 4.29Å; I214-L218 WeakPolarHBondContact O-CB 3.23Å; I214-L218 WeakPolarHBondContact O-CD1 3.2Å; I214-L218 WeakPolarHBondContact O-CG 3.26Å; I214-L218 PolarHBondContact O-N 3.27Å; H216-L218 VanDerWaalsContact C-N 3.26Å; H216-L218 PolarHBondContact O-N 2.98Å; L218-H220 VanDerWaalsContact C-N 3.33Å; L218-H220 PolarHBondContact O-N 3.31Å; L218-T221 WeakPolarHBondContact CA-OG1 3.35Å; L218-T221 PolarHBondContact O-N 2.9Å; L218-T221 PolarHBondContact O-OG1 2.86Å; L218-F222 HydrophobicContact CB-CD2 4.33Å; L218-F222 HydrophobicContact CB-CE2 3.93Å; L218-F222 HydrophobicContact CD2-CE2 4.17Å; L218-F222 HydrophobicContact CD2-CZ 3.95Å; L218-F222 WeakPolarHBondContact O-CB 3Å; L218-F222 WeakPolarHBondContact O-CD2 3.41Å; L218-F222 VanDerWaalsContact O-CG 3.25Å; L218-F222 WeakPolarHBondContact O-CG 3.11Å; L218-F222 PolarHBondContact O-N 3.43Å
219	G	98.3	Very high	95.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-56.1	-45.6	174.1	0	0	0	0	0	112.4	I215 H216 E217 F222 G223 F224 F352	I215-G219 PolarHBondContact O-N 3.47Å; H216-G219 WeakPolarHBondContact O-CA 3.31Å; H216-G219 PolarHBondContact O-N 2.73Å; E217-G219 VanDerWaalsContact C-N 3.27Å; E217-G219 PolarHBondContact O-N 2.79Å; G219-F222 PolarHBondContact O-N 3.05Å; G219-G223 PolarHBondContact O-N 3.36Å; G219-F224 PolarHBondContact O-N 3.31Å; G219-F352 WeakPolarHBondContact O-CZ 3.43Å
220	H	97.3	Very high	95.3	Very high	11 Å²	11	11.8 Å²	11.8	5%	0.051	5%	0.05	C	C	.	.	H	α-helix	trans	-61.2	-51.2	172.5	-68.1	-58.2	0	0	0	111.8	A177 H216 E217 L218 F222 G223 F224 S322 H323 M334	A177-H220 HydrophobicContact CB-CB 3.72Å; H216-H220 AromaticContact CD2-CD2 3.89Å; H216-H220 AromaticContact CD2-NE2 3.82Å; H216-H220 AromaticContact CE1-NE2 3.7Å; H216-H220 AromaticContact NE2-CD2 3.73Å; H216-H220 AromaticContact NE2-NE2 3.2Å; H216-H220 PolarHBondContact NE2-NE2 3.46Å; H216-H220 VanDerWaalsContact NE2-NE2 3.2Å; H216-H220 PolarHBondContact O-N 3.48Å; E217-H220 WeakPolarHBondContact O-CB 3.32Å; E217-H220 PolarHBondContact O-N 3.03Å; E217-H220 IonicContact OE2-CD2 3.97Å; L218-H220 VanDerWaalsContact C-N 3.33Å; L218-H220 PolarHBondContact O-N 3.31Å; H220-F222 PolarHBondContact O-N 3.44Å; H220-G223 PolarHBondContact O-N 2.9Å; H220-F224 PolarHBondContact ND1-O 2.83Å; H220-S322 PolarHBondContact CE1-O 2.89Å; H220-H323 AromaticContact CE1-CD2 3.67Å; H220-H323 AromaticContact CE1-NE2 3.4Å; H220-H323 PolarHBondContact CE1-NE2 3.17Å; H220-H323 AromaticContact NE2-CD2 3.73Å; H220-H323 AromaticContact NE2-NE2 3.21Å; H220-H323 PolarHBondContact NE2-NE2 2.98Å; H220-M334 VanDerWaalsContact CE1-CE 3.44Å; H220-M334 WeakPolarHBondContact CE1-CE 3.29Å
221	T	98.2	Very high	95.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.6	-26.8	-178.4	67.4	0	0	0	0	113.8	F158 L160 A177 T179 P189 I194 E217 L218	F158-T221 WeakPolarHBondContact CZ-O 3.4Å; L160-T221 HydrophobicContact CD1-CG2 4.08Å; A177-T221 HydrophobicContact CB-CG2 3.9Å; T179-T221 PolarHBondContact OG1-O 3.3Å; P189-T221 WeakPolarHBondContact CB-O 3.18Å; I194-T221 HydrophobicContact CD1-CG2 4.24Å; I194-T221 HydrophobicContact CG1-CG2 3.78Å; E217-T221 WeakPolarHBondContact O-CG2 3.22Å; E217-T221 PolarHBondContact O-N 3.49Å; E217-T221 VanDerWaalsContact O-N 3.08Å; L218-T221 WeakPolarHBondContact CA-OG1 3.35Å; L218-T221 PolarHBondContact O-N 2.9Å; L218-T221 PolarHBondContact O-OG1 2.86Å
222	F	98.4	Very high	95.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-89.7	-7.7	178.1	-64	-33.3	0	0	0	114.1	F49 V51 L76 W79 I83 F158 L218 G219 H220 F352 Y358	F49-F222 HydrophobicContact CE1-CD1 4.33Å; F49-F222 AromaticContact CE1-CE1 3.98Å; F49-F222 HydrophobicContact CE1-CE1 3.98Å; F49-F222 HydrophobicContact CE1-CE2 4.43Å; F49-F222 HydrophobicContact CE1-CZ 4.03Å; F49-F222 HydrophobicContact CZ-CD1 4.1Å; F49-F222 AromaticContact CZ-CE1 3.73Å; F49-F222 HydrophobicContact CZ-CE1 3.73Å; F49-F222 HydrophobicContact CZ-CZ 4.21Å; V51-F222 HydrophobicContact CG2-CZ 4.49Å; L76-F222 HydrophobicContact CD2-CZ 4.2Å; W79-F222 HydrophobicContact CB-CE2 3.73Å; W79-F222 HydrophobicContact CD2-CD2 4.07Å; W79-F222 HydrophobicContact CD2-CE2 4.03Å; W79-F222 HydrophobicContact CE3-CD2 4.26Å; W79-F222 HydrophobicContact CG-CD2 4.22Å; W79-F222 AromaticContact CG-CE2 3.68Å; W79-F222 HydrophobicContact CG-CE2 3.68Å; I83-F222 HydrophobicContact CD1-CB 4.42Å; I83-F222 HydrophobicContact CD1-CD2 3.97Å; I83-F222 HydrophobicContact CD1-CG 4.29Å; F158-F222 HydrophobicContact CD1-CE1 4.01Å; F158-F222 HydrophobicContact CD2-CD1 4.09Å; F158-F222 HydrophobicContact CD2-CE1 4.07Å; F158-F222 HydrophobicContact CE1-CD1 4.46Å; F158-F222 HydrophobicContact CE1-CE1 4.03Å; F158-F222 AromaticContact CE2-CD1 3.84Å; F158-F222 HydrophobicContact CE2-CD1 3.84Å; F158-F222 HydrophobicContact CE2-CE1 4.1Å; F158-F222 HydrophobicContact CG-CE1 4.03Å; F158-F222 HydrophobicContact CZ-CD1 4.04Å; F158-F222 HydrophobicContact CZ-CE1 4.07Å; L218-F222 HydrophobicContact CB-CD2 4.33Å; L218-F222 HydrophobicContact CB-CE2 3.93Å; L218-F222 HydrophobicContact CD2-CE2 4.17Å; L218-F222 HydrophobicContact CD2-CZ 3.95Å; L218-F222 WeakPolarHBondContact O-CB 3Å; L218-F222 WeakPolarHBondContact O-CD2 3.41Å; L218-F222 VanDerWaalsContact O-CG 3.25Å; L218-F222 WeakPolarHBondContact O-CG 3.11Å; L218-F222 PolarHBondContact O-N 3.43Å; G219-F222 PolarHBondContact O-N 3.05Å; H220-F222 PolarHBondContact O-N 3.44Å; F222-F352 HydrophobicContact CB-CE1 3.63Å; F222-F352 HydrophobicContact CB-CZ 4.18Å; F222-Y358 WeakPolarHBondContact O-CE2 3.43Å; F222-Y358 PolarHBondContact O-OH 3.5Å; F222-Y358 VanDerWaalsContact O-OH 3.09Å
223	G	96.6	Very high	95.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	136.4	-4.5	169.7	0	0	0	0	0	118.1	G219 H220 D225 F351	G219-G223 PolarHBondContact O-N 3.36Å; H220-G223 PolarHBondContact O-N 2.9Å; G223-D225 PolarHBondContact O-N 2.82Å; G223-F351 WeakPolarHBondContact O-CZ 3.3Å
224	F	96.9	Very high	95.6	Very high	0 Å²	0	15 Å²	15	0%	0	6%	0.061	C	C	.	.			trans	-76.6	76.4	175.4	-158.5	-64.1	0	0	0	109.2	G219 H220 L288 L311 S322 F324 M334 F351 F352	G219-F224 PolarHBondContact O-N 3.31Å; H220-F224 PolarHBondContact ND1-O 2.83Å; F224-L288 HydrophobicContact CZ-CD1 4.37Å; F224-L311 HydrophobicContact CE1-CD2 4.49Å; F224-L311 HydrophobicContact CZ-CD2 4.43Å; F224-S322 WeakPolarHBondContact CD1-O 3.46Å; F224-S322 VanDerWaalsContact CE1-O 3.29Å; F224-S322 WeakPolarHBondContact CE1-O 3.15Å; F224-F324 HydrophobicContact CE2-CD2 4.25Å; F224-F324 AromaticContact CE2-CE1 3.93Å; F224-F324 HydrophobicContact CE2-CE1 3.93Å; F224-F324 AromaticContact CE2-CE2 3.56Å; F224-F324 HydrophobicContact CE2-CE2 3.56Å; F224-F324 AromaticContact CE2-CZ 3.38Å; F224-F324 HydrophobicContact CE2-CZ 3.38Å; F224-F324 AromaticContact CZ-CD1 3.96Å; F224-F324 HydrophobicContact CZ-CD1 3.96Å; F224-F324 HydrophobicContact CZ-CD2 4.02Å; F224-F324 AromaticContact CZ-CE1 3.72Å; F224-F324 HydrophobicContact CZ-CE1 3.72Å; F224-F324 AromaticContact CZ-CE2 3.76Å; F224-F324 HydrophobicContact CZ-CE2 3.76Å; F224-F324 HydrophobicContact CZ-CG 4.11Å; F224-F324 AromaticContact CZ-CZ 3.61Å; F224-F324 HydrophobicContact CZ-CZ 3.61Å; F224-M334 HydrophobicContact CB-CE 3.8Å; F224-M334 HydrophobicContact CB-SD 4.45Å; F224-M334 HydrophobicContact CD1-CE 3.74Å; F224-M334 HydrophobicContact CD2-CB 4.38Å; F224-M334 HydrophobicContact CD2-CE 4.42Å; F224-M334 HydrophobicContact CD2-CG 3.91Å; F224-M334 HydrophobicContact CE1-CB 4.47Å; F224-M334 HydrophobicContact CE1-CE 4.47Å; F224-M334 HydrophobicContact CE2-CB 4.2Å; F224-M334 HydrophobicContact CE2-CG 4.17Å; F224-M334 HydrophobicContact CG-CE 3.73Å; F224-M334 HydrophobicContact CG-CG 4.17Å; F224-M334 HydrophobicContact CG-SD 4.45Å; F224-M334 HydrophobicContact CZ-CB 4.25Å; F224-F351 HydrophobicContact CB-CD1 4.24Å; F224-F351 HydrophobicContact CB-CE1 3.76Å; F224-F351 HydrophobicContact CB-CZ 4.24Å; F224-F351 HydrophobicContact CD2-CB 4.17Å; F224-F351 AromaticContact CD2-CD1 3.32Å; F224-F351 HydrophobicContact CD2-CD1 3.32Å; F224-F351 AromaticContact CD2-CD2 3.92Å; F224-F351 HydrophobicContact CD2-CD2 3.92Å; F224-F351 AromaticContact CD2-CE1 3.59Å; F224-F351 HydrophobicContact CD2-CE1 3.59Å; F224-F351 HydrophobicContact CD2-CE2 4.15Å; F224-F351 AromaticContact CD2-CG 3.51Å; F224-F351 HydrophobicContact CD2-CG 3.51Å; F224-F351 HydrophobicContact CD2-CZ 4.01Å; F224-F351 HydrophobicContact CE2-CB 4.01Å; F224-F351 AromaticContact CE2-CD1 3.97Å; F224-F351 HydrophobicContact CE2-CD1 3.97Å; F224-F351 AromaticContact CE2-CD2 3.81Å; F224-F351 HydrophobicContact CE2-CD2 3.81Å; F224-F351 HydrophobicContact CE2-CE1 4.44Å; F224-F351 HydrophobicContact CE2-CE2 4.29Å; F224-F351 AromaticContact CE2-CG 3.64Å; F224-F351 HydrophobicContact CE2-CG 3.64Å; F224-F351 HydrophobicContact CG-CD1 4.12Å; F224-F351 AromaticContact CG-CE1 3.92Å; F224-F351 HydrophobicContact CG-CE1 3.92Å; F224-F351 HydrophobicContact CG-CZ 4.16Å; F224-F352 HydrophobicContact CB-CZ 4.29Å
225	D	92.3	Very high	95.5	Very high	14 Å²	14	20 Å²	20	8%	0.075	9%	0.088	C	C	.	.	S	Bend	trans	-151.3	137.4	178.7	-156.7	-32.6	0	0	0	110.3	G223 W227 L228 F229 S322	G223-D225 PolarHBondContact O-N 2.82Å; D225-W227 PolarHBondContact O-N 3.16Å; D225-W227 PolarHBondContact OD1-NE1 3.05Å; D225-W227 PolarHBondContact OD2-NE1 3.27Å; D225-L228 HydrophobicContact CB-CD1 4.31Å; D225-L228 WeakPolarHBondContact O-CA 3.36Å; D225-L228 WeakPolarHBondContact O-CB 3.4Å; D225-L228 PolarHBondContact O-N 2.9Å; D225-F229 WeakPolarHBondContact O-CD1 3.42Å; D225-F229 VanDerWaalsContact O-CE1 3.26Å; D225-F229 WeakPolarHBondContact O-CE1 3.33Å; D225-F229 PolarHBondContact O-N 2.97Å; D225-S322 PolarHBondContact OD1-OG 3.15Å
226	Y	89	Confident	95.3	Very high	30 Å²	30	25.9 Å²	25.9	12%	0.118	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.8	-175.3	172.9	-98.4	0	0	0	113.7	L228 F229 L260 K261 I267 L321 S322	Y226-L228 PolarHBondContact O-N 3.26Å; Y226-F229 AromaticContact CD2-CD2 3.93Å; Y226-F229 HydrophobicContact CD2-CD2 3.93Å; Y226-F229 HydrophobicContact CD2-CE2 4.1Å; Y226-F229 WeakPolarHBondContact O-CB 3.43Å; Y226-F229 PolarHBondContact O-N 3.23Å; Y226-L260 HydrophobicContact CE2-CD2 4.02Å; Y226-L260 WeakPolarHBondContact OH-CA 3.49Å; Y226-L260 VanDerWaalsContact OH-CD2 3.28Å; Y226-L260 WeakPolarHBondContact OH-CD2 3.13Å; Y226-K261 HydrophobicContact CE1-CB 4.31Å; Y226-K261 HydrophobicContact CE1-CD 4.03Å; Y226-K261 HydrophobicContact CE1-CG 4.04Å; Y226-K261 PolarHBondContact OH-N 3.01Å; Y226-K261 VanDerWaalsContact OH-N 3.08Å; Y226-I267 HydrophobicContact CD2-CD1 3.89Å; Y226-I267 HydrophobicContact CE2-CD1 3.72Å; Y226-L321 HydrophobicContact CD2-CB 3.42Å; Y226-L321 VanDerWaalsContact CD2-CB 3.42Å; Y226-L321 HydrophobicContact CD2-CD1 3.59Å; Y226-L321 HydrophobicContact CD2-CG 4.15Å; Y226-L321 HydrophobicContact CE2-CB 4.1Å; Y226-L321 HydrophobicContact CE2-CD1 3.32Å; Y226-L321 HydrophobicContact CE2-CG 4.35Å; Y226-L321 HydrophobicContact CG-CB 3.86Å; Y226-L321 HydrophobicContact CG-CD1 4.35Å; Y226-S322 WeakPolarHBondContact CB-OG 3.01Å; Y226-S322 PolarHBondContact N-OG 2.98Å; Y226-S322 VanDerWaalsContact N-OG 3.09Å
227	W	86.9	Confident	95.2	Very high	73 Å²	73	26.5 Å²	26.5	28%	0.277	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.1	179.7	67.8	-91.8	0	0	0	113.6	T179 D225 P230	T179-W227 HydrophobicContact CG2-CH2 3.91Å; T179-W227 HydrophobicContact CG2-CZ2 4.3Å; D225-W227 PolarHBondContact O-N 3.16Å; D225-W227 PolarHBondContact OD1-NE1 3.05Å; D225-W227 PolarHBondContact OD2-NE1 3.27Å; W227-P230 VanDerWaalsContact O-CD 3.25Å; W227-P230 WeakPolarHBondContact O-CD 3.4Å
228	L	92.8	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.4	174.9	-75.3	174.9	0	0	0	113.2	T179 P189 D225 Y226 P230 Y231 L232 W357	T179-L228 HydrophobicContact CG2-CD1 4.4Å; P189-L228 HydrophobicContact CG-CD1 3.77Å; D225-L228 HydrophobicContact CB-CD1 4.31Å; D225-L228 WeakPolarHBondContact O-CA 3.36Å; D225-L228 WeakPolarHBondContact O-CB 3.4Å; D225-L228 PolarHBondContact O-N 2.9Å; Y226-L228 PolarHBondContact O-N 3.26Å; L228-P230 VanDerWaalsContact C-N 3.32Å; L228-Y231 HydrophobicContact CD2-CD2 4.48Å; L228-Y231 WeakPolarHBondContact O-CA 3.1Å; L228-Y231 VanDerWaalsContact O-CB 3.3Å; L228-Y231 WeakPolarHBondContact O-CB 3.27Å; L228-Y231 PolarHBondContact O-N 3.31Å; L228-L232 PolarHBondContact O-N 2.82Å; L228-W357 HydrophobicContact CB-CH2 4.22Å
229	F	93.6	Very high	94.9	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-54.3	-36.8	173.8	-61.7	-10.5	0	0	0	115.1	D225 Y226 Y231 L232 A262 T266 I267 L288 L311 F351	D225-F229 WeakPolarHBondContact O-CD1 3.42Å; D225-F229 VanDerWaalsContact O-CE1 3.26Å; D225-F229 WeakPolarHBondContact O-CE1 3.33Å; D225-F229 PolarHBondContact O-N 2.97Å; Y226-F229 AromaticContact CD2-CD2 3.93Å; Y226-F229 HydrophobicContact CD2-CD2 3.93Å; Y226-F229 HydrophobicContact CD2-CE2 4.1Å; Y226-F229 WeakPolarHBondContact O-CB 3.43Å; Y226-F229 PolarHBondContact O-N 3.23Å; F229-Y231 PolarHBondContact O-N 3.2Å; F229-Y231 VanDerWaalsContact O-N 3.17Å; F229-L232 WeakPolarHBondContact O-CG 3.16Å; F229-L232 PolarHBondContact O-N 2.89Å; F229-A262 HydrophobicContact CB-CB 4.14Å; F229-T266 HydrophobicContact CB-CG2 3.98Å; F229-I267 HydrophobicContact CD2-CD1 3.76Å; F229-I267 HydrophobicContact CE2-CD1 4.05Å; F229-L288 HydrophobicContact CD2-CD2 4.12Å; F229-L288 HydrophobicContact CE2-CD2 3.83Å; F229-L288 HydrophobicContact CZ-CD2 4.07Å; F229-L311 HydrophobicContact CE2-CD1 3.73Å; F229-L311 HydrophobicContact CZ-CD1 4.44Å; F229-F351 HydrophobicContact CD1-CE2 4.09Å; F229-F351 HydrophobicContact CD1-CZ 4.17Å; F229-F351 AromaticContact CE1-CE2 3.56Å; F229-F351 HydrophobicContact CE1-CE2 3.56Å; F229-F351 AromaticContact CE1-CZ 3.68Å; F229-F351 HydrophobicContact CE1-CZ 3.68Å; F229-F351 HydrophobicContact CZ-CE2 4.33Å
230	P	92.1	Very high	94.7	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.026	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.5	175	-17.7	31.7	0	0	0	112	W227 L228 T241 R243 P250 K261 A262	W227-P230 VanDerWaalsContact O-CD 3.25Å; W227-P230 WeakPolarHBondContact O-CD 3.4Å; L228-P230 VanDerWaalsContact C-N 3.32Å; P230-T241 VanDerWaalsContact O-CB 3.29Å; P230-T241 WeakPolarHBondContact O-CB 3.01Å; P230-T241 PolarHBondContact O-OG1 2.8Å; P230-R243 PolarHBondContact O-NH1 3.47Å; P230-P250 HydrophobicContact CB-CB 3.83Å; P230-P250 HydrophobicContact CB-CG 3.66Å; P230-K261 WeakPolarHBondContact CB-O 3.15Å; P230-K261 HydrophobicContact CG-CB 3.6Å; P230-K261 WeakPolarHBondContact CG-O 3.42Å; P230-A262 HydrophobicContact CB-CB 4.15Å; P230-A262 HydrophobicContact CG-CB 4Å
231	Y	94.3	Very high	94.4	Very high	34 Å²	34	31.1 Å²	31.1	13%	0.133	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-91.3	-6.2	-174.1	-70.8	-80.7	0	0	0	113.8	K182 D187 L228 F229 R243 P250	K182-Y231 HydrophobicContact CD-CD1 4.17Å; K182-Y231 HydrophobicContact CD-CE1 4.19Å; D187-Y231 HydrophobicContact CB-CD1 4.16Å; D187-Y231 WeakPolarHBondContact CB-O 3.41Å; L228-Y231 HydrophobicContact CD2-CD2 4.48Å; L228-Y231 WeakPolarHBondContact O-CA 3.1Å; L228-Y231 VanDerWaalsContact O-CB 3.3Å; L228-Y231 WeakPolarHBondContact O-CB 3.27Å; L228-Y231 PolarHBondContact O-N 3.31Å; F229-Y231 PolarHBondContact O-N 3.2Å; F229-Y231 VanDerWaalsContact O-N 3.17Å; Y231-R243 PolarHBondContact O-NH2 3.18Å; Y231-P250 HydrophobicContact CD1-CG 4.08Å; Y231-P250 HydrophobicContact CD2-CG 4.3Å; Y231-P250 HydrophobicContact CE1-CG 3.68Å; Y231-P250 HydrophobicContact CE2-CG 3.93Å; Y231-P250 HydrophobicContact CG-CG 4.38Å
232	L	96.5	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.			trans	-61.9	154.8	179	-56.1	-172.6	0	0	0	112.5	L228 F229 R240 T266 L290 F351 T355 W357	L228-L232 PolarHBondContact O-N 2.82Å; F229-L232 WeakPolarHBondContact O-CG 3.16Å; F229-L232 PolarHBondContact O-N 2.89Å; L232-R240 WeakPolarHBondContact O-CB 3.5Å; L232-R240 PolarHBondContact O-N 3.29Å; L232-T266 HydrophobicContact CD1-CG2 3.83Å; L232-L290 HydrophobicContact CD1-CD1 3.91Å; L232-L290 HydrophobicContact CD1-CD2 4.05Å; L232-F351 HydrophobicContact CD1-CE2 4.5Å; L232-T355 HydrophobicContact CD2-CG2 3.88Å; L232-W357 HydrophobicContact CD2-CE3 4.42Å; L232-W357 HydrophobicContact CD2-CH2 3.47Å; L232-W357 VanDerWaalsContact CD2-CH2 3.47Å; L232-W357 HydrophobicContact CD2-CZ2 3.79Å; L232-W357 HydrophobicContact CD2-CZ3 3.8Å
233	R	97.2	Very high	93.6	Very high	34 Å²	34	41.3 Å²	41.3	13%	0.128	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-126	160	-177.7	-68.3	178.4	174.5	-111.2	9.3	111.2	D185 T186 D187 G237 S238 R240 T355 G356	D185-R233 PolarHBondContact O-NH2 2.78Å; T186-R233 WeakPolarHBondContact O-CD 3.33Å; T186-R233 PolarHBondContact O-NE 3.05Å; D187-R233 IonicContact OD1-NH2 3.41Å; D187-R233 IonicContact OD2-CZ 2.83Å; D187-R233 IonicContact OD2-NE 2.81Å; D187-R233 PolarHBondContact OD2-NE 2.73Å; D187-R233 IonicContact OD2-NH2 3.89Å; D187-R233 PolarHBondContact OD2-NH2 3.17Å; R233-G237 WeakPolarHBondContact CD-O 3.31Å; R233-G237 PolarHBondContact NH1-O 3.18Å; R233-S238 CarbonylContact C-O 3.53Å; R233-S238 VanDerWaalsContact CA-O 3.22Å; R233-S238 WeakPolarHBondContact CA-O 3.27Å; R233-S238 WeakPolarHBondContact CB-O 3.4Å; R233-R240 PolarHBondContact O-NE 3.43Å; R233-R240 VanDerWaalsContact O-NE 3.07Å; R233-T355 PolarHBondContact N-O 3.06Å; R233-T355 CarbonylContact O-C 2.89Å; R233-G356 WeakPolarHBondContact O-CA 3.32Å; R233-G356 PolarHBondContact O-N 2.79Å
234	Y	97.3	Very high	93.2	Very high	88 Å²	88	43 Å²	43	35%	0.345	21%	0.205	S	C	.	.			trans	-72.9	169.2	164.6	-66	-73.1	0	0	0	110.1	D236 G237 S238 R240 N265	Y234-D236 WeakPolarHBondContact CB-OD1 3.21Å; Y234-D236 PolarHBondContact O-N 2.88Å; Y234-G237 WeakPolarHBondContact O-CA 3.27Å; Y234-G237 PolarHBondContact O-N 3.48Å; Y234-S238 WeakPolarHBondContact CD2-OG 3.3Å; Y234-S238 PolarHBondContact N-O 3.11Å; Y234-R240 HydrophobicContact CD1-CG 4.1Å; Y234-R240 HydrophobicContact CD2-CG 3.93Å; Y234-R240 HydrophobicContact CE1-CG 4Å; Y234-R240 HydrophobicContact CE2-CB 4.34Å; Y234-R240 HydrophobicContact CE2-CG 3.84Å; Y234-R240 HydrophobicContact CG-CG 4.07Å; Y234-N265 PolarHBondContact OH-ND2 2Å
235	D	94.8	Very high	92.9	Very high	111 Å²	111	47.6 Å²	47.6	59%	0.594	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27	-176.4	-168.3	57.8	0	0	0	113.2	K86 G237	K86-D235 WeakPolarHBondContact CE-OD1 3.45Å; K86-D235 IonicContact NZ-OD1 3.07Å; K86-D235 PolarHBondContact NZ-OD1 3.39Å; D235-G237 PolarHBondContact O-N 2.88Å
236	D	95.6	Very high	92.8	Very high	125 Å²	125	52.6 Å²	52.6	67%	0.668	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-4.6	173.5	69	-4.5	0	0	0	113.6	Y234 S238	Y234-D236 WeakPolarHBondContact CB-OD1 3.21Å; Y234-D236 PolarHBondContact O-N 2.88Å; D236-S238 VanDerWaalsContact OD1-CB 3.31Å; D236-S238 WeakPolarHBondContact OD1-CB 3.2Å; D236-S238 PolarHBondContact OD1-N 3.09Å; D236-S238 PolarHBondContact OD1-OG 3.46Å; D236-S238 PolarHBondContact OD2-OG 2.96Å
237	G	95.2	Very high	92.9	Very high	21 Å²	21	52.2 Å²	52.2	22%	0.216	26%	0.259	C	S	.	.	S	Bend	trans	85.8	4.6	-178	0	0	0	0	0	114.7	R233 Y234 D235	R233-G237 WeakPolarHBondContact CD-O 3.31Å; R233-G237 PolarHBondContact NH1-O 3.18Å; Y234-G237 WeakPolarHBondContact O-CA 3.27Å; Y234-G237 PolarHBondContact O-N 3.48Å; D235-G237 PolarHBondContact O-N 2.88Å
238	S	95.7	Very high	93	Very high	44 Å²	44	49.9 Å²	49.9	31%	0.308	26%	0.257	S	S	.	.			trans	-72.2	143.4	172.9	62.4	0	0	0	0	111.5	R233 Y234 D236	R233-S238 CarbonylContact C-O 3.53Å; R233-S238 VanDerWaalsContact CA-O 3.22Å; R233-S238 WeakPolarHBondContact CA-O 3.27Å; R233-S238 WeakPolarHBondContact CB-O 3.4Å; Y234-S238 WeakPolarHBondContact CD2-OG 3.3Å; Y234-S238 PolarHBondContact N-O 3.11Å; D236-S238 VanDerWaalsContact OD1-CB 3.31Å; D236-S238 WeakPolarHBondContact OD1-CB 3.2Å; D236-S238 PolarHBondContact OD1-N 3.09Å; D236-S238 PolarHBondContact OD1-OG 3.46Å; D236-S238 PolarHBondContact OD2-OG 2.96Å
239	P	94.5	Very high	92.8	Very high	48 Å²	48	52.4 Å²	52.4	31%	0.312	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-63.2	137.3	178.8	-23	34.6	0	0	0	113.3	T241 R243	P239-T241 WeakPolarHBondContact CB-O 3.33Å; P239-R243 HydrophobicContact CB-CG 3.77Å; P239-R243 HydrophobicContact CG-CG 3.66Å
240	R	93.3	Very high	92.6	Very high	25 Å²	25	53.8 Å²	53.8	9%	0.094	28%	0.278	C	S	.	.	S	Bend	trans	-76.5	-38.5	172.6	-76.9	171.6	170.1	-86.9	3.8	112.9	L232 R233 Y234 N265 D354	L232-R240 WeakPolarHBondContact O-CB 3.5Å; L232-R240 PolarHBondContact O-N 3.29Å; R233-R240 PolarHBondContact O-NE 3.43Å; R233-R240 VanDerWaalsContact O-NE 3.07Å; Y234-R240 HydrophobicContact CD1-CG 4.1Å; Y234-R240 HydrophobicContact CD2-CG 3.93Å; Y234-R240 HydrophobicContact CE1-CG 4Å; Y234-R240 HydrophobicContact CE2-CB 4.34Å; Y234-R240 HydrophobicContact CE2-CG 3.84Å; Y234-R240 HydrophobicContact CG-CG 4.07Å; R240-N265 PolarHBondContact NH1-O 2.85Å; R240-N265 PolarHBondContact O-ND2 2.77Å; R240-D354 PolarHBondContact NE-O 2.56Å; R240-D354 PolarHBondContact NH2-O 2.78Å
241	T	91.6	Very high	91.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.29	C	S	.	.	S	Bend	trans	-94.8	134.3	172.5	-55.7	0	0	0	0	108.6	P230 P239 R243 P250 D263	P230-T241 VanDerWaalsContact O-CB 3.29Å; P230-T241 WeakPolarHBondContact O-CB 3.01Å; P230-T241 PolarHBondContact O-OG1 2.8Å; P239-T241 WeakPolarHBondContact CB-O 3.33Å; T241-R243 PolarHBondContact O-N 2.75Å; T241-P250 HydrophobicContact CG2-CB 3.78Å; T241-D263 PolarHBondContact OG1-N 3.01Å
242	R	88.9	Confident	90.6	Very high	182 Å²	182	58.7 Å²	58.7	69%	0.687	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-51	137.5	176.6	-179.6	178.1	171.3	163.3	2.6	110.2	P250 E251	R242-P250 CarbonylContact O-C 3.59Å; R242-P250 WeakPolarHBondContact O-CA 3.33Å; R242-E251 IonicContact NE-OE2 2.65Å; R242-E251 PolarHBondContact O-N 2.64Å
243	R	90	Very high	88.5	Confident	32 Å²	32	61.7 Å²	61.7	12%	0.121	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-102.8	144	177.7	-59.9	-56.3	-161.4	-139.4	-12	111.2	D187 P230 Y231 P239 T241 P245 G248 E249 P250	D187-R243 IonicContact OD2-CZ 3.17Å; D187-R243 IonicContact OD2-NE 3.96Å; D187-R243 IonicContact OD2-NH2 3.9Å; D187-R243 PolarHBondContact OD2-NH2 3.49Å; P230-R243 PolarHBondContact O-NH1 3.47Å; Y231-R243 PolarHBondContact O-NH2 3.18Å; P239-R243 HydrophobicContact CB-CG 3.77Å; P239-R243 HydrophobicContact CG-CG 3.66Å; T241-R243 PolarHBondContact O-N 2.75Å; R243-P245 WeakPolarHBondContact O-CD 3.23Å; R243-G248 WeakPolarHBondContact CD-O 3.49Å; R243-G248 PolarHBondContact NE-O 3.25Å; R243-E249 CarbonylContact C-O 3.52Å; R243-E249 VanDerWaalsContact CA-O 3.26Å; R243-E249 WeakPolarHBondContact CA-O 3.18Å; R243-P250 VanDerWaalsContact NH1-CD 3.28Å
244	N	89.5	Confident	86.2	Confident	35 Å²	35	69.7 Å²	69.7	19%	0.187	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-64	122.6	162.9	179.9	-80	0	0	0	108.3	Q246 T247 G248 E249 E251	N244-Q246 PolarHBondContact O-N 2.8Å; N244-Q246 WeakPolarHBondContact OD1-CA 3.3Å; N244-Q246 VanDerWaalsContact OD1-CB 3.31Å; N244-Q246 WeakPolarHBondContact OD1-CB 3.21Å; N244-Q246 PolarHBondContact OD1-N 3.35Å; N244-Q246 PolarHBondContact OD1-OE1 3.24Å; N244-T247 WeakPolarHBondContact CB-OG1 3.27Å; N244-T247 PolarHBondContact OD1-N 3.35Å; N244-T247 PolarHBondContact OD1-OG1 2.84Å; N244-G248 VanDerWaalsContact O-CA 3.31Å; N244-G248 WeakPolarHBondContact O-CA 3.25Å; N244-G248 PolarHBondContact O-N 3.37Å; N244-E249 PolarHBondContact N-O 2.85Å; N244-E251 VanDerWaalsContact CA-CD 3.48Å; N244-E251 WeakPolarHBondContact CA-OE1 3.32Å; N244-E251 HydrophobicContact CB-CG 3.62Å; N244-E251 VanDerWaalsContact CB-OE1 3.25Å; N244-E251 WeakPolarHBondContact CB-OE1 3.47Å; N244-E251 PolarHBondContact ND2-OE1 3.21Å
245	P	90.5	Very high	83.6	Confident	98 Å²	98	74 Å²	74	64%	0.636	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.5	-176.3	-26.5	35.4	0	0	0	114.3	R243	R243-P245 WeakPolarHBondContact O-CD 3.23Å
246	Q	89.9	Confident	81.3	Confident	118 Å²	118	71.6 Å²	71.6	55%	0.551	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-49.6	-177.8	-62	78.8	0.6	0	0	111.6	P109 N244	P109-Q246 HydrophobicContact CB-CB 4.3Å; P109-Q246 HydrophobicContact CG-CB 4.33Å; N244-Q246 PolarHBondContact O-N 2.8Å; N244-Q246 WeakPolarHBondContact OD1-CA 3.3Å; N244-Q246 VanDerWaalsContact OD1-CB 3.31Å; N244-Q246 WeakPolarHBondContact OD1-CB 3.21Å; N244-Q246 PolarHBondContact OD1-N 3.35Å; N244-Q246 PolarHBondContact OD1-OE1 3.24Å
247	T	90.2	Very high	78.7	Confident	23 Å²	23	67.1 Å²	67.1	14%	0.141	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-21.7	-175.1	72.5	0	0	0	0	113.6	P109 R110 N244 E249	P109-T247 HydrophobicContact CB-CG2 3.99Å; R110-T247 WeakPolarHBondContact CG-O 3.47Å; N244-T247 WeakPolarHBondContact CB-OG1 3.27Å; N244-T247 PolarHBondContact OD1-N 3.35Å; N244-T247 PolarHBondContact OD1-OG1 2.84Å; T247-E249 PolarHBondContact O-N 2.69Å; T247-E249 WeakPolarHBondContact OG1-CB 3.42Å; T247-E249 PolarHBondContact OG1-N 3.38Å
248	G	89.2	Confident	76.4	Confident	23 Å²	23	73.5 Å²	73.5	24%	0.237	37%	0.371	C	S	.	.			trans	70.7	3	-172.3	0	0	0	0	0	114.4	R243 N244	R243-G248 WeakPolarHBondContact CD-O 3.49Å; R243-G248 PolarHBondContact NE-O 3.25Å; N244-G248 VanDerWaalsContact O-CA 3.31Å; N244-G248 WeakPolarHBondContact O-CA 3.25Å; N244-G248 PolarHBondContact O-N 3.37Å
249	E	89	Confident	74.3	Confident	54 Å²	54	74.9 Å²	74.9	25%	0.252	39%	0.393	S	S	.	.	S	Bend	trans	-84.7	155.2	179.9	-71.2	175.2	-171.1	0	0	111.9	R104 H112 R243 N244 T247 E251	R104-E249 IonicContact CZ-OE1 3.34Å; R104-E249 IonicContact CZ-OE2 2.8Å; R104-E249 VanDerWaalsContact NH1-CD 3.33Å; R104-E249 IonicContact NH1-OE1 2.65Å; R104-E249 PolarHBondContact NH1-OE1 2.03Å; R104-E249 IonicContact NH1-OE2 3.45Å; R104-E249 IonicContact NH2-OE1 3.71Å; R104-E249 PolarHBondContact NH2-OE1 2.93Å; R104-E249 IonicContact NH2-OE2 3.55Å; R104-E249 PolarHBondContact NH2-OE2 3.41Å; H112-E249 IonicContact CE1-OE1 2.9Å; H112-E249 IonicContact NE2-OE1 2.72Å; R243-E249 CarbonylContact C-O 3.52Å; R243-E249 VanDerWaalsContact CA-O 3.26Å; R243-E249 WeakPolarHBondContact CA-O 3.18Å; N244-E249 PolarHBondContact N-O 2.85Å; T247-E249 PolarHBondContact O-N 2.69Å; T247-E249 WeakPolarHBondContact OG1-CB 3.42Å; T247-E249 PolarHBondContact OG1-N 3.38Å; E249-E251 PolarHBondContact O-N 3.23Å
250	P	89	Confident	72.8	Confident	29 Å²	29	73 Å²	73	19%	0.188	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-55.8	124.7	172.7	4.1	-7.8	0	0	0	111.9	P230 Y231 T241 R242 R243	P230-P250 HydrophobicContact CB-CB 3.83Å; P230-P250 HydrophobicContact CB-CG 3.66Å; Y231-P250 HydrophobicContact CD1-CG 4.08Å; Y231-P250 HydrophobicContact CD2-CG 4.3Å; Y231-P250 HydrophobicContact CE1-CG 3.68Å; Y231-P250 HydrophobicContact CE2-CG 3.93Å; Y231-P250 HydrophobicContact CG-CG 4.38Å; T241-P250 HydrophobicContact CG2-CB 3.78Å; R242-P250 CarbonylContact O-C 3.59Å; R242-P250 WeakPolarHBondContact O-CA 3.33Å; R243-P250 VanDerWaalsContact NH1-CD 3.28Å
251	E	78.6	Confident	71.7	Confident	61 Å²	61	76.8 Å²	76.8	29%	0.285	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-90.9	120.5	164.3	-76.2	-179.5	162.8	0	0	108.6	R242 N244 E249	R242-E251 IonicContact NE-OE2 2.65Å; R242-E251 PolarHBondContact O-N 2.64Å; N244-E251 VanDerWaalsContact CA-CD 3.48Å; N244-E251 WeakPolarHBondContact CA-OE1 3.32Å; N244-E251 HydrophobicContact CB-CG 3.62Å; N244-E251 VanDerWaalsContact CB-OE1 3.25Å; N244-E251 WeakPolarHBondContact CB-OE1 3.47Å; N244-E251 PolarHBondContact ND2-OE1 3.21Å; E249-E251 PolarHBondContact O-N 3.23Å
252	L	65.6	Low	71.2	Confident	80 Å²	80	77 Å²	77	42%	0.419	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-76	134.8	166.4	-73.7	174.5	0	0	0	109.7	K254 L260 K261	L252-K254 PolarHBondContact O-N 3.4Å; L252-L260 WeakPolarHBondContact CD2-O 3.43Å; L252-K261 WeakPolarHBondContact CD2-O 3.21Å
253	P	52.5	Low	71	Confident	64 Å²	64	70.9 Å²	70.9	42%	0.416	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-59.1	123.1	165.7	-15.4	27.9	0	0	0	108.3	H255 V256	P253-H255 PolarHBondContact O-N 3.2Å; P253-V256 HydrophobicContact CB-CB 4.43Å; P253-V256 PolarHBondContact O-N 2.7Å
254	K	49.6	Very low	70.9	Confident	202 Å²	202	75.9 Å²	75.9	88%	0.878	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-7.9	176.1	-74.9	-173.5	175.8	-178	0	114.4	L252	L252-K254 PolarHBondContact O-N 3.4Å
255	H	43.5	Very low	71	Confident	179 Å²	179	76.4 Å²	76.4	83%	0.829	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	14.7	-172.2	-71.1	-59.2	0	0	0	116.5	P253	P253-H255 PolarHBondContact O-N 3.2Å
256	V	44.7	Very low	71.1	Confident	60 Å²	60	71.7 Å²	71.7	36%	0.364	37%	0.371	S	S	.	.	S	Bend	trans	-143.7	109.8	178.9	-167.4	0	0	0	0	111.7	P253	P253-V256 HydrophobicContact CB-CB 4.43Å; P253-V256 PolarHBondContact O-N 2.7Å
257	N	41.6	Very low	71.1	Confident	31 Å²	31	66.1 Å²	66.1	17%	0.166	34%	0.344	C	S	.	.	S	Bend	trans	92.5	89.4	179.9	-52.7	-15.8	0	0	0	113.5	G259 L260 R264 Y269	N257-G259 PolarHBondContact O-N 2.99Å; N257-L260 HydrophobicContact CB-CB 3.95Å; N257-L260 HydrophobicContact CB-CD1 4.34Å; N257-L260 HydrophobicContact CB-CG 4.4Å; N257-L260 PolarHBondContact O-N 2.97Å; N257-R264 PolarHBondContact OD1-NE 3.35Å; N257-R264 VanDerWaalsContact OD1-NE 3.17Å; N257-Y269 HydrophobicContact CB-CE2 4.5Å
258	E	46.3	Very low	71.1	Confident	155 Å²	155	67.3 Å²	67.3	72%	0.724	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-12.3	97.2	147	-62.2	164.3	-164.3	0	0	112.5	L260 Y269	E258-L260 PolarHBondContact O-N 3.4Å; E258-Y269 HydrophobicContact CB-CE2 3.84Å; E258-Y269 WeakPolarHBondContact O-CE2 3.39Å; E258-Y269 PolarHBondContact O-OH 3.08Å
259	G	51.3	Low	71.1	Confident	73 Å²	73	69.9 Å²	69.9	75%	0.753	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	-1.6	171	0	0	0	0	0	118.7	N257	N257-G259 PolarHBondContact O-N 2.99Å
260	L	63	Low	71.2	Confident	7 Å²	7	67.4 Å²	67.4	4%	0.037	34%	0.34	C	S	.	.			trans	-84.6	132.9	-176.6	-61.6	-178.9	0	0	0	112.4	Y226 L252 N257 E258 A262 Y269 V286 L321	Y226-L260 HydrophobicContact CE2-CD2 4.02Å; Y226-L260 WeakPolarHBondContact OH-CA 3.49Å; Y226-L260 VanDerWaalsContact OH-CD2 3.28Å; Y226-L260 WeakPolarHBondContact OH-CD2 3.13Å; L252-L260 WeakPolarHBondContact CD2-O 3.43Å; N257-L260 HydrophobicContact CB-CB 3.95Å; N257-L260 HydrophobicContact CB-CD1 4.34Å; N257-L260 HydrophobicContact CB-CG 4.4Å; N257-L260 PolarHBondContact O-N 2.97Å; E258-L260 PolarHBondContact O-N 3.4Å; L260-A262 PolarHBondContact O-N 3.29Å; L260-Y269 HydrophobicContact CD1-CD2 3.65Å; L260-Y269 HydrophobicContact CD1-CE1 4.49Å; L260-Y269 HydrophobicContact CD1-CE2 3.34Å; L260-Y269 HydrophobicContact CD1-CG 4.33Å; L260-Y269 HydrophobicContact CD2-CE2 4.41Å; L260-Y269 HydrophobicContact CG-CD2 4.36Å; L260-Y269 HydrophobicContact CG-CE2 3.56Å; L260-V286 HydrophobicContact CD1-CG1 4.01Å; L260-V286 HydrophobicContact CD1-CG2 4.46Å; L260-V286 HydrophobicContact CD2-CG1 4.15Å; L260-V286 HydrophobicContact CD2-CG2 4.24Å; L260-L321 HydrophobicContact CD2-CD1 4Å
261	K	70.3	Confident	71.3	Confident	106 Å²	106	69 Å²	69	46%	0.461	35%	0.352	S	S	.	.			trans	-80.3	-6.1	-171.6	-65.4	-176.2	179.3	177.8	0	116.1	Y226 P230 L252	Y226-K261 HydrophobicContact CE1-CB 4.31Å; Y226-K261 HydrophobicContact CE1-CD 4.03Å; Y226-K261 HydrophobicContact CE1-CG 4.04Å; Y226-K261 PolarHBondContact OH-N 3.01Å; Y226-K261 VanDerWaalsContact OH-N 3.08Å; P230-K261 WeakPolarHBondContact CB-O 3.15Å; P230-K261 HydrophobicContact CG-CB 3.6Å; P230-K261 WeakPolarHBondContact CG-O 3.42Å; L252-K261 WeakPolarHBondContact CD2-O 3.21Å
262	A	81.2	Confident	71.8	Confident	4 Å²	4	66.2 Å²	66.2	3%	0.033	34%	0.339	C	S	.	.	S	Bend	trans	-134.6	165.1	-174.2	0	0	0	0	0	114.2	F229 P230 L260 T266 I267	F229-A262 HydrophobicContact CB-CB 4.14Å; P230-A262 HydrophobicContact CB-CB 4.15Å; P230-A262 HydrophobicContact CG-CB 4Å; L260-A262 PolarHBondContact O-N 3.29Å; A262-T266 HydrophobicContact CB-CG2 4.33Å; A262-I267 HydrophobicContact CB-CG2 3.75Å
263	D	84.6	Confident	73	Confident	54 Å²	54	68.6 Å²	68.6	29%	0.289	35%	0.346	S	S	.	.			trans	-67.2	154.7	-179.9	-167	-82.2	0	0	0	113.4	T241 N265 T266 I267	T241-D263 PolarHBondContact OG1-N 3.01Å; D263-N265 PolarHBondContact O-N 3.44Å; D263-N265 VanDerWaalsContact O-N 3.15Å; D263-N265 VanDerWaalsContact OD1-CG 3.26Å; D263-N265 PolarHBondContact OD1-N 3.04Å; D263-N265 PolarHBondContact OD1-ND2 3.09Å; D263-T266 WeakPolarHBondContact O-CA 3.03Å; D263-T266 WeakPolarHBondContact O-CB 3.01Å; D263-T266 PolarHBondContact O-N 3.21Å; D263-I267 PolarHBondContact O-N 3.19Å
264	R	88.4	Confident	74.7	Confident	138 Å²	138	65.8 Å²	65.8	52%	0.521	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.5	178.1	-70.5	-176.8	174.6	-177.2	-3.1	114.3	N257 T266 I267 T289	N257-R264 PolarHBondContact OD1-NE 3.35Å; N257-R264 VanDerWaalsContact OD1-NE 3.17Å; R264-T266 PolarHBondContact O-N 3.4Å; R264-I267 WeakPolarHBondContact CA-O 3.37Å; R264-T289 PolarHBondContact O-OG1 3.31Å
265	N	91.1	Very high	76.4	Confident	45 Å²	45	61 Å²	61	24%	0.241	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9	171.8	70.2	38.6	0	0	0	113.6	Y234 R240 D263 T289	Y234-N265 PolarHBondContact OH-ND2 2Å; R240-N265 PolarHBondContact NH1-O 2.85Å; R240-N265 PolarHBondContact O-ND2 2.77Å; D263-N265 PolarHBondContact O-N 3.44Å; D263-N265 VanDerWaalsContact O-N 3.15Å; D263-N265 VanDerWaalsContact OD1-CG 3.26Å; D263-N265 PolarHBondContact OD1-N 3.04Å; D263-N265 PolarHBondContact OD1-ND2 3.09Å; N265-T289 PolarHBondContact O-OG1 3.44Å
266	T	93.5	Very high	78.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-48.5	-179.3	-63.2	0	0	0	0	111.9	F229 L232 A262 D263 R264 L288 T289 L290	F229-T266 HydrophobicContact CB-CG2 3.98Å; L232-T266 HydrophobicContact CD1-CG2 3.83Å; A262-T266 HydrophobicContact CB-CG2 4.33Å; D263-T266 WeakPolarHBondContact O-CA 3.03Å; D263-T266 WeakPolarHBondContact O-CB 3.01Å; D263-T266 PolarHBondContact O-N 3.21Å; R264-T266 PolarHBondContact O-N 3.4Å; T266-L288 WeakPolarHBondContact O-CA 3.3Å; T266-T289 WeakPolarHBondContact CA-OG1 3.48Å; T266-T289 PolarHBondContact N-OG1 3.1Å; T266-T289 PolarHBondContact O-N 2.87Å; T266-T289 PolarHBondContact O-OG1 2.98Å; T266-L290 HydrophobicContact CG2-CD2 4.1Å
267	I	90.5	Very high	80.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139.9	-176.7	-167.2	163.3	0	0	0	110.4	Y226 F229 A262 D263 R264 V286 G287 L311	Y226-I267 HydrophobicContact CD2-CD1 3.89Å; Y226-I267 HydrophobicContact CE2-CD1 3.72Å; F229-I267 HydrophobicContact CD2-CD1 3.76Å; F229-I267 HydrophobicContact CE2-CD1 4.05Å; A262-I267 HydrophobicContact CB-CG2 3.75Å; D263-I267 PolarHBondContact O-N 3.19Å; R264-I267 WeakPolarHBondContact CA-O 3.37Å; I267-V286 HydrophobicContact CD1-CG1 3.46Å; I267-V286 VanDerWaalsContact CD1-CG1 3.46Å; I267-V286 HydrophobicContact CG1-CG1 3.36Å; I267-G287 WeakPolarHBondContact CA-O 3.49Å; I267-L311 HydrophobicContact CD1-CD1 3.65Å; I267-L311 HydrophobicContact CG1-CD1 4.34Å
268	Q	90.5	Very high	82.4	Confident	48 Å²	48	55.3 Å²	55.3	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.8	178.1	75.7	-174.8	-3.8	0	0	112.1	V270 V286 G287 T289	Q268-V270 HydrophobicContact CG-CG1 3.54Å; Q268-V286 WeakPolarHBondContact O-CA 3.29Å; Q268-G287 PolarHBondContact N-O 3.03Å; Q268-G287 PolarHBondContact O-N 2.95Å; Q268-T289 HydrophobicContact CB-CG2 4.06Å; Q268-T289 HydrophobicContact CG-CG2 3.42Å; Q268-T289 VanDerWaalsContact CG-CG2 3.42Å
269	Y	88.5	Confident	84	Confident	77 Å²	77	48.4 Å²	48.4	30%	0.302	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	133.9	161.7	-70.8	-78.3	0	0	0	109.9	N257 E258 L260 Q284 R285 V286	N257-Y269 HydrophobicContact CB-CE2 4.5Å; E258-Y269 HydrophobicContact CB-CE2 3.84Å; E258-Y269 WeakPolarHBondContact O-CE2 3.39Å; E258-Y269 PolarHBondContact O-OH 3.08Å; L260-Y269 HydrophobicContact CD1-CD2 3.65Å; L260-Y269 HydrophobicContact CD1-CE1 4.49Å; L260-Y269 HydrophobicContact CD1-CE2 3.34Å; L260-Y269 HydrophobicContact CD1-CG 4.33Å; L260-Y269 HydrophobicContact CD2-CE2 4.41Å; L260-Y269 HydrophobicContact CG-CD2 4.36Å; L260-Y269 HydrophobicContact CG-CE2 3.56Å; Y269-Q284 HydrophobicContact CD1-CB 4.37Å; Y269-R285 CarbonylContact C-O 3.56Å; Y269-R285 VanDerWaalsContact CA-O 3.27Å; Y269-R285 WeakPolarHBondContact CA-O 3.43Å; Y269-V286 HydrophobicContact CD1-CG2 3.8Å; Y269-V286 HydrophobicContact CE1-CG2 3.59Å
270	V	90.8	Very high	85.6	Confident	3 Å²	3	50 Å²	50	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.3	179.9	-67.2	0	0	0	0	110.1	Q268 R272 Q284 R285 D307 A308	Q268-V270 HydrophobicContact CG-CG1 3.54Å; V270-R272 VanDerWaalsContact CG2-NH2 3.34Å; V270-Q284 PolarHBondContact O-OE1 3.32Å; V270-R285 HydrophobicContact CG2-CB 3.98Å; V270-R285 PolarHBondContact N-O 2.9Å; V270-R285 PolarHBondContact O-N 3.46Å; V270-D307 WeakPolarHBondContact CG1-OD2 3.44Å; V270-A308 HydrophobicContact CG1-CB 3.69Å
271	S	90.5	Very high	86.7	Confident	63 Å²	63	54.6 Å²	54.6	44%	0.441	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.2	180	-64.8	0	0	0	0	110.7	Y283 Q284	S271-Y283 WeakPolarHBondContact CA-O 3.39Å; S271-Q284 PolarHBondContact OG-NE2 2.9Å; S271-Q284 PolarHBondContact OG-OE1 2.88Å
272	R	90.3	Very high	87.6	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.9	174.8	-58.2	-63.7	175.2	-118.8	10.8	109.7	V270 T282 Y283 R285 D307 A308 D310	V270-R272 VanDerWaalsContact CG2-NH2 3.34Å; R272-T282 WeakPolarHBondContact O-CA 3.33Å; R272-Y283 PolarHBondContact N-O 2.82Å; R272-Y283 PolarHBondContact O-N 3.41Å; R272-R285 HydrophobicContact CG-CB 4.38Å; R272-R285 HydrophobicContact CG-CG 4.01Å; R272-D307 IonicContact CZ-OD1 3.59Å; R272-D307 IonicContact NH1-OD1 3.49Å; R272-D307 PolarHBondContact NH1-OD1 3.32Å; R272-D307 IonicContact NH1-OD2 2.64Å; R272-D307 IonicContact NH2-OD1 3.78Å; R272-D307 PolarHBondContact NH2-OD1 2.99Å; R272-A308 PolarHBondContact NH2-O 2.81Å; R272-D310 IonicContact CZ-OD1 2.73Å; R272-D310 VanDerWaalsContact CZ-OD1 3.23Å; R272-D310 IonicContact CZ-OD2 3.22Å; R272-D310 IonicContact NE-OD1 3.31Å; R272-D310 PolarHBondContact NE-OD1 3.47Å; R272-D310 IonicContact NE-OD2 2.72Å; R272-D310 PolarHBondContact NE-OD2 2.98Å; R272-D310 IonicContact NH2-OD1 2.6Å; R272-D310 PolarHBondContact NH2-OD1 2.89Å; R272-D310 IonicContact NH2-OD2 3.27Å
273	K	89.4	Confident	87.8	Confident	130 Å²	130	56.2 Å²	56.2	57%	0.565	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.7	175.2	-67.9	179.4	-178.6	172.3	0	108.5	F380 E381	K273-F380 CarbonylContact C-O 3.58Å; K273-F380 WeakPolarHBondContact CB-O 3.2Å; K273-F380 PolarHBondContact N-O 3.28Å; K273-F380 CarbonylContact O-C 3.6Å; K273-E381 WeakPolarHBondContact O-CA 3.36Å
274	W	88.7	Confident	87.9	Confident	5 Å²	5	59.1 Å²	59.1	2%	0.019	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	90.7	-173.1	-156.9	-99.4	0	0	0	110.6	Q281 Y283 R327 E431 D457	W274-Q281 CarbonylContact C-O 3.52Å; W274-Q281 WeakPolarHBondContact CA-O 3.19Å; W274-Q281 PolarHBondContact N-O 2.93Å; W274-Q281 PolarHBondContact O-N 3.37Å; W274-Q281 VanDerWaalsContact O-N 3.17Å; W274-Y283 HydrophobicContact CB-CD2 3.22Å; W274-Y283 HydrophobicContact CB-CE2 3.44Å; W274-Y283 VanDerWaalsContact CB-CE2 3.44Å; W274-Y283 HydrophobicContact CB-CG 4.42Å; W274-Y283 AromaticContact CD1-CD2 3.98Å; W274-Y283 AromaticContact CD1-CE2 3.56Å; W274-Y283 AromaticContact CG-CD2 3.67Å; W274-Y283 HydrophobicContact CG-CD2 3.67Å; W274-Y283 AromaticContact CG-CE2 3.69Å; W274-Y283 HydrophobicContact CG-CE2 3.69Å; W274-R327 VanDerWaalsContact CZ2-NH1 3.32Å; W274-E431 PolarHBondContact NE1-O 3.39Å; W274-D457 HydrophobicContact CH2-CB 4.34Å; W274-D457 WeakPolarHBondContact CH2-OD2 3.39Å; W274-D457 HydrophobicContact CZ2-CB 3.96Å
275	R	86.3	Confident	87.9	Confident	100 Å²	100	53.3 Å²	53.3	38%	0.377	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.9	178.4	-62.5	-156.6	178.8	161.9	-16.8	109.9	S279 D280 S382 R385	R275-S279 CarbonylContact C-O 3.54Å; R275-S279 WeakPolarHBondContact CA-O 3.43Å; R275-D280 WeakPolarHBondContact CD-OD1 3.47Å; R275-D280 HydrophobicContact CG-CB 4.36Å; R275-D280 WeakPolarHBondContact CG-OD1 3.5Å; R275-D280 IonicContact CZ-OD1 2.98Å; R275-D280 IonicContact CZ-OD2 2.7Å; R275-D280 IonicContact NE-OD1 3.96Å; R275-D280 PolarHBondContact NE-OD1 3.49Å; R275-D280 IonicContact NE-OD2 2.89Å; R275-D280 PolarHBondContact NE-OD2 2.86Å; R275-D280 IonicContact NH2-OD1 2.98Å; R275-D280 IonicContact NH2-OD2 3.4Å; R275-D280 PolarHBondContact NH2-OD2 3.45Å; R275-S382 WeakPolarHBondContact O-CB 3.04Å; R275-S382 PolarHBondContact O-OG 3.38Å; R275-R385 HydrophobicContact CB-CB 4.41Å; R275-R385 VanDerWaalsContact NE-NH1 3.12Å
276	T	85.9	Confident	87.8	Confident	19 Å²	19	51.8 Å²	51.8	12%	0.117	26%	0.262	C	S	.	.			trans	-104.7	-169.5	170.1	68.1	0	0	0	0	109.3	S278 S279 P430 E431 T433	T276-S278 VanDerWaalsContact C-N 3.27Å; T276-S278 PolarHBondContact OG1-N 3.32Å; T276-S279 PolarHBondContact N-O 3.02Å; T276-S279 VanDerWaalsContact OG1-CB 3.31Å; T276-S279 WeakPolarHBondContact OG1-CB 3.15Å; T276-S279 PolarHBondContact OG1-N 3.39Å; T276-P430 WeakPolarHBondContact CB-O 3.39Å; T276-P430 PolarHBondContact OG1-O 2.97Å; T276-E431 WeakPolarHBondContact CG2-O 3.35Å; T276-T433 WeakPolarHBondContact CB-O 3.34Å
277	V	85.2	Confident	87.8	Confident	60 Å²	60	51.8 Å²	51.8	36%	0.364	26%	0.262	S	S	.	.	S	Bend	trans	-65.7	-35.6	172.3	169.9	0	0	0	0	111.4	T433 N436	V277-T433 WeakPolarHBondContact CB-O 3.35Å; V277-T433 WeakPolarHBondContact CG2-O 3.39Å; V277-T433 PolarHBondContact N-O 2.74Å; V277-N436 HydrophobicContact CB-CB 4.31Å; V277-N436 HydrophobicContact CG1-CB 3.63Å; V277-N436 HydrophobicContact CG2-CB 3.67Å
278	S	83.4	Confident	88.1	Confident	73 Å²	73	51.8 Å²	51.8	51%	0.51	26%	0.262	S	S	.	.	S	Bend	trans	-113.2	-4.1	-170.7	65.1	0	0	0	0	114.4	T276 P430 T433	T276-S278 VanDerWaalsContact C-N 3.27Å; T276-S278 PolarHBondContact OG1-N 3.32Å; S278-P430 WeakPolarHBondContact OG-CA 3.31Å; S278-P430 WeakPolarHBondContact OG-CB 3.26Å; S278-P430 PolarHBondContact OG-O 3.5Å; S278-T433 PolarHBondContact OG-OG1 3Å
279	S	80.5	Confident	88.4	Confident	10 Å²	10	50.8 Å²	50.8	7%	0.07	26%	0.259	C	S	.	.			trans	-136.5	136	-178.1	-174	0	0	0	0	110.6	R275 T276 Q281	R275-S279 CarbonylContact C-O 3.54Å; R275-S279 WeakPolarHBondContact CA-O 3.43Å; T276-S279 PolarHBondContact N-O 3.02Å; T276-S279 VanDerWaalsContact OG1-CB 3.31Å; T276-S279 WeakPolarHBondContact OG1-CB 3.15Å; T276-S279 PolarHBondContact OG1-N 3.39Å; S279-Q281 VanDerWaalsContact OG-CG 3.29Å; S279-Q281 WeakPolarHBondContact OG-CG 3.5Å
280	D	85.4	Confident	88.8	Confident	105 Å²	105	47.1 Å²	47.1	56%	0.561	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	81.1	163.4	-173.2	-1.7	0	0	0	106.9	R275	R275-D280 WeakPolarHBondContact CD-OD1 3.47Å; R275-D280 HydrophobicContact CG-CB 4.36Å; R275-D280 WeakPolarHBondContact CG-OD1 3.5Å; R275-D280 IonicContact CZ-OD1 2.98Å; R275-D280 IonicContact CZ-OD2 2.7Å; R275-D280 IonicContact NE-OD1 3.96Å; R275-D280 PolarHBondContact NE-OD1 3.49Å; R275-D280 IonicContact NE-OD2 2.89Å; R275-D280 PolarHBondContact NE-OD2 2.86Å; R275-D280 IonicContact NH2-OD1 2.98Å; R275-D280 IonicContact NH2-OD2 3.4Å; R275-D280 PolarHBondContact NH2-OD2 3.45Å
281	Q	86.8	Confident	89.1	Confident	105 Å²	105	56 Å²	56	49%	0.491	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	162.5	-173.8	-74.2	-176.8	-7.2	0	0	111.1	W274 S279 Y283	W274-Q281 CarbonylContact C-O 3.52Å; W274-Q281 WeakPolarHBondContact CA-O 3.19Å; W274-Q281 PolarHBondContact N-O 2.93Å; W274-Q281 PolarHBondContact O-N 3.37Å; W274-Q281 VanDerWaalsContact O-N 3.17Å; S279-Q281 VanDerWaalsContact OG-CG 3.29Å; S279-Q281 WeakPolarHBondContact OG-CG 3.5Å; Q281-Y283 HydrophobicContact CB-CD2 4.36Å; Q281-Y283 HydrophobicContact CB-CE2 3.69Å; Q281-Y283 PolarHBondContact OE1-OH 3.22Å
282	T	87.8	Confident	89.5	Confident	85 Å²	85	54 Å²	54	52%	0.521	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.5	167.8	-61.4	0	0	0	0	107.8	R272	R272-T282 WeakPolarHBondContact O-CA 3.33Å
283	Y	85	Confident	89.9	Confident	58 Å²	58	53.9 Å²	53.9	23%	0.227	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.7	177.2	-68.9	-99.3	0	0	0	109.6	S271 R272 W274 Q281 E431	S271-Y283 WeakPolarHBondContact CA-O 3.39Å; R272-Y283 PolarHBondContact N-O 2.82Å; R272-Y283 PolarHBondContact O-N 3.41Å; W274-Y283 HydrophobicContact CB-CD2 3.22Å; W274-Y283 HydrophobicContact CB-CE2 3.44Å; W274-Y283 VanDerWaalsContact CB-CE2 3.44Å; W274-Y283 HydrophobicContact CB-CG 4.42Å; W274-Y283 AromaticContact CD1-CD2 3.98Å; W274-Y283 AromaticContact CD1-CE2 3.56Å; W274-Y283 AromaticContact CG-CD2 3.67Å; W274-Y283 HydrophobicContact CG-CD2 3.67Å; W274-Y283 AromaticContact CG-CE2 3.69Å; W274-Y283 HydrophobicContact CG-CE2 3.69Å; Q281-Y283 HydrophobicContact CB-CD2 4.36Å; Q281-Y283 HydrophobicContact CB-CE2 3.69Å; Q281-Y283 PolarHBondContact OE1-OH 3.22Å; Y283-E431 HydrophobicContact CE1-CB 4.15Å; Y283-E431 HydrophobicContact CE2-CB 4.43Å; Y283-E431 WeakPolarHBondContact OH-CB 3.44Å
284	Q	86.4	Confident	90.3	Very high	115 Å²	115	48 Å²	48	54%	0.537	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.8	167.4	-64.6	-58.1	-27.7	0	0	108.4	Y269 V270 S271	Y269-Q284 HydrophobicContact CD1-CB 4.37Å; V270-Q284 PolarHBondContact O-OE1 3.32Å; S271-Q284 PolarHBondContact OG-NE2 2.9Å; S271-Q284 PolarHBondContact OG-OE1 2.88Å
285	R	88.7	Confident	90.8	Very high	17 Å²	17	50.7 Å²	50.7	6%	0.064	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	166.8	165.5	-67.3	-164.9	-179.9	-107.5	-4.2	109.4	Y269 V270 R272 D310 E325 D457	Y269-R285 CarbonylContact C-O 3.56Å; Y269-R285 VanDerWaalsContact CA-O 3.27Å; Y269-R285 WeakPolarHBondContact CA-O 3.43Å; V270-R285 HydrophobicContact CG2-CB 3.98Å; V270-R285 PolarHBondContact N-O 2.9Å; V270-R285 PolarHBondContact O-N 3.46Å; R272-R285 HydrophobicContact CG-CB 4.38Å; R272-R285 HydrophobicContact CG-CG 4.01Å; R285-D310 VanDerWaalsContact CD-OD2 3.27Å; R285-D310 WeakPolarHBondContact CD-OD2 3.48Å; R285-E325 IonicContact CZ-OE2 2.68Å; R285-E325 IonicContact NH1-OE1 2.94Å; R285-E325 IonicContact NH1-OE2 3.31Å; R285-E325 PolarHBondContact NH1-OE2 3.34Å; R285-D457 IonicContact CZ-OD2 3.07Å; R285-D457 IonicContact NH1-OD2 3.34Å; R285-D457 IonicContact NH2-OD1 3.55Å; R285-D457 IonicContact NH2-OD2 2.62Å; R285-D457 PolarHBondContact NH2-OD2 3.46Å
286	V	90.3	Very high	91.4	Very high	13 Å²	13	48.4 Å²	48.4	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.8	169	-177.2	0	0	0	0	107	L260 I267 Q268 Y269 L311 L321	L260-V286 HydrophobicContact CD1-CG1 4.01Å; L260-V286 HydrophobicContact CD1-CG2 4.46Å; L260-V286 HydrophobicContact CD2-CG1 4.15Å; L260-V286 HydrophobicContact CD2-CG2 4.24Å; I267-V286 HydrophobicContact CD1-CG1 3.46Å; I267-V286 VanDerWaalsContact CD1-CG1 3.46Å; I267-V286 HydrophobicContact CG1-CG1 3.36Å; Q268-V286 WeakPolarHBondContact O-CA 3.29Å; Y269-V286 HydrophobicContact CD1-CG2 3.8Å; Y269-V286 HydrophobicContact CE1-CG2 3.59Å; V286-L311 WeakPolarHBondContact O-CB 3.37Å; V286-L311 PolarHBondContact O-N 2.95Å; V286-L321 HydrophobicContact CB-CD1 4.37Å; V286-L321 HydrophobicContact CB-CD2 3.63Å; V286-L321 HydrophobicContact CG1-CD1 4.13Å; V286-L321 HydrophobicContact CG1-CD2 4.04Å; V286-L321 HydrophobicContact CG2-CD1 4.33Å; V286-L321 HydrophobicContact CG2-CD2 4.06Å
287	G	93.9	Very high	92	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.5	-177.7	0	0	0	0	0	113.2	I267 Q268 V309	I267-G287 WeakPolarHBondContact CA-O 3.49Å; Q268-G287 PolarHBondContact N-O 3.03Å; Q268-G287 PolarHBondContact O-N 2.95Å; G287-V309 CarbonylContact C-O 3.59Å; G287-V309 WeakPolarHBondContact CA-O 3.28Å
288	L	95.8	Very high	92.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.8	172.8	-69.2	173.4	0	0	0	110.8	F224 F229 T266 L290 V293 V294 A308 V309 L311 F324 F351	F224-L288 HydrophobicContact CZ-CD1 4.37Å; F229-L288 HydrophobicContact CD2-CD2 4.12Å; F229-L288 HydrophobicContact CE2-CD2 3.83Å; F229-L288 HydrophobicContact CZ-CD2 4.07Å; T266-L288 WeakPolarHBondContact O-CA 3.3Å; L288-L290 VanDerWaalsContact C-N 3.33Å; L288-L290 HydrophobicContact CD2-CD1 4.2Å; L288-V293 HydrophobicContact CB-CG1 4.38Å; L288-V294 WeakPolarHBondContact O-CG2 3.47Å; L288-A308 CarbonylContact O-C 3.55Å; L288-A308 VanDerWaalsContact O-CA 3.22Å; L288-A308 WeakPolarHBondContact O-CA 3Å; L288-A308 WeakPolarHBondContact O-CB 3.3Å; L288-V309 PolarHBondContact N-O 2.7Å; L288-V309 PolarHBondContact O-N 2.92Å; L288-L311 HydrophobicContact CD1-CD2 3.79Å; L288-L311 HydrophobicContact CD1-CG 4.47Å; L288-L311 HydrophobicContact CD2-CD1 4.07Å; L288-L311 HydrophobicContact CG-CD1 3.91Å; L288-L311 HydrophobicContact CG-CD2 3.84Å; L288-L311 HydrophobicContact CG-CG 3.98Å; L288-F324 HydrophobicContact CD1-CE1 3.88Å; L288-F351 HydrophobicContact CD1-CD2 3.94Å; L288-F351 HydrophobicContact CD1-CE2 4.33Å
289	T	96.4	Very high	93.3	Very high	26 Å²	26	50.5 Å²	50.5	16%	0.16	24%	0.242	C	C	.	.			trans	-96.1	10.3	177.1	57.3	0	0	0	0	112.4	R264 N265 T266 Q268 R291 A308	R264-T289 PolarHBondContact O-OG1 3.31Å; N265-T289 PolarHBondContact O-OG1 3.44Å; T266-T289 WeakPolarHBondContact CA-OG1 3.48Å; T266-T289 PolarHBondContact N-OG1 3.1Å; T266-T289 PolarHBondContact O-N 2.87Å; T266-T289 PolarHBondContact O-OG1 2.98Å; Q268-T289 HydrophobicContact CB-CG2 4.06Å; Q268-T289 HydrophobicContact CG-CG2 3.42Å; Q268-T289 VanDerWaalsContact CG-CG2 3.42Å; T289-R291 PolarHBondContact O-N 3.04Å; T289-A308 HydrophobicContact CG2-CB 3.98Å
290	L	97.8	Very high	94.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.			trans	-59.7	130.2	-177.7	-65	176.2	0	0	0	110.6	L232 T266 L288 S292 V293 V294 F351 D354	L232-L290 HydrophobicContact CD1-CD1 3.91Å; L232-L290 HydrophobicContact CD1-CD2 4.05Å; T266-L290 HydrophobicContact CG2-CD2 4.1Å; L288-L290 VanDerWaalsContact C-N 3.33Å; L288-L290 HydrophobicContact CD2-CD1 4.2Å; L290-S292 PolarHBondContact O-N 3.29Å; L290-V293 HydrophobicContact CB-CB 3.98Å; L290-V293 HydrophobicContact CB-CG2 3.9Å; L290-V293 HydrophobicContact CD1-CG2 4.31Å; L290-V293 WeakPolarHBondContact O-CB 3.45Å; L290-V293 PolarHBondContact O-N 3.33Å; L290-V294 WeakPolarHBondContact O-CG2 3.28Å; L290-V294 PolarHBondContact O-N 2.95Å; L290-F351 HydrophobicContact CD1-CD2 3.73Å; L290-F351 HydrophobicContact CD1-CE2 3.97Å; L290-D354 VanDerWaalsContact C-OD2 3.28Å; L290-D354 HydrophobicContact CB-CB 3.83Å; L290-D354 VanDerWaalsContact CB-OD2 3.29Å; L290-D354 WeakPolarHBondContact CB-OD2 3.25Å; L290-D354 HydrophobicContact CD1-CB 4.04Å; L290-D354 HydrophobicContact CD2-CB 4.19Å; L290-D354 HydrophobicContact CG-CB 4.25Å
291	R	97.5	Very high	94.7	Very high	191 Å²	191	45.3 Å²	45.3	72%	0.721	21%	0.214	S	C	*	.	H	α-helix	trans	-59.8	-48.8	-165.5	-179.5	179.6	175.4	-170.1	-0.4	113.6	T289 N295 D354	T289-R291 PolarHBondContact O-N 3.04Å; R291-N295 VanDerWaalsContact O-CB 3.24Å; R291-N295 WeakPolarHBondContact O-CB 3.42Å; R291-N295 PolarHBondContact O-N 2.84Å; R291-N295 PolarHBondContact O-ND2 3.28Å; R291-N295 VanDerWaalsContact O-ND2 3.08Å; R291-D354 PolarHBondContact N-OD2 3.34Å
292	S	98.3	Very high	95.2	Very high	20 Å²	20	48.6 Å²	48.6	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-68.3	-39.6	178.6	-50.3	0	0	0	0	111	L290 N295 F296 D354	L290-S292 PolarHBondContact O-N 3.29Å; S292-N295 PolarHBondContact O-N 2.94Å; S292-F296 VanDerWaalsContact O-CB 3.31Å; S292-F296 WeakPolarHBondContact O-CB 3.05Å; S292-F296 PolarHBondContact O-N 2.94Å; S292-D354 VanDerWaalsContact CA-OD2 3.23Å; S292-D354 WeakPolarHBondContact CA-OD2 3.17Å; S292-D354 VanDerWaalsContact CB-CG 3.42Å; S292-D354 WeakPolarHBondContact CB-OD1 3.48Å; S292-D354 WeakPolarHBondContact CB-OD2 3.34Å; S292-D354 PolarHBondContact N-OD1 3.36Å; S292-D354 PolarHBondContact N-OD2 3.3Å; S292-D354 PolarHBondContact OG-OD1 3.25Å
293	V	98.6	Very high	95.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58	-53.8	175.5	172.7	0	0	0	0	111.2	L288 L290 N295 F296 A297 V309 F324 L347 F351 D354	L288-V293 HydrophobicContact CB-CG1 4.38Å; L290-V293 HydrophobicContact CB-CB 3.98Å; L290-V293 HydrophobicContact CB-CG2 3.9Å; L290-V293 HydrophobicContact CD1-CG2 4.31Å; L290-V293 WeakPolarHBondContact O-CB 3.45Å; L290-V293 PolarHBondContact O-N 3.33Å; V293-N295 PolarHBondContact O-N 3.27Å; V293-F296 PolarHBondContact O-N 3.17Å; V293-A297 WeakPolarHBondContact O-CB 3.22Å; V293-A297 PolarHBondContact O-N 3.31Å; V293-V309 HydrophobicContact CG1-CB 3.84Å; V293-V309 HydrophobicContact CG1-CG1 4.47Å; V293-V309 HydrophobicContact CG1-CG2 3.59Å; V293-F324 HydrophobicContact CG1-CE1 4.46Å; V293-L347 HydrophobicContact CG1-CD1 3.95Å; V293-F351 VanDerWaalsContact CG2-CA 3.42Å; V293-F351 HydrophobicContact CG2-CB 3.88Å; V293-D354 PolarHBondContact N-OD2 3.45Å
294	V	98.6	Very high	96.2	Very high	7 Å²	7	48 Å²	48	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-45.4	179	172.5	0	0	0	0	110.8	L288 L290 F296 A297 R298 L306	L288-V294 WeakPolarHBondContact O-CG2 3.47Å; L290-V294 WeakPolarHBondContact O-CG2 3.28Å; L290-V294 PolarHBondContact O-N 2.95Å; V294-F296 VanDerWaalsContact C-N 3.35Å; V294-F296 PolarHBondContact O-N 3.03Å; V294-A297 PolarHBondContact O-N 3.25Å; V294-R298 HydrophobicContact CG1-CG 4.14Å; V294-R298 WeakPolarHBondContact O-CB 3.4Å; V294-R298 VanDerWaalsContact O-CG 3.23Å; V294-R298 WeakPolarHBondContact O-CG 3.33Å; V294-R298 PolarHBondContact O-N 2.97Å; V294-L306 WeakPolarHBondContact CG1-O 3.21Å
295	N	98.5	Very high	96.7	Very high	61 Å²	61	49.6 Å²	49.6	33%	0.326	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-39.1	178.9	-73.5	-23.7	0	0	0	112.8	R291 S292 V293 N299	R291-N295 VanDerWaalsContact O-CB 3.24Å; R291-N295 WeakPolarHBondContact O-CB 3.42Å; R291-N295 PolarHBondContact O-N 2.84Å; R291-N295 PolarHBondContact O-ND2 3.28Å; R291-N295 VanDerWaalsContact O-ND2 3.08Å; S292-N295 PolarHBondContact O-N 2.94Å; V293-N295 PolarHBondContact O-N 3.27Å; N295-N299 PolarHBondContact O-N 3.18Å; N295-N299 PolarHBondContact O-ND2 3.06Å
296	F	98.6	Very high	97.1	Very high	51 Å²	51	48.9 Å²	48.9	22%	0.224	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-51.2	173.9	178.4	-87.1	0	0	0	110.3	S292 V293 V294 R298 N299 H300 L347 W368	S292-F296 VanDerWaalsContact O-CB 3.31Å; S292-F296 WeakPolarHBondContact O-CB 3.05Å; S292-F296 PolarHBondContact O-N 2.94Å; V293-F296 PolarHBondContact O-N 3.17Å; V294-F296 VanDerWaalsContact C-N 3.35Å; V294-F296 PolarHBondContact O-N 3.03Å; F296-R298 PolarHBondContact O-N 2.8Å; F296-N299 PolarHBondContact O-N 2.94Å; F296-H300 HydrophobicContact CD1-CB 4.33Å; F296-H300 HydrophobicContact CE1-CB 3.95Å; F296-H300 HydrophobicContact CZ-CB 4.38Å; F296-H300 VanDerWaalsContact O-CB 3.29Å; F296-H300 WeakPolarHBondContact O-CB 3.17Å; F296-H300 PolarHBondContact O-N 3.03Å; F296-L347 HydrophobicContact CD1-CB 3.7Å; F296-L347 HydrophobicContact CD1-CD1 3.89Å; F296-L347 HydrophobicContact CD1-CG 4.41Å; F296-L347 HydrophobicContact CE1-CB 3.65Å; F296-L347 VanDerWaalsContact CE1-N 3.3Å; F296-W368 HydrophobicContact CE1-CE3 4.33Å; F296-W368 HydrophobicContact CE1-CZ3 4.18Å
297	A	98.4	Very high	97.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-44.2	-178.9	0	0	0	0	0	112.5	V293 V294 N299 H300 F301 L306 V309 L347	V293-A297 WeakPolarHBondContact O-CB 3.22Å; V293-A297 PolarHBondContact O-N 3.31Å; V294-A297 PolarHBondContact O-N 3.25Å; A297-N299 VanDerWaalsContact C-N 3.31Å; A297-N299 PolarHBondContact O-N 2.83Å; A297-H300 PolarHBondContact O-N 3.13Å; A297-F301 HydrophobicContact CB-CD2 3.91Å; A297-F301 HydrophobicContact CB-CE2 3.88Å; A297-F301 WeakPolarHBondContact O-CB 3.25Å; A297-F301 WeakPolarHBondContact O-CD2 3.43Å; A297-F301 PolarHBondContact O-N 2.89Å; A297-L306 HydrophobicContact CB-CD2 3.45Å; A297-L306 VanDerWaalsContact CB-CD2 3.45Å; A297-V309 HydrophobicContact CB-CG2 3.44Å; A297-V309 VanDerWaalsContact CB-CG2 3.44Å; A297-L347 HydrophobicContact CB-CD1 4.33Å
298	R	98.4	Very high	97.4	Very high	78 Å²	78	51.1 Å²	51.1	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-52.5	-49	174.5	-74	178.7	171	168.7	-5	111.7	V294 F296 R302 C303 N304 L306	V294-R298 HydrophobicContact CG1-CG 4.14Å; V294-R298 WeakPolarHBondContact O-CB 3.4Å; V294-R298 VanDerWaalsContact O-CG 3.23Å; V294-R298 WeakPolarHBondContact O-CG 3.33Å; V294-R298 PolarHBondContact O-N 2.97Å; F296-R298 PolarHBondContact O-N 2.8Å; R298-R302 CarbonylContact O-C 3.54Å; R298-R302 WeakPolarHBondContact O-CA 3.28Å; R298-R302 PolarHBondContact O-N 3.45Å; R298-C303 WeakPolarHBondContact CA-O 3.4Å; R298-C303 VanDerWaalsContact CG-O 3.24Å; R298-C303 WeakPolarHBondContact CG-O 3.27Å; R298-C303 PolarHBondContact O-N 2.78Å; R298-N304 PolarHBondContact NE-O 2.91Å; R298-N304 VanDerWaalsContact NE-O 3.17Å; R298-L306 HydrophobicContact CG-CB 3.85Å; R298-L306 HydrophobicContact CG-CD2 4.5Å; R298-L306 PolarHBondContact NE-O 2.04Å; R298-L306 PolarHBondContact NH2-O 3.43Å
299	N	98.3	Very high	97.5	Very high	118 Å²	118	51.2 Å²	51.2	63%	0.631	24%	0.236	S	C	*	.	H	α-helix	trans	-69.9	-41.1	180	-71.3	-33.2	0	0	0	112.4	N295 F296 A297	N295-N299 PolarHBondContact O-N 3.18Å; N295-N299 PolarHBondContact O-ND2 3.06Å; F296-N299 PolarHBondContact O-N 2.94Å; A297-N299 VanDerWaalsContact C-N 3.31Å; A297-N299 PolarHBondContact O-N 2.83Å
300	H	97.7	Very high	97.5	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.028	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-52.3	-178.4	-178.2	73	0	0	0	111.8	F296 A297 W368 W370 R372 N373	F296-H300 HydrophobicContact CD1-CB 4.33Å; F296-H300 HydrophobicContact CE1-CB 3.95Å; F296-H300 HydrophobicContact CZ-CB 4.38Å; F296-H300 VanDerWaalsContact O-CB 3.29Å; F296-H300 WeakPolarHBondContact O-CB 3.17Å; F296-H300 PolarHBondContact O-N 3.03Å; A297-H300 PolarHBondContact O-N 3.13Å; H300-W368 AromaticContact CD2-CZ3 3.54Å; H300-W368 AromaticContact CE1-CE3 3.74Å; H300-W368 PolarHBondContact CE1-O 2.73Å; H300-W368 AromaticContact NE2-CE3 3.55Å; H300-W368 AromaticContact NE2-CH2 3.93Å; H300-W368 AromaticContact NE2-CZ3 3.42Å; H300-W368 WeakPolarHBondContact NE2-CZ3 3.23Å; H300-W370 PolarHBondContact NE2-O 3.35Å; H300-R372 CarbonylContact O-C 3.59Å; H300-R372 WeakPolarHBondContact O-CA 3.05Å; H300-N373 PolarHBondContact O-N 3.43Å
301	F	96.7	Very high	97.3	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-79	-16.9	-180	-60.3	-64.7	0	0	0	113.1	A297 L328 W368 G371 N373 Q374 G375 L378 I379	A297-F301 HydrophobicContact CB-CD2 3.91Å; A297-F301 HydrophobicContact CB-CE2 3.88Å; A297-F301 WeakPolarHBondContact O-CB 3.25Å; A297-F301 WeakPolarHBondContact O-CD2 3.43Å; A297-F301 PolarHBondContact O-N 2.89Å; F301-L328 HydrophobicContact CZ-CB 4.25Å; F301-L328 WeakPolarHBondContact CZ-O 3.5Å; F301-W368 HydrophobicContact CE1-CH2 4.32Å; F301-W368 AromaticContact CZ-CH2 3.86Å; F301-W368 HydrophobicContact CZ-CH2 3.86Å; F301-W368 HydrophobicContact CZ-CZ3 4.45Å; F301-G371 VanDerWaalsContact CD1-O 3.25Å; F301-G371 WeakPolarHBondContact CD1-O 3.5Å; F301-N373 CarbonylContact O-C 3.5Å; F301-Q374 PolarHBondContact O-N 3.08Å; F301-Q374 VanDerWaalsContact O-N 3.16Å; F301-G375 WeakPolarHBondContact O-CA 3.42Å; F301-G375 PolarHBondContact O-N 2.93Å; F301-L378 HydrophobicContact CD1-CD2 3.93Å; F301-L378 HydrophobicContact CE1-CD2 4.1Å; F301-I379 HydrophobicContact CB-CD1 4.03Å; F301-I379 HydrophobicContact CD2-CD1 3.76Å; F301-I379 HydrophobicContact CE2-CD1 4.47Å; F301-I379 HydrophobicContact CG-CD1 3.98Å
302	R	96.9	Very high	96.9	Very high	173 Å²	173	41.1 Å²	41.1	65%	0.653	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	51.2	-165.2	-64.8	-169.7	-179.7	-159.2	-0.7	113	R298 N373	R298-R302 CarbonylContact O-C 3.54Å; R298-R302 WeakPolarHBondContact O-CA 3.28Å; R298-R302 PolarHBondContact O-N 3.45Å; R302-N373 WeakPolarHBondContact CD-OD1 3.3Å; R302-N373 HydrophobicContact CG-CB 4.26Å; R302-N373 WeakPolarHBondContact CG-OD1 3.45Å; R302-N373 PolarHBondContact NE-OD1 3.18Å
303	C	97.2	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.			trans	-126.5	93.2	174.6	179.6	0	0	0	0	110.8	R298 E305 L306 C376 I379	R298-C303 WeakPolarHBondContact CA-O 3.4Å; R298-C303 VanDerWaalsContact CG-O 3.24Å; R298-C303 WeakPolarHBondContact CG-O 3.27Å; R298-C303 PolarHBondContact O-N 2.78Å; C303-E305 PolarHBondContact O-N 3.46Å; C303-L306 HydrophobicContact CB-CB 4.49Å; C303-L306 WeakPolarHBondContact O-CB 3.42Å; C303-L306 PolarHBondContact O-N 3.09Å; C303-C376 WeakPolarHBondContact CA-SG 3.45Å; C303-C376 HydrophobicContact CB-CB 3.89Å; C303-C376 WeakPolarHBondContact CB-SG 3.43Å; C303-C376 WeakPolarHBondContact SG-CA 3.47Å; C303-C376 WeakPolarHBondContact SG-CB 3.23Å; C303-C376 CovalentContact SG-SG 2.04Å; C303-C376 PolarHBondContact SG-SG 3.47Å; C303-I379 HydrophobicContact CB-CD1 4.04Å
304	N	97.5	Very high	94.4	Very high	130 Å²	130	44.7 Å²	44.7	70%	0.695	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.3	-178.1	-71.4	-22.1	0	0	0	113.4	R298 L306	R298-N304 PolarHBondContact NE-O 2.91Å; R298-N304 VanDerWaalsContact NE-O 3.17Å; N304-L306 VanDerWaalsContact C-N 3.26Å; N304-L306 PolarHBondContact O-N 3.19Å
305	E	96.5	Very high	92.3	Very high	149 Å²	149	46.2 Å²	46.2	70%	0.696	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.5	-179.2	-66.2	171.9	-142.4	0	0	113.4	C303 D307 F380	C303-E305 PolarHBondContact O-N 3.46Å; E305-D307 PolarHBondContact O-N 3.34Å; E305-F380 HydrophobicContact CB-CE2 3.91Å; E305-F380 HydrophobicContact CB-CZ 4.32Å
306	L	97	Very high	89.8	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.257	C	S	.	.			trans	-57.1	121.1	-177.1	-176.3	62.7	0	0	0	111.5	V294 A297 R298 C303 N304 A308 V309 I379 F380	V294-L306 WeakPolarHBondContact CG1-O 3.21Å; A297-L306 HydrophobicContact CB-CD2 3.45Å; A297-L306 VanDerWaalsContact CB-CD2 3.45Å; R298-L306 HydrophobicContact CG-CB 3.85Å; R298-L306 HydrophobicContact CG-CD2 4.5Å; R298-L306 PolarHBondContact NE-O 2.04Å; R298-L306 PolarHBondContact NH2-O 3.43Å; C303-L306 HydrophobicContact CB-CB 4.49Å; C303-L306 WeakPolarHBondContact O-CB 3.42Å; C303-L306 PolarHBondContact O-N 3.09Å; N304-L306 VanDerWaalsContact C-N 3.26Å; N304-L306 PolarHBondContact O-N 3.19Å; L306-A308 WeakPolarHBondContact CD1-O 3.47Å; L306-V309 HydrophobicContact CD2-CG2 4.22Å; L306-I379 HydrophobicContact CD1-CD1 3.75Å; L306-I379 HydrophobicContact CD1-CG2 3.69Å; L306-I379 HydrophobicContact CD2-CD1 3.96Å; L306-I379 HydrophobicContact CG-CD1 4.33Å; L306-F380 HydrophobicContact CD1-CE1 4.41Å
307	D	95.2	Very high	87.4	Confident	60 Å²	60	52.9 Å²	52.9	32%	0.321	28%	0.281	S	S	.	.			trans	-93.7	-35	-176.1	56.8	-9.9	0	0	0	113.2	V270 R272 E305	V270-D307 WeakPolarHBondContact CG1-OD2 3.44Å; R272-D307 IonicContact CZ-OD1 3.59Å; R272-D307 IonicContact NH1-OD1 3.49Å; R272-D307 PolarHBondContact NH1-OD1 3.32Å; R272-D307 IonicContact NH1-OD2 2.64Å; R272-D307 IonicContact NH2-OD1 3.78Å; R272-D307 PolarHBondContact NH2-OD1 2.99Å; E305-D307 PolarHBondContact O-N 3.34Å
308	A	96.5	Very high	85	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-150.8	154.3	177.5	0	0	0	0	0	110.4	V270 R272 L288 T289 L306	V270-A308 HydrophobicContact CG1-CB 3.69Å; R272-A308 PolarHBondContact NH2-O 2.81Å; L288-A308 CarbonylContact O-C 3.55Å; L288-A308 VanDerWaalsContact O-CA 3.22Å; L288-A308 WeakPolarHBondContact O-CA 3Å; L288-A308 WeakPolarHBondContact O-CB 3.3Å; T289-A308 HydrophobicContact CG2-CB 3.98Å; L306-A308 WeakPolarHBondContact CD1-O 3.47Å
309	V	97.4	Very high	82.9	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.1	169.5	176	0	0	0	0	108.9	G287 L288 V293 A297 L306 F324 L347	G287-V309 CarbonylContact C-O 3.59Å; G287-V309 WeakPolarHBondContact CA-O 3.28Å; L288-V309 PolarHBondContact N-O 2.7Å; L288-V309 PolarHBondContact O-N 2.92Å; V293-V309 HydrophobicContact CG1-CB 3.84Å; V293-V309 HydrophobicContact CG1-CG1 4.47Å; V293-V309 HydrophobicContact CG1-CG2 3.59Å; A297-V309 HydrophobicContact CB-CG2 3.44Å; A297-V309 VanDerWaalsContact CB-CG2 3.44Å; L306-V309 HydrophobicContact CD2-CG2 4.22Å; V309-F324 HydrophobicContact CG1-CD1 3.79Å; V309-F324 HydrophobicContact CG1-CE1 3.99Å; V309-L347 HydrophobicContact CG1-CD1 4.4Å; V309-L347 HydrophobicContact CG2-CD1 4.32Å
310	D	95	Very high	81.7	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.011	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	139.8	-174.4	-60.6	-7.3	0	0	0	111.4	R272 R285 E325 L328	R272-D310 IonicContact CZ-OD1 2.73Å; R272-D310 VanDerWaalsContact CZ-OD1 3.23Å; R272-D310 IonicContact CZ-OD2 3.22Å; R272-D310 IonicContact NE-OD1 3.31Å; R272-D310 PolarHBondContact NE-OD1 3.47Å; R272-D310 IonicContact NE-OD2 2.72Å; R272-D310 PolarHBondContact NE-OD2 2.98Å; R272-D310 IonicContact NH2-OD1 2.6Å; R272-D310 PolarHBondContact NH2-OD1 2.89Å; R272-D310 IonicContact NH2-OD2 3.27Å; R285-D310 VanDerWaalsContact CD-OD2 3.27Å; R285-D310 WeakPolarHBondContact CD-OD2 3.48Å; D310-E325 HydrophobicContact CB-CB 3.67Å; D310-E325 HydrophobicContact CB-CG 4.12Å; D310-E325 VanDerWaalsContact O-CB 3.3Å; D310-E325 WeakPolarHBondContact O-CB 3.14Å; D310-E325 PolarHBondContact O-N 3.18Å; D310-L328 HydrophobicContact CB-CD1 4.06Å
311	L	94.4	Very high	81.1	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-103.6	152.2	174.3	-68.1	170.9	0	0	0	110.1	F224 F229 I267 V286 L288 S313 L321 H323 F324	F224-L311 HydrophobicContact CE1-CD2 4.49Å; F224-L311 HydrophobicContact CZ-CD2 4.43Å; F229-L311 HydrophobicContact CE2-CD1 3.73Å; F229-L311 HydrophobicContact CZ-CD1 4.44Å; I267-L311 HydrophobicContact CD1-CD1 3.65Å; I267-L311 HydrophobicContact CG1-CD1 4.34Å; V286-L311 WeakPolarHBondContact O-CB 3.37Å; V286-L311 PolarHBondContact O-N 2.95Å; L288-L311 HydrophobicContact CD1-CD2 3.79Å; L288-L311 HydrophobicContact CD1-CG 4.47Å; L288-L311 HydrophobicContact CD2-CD1 4.07Å; L288-L311 HydrophobicContact CG-CD1 3.91Å; L288-L311 HydrophobicContact CG-CD2 3.84Å; L288-L311 HydrophobicContact CG-CG 3.98Å; L311-S313 PolarHBondContact O-N 2.86Å; L311-L321 HydrophobicContact CB-CB 4.5Å; L311-L321 HydrophobicContact CB-CD2 4.02Å; L311-L321 HydrophobicContact CD1-CB 4.24Å; L311-H323 WeakPolarHBondContact CA-O 3.24Å; L311-H323 VanDerWaalsContact CD2-O 3.24Å; L311-H323 WeakPolarHBondContact CD2-O 3.42Å; L311-F324 HydrophobicContact CD2-CD1 4.37Å
312	E	89.8	Confident	80.9	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.009	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-62.1	123	-180	-176.2	49.1	-121.9	0	0	111.1	D314 L321 H323 R326 P336	E312-D314 WeakPolarHBondContact OE1-CA 3.48Å; E312-D314 VanDerWaalsContact OE1-CB 3.25Å; E312-D314 WeakPolarHBondContact OE1-CB 3.27Å; E312-D314 PolarHBondContact OE1-N 2.77Å; E312-L321 WeakPolarHBondContact O-CA 3.37Å; E312-L321 PolarHBondContact O-N 2.95Å; E312-H323 HydrophobicContact CB-CB 3.97Å; E312-H323 PolarHBondContact N-O 3.22Å; E312-R326 PolarHBondContact OE2-N 2.85Å; E312-P336 HydrophobicContact CB-CG 4.36Å; E312-P336 HydrophobicContact CG-CB 4.06Å; E312-P336 HydrophobicContact CG-CG 3.93Å
313	S	78.6	Confident	80.8	Confident	31 Å²	31	50 Å²	50	22%	0.217	30%	0.295	C	S	.	.			trans	-101.3	-17.4	-176.2	73.7	0	0	0	0	113.5	L311 R320	L311-S313 PolarHBondContact O-N 2.86Å; S313-R320 VanDerWaalsContact O-CZ 3.28Å; S313-R320 PolarHBondContact O-NE 3.33Å; S313-R320 PolarHBondContact O-NH2 2.86Å
314	D	66	Low	80.8	Confident	65 Å²	65	50 Å²	50	35%	0.348	30%	0.295	S	S	.	.			trans	-87.2	143.9	175.9	-70.3	-21	0	0	0	112.1	E312	E312-D314 WeakPolarHBondContact OE1-CA 3.48Å; E312-D314 VanDerWaalsContact OE1-CB 3.25Å; E312-D314 WeakPolarHBondContact OE1-CB 3.27Å; E312-D314 PolarHBondContact OE1-N 2.77Å
315	G	53.3	Low	80.6	Confident	38 Å²	38	43.9 Å²	43.9	39%	0.392	26%	0.262	S	S	.	.			trans	139.4	162.8	179.1	0	0	0	0	0	113.6	R320	G315-R320 WeakPolarHBondContact O-CD 3.1Å; G315-R320 WeakPolarHBondContact O-CG 3.41Å
316	H	47.3	Very low	80.5	Confident	181 Å²	181	36.8 Å²	36.8	84%	0.838	23%	0.229	S	C	*	.	S	Bend	trans	-93.9	148.3	172.8	-60.1	-63.9	0	0	0	110.4
317	G	47.2	Very low	80.3	Confident	71 Å²	71	36.9 Å²	36.9	73%	0.732	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	34.4	108.5	164.8	0	0	0	0	0	118.8	S319	G317-S319 PolarHBondContact O-N 2.94Å
318	G	48.5	Very low	80.3	Confident	67 Å²	67	34.4 Å²	34.4	69%	0.691	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	-32.5	166.6	0	0	0	0	0	116.5	R320	G318-R320 VanDerWaalsContact C-N 3.34Å
319	S	55.1	Low	80.2	Confident	67 Å²	67	34.4 Å²	34.4	47%	0.469	22%	0.216	S	C	.	.			trans	-78.7	-14.5	179.6	-53.2	0	0	0	0	114.2	G317 L321 S322	G317-S319 PolarHBondContact O-N 2.94Å; S319-L321 PolarHBondContact O-N 2.79Å; S319-S322 PolarHBondContact O-N 2.85Å
320	R	71.1	Confident	80.1	Confident	135 Å²	135	34.5 Å²	34.5	51%	0.509	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	135.2	173.1	-63	179	77.3	-179.1	4.1	108.4	S313 G315 G318 S322	S313-R320 VanDerWaalsContact O-CZ 3.28Å; S313-R320 PolarHBondContact O-NE 3.33Å; S313-R320 PolarHBondContact O-NH2 2.86Å; G315-R320 WeakPolarHBondContact O-CD 3.1Å; G315-R320 WeakPolarHBondContact O-CG 3.41Å; G318-R320 VanDerWaalsContact C-N 3.34Å; R320-S322 VanDerWaalsContact C-N 3.25Å; R320-S322 PolarHBondContact O-N 2.78Å
321	L	86.1	Confident	80	Confident	20 Å²	20	35 Å²	35	11%	0.105	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	5.6	179.2	-46	175.9	0	0	0	116.1	Y226 L260 V286 L311 E312 S319	Y226-L321 HydrophobicContact CD2-CB 3.42Å; Y226-L321 VanDerWaalsContact CD2-CB 3.42Å; Y226-L321 HydrophobicContact CD2-CD1 3.59Å; Y226-L321 HydrophobicContact CD2-CG 4.15Å; Y226-L321 HydrophobicContact CE2-CB 4.1Å; Y226-L321 HydrophobicContact CE2-CD1 3.32Å; Y226-L321 HydrophobicContact CE2-CG 4.35Å; Y226-L321 HydrophobicContact CG-CB 3.86Å; Y226-L321 HydrophobicContact CG-CD1 4.35Å; L260-L321 HydrophobicContact CD2-CD1 4Å; V286-L321 HydrophobicContact CB-CD1 4.37Å; V286-L321 HydrophobicContact CB-CD2 3.63Å; V286-L321 HydrophobicContact CG1-CD1 4.13Å; V286-L321 HydrophobicContact CG1-CD2 4.04Å; V286-L321 HydrophobicContact CG2-CD1 4.33Å; V286-L321 HydrophobicContact CG2-CD2 4.06Å; L311-L321 HydrophobicContact CB-CB 4.5Å; L311-L321 HydrophobicContact CB-CD2 4.02Å; L311-L321 HydrophobicContact CD1-CB 4.24Å; E312-L321 WeakPolarHBondContact O-CA 3.37Å; E312-L321 PolarHBondContact O-N 2.95Å; S319-L321 PolarHBondContact O-N 2.79Å
322	S	91.7	Very high	80.1	Confident	3 Å²	3	35 Å²	35	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	-96	9.4	175	-59.1	0	0	0	0	113.2	H220 F224 D225 Y226 S319 R320	H220-S322 PolarHBondContact CE1-O 2.89Å; F224-S322 WeakPolarHBondContact CD1-O 3.46Å; F224-S322 VanDerWaalsContact CE1-O 3.29Å; F224-S322 WeakPolarHBondContact CE1-O 3.15Å; D225-S322 PolarHBondContact OD1-OG 3.15Å; Y226-S322 WeakPolarHBondContact CB-OG 3.01Å; Y226-S322 PolarHBondContact N-OG 2.98Å; Y226-S322 VanDerWaalsContact N-OG 3.09Å; S319-S322 PolarHBondContact O-N 2.85Å; R320-S322 VanDerWaalsContact C-N 3.25Å; R320-S322 PolarHBondContact O-N 2.78Å
323	H	95.2	Very high	80.5	Confident	23 Å²	23	35 Å²	35	11%	0.106	22%	0.222	C	C	.	.	S	Bend	trans	-135.4	156.4	176.6	-55.8	103.8	0	0	0	110.6	H216 H220 L311 E312 M334 P336	H216-H323 AromaticContact CE1-CD2 3.61Å; H216-H323 AromaticContact CE1-NE2 3.61Å; H216-H323 AromaticContact NE2-NE2 3.67Å; H220-H323 AromaticContact CE1-CD2 3.67Å; H220-H323 AromaticContact CE1-NE2 3.4Å; H220-H323 PolarHBondContact CE1-NE2 3.17Å; H220-H323 AromaticContact NE2-CD2 3.73Å; H220-H323 AromaticContact NE2-NE2 3.21Å; H220-H323 PolarHBondContact NE2-NE2 2.98Å; L311-H323 WeakPolarHBondContact CA-O 3.24Å; L311-H323 VanDerWaalsContact CD2-O 3.24Å; L311-H323 WeakPolarHBondContact CD2-O 3.42Å; E312-H323 HydrophobicContact CB-CB 3.97Å; E312-H323 PolarHBondContact N-O 3.22Å; H323-M334 WeakPolarHBondContact CA-O 3.35Å; H323-M334 WeakPolarHBondContact CB-O 3.49Å; H323-P336 HydrophobicContact CB-CB 3.94Å; H323-P336 HydrophobicContact CB-CG 4.42Å
324	F	96.7	Very high	81.4	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-66.8	147.7	165.6	-67.9	-58	0	0	0	110.6	F224 L288 V293 V309 L311 R326 S329 M334 P336 L347	F224-F324 HydrophobicContact CE2-CD2 4.25Å; F224-F324 AromaticContact CE2-CE1 3.93Å; F224-F324 HydrophobicContact CE2-CE1 3.93Å; F224-F324 AromaticContact CE2-CE2 3.56Å; F224-F324 HydrophobicContact CE2-CE2 3.56Å; F224-F324 AromaticContact CE2-CZ 3.38Å; F224-F324 HydrophobicContact CE2-CZ 3.38Å; F224-F324 AromaticContact CZ-CD1 3.96Å; F224-F324 HydrophobicContact CZ-CD1 3.96Å; F224-F324 HydrophobicContact CZ-CD2 4.02Å; F224-F324 AromaticContact CZ-CE1 3.72Å; F224-F324 HydrophobicContact CZ-CE1 3.72Å; F224-F324 AromaticContact CZ-CE2 3.76Å; F224-F324 HydrophobicContact CZ-CE2 3.76Å; F224-F324 HydrophobicContact CZ-CG 4.11Å; F224-F324 AromaticContact CZ-CZ 3.61Å; F224-F324 HydrophobicContact CZ-CZ 3.61Å; L288-F324 HydrophobicContact CD1-CE1 3.88Å; V293-F324 HydrophobicContact CG1-CE1 4.46Å; V309-F324 HydrophobicContact CG1-CD1 3.79Å; V309-F324 HydrophobicContact CG1-CE1 3.99Å; L311-F324 HydrophobicContact CD2-CD1 4.37Å; F324-R326 PolarHBondContact O-N 3.38Å; F324-S329 PolarHBondContact O-OG 2.66Å; F324-M334 HydrophobicContact CD2-CB 3.75Å; F324-M334 HydrophobicContact CE2-CB 3.97Å; F324-M334 PolarHBondContact N-O 3.05Å; F324-P336 WeakPolarHBondContact O-CD 3.46Å; F324-L347 HydrophobicContact CD1-CD2 4.2Å; F324-L347 HydrophobicContact CD2-CD2 3.85Å; F324-L347 HydrophobicContact CD2-CG 4.37Å; F324-L347 HydrophobicContact CE1-CD1 4.44Å; F324-L347 HydrophobicContact CE1-CD2 4.09Å; F324-L347 HydrophobicContact CE1-CG 4.08Å; F324-L347 HydrophobicContact CE2-CD2 3.75Å; F324-L347 HydrophobicContact CE2-CG 3.76Å; F324-L347 HydrophobicContact CG-CD2 4.09Å; F324-L347 HydrophobicContact CZ-CD1 4.29Å; F324-L347 HydrophobicContact CZ-CD2 3.87Å; F324-L347 HydrophobicContact CZ-CG 3.58Å
325	E	94.7	Very high	82.7	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	20%	0.195	C	C	.	.			trans	-54.5	118.8	173.7	167.9	49	-130.2	0	0	110.9	R285 D310 R327 L328 S329	R285-E325 IonicContact CZ-OE2 2.68Å; R285-E325 IonicContact NH1-OE1 2.94Å; R285-E325 IonicContact NH1-OE2 3.31Å; R285-E325 PolarHBondContact NH1-OE2 3.34Å; D310-E325 HydrophobicContact CB-CB 3.67Å; D310-E325 HydrophobicContact CB-CG 4.12Å; D310-E325 VanDerWaalsContact O-CB 3.3Å; D310-E325 WeakPolarHBondContact O-CB 3.14Å; D310-E325 PolarHBondContact O-N 3.18Å; E325-R327 HydrophobicContact CG-CB 4.25Å; E325-R327 PolarHBondContact O-N 3.09Å; E325-R327 VanDerWaalsContact O-N 3.12Å; E325-R327 WeakPolarHBondContact OE1-CB 3.4Å; E325-R327 WeakPolarHBondContact OE1-CG 3.14Å; E325-R327 PolarHBondContact OE1-N 3.12Å; E325-L328 HydrophobicContact CG-CD1 4.49Å; E325-L328 HydrophobicContact CG-CG 4.18Å; E325-L328 PolarHBondContact O-N 2.65Å; E325-S329 PolarHBondContact O-N 3.33Å; E325-S329 VanDerWaalsContact O-N 3.11Å; E325-S329 PolarHBondContact O-OG 3.35Å; E325-S329 VanDerWaalsContact O-OG 3.09Å
326	R	93.7	Very high	84.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.9	-170.9	172.9	61.7	-179.7	158	1	112.6	E312 F324 L328 S329 I330 S335 P336 D339 D453 H455 A456 Y461	E312-R326 PolarHBondContact OE2-N 2.85Å; F324-R326 PolarHBondContact O-N 3.38Å; R326-L328 PolarHBondContact O-N 2.77Å; R326-S329 WeakPolarHBondContact CA-OG 3.33Å; R326-S329 PolarHBondContact O-N 3.06Å; R326-S329 VanDerWaalsContact O-N 3.13Å; R326-I330 VanDerWaalsContact NH1-CA 3.34Å; R326-I330 WeakPolarHBondContact O-CG1 3.34Å; R326-I330 PolarHBondContact O-N 3.24Å; R326-S335 WeakPolarHBondContact CD-OG 3.28Å; R326-S335 PolarHBondContact NH1-OG 3.18Å; R326-P336 HydrophobicContact CB-CG 3.82Å; R326-D339 IonicContact CZ-OD1 3.78Å; R326-D339 IonicContact CZ-OD2 3.72Å; R326-D339 IonicContact NH1-OD1 3.71Å; R326-D339 IonicContact NH1-OD2 3.93Å; R326-D339 PolarHBondContact NH1-OD2 3.38Å; R326-D339 IonicContact NH2-OD1 3.08Å; R326-D339 PolarHBondContact NH2-OD1 3.5Å; R326-D339 IonicContact NH2-OD2 2.8Å; R326-D339 PolarHBondContact NH2-OD2 2.68Å; R326-D453 IonicContact CZ-OD2 2.73Å; R326-D453 IonicContact NE-OD2 3.51Å; R326-D453 PolarHBondContact NE-OD2 3.42Å; R326-D453 IonicContact NH2-OD2 3.17Å; R326-D453 PolarHBondContact NH2-OD2 3.02Å; R326-H455 HydrophobicContact CB-CB 3.76Å; R326-H455 VanDerWaalsContact CB-O 3.3Å; R326-H455 WeakPolarHBondContact CB-O 3.17Å; R326-H455 HydrophobicContact CG-CB 3.87Å; R326-A456 HydrophobicContact CG-CB 3.93Å; R326-Y461 PolarHBondContact NH2-OH 2.74Å
327	R	92.7	Very high	86.4	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.015	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	178.5	-72.8	174.4	44.1	131.3	-7.5	113.8	W274 E325 W370 E381 W396 A456 D457 C459	W274-R327 VanDerWaalsContact CZ2-NH1 3.32Å; E325-R327 HydrophobicContact CG-CB 4.25Å; E325-R327 PolarHBondContact O-N 3.09Å; E325-R327 VanDerWaalsContact O-N 3.12Å; E325-R327 WeakPolarHBondContact OE1-CB 3.4Å; E325-R327 WeakPolarHBondContact OE1-CG 3.14Å; E325-R327 PolarHBondContact OE1-N 3.12Å; R327-W370 PolarHBondContact O-NE1 3.19Å; R327-E381 PolarHBondContact NH2-O 3.18Å; R327-W396 HydrophobicContact CB-CH2 3.77Å; R327-W396 HydrophobicContact CB-CZ2 4.24Å; R327-W396 HydrophobicContact CG-CH2 3.84Å; R327-W396 HydrophobicContact CG-CZ2 4.46Å; R327-A456 HydrophobicContact CG-CB 4.26Å; R327-A456 VanDerWaalsContact CG-O 3.29Å; R327-A456 WeakPolarHBondContact CG-O 3.23Å; R327-D457 WeakPolarHBondContact CD-OD2 3.01Å; R327-D457 IonicContact NE-OD2 3.4Å; R327-C459 PolarHBondContact NH1-SG 2.88Å
328	L	94.8	Very high	88.3	Confident	9 Å²	9	22 Å²	22	5%	0.047	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-15.1	-178.9	-56.6	-175.8	0	0	0	112.1	F301 D310 E325 R326 W368 L378 I379	F301-L328 HydrophobicContact CZ-CB 4.25Å; F301-L328 WeakPolarHBondContact CZ-O 3.5Å; D310-L328 HydrophobicContact CB-CD1 4.06Å; E325-L328 HydrophobicContact CG-CD1 4.49Å; E325-L328 HydrophobicContact CG-CG 4.18Å; E325-L328 PolarHBondContact O-N 2.65Å; R326-L328 PolarHBondContact O-N 2.77Å; L328-W368 VanDerWaalsContact O-CH2 3.23Å; L328-W368 WeakPolarHBondContact O-CH2 3.46Å; L328-W368 WeakPolarHBondContact O-CZ2 3.29Å; L328-L378 HydrophobicContact CD2-CG 4.22Å; L328-I379 HydrophobicContact CD1-CG1 4.45Å; L328-I379 HydrophobicContact CD1-CG2 4.06Å; L328-I379 HydrophobicContact CD2-CB 4.47Å; L328-I379 HydrophobicContact CD2-CG1 4.01Å
329	S	95.5	Very high	90.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.			trans	-121.2	25.8	-168.9	72.8	0	0	0	0	114.3	F324 E325 R326 G331 E332 S335	F324-S329 PolarHBondContact O-OG 2.66Å; E325-S329 PolarHBondContact O-N 3.33Å; E325-S329 VanDerWaalsContact O-N 3.11Å; E325-S329 PolarHBondContact O-OG 3.35Å; E325-S329 VanDerWaalsContact O-OG 3.09Å; R326-S329 WeakPolarHBondContact CA-OG 3.33Å; R326-S329 PolarHBondContact O-N 3.06Å; R326-S329 VanDerWaalsContact O-N 3.13Å; S329-G331 PolarHBondContact O-N 2.92Å; S329-E332 WeakPolarHBondContact O-CB 3.24Å; S329-E332 PolarHBondContact O-N 2.99Å; S329-S335 WeakPolarHBondContact O-CB 3.37Å; S329-S335 WeakPolarHBondContact OG-CB 3.24Å
330	I	94.3	Very high	91.8	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	128.3	179.3	-54.8	-169	0	0	0	111.3	R326 E332 W368 W370 W396 Y461	R326-I330 VanDerWaalsContact NH1-CA 3.34Å; R326-I330 WeakPolarHBondContact O-CG1 3.34Å; R326-I330 PolarHBondContact O-N 3.24Å; I330-E332 PolarHBondContact O-N 3.17Å; I330-W368 PolarHBondContact O-NE1 2.99Å; I330-W370 HydrophobicContact CB-CD2 3.56Å; I330-W370 HydrophobicContact CB-CE3 3.98Å; I330-W370 HydrophobicContact CB-CG 3.76Å; I330-W370 HydrophobicContact CB-CZ2 4.28Å; I330-W370 HydrophobicContact CB-CZ3 4.49Å; I330-W370 HydrophobicContact CD1-CD2 4.28Å; I330-W370 HydrophobicContact CD1-CE3 4.41Å; I330-W370 HydrophobicContact CD1-CH2 3.59Å; I330-W370 HydrophobicContact CD1-CZ2 3.4Å; I330-W370 HydrophobicContact CD1-CZ3 4.08Å; I330-W370 HydrophobicContact CG1-CD2 4.07Å; I330-W370 HydrophobicContact CG1-CH2 4.4Å; I330-W370 HydrophobicContact CG1-CZ2 3.86Å; I330-W370 HydrophobicContact CG2-CD2 4.31Å; I330-W370 HydrophobicContact CG2-CE3 4.23Å; I330-W370 WeakPolarHBondContact O-CB 2.94Å; I330-W396 HydrophobicContact CD1-CZ3 4.4Å; I330-Y461 HydrophobicContact CD1-CD1 3.44Å; I330-Y461 VanDerWaalsContact CD1-CD1 3.44Å; I330-Y461 HydrophobicContact CD1-CD2 3.8Å; I330-Y461 HydrophobicContact CD1-CE1 3.59Å; I330-Y461 HydrophobicContact CD1-CE2 3.95Å; I330-Y461 HydrophobicContact CD1-CG 3.56Å; I330-Y461 HydrophobicContact CG2-CD2 4.4Å; I330-Y461 HydrophobicContact CG2-CE2 4.14Å
331	G	94.1	Very high	92.5	Very high	14 Å²	14	13 Å²	13	14%	0.144	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	6.4	-174.2	0	0	0	0	0	114.6	S329 D339 A342 S343	S329-G331 PolarHBondContact O-N 2.92Å; G331-D339 VanDerWaalsContact CA-OD2 3.27Å; G331-D339 WeakPolarHBondContact CA-OD2 3.27Å; G331-D339 PolarHBondContact N-OD2 3.46Å; G331-A342 WeakPolarHBondContact O-CA 3.42Å; G331-S343 PolarHBondContact O-N 2.83Å
332	E	96.6	Very high	92.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-91.8	142.4	174.6	-144.2	-67.7	141.3	0	0	110	S329 I330 M334 S335 S345 L347 T348 W368	S329-E332 WeakPolarHBondContact O-CB 3.24Å; S329-E332 PolarHBondContact O-N 2.99Å; I330-E332 PolarHBondContact O-N 3.17Å; E332-M334 VanDerWaalsContact C-N 3.34Å; E332-M334 PolarHBondContact O-N 2.9Å; E332-M334 PolarHBondContact OE2-N 3.36Å; E332-S335 WeakPolarHBondContact O-CB 3.17Å; E332-S335 PolarHBondContact O-N 2.87Å; E332-S345 WeakPolarHBondContact CG-OG 3.31Å; E332-S345 WeakPolarHBondContact OE1-CB 3.34Å; E332-S345 PolarHBondContact OE1-N 3.04Å; E332-S345 VanDerWaalsContact OE1-N 3.17Å; E332-S345 PolarHBondContact OE1-OG 2.97Å; E332-L347 HydrophobicContact CG-CD2 4.5Å; E332-T348 VanDerWaalsContact OE1-CB 3.27Å; E332-T348 WeakPolarHBondContact OE1-CB 3.49Å; E332-T348 PolarHBondContact OE1-OG1 3.24Å; E332-T348 PolarHBondContact OE2-OG1 3.45Å; E332-W368 HydrophobicContact CB-CZ2 4.13Å; E332-W368 HydrophobicContact CG-CD2 4.13Å; E332-W368 HydrophobicContact CG-CE3 4.44Å; E332-W368 HydrophobicContact CG-CH2 4.48Å; E332-W368 HydrophobicContact CG-CZ2 4.19Å
333	V	97.4	Very high	93	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.8	-173.6	76.7	0	0	0	0	114.3	I215 H216 S335 S343 V344 T348	I215-V333 HydrophobicContact CB-CG2 4.48Å; I215-V333 HydrophobicContact CG2-CG2 3.85Å; H216-V333 HydrophobicContact CB-CG2 4.04Å; H216-V333 PolarHBondContact ND1-O 2.82Å; V333-S335 VanDerWaalsContact C-N 3.34Å; V333-S343 PolarHBondContact N-O 3.35Å; V333-V344 HydrophobicContact CB-CG2 4.09Å; V333-V344 HydrophobicContact CG1-CB 4.19Å; V333-V344 HydrophobicContact CG1-CG1 4.2Å; V333-V344 HydrophobicContact CG1-CG2 3.9Å; V333-V344 HydrophobicContact CG2-CG2 4.19Å; V333-T348 HydrophobicContact CG1-CG2 3.96Å
334	M	96.9	Very high	93.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	18.9	179.7	-62.3	-51.7	-50.5	0	0	113	H220 F224 H323 F324 E332 T348	H220-M334 VanDerWaalsContact CE1-CE 3.44Å; H220-M334 WeakPolarHBondContact CE1-CE 3.29Å; F224-M334 HydrophobicContact CB-CE 3.8Å; F224-M334 HydrophobicContact CB-SD 4.45Å; F224-M334 HydrophobicContact CD1-CE 3.74Å; F224-M334 HydrophobicContact CD2-CB 4.38Å; F224-M334 HydrophobicContact CD2-CE 4.42Å; F224-M334 HydrophobicContact CD2-CG 3.91Å; F224-M334 HydrophobicContact CE1-CB 4.47Å; F224-M334 HydrophobicContact CE1-CE 4.47Å; F224-M334 HydrophobicContact CE2-CB 4.2Å; F224-M334 HydrophobicContact CE2-CG 4.17Å; F224-M334 HydrophobicContact CG-CE 3.73Å; F224-M334 HydrophobicContact CG-CG 4.17Å; F224-M334 HydrophobicContact CG-SD 4.45Å; F224-M334 HydrophobicContact CZ-CB 4.25Å; H323-M334 WeakPolarHBondContact CA-O 3.35Å; H323-M334 WeakPolarHBondContact CB-O 3.49Å; F324-M334 HydrophobicContact CD2-CB 3.75Å; F324-M334 HydrophobicContact CE2-CB 3.97Å; F324-M334 PolarHBondContact N-O 3.05Å; E332-M334 VanDerWaalsContact C-N 3.34Å; E332-M334 PolarHBondContact O-N 2.9Å; E332-M334 PolarHBondContact OE2-N 3.36Å; M334-T348 HydrophobicContact CG-CG2 3.86Å; M334-T348 WeakPolarHBondContact CG-OG1 3.4Å
335	S	94.8	Very high	93.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-63.7	146.7	162.2	167.9	0	0	0	0	110.4	H216 R326 S329 E332 V333 K337	H216-S335 PolarHBondContact CE1-O 3.26Å; R326-S335 WeakPolarHBondContact CD-OG 3.28Å; R326-S335 PolarHBondContact NH1-OG 3.18Å; S329-S335 WeakPolarHBondContact O-CB 3.37Å; S329-S335 WeakPolarHBondContact OG-CB 3.24Å; E332-S335 WeakPolarHBondContact O-CB 3.17Å; E332-S335 PolarHBondContact O-N 2.87Å; V333-S335 VanDerWaalsContact C-N 3.34Å; S335-K337 WeakPolarHBondContact CB-O 3.44Å; S335-K337 PolarHBondContact O-N 2.89Å; S335-K337 VanDerWaalsContact O-N 3.12Å; S335-K337 PolarHBondContact OG-N 3.2Å; S335-K337 PolarHBondContact OG-O 2.73Å
336	P	90.2	Very high	93.4	Very high	28 Å²	28	11.9 Å²	11.9	18%	0.182	7%	0.067	C	C	.	.	S	Bend	trans	-63.2	-20.9	179.7	27	-37.5	0	0	0	113.3	E312 H323 F324 R326 H455	E312-P336 HydrophobicContact CB-CG 4.36Å; E312-P336 HydrophobicContact CG-CB 4.06Å; E312-P336 HydrophobicContact CG-CG 3.93Å; H323-P336 HydrophobicContact CB-CB 3.94Å; H323-P336 HydrophobicContact CB-CG 4.42Å; F324-P336 WeakPolarHBondContact O-CD 3.46Å; R326-P336 HydrophobicContact CB-CG 3.82Å; P336-H455 HydrophobicContact CG-CB 3.97Å
337	K	87.4	Confident	93.7	Very high	66 Å²	66	12 Å²	12	29%	0.287	7%	0.067	S	C	.	.	S	Bend	trans	-114.5	124.8	169.7	-176.3	175.6	-179.6	176	0	109.3	S335 D339	S335-K337 WeakPolarHBondContact CB-O 3.44Å; S335-K337 PolarHBondContact O-N 2.89Å; S335-K337 VanDerWaalsContact O-N 3.12Å; S335-K337 PolarHBondContact OG-N 3.2Å; S335-K337 PolarHBondContact OG-O 2.73Å; K337-D339 PolarHBondContact O-N 3.17Å
338	V	85.8	Confident	93.9	Very high	19 Å²	19	11.8 Å²	11.8	12%	0.115	7%	0.067	C	C	.	.			trans	-78.5	113.9	176	-177	0	0	0	0	109.5	R212 I213 H216 A342	R212-V338 HydrophobicContact CB-CG1 4.32Å; I213-V338 HydrophobicContact CG1-CB 4.29Å; I213-V338 HydrophobicContact CG1-CG1 3.99Å; H216-V338 HydrophobicContact CB-CG2 3.83Å; V338-A342 HydrophobicContact CG1-CB 4.37Å
339	D	90.1	Very high	94.1	Very high	33 Å²	33	11.3 Å²	11.3	18%	0.176	6%	0.064	C	C	.	.			trans	-75.8	148.6	168.8	-60.5	-69.2	0	0	0	110.1	R326 G331 K337 M341 A342	R326-D339 IonicContact CZ-OD1 3.78Å; R326-D339 IonicContact CZ-OD2 3.72Å; R326-D339 IonicContact NH1-OD1 3.71Å; R326-D339 IonicContact NH1-OD2 3.93Å; R326-D339 PolarHBondContact NH1-OD2 3.38Å; R326-D339 IonicContact NH2-OD1 3.08Å; R326-D339 PolarHBondContact NH2-OD1 3.5Å; R326-D339 IonicContact NH2-OD2 2.8Å; R326-D339 PolarHBondContact NH2-OD2 2.68Å; G331-D339 VanDerWaalsContact CA-OD2 3.27Å; G331-D339 WeakPolarHBondContact CA-OD2 3.27Å; G331-D339 PolarHBondContact N-OD2 3.46Å; K337-D339 PolarHBondContact O-N 3.17Å; D339-M341 PolarHBondContact O-N 2.98Å; D339-A342 HydrophobicContact CB-CB 4.44Å; D339-A342 VanDerWaalsContact O-CB 3.31Å; D339-A342 WeakPolarHBondContact O-CB 3.42Å; D339-A342 PolarHBondContact O-N 2.72Å
340	I	87.1	Confident	94.3	Very high	4 Å²	4	11.6 Å²	11.6	2%	0.021	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-37.6	-172.2	-63.9	-179.6	0	0	0	112.9	E209 R212 M464 N466 N474	E209-I340 HydrophobicContact CB-CG2 4.35Å; E209-I340 HydrophobicContact CG-CG1 4.33Å; R212-I340 WeakPolarHBondContact CG-O 3.38Å; I340-M464 HydrophobicContact CD1-CE 4.06Å; I340-N466 HydrophobicContact CD1-CB 4.02Å; I340-N466 WeakPolarHBondContact CD1-OD1 3.42Å; I340-N474 HydrophobicContact CD1-CB 3.48Å; I340-N474 VanDerWaalsContact CD1-CB 3.48Å
341	M	86.2	Confident	94.5	Very high	45 Å²	45	11.4 Å²	11.4	22%	0.222	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	38.1	179.1	-69	-71.6	125.9	0	0	111.8	D339 S343 H476 D479	D339-M341 PolarHBondContact O-N 2.98Å; M341-S343 PolarHBondContact O-N 2.93Å; M341-H476 HydrophobicContact CG-CB 4.28Å; M341-D479 HydrophobicContact CE-CB 4.18Å; M341-D479 HydrophobicContact SD-CB 4.49Å
342	A	93.9	Very high	94.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.			trans	-55.4	133.2	178.7	0	0	0	0	0	111.9	R212 G331 V338 D339	R212-A342 WeakPolarHBondContact CD-O 3.48Å; R212-A342 PolarHBondContact NE-O 3.07Å; R212-A342 PolarHBondContact NH1-O 3.3Å; G331-A342 WeakPolarHBondContact O-CA 3.42Å; V338-A342 HydrophobicContact CG1-CB 4.37Å; D339-A342 HydrophobicContact CB-CB 4.44Å; D339-A342 VanDerWaalsContact O-CB 3.31Å; D339-A342 WeakPolarHBondContact O-CB 3.42Å; D339-A342 PolarHBondContact O-N 2.72Å
343	S	95.5	Very high	94.8	Very high	19 Å²	19	15.4 Å²	15.4	13%	0.133	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-92	133.5	-177	-71.8	0	0	0	0	110.5	G331 V333 M341 S345 P367	G331-S343 PolarHBondContact O-N 2.83Å; V333-S343 PolarHBondContact N-O 3.35Å; M341-S343 PolarHBondContact O-N 2.93Å; S343-S345 VanDerWaalsContact C-N 3.26Å; S343-S345 PolarHBondContact O-N 3.26Å; S343-P367 WeakPolarHBondContact CB-O 3.49Å; S343-P367 PolarHBondContact OG-O 3.08Å
344	V	98.1	Very high	94.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.			trans	-76.1	89.4	160.6	-170.7	0	0	0	0	107.7	F78 W79 I215 V333 T348 L349 E366	F78-V344 HydrophobicContact CD1-CG2 4.13Å; F78-V344 HydrophobicContact CE1-CB 3.62Å; F78-V344 HydrophobicContact CE1-CG1 3.75Å; F78-V344 HydrophobicContact CE1-CG2 3.39Å; F78-V344 HydrophobicContact CE2-CB 4.49Å; F78-V344 HydrophobicContact CZ-CB 3.47Å; F78-V344 VanDerWaalsContact CZ-CB 3.47Å; F78-V344 HydrophobicContact CZ-CG1 3.87Å; F78-V344 HydrophobicContact CZ-CG2 3.64Å; W79-V344 HydrophobicContact CH2-CG1 4.17Å; I215-V344 HydrophobicContact CG2-CG2 3.48Å; I215-V344 VanDerWaalsContact CG2-CG2 3.48Å; V333-V344 HydrophobicContact CB-CG2 4.09Å; V333-V344 HydrophobicContact CG1-CB 4.19Å; V333-V344 HydrophobicContact CG1-CG1 4.2Å; V333-V344 HydrophobicContact CG1-CG2 3.9Å; V333-V344 HydrophobicContact CG2-CG2 4.19Å; V344-T348 HydrophobicContact CG1-CG2 3.94Å; V344-L349 HydrophobicContact CG1-CD2 3.9Å; V344-L349 HydrophobicContact CG1-CG 4.18Å; V344-E366 PolarHBondContact N-OE2 3.48Å; V344-E366 PolarHBondContact O-N 2.91Å
345	S	98.1	Very high	94.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.			trans	-77.4	173.9	-172.9	75.7	0	0	0	0	111.7	E332 S343 L347 T348 L349	E332-S345 WeakPolarHBondContact CG-OG 3.31Å; E332-S345 WeakPolarHBondContact OE1-CB 3.34Å; E332-S345 PolarHBondContact OE1-N 3.04Å; E332-S345 VanDerWaalsContact OE1-N 3.17Å; E332-S345 PolarHBondContact OE1-OG 2.97Å; S343-S345 VanDerWaalsContact C-N 3.26Å; S343-S345 PolarHBondContact O-N 3.26Å; S345-L347 PolarHBondContact O-N 3.19Å; S345-L347 VanDerWaalsContact OG-CB 3.24Å; S345-L347 WeakPolarHBondContact OG-CB 3.13Å; S345-L347 PolarHBondContact OG-N 2.94Å; S345-T348 PolarHBondContact O-N 2.84Å; S345-L349 PolarHBondContact O-N 3.07Å; S345-L349 VanDerWaalsContact O-N 3.15Å
346	G	98.6	Very high	95.1	Very high	4 Å²	4	16.4 Å²	16.4	4%	0.041	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-17.6	169	0	0	0	0	0	113.4	S350	G346-S350 WeakPolarHBondContact O-CB 3.48Å; G346-S350 PolarHBondContact O-N 3.34Å; G346-S350 PolarHBondContact O-OG 3.14Å
347	L	98.7	Very high	95.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-67.3	-56.4	174.6	-175.5	65.1	0	0	0	110.5	V293 F296 A297 V309 F324 E332 S345 L349 S350 F351 W368	V293-L347 HydrophobicContact CG1-CD1 3.95Å; F296-L347 HydrophobicContact CD1-CB 3.7Å; F296-L347 HydrophobicContact CD1-CD1 3.89Å; F296-L347 HydrophobicContact CD1-CG 4.41Å; F296-L347 HydrophobicContact CE1-CB 3.65Å; F296-L347 VanDerWaalsContact CE1-N 3.3Å; A297-L347 HydrophobicContact CB-CD1 4.33Å; V309-L347 HydrophobicContact CG1-CD1 4.4Å; V309-L347 HydrophobicContact CG2-CD1 4.32Å; F324-L347 HydrophobicContact CD1-CD2 4.2Å; F324-L347 HydrophobicContact CD2-CD2 3.85Å; F324-L347 HydrophobicContact CD2-CG 4.37Å; F324-L347 HydrophobicContact CE1-CD1 4.44Å; F324-L347 HydrophobicContact CE1-CD2 4.09Å; F324-L347 HydrophobicContact CE1-CG 4.08Å; F324-L347 HydrophobicContact CE2-CD2 3.75Å; F324-L347 HydrophobicContact CE2-CG 3.76Å; F324-L347 HydrophobicContact CG-CD2 4.09Å; F324-L347 HydrophobicContact CZ-CD1 4.29Å; F324-L347 HydrophobicContact CZ-CD2 3.87Å; F324-L347 HydrophobicContact CZ-CG 3.58Å; E332-L347 HydrophobicContact CG-CD2 4.5Å; S345-L347 PolarHBondContact O-N 3.19Å; S345-L347 VanDerWaalsContact OG-CB 3.24Å; S345-L347 WeakPolarHBondContact OG-CB 3.13Å; S345-L347 PolarHBondContact OG-N 2.94Å; L347-L349 PolarHBondContact O-N 3.24Å; L347-S350 WeakPolarHBondContact O-CB 3.31Å; L347-S350 PolarHBondContact O-N 2.99Å; L347-S350 VanDerWaalsContact O-N 3.11Å; L347-F351 PolarHBondContact O-N 3.04Å; L347-W368 HydrophobicContact CB-CZ3 4.33Å; L347-W368 HydrophobicContact CD2-CH2 4.23Å; L347-W368 HydrophobicContact CD2-CZ3 4.24Å
348	T	98.7	Very high	96	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.1	-44.6	176.2	-72.9	0	0	0	0	111.7	W79 E332 V333 M334 V344 S345 S350 F351 F352	W79-T348 HydrophobicContact CH2-CG2 3.88Å; E332-T348 VanDerWaalsContact OE1-CB 3.27Å; E332-T348 WeakPolarHBondContact OE1-CB 3.49Å; E332-T348 PolarHBondContact OE1-OG1 3.24Å; E332-T348 PolarHBondContact OE2-OG1 3.45Å; V333-T348 HydrophobicContact CG1-CG2 3.96Å; M334-T348 HydrophobicContact CG-CG2 3.86Å; M334-T348 WeakPolarHBondContact CG-OG1 3.4Å; V344-T348 HydrophobicContact CG1-CG2 3.94Å; S345-T348 PolarHBondContact O-N 2.84Å; T348-S350 VanDerWaalsContact C-N 3.28Å; T348-S350 PolarHBondContact O-N 2.91Å; T348-F351 WeakPolarHBondContact O-CB 3.24Å; T348-F351 PolarHBondContact O-N 3.02Å; T348-F351 VanDerWaalsContact O-N 3.13Å; T348-F352 HydrophobicContact CG2-CD2 3.9Å; T348-F352 HydrophobicContact CG2-CE2 3.69Å; T348-F352 VanDerWaalsContact O-CD2 3.27Å; T348-F352 WeakPolarHBondContact O-CD2 3.37Å; T348-F352 PolarHBondContact O-N 2.95Å; T348-F352 VanDerWaalsContact O-N 3.13Å
349	L	98.9	Very high	96.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.8	-33.6	176.9	-67	-170.6	0	0	0	112.7	W79 A82 V344 S345 L347 F351 F352 K353 V360 M362 M364 A365	W79-L349 HydrophobicContact CZ3-CD2 4.38Å; A82-L349 HydrophobicContact CB-CD2 4.09Å; V344-L349 HydrophobicContact CG1-CD2 3.9Å; V344-L349 HydrophobicContact CG1-CG 4.18Å; S345-L349 PolarHBondContact O-N 3.07Å; S345-L349 VanDerWaalsContact O-N 3.15Å; L347-L349 PolarHBondContact O-N 3.24Å; L349-F351 VanDerWaalsContact C-N 3.34Å; L349-F352 PolarHBondContact O-N 3.26Å; L349-K353 PolarHBondContact O-N 2.98Å; L349-V360 HydrophobicContact CB-CG1 3.84Å; L349-V360 HydrophobicContact CD1-CG1 4.43Å; L349-V360 HydrophobicContact CD2-CG1 4.16Å; L349-V360 HydrophobicContact CG-CG1 4.36Å; L349-M362 HydrophobicContact CB-CE 4.31Å; L349-M362 HydrophobicContact CB-SD 3.83Å; L349-M364 HydrophobicContact CD1-CB 4.4Å; L349-A365 HydrophobicContact CD1-CB 3.96Å
350	S	98.8	Very high	97	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-67.1	-34.7	174.1	-63.8	0	0	0	0	112.2	G346 L347 T348 K353 D354	G346-S350 WeakPolarHBondContact O-CB 3.48Å; G346-S350 PolarHBondContact O-N 3.34Å; G346-S350 PolarHBondContact O-OG 3.14Å; L347-S350 WeakPolarHBondContact O-CB 3.31Å; L347-S350 PolarHBondContact O-N 2.99Å; L347-S350 VanDerWaalsContact O-N 3.11Å; T348-S350 VanDerWaalsContact C-N 3.28Å; T348-S350 PolarHBondContact O-N 2.91Å; S350-K353 WeakPolarHBondContact O-CB 3.46Å; S350-K353 PolarHBondContact O-N 3.5Å; S350-D354 PolarHBondContact O-N 2.86Å
351	F	98.7	Very high	97.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-53.8	170.6	170.7	-89.4	0	0	0	110.5	G223 F224 F229 L232 L288 L290 V293 L347 T348 L349 K353 D354 T355	G223-F351 WeakPolarHBondContact O-CZ 3.3Å; F224-F351 HydrophobicContact CB-CD1 4.24Å; F224-F351 HydrophobicContact CB-CE1 3.76Å; F224-F351 HydrophobicContact CB-CZ 4.24Å; F224-F351 HydrophobicContact CD2-CB 4.17Å; F224-F351 AromaticContact CD2-CD1 3.32Å; F224-F351 HydrophobicContact CD2-CD1 3.32Å; F224-F351 AromaticContact CD2-CD2 3.92Å; F224-F351 HydrophobicContact CD2-CD2 3.92Å; F224-F351 AromaticContact CD2-CE1 3.59Å; F224-F351 HydrophobicContact CD2-CE1 3.59Å; F224-F351 HydrophobicContact CD2-CE2 4.15Å; F224-F351 AromaticContact CD2-CG 3.51Å; F224-F351 HydrophobicContact CD2-CG 3.51Å; F224-F351 HydrophobicContact CD2-CZ 4.01Å; F224-F351 HydrophobicContact CE2-CB 4.01Å; F224-F351 AromaticContact CE2-CD1 3.97Å; F224-F351 HydrophobicContact CE2-CD1 3.97Å; F224-F351 AromaticContact CE2-CD2 3.81Å; F224-F351 HydrophobicContact CE2-CD2 3.81Å; F224-F351 HydrophobicContact CE2-CE1 4.44Å; F224-F351 HydrophobicContact CE2-CE2 4.29Å; F224-F351 AromaticContact CE2-CG 3.64Å; F224-F351 HydrophobicContact CE2-CG 3.64Å; F224-F351 HydrophobicContact CG-CD1 4.12Å; F224-F351 AromaticContact CG-CE1 3.92Å; F224-F351 HydrophobicContact CG-CE1 3.92Å; F224-F351 HydrophobicContact CG-CZ 4.16Å; F229-F351 HydrophobicContact CD1-CE2 4.09Å; F229-F351 HydrophobicContact CD1-CZ 4.17Å; F229-F351 AromaticContact CE1-CE2 3.56Å; F229-F351 HydrophobicContact CE1-CE2 3.56Å; F229-F351 AromaticContact CE1-CZ 3.68Å; F229-F351 HydrophobicContact CE1-CZ 3.68Å; F229-F351 HydrophobicContact CZ-CE2 4.33Å; L232-F351 HydrophobicContact CD1-CE2 4.5Å; L288-F351 HydrophobicContact CD1-CD2 3.94Å; L288-F351 HydrophobicContact CD1-CE2 4.33Å; L290-F351 HydrophobicContact CD1-CD2 3.73Å; L290-F351 HydrophobicContact CD1-CE2 3.97Å; V293-F351 VanDerWaalsContact CG2-CA 3.42Å; V293-F351 HydrophobicContact CG2-CB 3.88Å; L347-F351 PolarHBondContact O-N 3.04Å; T348-F351 WeakPolarHBondContact O-CB 3.24Å; T348-F351 PolarHBondContact O-N 3.02Å; T348-F351 VanDerWaalsContact O-N 3.13Å; L349-F351 VanDerWaalsContact C-N 3.34Å; F351-K353 PolarHBondContact O-N 3.08Å; F351-D354 PolarHBondContact O-N 3.26Å; F351-T355 HydrophobicContact CD1-CG2 4.18Å; F351-T355 HydrophobicContact CE1-CG2 3.76Å; F351-T355 HydrophobicContact CZ-CG2 4.14Å; F351-T355 WeakPolarHBondContact O-CG2 3.41Å; F351-T355 PolarHBondContact O-N 2.96Å; F351-T355 VanDerWaalsContact O-N 3.07Å
352	F	98.7	Very high	98.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.6	-32.1	179.9	-78	-72.3	0	0	0	112.9	W79 I83 G219 F222 F224 T348 L349 T355 Y358 V360	W79-F352 AromaticContact CH2-CD2 3.7Å; W79-F352 HydrophobicContact CH2-CD2 3.7Å; W79-F352 AromaticContact CH2-CE2 3.23Å; W79-F352 HydrophobicContact CH2-CE2 3.23Å; W79-F352 AromaticContact CH2-CZ 3.89Å; W79-F352 HydrophobicContact CH2-CZ 3.89Å; W79-F352 HydrophobicContact CZ2-CE2 4.22Å; W79-F352 AromaticContact CZ3-CD2 3.65Å; W79-F352 HydrophobicContact CZ3-CD2 3.65Å; W79-F352 AromaticContact CZ3-CE2 3.58Å; W79-F352 HydrophobicContact CZ3-CE2 3.58Å; W79-F352 HydrophobicContact CZ3-CG 4.29Å; W79-F352 HydrophobicContact CZ3-CZ 4.13Å; I83-F352 HydrophobicContact CD1-CD1 4.19Å; I83-F352 HydrophobicContact CG2-CB 4.1Å; I83-F352 HydrophobicContact CG2-CG 4.43Å; G219-F352 WeakPolarHBondContact O-CZ 3.43Å; F222-F352 HydrophobicContact CB-CE1 3.63Å; F222-F352 HydrophobicContact CB-CZ 4.18Å; F224-F352 HydrophobicContact CB-CZ 4.29Å; T348-F352 HydrophobicContact CG2-CD2 3.9Å; T348-F352 HydrophobicContact CG2-CE2 3.69Å; T348-F352 VanDerWaalsContact O-CD2 3.27Å; T348-F352 WeakPolarHBondContact O-CD2 3.37Å; T348-F352 PolarHBondContact O-N 2.95Å; T348-F352 VanDerWaalsContact O-N 3.13Å; L349-F352 PolarHBondContact O-N 3.26Å; F352-T355 PolarHBondContact O-OG1 3.21Å; F352-Y358 AromaticContact CD1-CD2 3.91Å; F352-Y358 HydrophobicContact CD1-CD2 3.91Å; F352-Y358 AromaticContact CD1-CE2 3.94Å; F352-Y358 HydrophobicContact CD1-CE2 3.94Å; F352-Y358 HydrophobicContact CE1-CE2 4.42Å; F352-V360 HydrophobicContact CB-CG2 4.08Å
353	K	98.4	Very high	98.2	Very high	98 Å²	98	24.2 Å²	24.2	43%	0.426	14%	0.137	S	C	.	.	H	α-helix	trans	-66.2	-44.5	172.5	-176.8	-176.4	174.9	-167.4	0	111.7	L349 S350 F351 T355 G356 V360	L349-K353 PolarHBondContact O-N 2.98Å; S350-K353 WeakPolarHBondContact O-CB 3.46Å; S350-K353 PolarHBondContact O-N 3.5Å; F351-K353 PolarHBondContact O-N 3.08Å; K353-T355 PolarHBondContact O-N 3.08Å; K353-G356 PolarHBondContact O-N 2.72Å; K353-V360 HydrophobicContact CB-CB 4.24Å; K353-V360 HydrophobicContact CB-CG2 3.88Å
354	D	98.4	Very high	98.3	Very high	13 Å²	13	25.7 Å²	25.7	7%	0.07	14%	0.142	C	C	.	.	H	α-helix	trans	-73.9	-11.1	-178.3	-75.9	-25.9	0	0	0	114.2	R240 L290 R291 S292 V293 S350 F351 G356	R240-D354 PolarHBondContact NE-O 2.56Å; R240-D354 PolarHBondContact NH2-O 2.78Å; L290-D354 VanDerWaalsContact C-OD2 3.28Å; L290-D354 HydrophobicContact CB-CB 3.83Å; L290-D354 VanDerWaalsContact CB-OD2 3.29Å; L290-D354 WeakPolarHBondContact CB-OD2 3.25Å; L290-D354 HydrophobicContact CD1-CB 4.04Å; L290-D354 HydrophobicContact CD2-CB 4.19Å; L290-D354 HydrophobicContact CG-CB 4.25Å; R291-D354 PolarHBondContact N-OD2 3.34Å; S292-D354 VanDerWaalsContact CA-OD2 3.23Å; S292-D354 WeakPolarHBondContact CA-OD2 3.17Å; S292-D354 VanDerWaalsContact CB-CG 3.42Å; S292-D354 WeakPolarHBondContact CB-OD1 3.48Å; S292-D354 WeakPolarHBondContact CB-OD2 3.34Å; S292-D354 PolarHBondContact N-OD1 3.36Å; S292-D354 PolarHBondContact N-OD2 3.3Å; S292-D354 PolarHBondContact OG-OD1 3.25Å; V293-D354 PolarHBondContact N-OD2 3.45Å; S350-D354 PolarHBondContact O-N 2.86Å; F351-D354 PolarHBondContact O-N 3.26Å; D354-G356 PolarHBondContact O-N 2.82Å
355	T	98.2	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.8	172.9	65.4	0	0	0	0	113.5	L232 R233 F351 F352 K353 W357	L232-T355 HydrophobicContact CD2-CG2 3.88Å; R233-T355 PolarHBondContact N-O 3.06Å; R233-T355 CarbonylContact O-C 2.89Å; F351-T355 HydrophobicContact CD1-CG2 4.18Å; F351-T355 HydrophobicContact CE1-CG2 3.76Å; F351-T355 HydrophobicContact CZ-CG2 4.14Å; F351-T355 WeakPolarHBondContact O-CG2 3.41Å; F351-T355 PolarHBondContact O-N 2.96Å; F351-T355 VanDerWaalsContact O-N 3.07Å; F352-T355 PolarHBondContact O-OG1 3.21Å; K353-T355 PolarHBondContact O-N 3.08Å; T355-W357 HydrophobicContact CG2-CE3 3.86Å; T355-W357 HydrophobicContact CG2-CZ3 4.15Å; T355-W357 PolarHBondContact O-N 3.17Å; T355-W357 WeakPolarHBondContact OG1-CB 2.97Å; T355-W357 PolarHBondContact OG1-N 3.17Å; T355-W357 VanDerWaalsContact OG1-N 3.12Å
356	G	98.1	Very high	98.2	Very high	7 Å²	7	29.6 Å²	29.6	7%	0.072	17%	0.167	C	C	.	.	S	Bend	trans	71.4	6.3	-171.2	0	0	0	0	0	113.8	K86 R233 K353 D354	K86-G356 WeakPolarHBondContact CD-O 3.11Å; R233-G356 WeakPolarHBondContact O-CA 3.32Å; R233-G356 PolarHBondContact O-N 2.79Å; K353-G356 PolarHBondContact O-N 2.72Å; D354-G356 PolarHBondContact O-N 2.82Å
357	W	98.3	Very high	97.8	Very high	6 Å²	6	34.7 Å²	34.7	2%	0.023	20%	0.199	C	C	.	.	S	Bend	trans	-98.3	-28.6	-177.8	-62	-28.2	0	0	0	113.6	K86 T186 D187 R188 P189 L228 L232 T355	K86-W357 PolarHBondContact N-O 3.45Å; T186-W357 PolarHBondContact O-NE1 2.99Å; T186-W357 VanDerWaalsContact O-NE1 3.13Å; D187-W357 HydrophobicContact CB-CZ2 4.37Å; D187-W357 WeakPolarHBondContact O-CZ2 3.47Å; R188-W357 HydrophobicContact CB-CB 4.01Å; R188-W357 HydrophobicContact CB-CD2 4.13Å; R188-W357 HydrophobicContact CB-CG 3.74Å; R188-W357 HydrophobicContact CG-CB 3.74Å; R188-W357 HydrophobicContact CG-CD2 4.24Å; R188-W357 HydrophobicContact CG-CG 3.91Å; P189-W357 VanDerWaalsContact CD-CZ3 3.47Å; P189-W357 HydrophobicContact CG-CH2 4.41Å; P189-W357 HydrophobicContact CG-CZ3 4.04Å; L228-W357 HydrophobicContact CB-CH2 4.22Å; L232-W357 HydrophobicContact CD2-CE3 4.42Å; L232-W357 HydrophobicContact CD2-CH2 3.47Å; L232-W357 VanDerWaalsContact CD2-CH2 3.47Å; L232-W357 HydrophobicContact CD2-CZ2 3.79Å; L232-W357 HydrophobicContact CD2-CZ3 3.8Å; T355-W357 HydrophobicContact CG2-CE3 3.86Å; T355-W357 HydrophobicContact CG2-CZ3 4.15Å; T355-W357 PolarHBondContact O-N 3.17Å; T355-W357 WeakPolarHBondContact OG1-CB 2.97Å; T355-W357 PolarHBondContact OG1-N 3.17Å; T355-W357 VanDerWaalsContact OG1-N 3.12Å
358	Y	98.6	Very high	97.6	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.1	-170.2	-56.7	-77.4	0	0	0	112.5	F49 I83 Q84 K86 R188 F222 F352	F49-Y358 HydrophobicContact CE1-CE1 4.08Å; F49-Y358 HydrophobicContact CZ-CE1 4.14Å; I83-Y358 HydrophobicContact CB-CD1 4.2Å; I83-Y358 HydrophobicContact CB-CG 4.21Å; I83-Y358 HydrophobicContact CD1-CD1 3.96Å; I83-Y358 HydrophobicContact CD1-CD2 4.34Å; I83-Y358 HydrophobicContact CD1-CE1 3.99Å; I83-Y358 HydrophobicContact CD1-CE2 4.37Å; I83-Y358 HydrophobicContact CD1-CG 4.15Å; I83-Y358 HydrophobicContact CG1-CD1 4.18Å; Q84-Y358 CarbonylContact O-C 3.52Å; Q84-Y358 WeakPolarHBondContact O-CA 3.34Å; K86-Y358 WeakPolarHBondContact CE-O 3.45Å; R188-Y358 HydrophobicContact CG-CE1 4.45Å; F222-Y358 WeakPolarHBondContact O-CE2 3.43Å; F222-Y358 PolarHBondContact O-OH 3.5Å; F222-Y358 VanDerWaalsContact O-OH 3.09Å; F352-Y358 AromaticContact CD1-CD2 3.91Å; F352-Y358 HydrophobicContact CD1-CD2 3.91Å; F352-Y358 AromaticContact CD1-CE2 3.94Å; F352-Y358 HydrophobicContact CD1-CE2 3.94Å; F352-Y358 HydrophobicContact CE1-CE2 4.42Å
359	D	98.1	Very high	97.3	Very high	68 Å²	68	38.1 Å²	38.1	36%	0.364	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.5	155.3	-64.6	-42.7	0	0	0	108.3	I83 Q84 K86	I83-D359 WeakPolarHBondContact CA-O 3.4Å; Q84-D359 HydrophobicContact CG-CB 3.88Å; Q84-D359 PolarHBondContact N-O 3.42Å; Q84-D359 PolarHBondContact O-N 3.26Å; K86-D359 WeakPolarHBondContact CG-OD1 3.25Å; K86-D359 IonicContact NZ-OD1 3.81Å; K86-D359 PolarHBondContact NZ-OD1 2.84Å
360	V	98.4	Very high	97.1	Very high	30 Å²	30	38.8 Å²	38.8	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127	-171	-178	0	0	0	0	111.1	A82 I83 L349 F352 K353 M362	A82-V360 WeakPolarHBondContact O-CA 3.22Å; I83-V360 HydrophobicContact CG2-CG1 4.27Å; I83-V360 HydrophobicContact CG2-CG2 3.96Å; L349-V360 HydrophobicContact CB-CG1 3.84Å; L349-V360 HydrophobicContact CD1-CG1 4.43Å; L349-V360 HydrophobicContact CD2-CG1 4.16Å; L349-V360 HydrophobicContact CG-CG1 4.36Å; F352-V360 HydrophobicContact CB-CG2 4.08Å; K353-V360 HydrophobicContact CB-CB 4.24Å; K353-V360 HydrophobicContact CB-CG2 3.88Å; V360-M362 HydrophobicContact CG1-SD 3.93Å; V360-M362 PolarHBondContact O-N 3.48Å
361	N	98.2	Very high	96.8	Very high	70 Å²	70	38.5 Å²	38.5	37%	0.374	22%	0.217	S	C	.	.			trans	-83.9	90.5	171.1	-177.6	2.9	0	0	0	110.1	A82 S363 M364	A82-N361 PolarHBondContact O-N 3.24Å; N361-S363 PolarHBondContact O-N 3.06Å; N361-S363 VanDerWaalsContact OD1-CB 3.25Å; N361-S363 WeakPolarHBondContact OD1-CB 3.39Å; N361-S363 PolarHBondContact OD1-N 3.43Å; N361-S363 VanDerWaalsContact OD1-N 3.15Å; N361-S363 PolarHBondContact OD1-OG 3.26Å; N361-M364 HydrophobicContact CB-CG 4.13Å; N361-M364 WeakPolarHBondContact ND2-CG 3.42Å; N361-M364 WeakPolarHBondContact O-CB 3.3Å; N361-M364 PolarHBondContact O-N 3.24Å
362	M	97.7	Very high	96.6	Very high	73 Å²	73	43.7 Å²	43.7	36%	0.36	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-59.9	-18.8	178.8	-64.9	-59.6	-67.5	0	0	113.8	L349 V360 M364 A365	L349-M362 HydrophobicContact CB-CE 4.31Å; L349-M362 HydrophobicContact CB-SD 3.83Å; V360-M362 HydrophobicContact CG1-SD 3.93Å; V360-M362 PolarHBondContact O-N 3.48Å; M362-M364 PolarHBondContact O-N 3.01Å; M362-A365 VanDerWaalsContact O-CB 3.28Å; M362-A365 WeakPolarHBondContact O-CB 3.38Å; M362-A365 PolarHBondContact O-N 3.02Å; M362-A365 VanDerWaalsContact O-N 3.15Å
363	S	97	Very high	96.3	Very high	111 Å²	111	47.2 Å²	47.2	78%	0.776	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-69.3	-13	175.5	-46.3	0	0	0	0	113.1	N361 A365	N361-S363 PolarHBondContact O-N 3.06Å; N361-S363 VanDerWaalsContact OD1-CB 3.25Å; N361-S363 WeakPolarHBondContact OD1-CB 3.39Å; N361-S363 PolarHBondContact OD1-N 3.43Å; N361-S363 VanDerWaalsContact OD1-N 3.15Å; N361-S363 PolarHBondContact OD1-OG 3.26Å; S363-A365 VanDerWaalsContact C-N 3.3Å
364	M	97.5	Very high	96	Very high	50 Å²	50	44.2 Å²	44.2	25%	0.246	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83.7	-5.2	174.4	-67.6	-69.9	-61	0	0	113	F78 K81 A82 L349 N361 M362 E366	F78-M364 HydrophobicContact CD2-CE 3.91Å; F78-M364 HydrophobicContact CE2-CE 3.94Å; K81-M364 HydrophobicContact CB-CE 3.89Å; K81-M364 HydrophobicContact CB-SD 4.27Å; A82-M364 HydrophobicContact CB-CB 3.98Å; A82-M364 HydrophobicContact CB-CG 4.29Å; L349-M364 HydrophobicContact CD1-CB 4.4Å; N361-M364 HydrophobicContact CB-CG 4.13Å; N361-M364 WeakPolarHBondContact ND2-CG 3.42Å; N361-M364 WeakPolarHBondContact O-CB 3.3Å; N361-M364 PolarHBondContact O-N 3.24Å; M362-M364 PolarHBondContact O-N 3.01Å; M364-E366 PolarHBondContact O-N 3.28Å
365	A	98	Very high	95.8	Very high	37 Å²	37	44.3 Å²	44.3	31%	0.306	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-57.4	122	176.4	0	0	0	0	0	110.2	L349 M362 S363	L349-A365 HydrophobicContact CD1-CB 3.96Å; M362-A365 VanDerWaalsContact O-CB 3.28Å; M362-A365 WeakPolarHBondContact O-CB 3.38Å; M362-A365 PolarHBondContact O-N 3.02Å; M362-A365 VanDerWaalsContact O-N 3.15Å; S363-A365 VanDerWaalsContact C-N 3.3Å
366	E	95.3	Very high	95.6	Very high	46 Å²	46	45.4 Å²	45.4	22%	0.215	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-77.3	147.3	174.6	-66	-178.7	122.1	0	0	110	F78 R212 V344 M364 W368	F78-E366 HydrophobicContact CE2-CG 4.19Å; R212-E366 IonicContact CZ-OE1 2.7Å; R212-E366 IonicContact CZ-OE2 2.71Å; R212-E366 IonicContact NH1-OE1 3.39Å; R212-E366 PolarHBondContact NH1-OE1 3.02Å; R212-E366 IonicContact NH1-OE2 3.52Å; R212-E366 PolarHBondContact NH1-OE2 2.86Å; R212-E366 IonicContact NH2-OE1 3.9Å; R212-E366 PolarHBondContact NH2-OE1 3Å; R212-E366 IonicContact NH2-OE2 3.56Å; V344-E366 PolarHBondContact N-OE2 3.48Å; V344-E366 PolarHBondContact O-N 2.91Å; M364-E366 PolarHBondContact O-N 3.28Å; E366-W368 PolarHBondContact O-N 2.86Å
367	P	92.1	Very high	95.3	Very high	110 Å²	110	47.8 Å²	47.8	71%	0.714	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-56.4	131.3	175.6	-24.5	34.4	0	0	0	111.3	S343	S343-P367 WeakPolarHBondContact CB-O 3.49Å; S343-P367 PolarHBondContact OG-O 3.08Å
368	W	94.4	Very high	95	Very high	15 Å²	15	47.6 Å²	47.6	6%	0.057	26%	0.263	C	S	.	.			trans	-144.3	119.9	177.3	177.2	60.5	0	0	0	106.8	F296 H300 F301 L328 I330 E332 L347 E366 W370	F296-W368 HydrophobicContact CE1-CE3 4.33Å; F296-W368 HydrophobicContact CE1-CZ3 4.18Å; H300-W368 AromaticContact CD2-CZ3 3.54Å; H300-W368 AromaticContact CE1-CE3 3.74Å; H300-W368 PolarHBondContact CE1-O 2.73Å; H300-W368 AromaticContact NE2-CE3 3.55Å; H300-W368 AromaticContact NE2-CH2 3.93Å; H300-W368 AromaticContact NE2-CZ3 3.42Å; H300-W368 WeakPolarHBondContact NE2-CZ3 3.23Å; F301-W368 HydrophobicContact CE1-CH2 4.32Å; F301-W368 AromaticContact CZ-CH2 3.86Å; F301-W368 HydrophobicContact CZ-CH2 3.86Å; F301-W368 HydrophobicContact CZ-CZ3 4.45Å; L328-W368 VanDerWaalsContact O-CH2 3.23Å; L328-W368 WeakPolarHBondContact O-CH2 3.46Å; L328-W368 WeakPolarHBondContact O-CZ2 3.29Å; I330-W368 PolarHBondContact O-NE1 2.99Å; E332-W368 HydrophobicContact CB-CZ2 4.13Å; E332-W368 HydrophobicContact CG-CD2 4.13Å; E332-W368 HydrophobicContact CG-CE3 4.44Å; E332-W368 HydrophobicContact CG-CH2 4.48Å; E332-W368 HydrophobicContact CG-CZ2 4.19Å; L347-W368 HydrophobicContact CB-CZ3 4.33Å; L347-W368 HydrophobicContact CD2-CH2 4.23Å; L347-W368 HydrophobicContact CD2-CZ3 4.24Å; E366-W368 PolarHBondContact O-N 2.86Å; W368-W370 HydrophobicContact CZ2-CB 4.12Å
369	D	92.1	Very high	94.7	Very high	59 Å²	59	47.7 Å²	47.7	32%	0.316	26%	0.264	S	S	.	.			trans	-119.3	-5.6	-170.1	-72.1	-39.2	0	0	0	113.5	G371 R372 H412	D369-G371 PolarHBondContact O-N 3.08Å; D369-R372 WeakPolarHBondContact O-CB 3.29Å; D369-R372 PolarHBondContact O-N 3.39Å; D369-R372 IonicContact OD1-CZ 3.06Å; D369-R372 IonicContact OD1-NE 2.97Å; D369-R372 PolarHBondContact OD1-NE 3.11Å; D369-H412 HydrophobicContact CB-CB 3.76Å
370	W	93.9	Very high	94.4	Very high	15 Å²	15	46.5 Å²	46.5	6%	0.057	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	131.3	174.4	177.5	-98.8	0	0	0	110.7	H300 R327 I330 W368 R372 P395 W396 Y461	H300-W370 PolarHBondContact NE2-O 3.35Å; R327-W370 PolarHBondContact O-NE1 3.19Å; I330-W370 HydrophobicContact CB-CD2 3.56Å; I330-W370 HydrophobicContact CB-CE3 3.98Å; I330-W370 HydrophobicContact CB-CG 3.76Å; I330-W370 HydrophobicContact CB-CZ2 4.28Å; I330-W370 HydrophobicContact CB-CZ3 4.49Å; I330-W370 HydrophobicContact CD1-CD2 4.28Å; I330-W370 HydrophobicContact CD1-CE3 4.41Å; I330-W370 HydrophobicContact CD1-CH2 3.59Å; I330-W370 HydrophobicContact CD1-CZ2 3.4Å; I330-W370 HydrophobicContact CD1-CZ3 4.08Å; I330-W370 HydrophobicContact CG1-CD2 4.07Å; I330-W370 HydrophobicContact CG1-CH2 4.4Å; I330-W370 HydrophobicContact CG1-CZ2 3.86Å; I330-W370 HydrophobicContact CG2-CD2 4.31Å; I330-W370 HydrophobicContact CG2-CE3 4.23Å; I330-W370 WeakPolarHBondContact O-CB 2.94Å; W368-W370 HydrophobicContact CZ2-CB 4.12Å; W370-R372 PolarHBondContact O-N 2.86Å; W370-P395 HydrophobicContact CD2-CB 4.4Å; W370-P395 HydrophobicContact CE3-CB 4.01Å; W370-P395 HydrophobicContact CH2-CB 3.68Å; W370-P395 HydrophobicContact CH2-CG 4.11Å; W370-P395 VanDerWaalsContact CH2-O 3.28Å; W370-P395 WeakPolarHBondContact CH2-O 3.4Å; W370-P395 HydrophobicContact CZ2-CB 4.1Å; W370-P395 HydrophobicContact CZ2-CG 4.12Å; W370-P395 HydrophobicContact CZ3-CB 3.66Å; W370-P395 WeakPolarHBondContact CZ3-O 3.4Å; W370-W396 HydrophobicContact CH2-CE3 4.03Å; W370-W396 AromaticContact CH2-CZ3 3.99Å; W370-W396 HydrophobicContact CH2-CZ3 3.99Å; W370-W396 HydrophobicContact CZ2-CE3 4.14Å; W370-W396 AromaticContact CZ2-CH2 3.83Å; W370-W396 HydrophobicContact CZ2-CH2 3.83Å; W370-W396 HydrophobicContact CZ2-CZ2 4.31Å; W370-W396 AromaticContact CZ2-CZ3 3.74Å; W370-W396 HydrophobicContact CZ2-CZ3 3.74Å; W370-Y461 HydrophobicContact CH2-CG 4.23Å
371	G	93.4	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-1.2	-178.9	0	0	0	0	0	115.7	F301 D369 N373 Q374 L378	F301-G371 VanDerWaalsContact CD1-O 3.25Å; F301-G371 WeakPolarHBondContact CD1-O 3.5Å; D369-G371 PolarHBondContact O-N 3.08Å; G371-N373 PolarHBondContact O-N 3.05Å; G371-Q374 VanDerWaalsContact C-CG 3.47Å; G371-Q374 WeakPolarHBondContact O-CB 3.45Å; G371-Q374 VanDerWaalsContact O-CG 3.25Å; G371-Q374 WeakPolarHBondContact O-CG 3.22Å; G371-Q374 PolarHBondContact O-N 3.13Å; G371-Q374 VanDerWaalsContact O-N 3.15Å; G371-L378 VanDerWaalsContact CA-CD2 3.41Å
372	R	93.8	Very high	93.6	Very high	108 Å²	108	42.5 Å²	42.5	41%	0.408	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	128.5	-178.4	-177.6	-175.5	-92.9	-80.5	-4.5	110.6	H300 D369 W370 Q374	H300-R372 CarbonylContact O-C 3.59Å; H300-R372 WeakPolarHBondContact O-CA 3.05Å; D369-R372 WeakPolarHBondContact O-CB 3.29Å; D369-R372 PolarHBondContact O-N 3.39Å; D369-R372 IonicContact OD1-CZ 3.06Å; D369-R372 IonicContact OD1-NE 2.97Å; D369-R372 PolarHBondContact OD1-NE 3.11Å; W370-R372 PolarHBondContact O-N 2.86Å; R372-Q374 PolarHBondContact O-N 2.63Å
373	N	92.6	Very high	93.3	Very high	75 Å²	75	39 Å²	39	40%	0.401	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	25.8	179.8	-50.5	-46.6	0	0	0	115.6	H300 F301 R302 G371 G375	H300-N373 PolarHBondContact O-N 3.43Å; F301-N373 CarbonylContact O-C 3.5Å; R302-N373 WeakPolarHBondContact CD-OD1 3.3Å; R302-N373 HydrophobicContact CG-CB 4.26Å; R302-N373 WeakPolarHBondContact CG-OD1 3.45Å; R302-N373 PolarHBondContact NE-OD1 3.18Å; G371-N373 PolarHBondContact O-N 3.05Å; N373-G375 VanDerWaalsContact C-N 3.34Å
374	Q	91.9	Very high	93	Very high	35 Å²	35	33.9 Å²	33.9	16%	0.164	18%	0.179	C	C	.	.			trans	-86.3	0.5	-178.1	-62.9	-60.2	-34	0	0	114.9	F301 G371 R372 L378 F386 S394 P395	F301-Q374 PolarHBondContact O-N 3.08Å; F301-Q374 VanDerWaalsContact O-N 3.16Å; G371-Q374 VanDerWaalsContact C-CG 3.47Å; G371-Q374 WeakPolarHBondContact O-CB 3.45Å; G371-Q374 VanDerWaalsContact O-CG 3.25Å; G371-Q374 WeakPolarHBondContact O-CG 3.22Å; G371-Q374 PolarHBondContact O-N 3.13Å; G371-Q374 VanDerWaalsContact O-N 3.15Å; R372-Q374 PolarHBondContact O-N 2.63Å; Q374-L378 HydrophobicContact CB-CB 3.97Å; Q374-L378 HydrophobicContact CB-CD2 3.76Å; Q374-L378 HydrophobicContact CB-CG 4.41Å; Q374-L378 HydrophobicContact CG-CD2 4.17Å; Q374-F386 HydrophobicContact CB-CE2 4.44Å; Q374-F386 HydrophobicContact CB-CZ 4.44Å; Q374-S394 PolarHBondContact OE1-O 3.13Å; Q374-P395 HydrophobicContact CG-CG 4.13Å
375	G	93.6	Very high	92.6	Very high	14 Å²	14	33.8 Å²	33.8	14%	0.144	18%	0.176	C	C	.	.			trans	77.6	-178.3	178.4	0	0	0	0	0	113.5	F301 N373 E377	F301-G375 WeakPolarHBondContact O-CA 3.42Å; F301-G375 PolarHBondContact O-N 2.93Å; N373-G375 VanDerWaalsContact C-N 3.34Å; G375-E377 PolarHBondContact O-N 3.13Å
376	C	94	Very high	92.3	Very high	23 Å²	23	32 Å²	32	16%	0.155	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-22	178.9	-70.4	0	0	0	0	112.8	C303 L378 I379 F380	C303-C376 WeakPolarHBondContact CA-SG 3.45Å; C303-C376 HydrophobicContact CB-CB 3.89Å; C303-C376 WeakPolarHBondContact CB-SG 3.43Å; C303-C376 WeakPolarHBondContact SG-CA 3.47Å; C303-C376 WeakPolarHBondContact SG-CB 3.23Å; C303-C376 CovalentContact SG-SG 2.04Å; C303-C376 PolarHBondContact SG-SG 3.47Å; C376-L378 VanDerWaalsContact C-N 3.26Å; C376-L378 PolarHBondContact O-N 2.93Å; C376-I379 PolarHBondContact O-N 3.31Å; C376-F380 HydrophobicContact CB-CD2 3.75Å; C376-F380 HydrophobicContact CB-CE2 4Å; C376-F380 PolarHBondContact O-N 3.37Å
377	E	91.6	Very high	92	Very high	58 Å²	58	30.8 Å²	30.8	27%	0.271	16%	0.157	S	C	.	.	H	α-helix	trans	-60.7	-34.8	-178.8	-65.3	84.2	169.9	0	0	112.1	G375 I379 E381 F386	G375-E377 PolarHBondContact O-N 3.13Å; E377-I379 PolarHBondContact O-N 2.92Å; E377-E381 WeakPolarHBondContact O-CB 3.41Å; E377-E381 PolarHBondContact O-N 2.92Å; E377-F386 HydrophobicContact CB-CD2 3.87Å; E377-F386 HydrophobicContact CB-CE2 4.28Å
378	L	92.8	Very high	91.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-34.1	176.6	179.8	63.9	0	0	0	112.1	F301 L328 G371 Q374 C376 F386 P395 W396	F301-L378 HydrophobicContact CD1-CD2 3.93Å; F301-L378 HydrophobicContact CE1-CD2 4.1Å; L328-L378 HydrophobicContact CD2-CG 4.22Å; G371-L378 VanDerWaalsContact CA-CD2 3.41Å; Q374-L378 HydrophobicContact CB-CB 3.97Å; Q374-L378 HydrophobicContact CB-CD2 3.76Å; Q374-L378 HydrophobicContact CB-CG 4.41Å; Q374-L378 HydrophobicContact CG-CD2 4.17Å; C376-L378 VanDerWaalsContact C-N 3.26Å; C376-L378 PolarHBondContact O-N 2.93Å; L378-F386 HydrophobicContact CB-CD2 4.37Å; L378-F386 HydrophobicContact CB-CE2 4.06Å; L378-P395 HydrophobicContact CD1-CG 3.96Å; L378-P395 HydrophobicContact CD2-CG 4.48Å; L378-W396 HydrophobicContact CD1-CZ2 3.77Å
379	I	92.8	Very high	91.1	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-93.1	-48.3	-173.1	-53.6	172.3	0	0	0	111.1	F301 C303 L306 L328 C376 E377	F301-I379 HydrophobicContact CB-CD1 4.03Å; F301-I379 HydrophobicContact CD2-CD1 3.76Å; F301-I379 HydrophobicContact CE2-CD1 4.47Å; F301-I379 HydrophobicContact CG-CD1 3.98Å; C303-I379 HydrophobicContact CB-CD1 4.04Å; L306-I379 HydrophobicContact CD1-CD1 3.75Å; L306-I379 HydrophobicContact CD1-CG2 3.69Å; L306-I379 HydrophobicContact CD2-CD1 3.96Å; L306-I379 HydrophobicContact CG-CD1 4.33Å; L328-I379 HydrophobicContact CD1-CG1 4.45Å; L328-I379 HydrophobicContact CD1-CG2 4.06Å; L328-I379 HydrophobicContact CD2-CB 4.47Å; L328-I379 HydrophobicContact CD2-CG1 4.01Å; C376-I379 PolarHBondContact O-N 3.31Å; E377-I379 PolarHBondContact O-N 2.92Å
380	F	92	Very high	90.4	Very high	42 Å²	42	38.5 Å²	38.5	18%	0.184	17%	0.174	C	C	.	.	H	α-helix	trans	-89.6	-4.7	-171.4	-64.4	-33.7	0	0	0	114.7	K273 E305 L306 C376	K273-F380 CarbonylContact C-O 3.58Å; K273-F380 WeakPolarHBondContact CB-O 3.2Å; K273-F380 PolarHBondContact N-O 3.28Å; K273-F380 CarbonylContact O-C 3.6Å; E305-F380 HydrophobicContact CB-CE2 3.91Å; E305-F380 HydrophobicContact CB-CZ 4.32Å; L306-F380 HydrophobicContact CD1-CE1 4.41Å; C376-F380 HydrophobicContact CB-CD2 3.75Å; C376-F380 HydrophobicContact CB-CE2 4Å; C376-F380 PolarHBondContact O-N 3.37Å
381	E	88.5	Confident	89.5	Confident	16 Å²	16	48.1 Å²	48.1	8%	0.075	22%	0.216	C	C	.	.	S	Bend	trans	-126.7	163.3	-179.3	-54.3	-169.9	160.4	0	0	112.4	K273 R327 E377 R385 R389	K273-E381 WeakPolarHBondContact O-CA 3.36Å; R327-E381 PolarHBondContact NH2-O 3.18Å; E377-E381 WeakPolarHBondContact O-CB 3.41Å; E377-E381 PolarHBondContact O-N 2.92Å; E381-R385 HydrophobicContact CB-CB 4.43Å; E381-R385 IonicContact OE1-CZ 3.7Å; E381-R385 IonicContact OE1-NE 2.87Å; E381-R385 PolarHBondContact OE1-NE 2.93Å; E381-R385 IonicContact OE1-NH1 3.5Å; E381-R385 IonicContact OE1-NH2 3.9Å; E381-R385 PolarHBondContact OE1-NH2 2.93Å; E381-R385 VanDerWaalsContact OE2-CD 3.23Å; E381-R385 WeakPolarHBondContact OE2-CD 3.35Å; E381-R385 VanDerWaalsContact OE2-CG 3.22Å; E381-R385 WeakPolarHBondContact OE2-CG 3.49Å; E381-R385 IonicContact OE2-CZ 3.05Å; E381-R385 IonicContact OE2-NE 3.11Å; E381-R385 PolarHBondContact OE2-NE 3.29Å; E381-R389 IonicContact OE1-NH1 2.76Å; E381-R389 PolarHBondContact OE1-NH1 3.41Å; E381-R389 VanDerWaalsContact OE1-NH1 3.17Å; E381-R389 IonicContact OE2-NH1 2.66Å
382	S	90.6	Very high	88.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.243	C	C	.	.			trans	-68.6	156.1	170.5	79	0	0	0	0	110.7	R275 G384 R385 F386	R275-S382 WeakPolarHBondContact O-CB 3.04Å; R275-S382 PolarHBondContact O-OG 3.38Å; S382-G384 VanDerWaalsContact C-N 3.28Å; S382-G384 PolarHBondContact O-N 3.05Å; S382-G384 PolarHBondContact OG-N 3.29Å; S382-R385 PolarHBondContact O-N 3.15Å; S382-R385 PolarHBondContact OG-N 2.86Å; S382-F386 WeakPolarHBondContact O-CB 3.42Å; S382-F386 PolarHBondContact O-N 3.33Å
383	C	91.8	Very high	88	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-34.5	173.5	56.9	0	0	0	0	112.6	R385 F386 I387 W396 H434 C459	C383-R385 PolarHBondContact O-N 2.87Å; C383-F386 WeakPolarHBondContact O-CB 3.2Å; C383-F386 PolarHBondContact O-N 3.05Å; C383-I387 WeakPolarHBondContact O-CB 3.26Å; C383-I387 WeakPolarHBondContact O-CD1 3.49Å; C383-I387 WeakPolarHBondContact O-CG1 3.43Å; C383-I387 PolarHBondContact O-N 3.47Å; C383-W396 HydrophobicContact CB-CD2 3.69Å; C383-W396 HydrophobicContact CB-CE3 4.37Å; C383-W396 HydrophobicContact CB-CG 3.8Å; C383-W396 HydrophobicContact CB-CZ2 4.14Å; C383-H434 VanDerWaalsContact SG-CD2 3.5Å; C383-C459 HydrophobicContact CB-CB 3.55Å; C383-C459 WeakPolarHBondContact CB-SG 3.45Å; C383-C459 WeakPolarHBondContact SG-CA 3.31Å; C383-C459 WeakPolarHBondContact SG-CB 3.14Å; C383-C459 CovalentContact SG-SG 2.02Å; C383-C459 PolarHBondContact SG-SG 2.76Å
384	G	89.9	Confident	87.7	Confident	3 Å²	3	46.1 Å²	46.1	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-42.9	175.6	0	0	0	0	0	112.5	S382 K388 H434	S382-G384 VanDerWaalsContact C-N 3.28Å; S382-G384 PolarHBondContact O-N 3.05Å; S382-G384 PolarHBondContact OG-N 3.29Å; G384-K388 WeakPolarHBondContact O-CG 3.47Å; G384-K388 PolarHBondContact O-N 3.13Å; G384-H434 WeakPolarHBondContact CA-O 2.94Å
385	R	89.1	Confident	87.6	Confident	48 Å²	48	44.8 Å²	44.8	18%	0.181	22%	0.216	C	C	.	.	H	α-helix	trans	-69.6	-41.7	175.4	-176.4	175	168.2	169.3	13.4	111.9	R275 E381 S382 C383 I387 K388 R389	R275-R385 HydrophobicContact CB-CB 4.41Å; R275-R385 VanDerWaalsContact NE-NH1 3.12Å; E381-R385 HydrophobicContact CB-CB 4.43Å; E381-R385 IonicContact OE1-CZ 3.7Å; E381-R385 IonicContact OE1-NE 2.87Å; E381-R385 PolarHBondContact OE1-NE 2.93Å; E381-R385 IonicContact OE1-NH1 3.5Å; E381-R385 IonicContact OE1-NH2 3.9Å; E381-R385 PolarHBondContact OE1-NH2 2.93Å; E381-R385 VanDerWaalsContact OE2-CD 3.23Å; E381-R385 WeakPolarHBondContact OE2-CD 3.35Å; E381-R385 VanDerWaalsContact OE2-CG 3.22Å; E381-R385 WeakPolarHBondContact OE2-CG 3.49Å; E381-R385 IonicContact OE2-CZ 3.05Å; E381-R385 IonicContact OE2-NE 3.11Å; E381-R385 PolarHBondContact OE2-NE 3.29Å; S382-R385 PolarHBondContact O-N 3.15Å; S382-R385 PolarHBondContact OG-N 2.86Å; C383-R385 PolarHBondContact O-N 2.87Å; R385-I387 PolarHBondContact O-N 3.21Å; R385-K388 PolarHBondContact O-N 2.89Å; R385-R389 PolarHBondContact O-N 3.15Å
386	F	91.4	Very high	87.6	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-54.5	-52.3	174.7	-179.1	-80.1	0	0	0	111.1	Q374 E377 L378 S382 C383 K388 R389 Q390 S394 W396	Q374-F386 HydrophobicContact CB-CE2 4.44Å; Q374-F386 HydrophobicContact CB-CZ 4.44Å; E377-F386 HydrophobicContact CB-CD2 3.87Å; E377-F386 HydrophobicContact CB-CE2 4.28Å; L378-F386 HydrophobicContact CB-CD2 4.37Å; L378-F386 HydrophobicContact CB-CE2 4.06Å; S382-F386 WeakPolarHBondContact O-CB 3.42Å; S382-F386 PolarHBondContact O-N 3.33Å; C383-F386 WeakPolarHBondContact O-CB 3.2Å; C383-F386 PolarHBondContact O-N 3.05Å; F386-K388 VanDerWaalsContact C-N 3.29Å; F386-K388 PolarHBondContact O-N 2.94Å; F386-R389 PolarHBondContact O-N 3.07Å; F386-R389 VanDerWaalsContact O-N 3.11Å; F386-Q390 HydrophobicContact CD1-CG 3.98Å; F386-Q390 HydrophobicContact CD2-CG 4.47Å; F386-Q390 HydrophobicContact CE1-CB 4.35Å; F386-Q390 HydrophobicContact CE1-CG 3.66Å; F386-Q390 HydrophobicContact CE2-CG 4.17Å; F386-Q390 HydrophobicContact CG-CG 4.38Å; F386-Q390 HydrophobicContact CZ-CG 3.76Å; F386-Q390 WeakPolarHBondContact O-CG 3.28Å; F386-Q390 PolarHBondContact O-N 2.97Å; F386-Q390 VanDerWaalsContact O-N 3.14Å; F386-S394 WeakPolarHBondContact CE1-O 3.45Å; F386-W396 AromaticContact CD1-CD1 3.49Å; F386-W396 VanDerWaalsContact CD1-CD1 3.49Å; F386-W396 AromaticContact CE1-CD1 3.98Å; F386-W396 AromaticContact CG-CD1 3.96Å
387	I	89.3	Confident	87.5	Confident	20 Å²	20	43.6 Å²	43.6	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-38.3	-179.1	-68.4	164	0	0	0	111.5	C383 R385 R389 A393 W396 N398 F435	C383-I387 WeakPolarHBondContact O-CB 3.26Å; C383-I387 WeakPolarHBondContact O-CD1 3.49Å; C383-I387 WeakPolarHBondContact O-CG1 3.43Å; C383-I387 PolarHBondContact O-N 3.47Å; R385-I387 PolarHBondContact O-N 3.21Å; I387-R389 VanDerWaalsContact C-N 3.31Å; I387-R389 PolarHBondContact O-N 3.33Å; I387-A393 HydrophobicContact CG1-CB 4.34Å; I387-A393 HydrophobicContact CG2-CB 4.27Å; I387-W396 HydrophobicContact CD1-CB 3.77Å; I387-W396 HydrophobicContact CD1-CG 4.47Å; I387-W396 HydrophobicContact CG1-CB 3.87Å; I387-W396 HydrophobicContact CG1-CG 4.47Å; I387-N398 HydrophobicContact CG2-CB 4.23Å; I387-F435 HydrophobicContact CD1-CE1 3.74Å; I387-F435 HydrophobicContact CD1-CZ 3.86Å
388	K	86.4	Confident	87.5	Confident	129 Å²	129	44.1 Å²	44.1	56%	0.561	21%	0.21	S	C	*	.	H	α-helix	trans	-66.7	-28.6	178.8	-76	177.8	178.5	-179	0	113.7	G384 R385 F386 N436	G384-K388 WeakPolarHBondContact O-CG 3.47Å; G384-K388 PolarHBondContact O-N 3.13Å; R385-K388 PolarHBondContact O-N 2.89Å; F386-K388 VanDerWaalsContact C-N 3.29Å; F386-K388 PolarHBondContact O-N 2.94Å; K388-N436 PolarHBondContact NZ-OD1 2.65Å
389	R	82.5	Confident	87.3	Confident	144 Å²	144	48 Å²	48	54%	0.543	23%	0.228	S	C	.	.	H	α-helix	trans	-90.4	-32.2	-176.7	-69.6	-175.8	70.6	165.5	0.6	113.3	E381 R385 F386 I387	E381-R389 IonicContact OE1-NH1 2.76Å; E381-R389 PolarHBondContact OE1-NH1 3.41Å; E381-R389 VanDerWaalsContact OE1-NH1 3.17Å; E381-R389 IonicContact OE2-NH1 2.66Å; R385-R389 PolarHBondContact O-N 3.15Å; F386-R389 PolarHBondContact O-N 3.07Å; F386-R389 VanDerWaalsContact O-N 3.11Å; I387-R389 VanDerWaalsContact C-N 3.31Å; I387-R389 PolarHBondContact O-N 3.33Å
390	Q	77.2	Confident	87.2	Confident	73 Å²	73	48.5 Å²	48.5	34%	0.341	23%	0.231	S	C	.	.	S	Bend	trans	-83.7	148.5	-172.3	-65.3	-61.8	-15.1	0	0	111.9	F386 T392	F386-Q390 HydrophobicContact CD1-CG 3.98Å; F386-Q390 HydrophobicContact CD2-CG 4.47Å; F386-Q390 HydrophobicContact CE1-CB 4.35Å; F386-Q390 HydrophobicContact CE1-CG 3.66Å; F386-Q390 HydrophobicContact CE2-CG 4.17Å; F386-Q390 HydrophobicContact CG-CG 4.38Å; F386-Q390 HydrophobicContact CZ-CG 3.76Å; F386-Q390 WeakPolarHBondContact O-CG 3.28Å; F386-Q390 PolarHBondContact O-N 2.97Å; F386-Q390 VanDerWaalsContact O-N 3.14Å; Q390-T392 WeakPolarHBondContact CB-O 3.27Å; Q390-T392 PolarHBondContact O-N 3.44Å
391	K	74	Confident	87	Confident	216 Å²	216	50.3 Å²	50.3	94%	0.939	24%	0.242	S	C	*	.	S	Bend	trans	-63.5	-30.2	173.9	-70.7	-177.4	178.2	-179.8	0	112
392	T	75.7	Confident	86.8	Confident	94 Å²	94	53.3 Å²	53.3	58%	0.577	26%	0.262	S	S	*	.	S	Bend	trans	-126.4	149.7	177.2	60.6	0	0	0	0	109	Q390 S394	Q390-T392 WeakPolarHBondContact CB-O 3.27Å; Q390-T392 PolarHBondContact O-N 3.44Å; T392-S394 PolarHBondContact O-N 3.22Å
393	A	79.9	Confident	86	Confident	20 Å²	20	64 Å²	64	17%	0.165	31%	0.308	C	S	.	.			trans	-71	-17	178.8	0	0	0	0	0	113.3	I387 W396	I387-A393 HydrophobicContact CG1-CB 4.34Å; I387-A393 HydrophobicContact CG2-CB 4.27Å; A393-W396 CarbonylContact C-O 3.44Å; A393-W396 CarbonylContact O-C 3.6Å; A393-W396 VanDerWaalsContact O-CA 3.25Å; A393-W396 WeakPolarHBondContact O-CA 3.32Å; A393-W396 WeakPolarHBondContact O-CB 3.43Å; A393-W396 PolarHBondContact O-N 3.22Å
394	S	86.8	Confident	85.1	Confident	27 Å²	27	73.5 Å²	73.5	19%	0.189	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	134.4	-176.2	-169.8	0	0	0	0	111.8	Q374 F386 T392 W396	Q374-S394 PolarHBondContact OE1-O 3.13Å; F386-S394 WeakPolarHBondContact CE1-O 3.45Å; T392-S394 PolarHBondContact O-N 3.22Å; S394-W396 PolarHBondContact N-O 3.38Å
395	P	90.6	Very high	84.5	Confident	7 Å²	7	74.9 Å²	74.9	5%	0.045	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.7	-5.8	12.3	37.7	-37.3	0	0	0	114.1	W370 Q374 L378	W370-P395 HydrophobicContact CD2-CB 4.4Å; W370-P395 HydrophobicContact CE3-CB 4.01Å; W370-P395 HydrophobicContact CH2-CB 3.68Å; W370-P395 HydrophobicContact CH2-CG 4.11Å; W370-P395 VanDerWaalsContact CH2-O 3.28Å; W370-P395 WeakPolarHBondContact CH2-O 3.4Å; W370-P395 HydrophobicContact CZ2-CB 4.1Å; W370-P395 HydrophobicContact CZ2-CG 4.12Å; W370-P395 HydrophobicContact CZ3-CB 3.66Å; W370-P395 WeakPolarHBondContact CZ3-O 3.4Å; Q374-P395 HydrophobicContact CG-CG 4.13Å; L378-P395 HydrophobicContact CD1-CG 3.96Å; L378-P395 HydrophobicContact CD2-CG 4.48Å
396	W	93.2	Very high	84	Confident	5 Å²	5	73.8 Å²	73.8	2%	0.019	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-78.7	-179	172.9	-53.2	116	0	0	0	111.9	R327 I330 W370 L378 C383 F386 I387 A393 S394 C459 P460 Y461	R327-W396 HydrophobicContact CB-CH2 3.77Å; R327-W396 HydrophobicContact CB-CZ2 4.24Å; R327-W396 HydrophobicContact CG-CH2 3.84Å; R327-W396 HydrophobicContact CG-CZ2 4.46Å; I330-W396 HydrophobicContact CD1-CZ3 4.4Å; W370-W396 HydrophobicContact CH2-CE3 4.03Å; W370-W396 AromaticContact CH2-CZ3 3.99Å; W370-W396 HydrophobicContact CH2-CZ3 3.99Å; W370-W396 HydrophobicContact CZ2-CE3 4.14Å; W370-W396 AromaticContact CZ2-CH2 3.83Å; W370-W396 HydrophobicContact CZ2-CH2 3.83Å; W370-W396 HydrophobicContact CZ2-CZ2 4.31Å; W370-W396 AromaticContact CZ2-CZ3 3.74Å; W370-W396 HydrophobicContact CZ2-CZ3 3.74Å; L378-W396 HydrophobicContact CD1-CZ2 3.77Å; C383-W396 HydrophobicContact CB-CD2 3.69Å; C383-W396 HydrophobicContact CB-CE3 4.37Å; C383-W396 HydrophobicContact CB-CG 3.8Å; C383-W396 HydrophobicContact CB-CZ2 4.14Å; F386-W396 AromaticContact CD1-CD1 3.49Å; F386-W396 VanDerWaalsContact CD1-CD1 3.49Å; F386-W396 AromaticContact CE1-CD1 3.98Å; F386-W396 AromaticContact CG-CD1 3.96Å; I387-W396 HydrophobicContact CD1-CB 3.77Å; I387-W396 HydrophobicContact CD1-CG 4.47Å; I387-W396 HydrophobicContact CG1-CB 3.87Å; I387-W396 HydrophobicContact CG1-CG 4.47Å; A393-W396 CarbonylContact C-O 3.44Å; A393-W396 CarbonylContact O-C 3.6Å; A393-W396 VanDerWaalsContact O-CA 3.25Å; A393-W396 WeakPolarHBondContact O-CA 3.32Å; A393-W396 WeakPolarHBondContact O-CB 3.43Å; A393-W396 PolarHBondContact O-N 3.22Å; S394-W396 PolarHBondContact N-O 3.38Å; W396-C459 HydrophobicContact CD2-CB 4.27Å; W396-C459 HydrophobicContact CE3-CB 3.73Å; W396-C459 HydrophobicContact CH2-CB 3.77Å; W396-C459 HydrophobicContact CZ2-CB 4.29Å; W396-C459 HydrophobicContact CZ3-CB 3.46Å; W396-C459 VanDerWaalsContact CZ3-CB 3.46Å; W396-P460 CarbonylContact C-O 3.58Å; W396-P460 VanDerWaalsContact CA-O 3.3Å; W396-P460 WeakPolarHBondContact CA-O 3.5Å; W396-P460 WeakPolarHBondContact CB-O 3.3Å; W396-Y461 HydrophobicContact CZ3-CD1 4.36Å
397	C	92.1	Very high	83.9	Confident	8 Å²	8	77 Å²	77	5%	0.054	38%	0.379	C	S	.	.			trans	-144.6	165.6	173.2	66.9	0	0	0	0	110.9	C419 P460 Y461 M462	C397-C419 HydrophobicContact CB-CB 3.67Å; C397-C419 WeakPolarHBondContact CB-SG 3.3Å; C397-C419 WeakPolarHBondContact SG-CA 3.15Å; C397-C419 WeakPolarHBondContact SG-CB 3.41Å; C397-C419 CovalentContact SG-SG 2.02Å; C397-C419 PolarHBondContact SG-SG 3.2Å; C397-P460 PolarHBondContact N-O 2.98Å; C397-P460 WeakPolarHBondContact O-CG 3.39Å; C397-P460 VanDerWaalsContact SG-C 3.59Å; C397-Y461 VanDerWaalsContact SG-CA 3.53Å; C397-Y461 PolarHBondContact SG-N 2.87Å; C397-Y461 PolarHBondContact SG-O 2.82Å; C397-Y461 VanDerWaalsContact SG-O 3.41Å; C397-M462 HydrophobicContact CB-CG 4.27Å; C397-M462 HydrophobicContact CB-SD 4.09Å
398	N	90	Very high	83.9	Confident	68 Å²	68	81.4 Å²	81.4	36%	0.364	39%	0.394	S	S	.	.			trans	-143.7	15.6	-175	63.3	-14.2	0	0	0	113.7	I387 P400 F435	I387-N398 HydrophobicContact CG2-CB 4.23Å; N398-P400 WeakPolarHBondContact O-CD 3.12Å; N398-F435 HydrophobicContact CB-CE1 3.82Å
399	E	89.3	Confident	84.3	Confident	82 Å²	82	76.5 Å²	76.5	38%	0.383	38%	0.376	S	S	.	.			trans	-96	115.3	175.7	-68	-177	-168	0	0	109.3	I401 R408 C419	E399-I401 PolarHBondContact O-N 3.21Å; E399-R408 IonicContact OE1-CZ 2.73Å; E399-R408 IonicContact OE1-NH1 2.97Å; E399-R408 IonicContact OE1-NH2 3.76Å; E399-R408 PolarHBondContact OE1-NH2 3.24Å; E399-R408 IonicContact OE2-CZ 3.41Å; E399-R408 IonicContact OE2-NH2 3.01Å; E399-R408 PolarHBondContact OE2-NH2 3.24Å; E399-C419 HydrophobicContact CB-CB 4.45Å; E399-C419 VanDerWaalsContact O-CB 3.3Å; E399-C419 WeakPolarHBondContact O-CB 3.25Å; E399-C419 PolarHBondContact O-SG 3.25Å
400	P	90.6	Very high	84.7	Confident	15 Å²	15	70.1 Å²	70.1	10%	0.097	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-58.1	138.7	173.8	-24.4	34.5	0	0	0	111.3	N398 T402 S405 L421 L438 V441 F449	N398-P400 WeakPolarHBondContact O-CD 3.12Å; P400-T402 PolarHBondContact O-N 3.15Å; P400-S405 PolarHBondContact O-OG 3.35Å; P400-L421 HydrophobicContact CG-CD2 4.02Å; P400-L421 HydrophobicContact CG-CG 4.47Å; P400-L438 HydrophobicContact CG-CB 4.4Å; P400-L438 HydrophobicContact CG-CD1 4.38Å; P400-L438 HydrophobicContact CG-CD2 4.34Å; P400-V441 HydrophobicContact CG-CG2 4.08Å; P400-F449 HydrophobicContact CB-CD1 4.41Å; P400-F449 HydrophobicContact CB-CE1 4.2Å
401	I	88.2	Confident	85	Confident	81 Å²	81	69.5 Å²	69.5	42%	0.415	36%	0.355	S	S	.	.			trans	-67.2	129.9	175.3	-163.2	174.5	0	0	0	110.2	E399 V418 L421 V422	E399-I401 PolarHBondContact O-N 3.21Å; I401-V418 HydrophobicContact CD1-CB 4.34Å; I401-V418 HydrophobicContact CD1-CG2 3.74Å; I401-L421 PolarHBondContact N-O 2.99Å; I401-V422 HydrophobicContact CG2-CG1 3.58Å
402	T	83.2	Confident	85.2	Confident	79 Å²	79	63.6 Å²	63.6	49%	0.485	33%	0.33	S	S	.	.			trans	-135.8	166.4	176.8	72	0	0	0	0	109.3	P400 K404 S405	P400-T402 PolarHBondContact O-N 3.15Å; T402-K404 PolarHBondContact O-N 2.97Å; T402-K404 PolarHBondContact OG1-N 3.35Å; T402-S405 PolarHBondContact N-OG 3.47Å; T402-S405 WeakPolarHBondContact O-CB 3.41Å; T402-S405 PolarHBondContact O-N 3.1Å; T402-S405 PolarHBondContact O-OG 3.23Å; T402-S405 PolarHBondContact OG1-N 2.66Å; T402-S405 VanDerWaalsContact OG1-N 3.15Å; T402-S405 PolarHBondContact OG1-OG 2.83Å
403	K	75.4	Confident	85.7	Confident	224 Å²	224	61.4 Å²	61.4	97%	0.974	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.1	172.3	-65.4	-174.9	179.6	-178.5	0	113.6
404	K	72.5	Confident	86.3	Confident	200 Å²	200	62.4 Å²	62.4	87%	0.87	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	0	178.5	-63.4	-175.9	-179.7	179.4	0	113.1	T402 G406	T402-K404 PolarHBondContact O-N 2.97Å; T402-K404 PolarHBondContact OG1-N 3.35Å; K404-G406 PolarHBondContact O-N 3.36Å
405	S	76.6	Confident	86.6	Confident	31 Å²	31	61.1 Å²	61.1	22%	0.217	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.3	124.4	-179.3	-67.8	0	0	0	0	109.5	P400 T402 I407	P400-S405 PolarHBondContact O-OG 3.35Å; T402-S405 PolarHBondContact N-OG 3.47Å; T402-S405 WeakPolarHBondContact O-CB 3.41Å; T402-S405 PolarHBondContact O-N 3.1Å; T402-S405 PolarHBondContact O-OG 3.23Å; T402-S405 PolarHBondContact OG1-N 2.66Å; T402-S405 VanDerWaalsContact OG1-N 3.15Å; T402-S405 PolarHBondContact OG1-OG 2.83Å; S405-I407 PolarHBondContact O-N 2.03Å
406	G	78.3	Confident	86.8	Confident	26 Å²	26	61.2 Å²	61.2	27%	0.268	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-66.4	126	176.6	0	0	0	0	0	110	K404 R408	K404-G406 PolarHBondContact O-N 3.36Å; G406-R408 PolarHBondContact O-N 2.99Å
407	I	89.3	Confident	86.8	Confident	67 Å²	67	61 Å²	61	34%	0.344	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-65.4	130	164.9	-62.6	173.7	0	0	0	106.9	S405 Y416 V418 F465 S518	S405-I407 PolarHBondContact O-N 2.03Å; I407-Y416 HydrophobicContact CG2-CD2 3.66Å; I407-Y416 HydrophobicContact CG2-CG 4.26Å; I407-V418 HydrophobicContact CG1-CG1 4.23Å; I407-F465 HydrophobicContact CD1-CE2 3.89Å; I407-F465 HydrophobicContact CD1-CZ 4.1Å; I407-F465 HydrophobicContact CG1-CE2 3.96Å; I407-F465 HydrophobicContact CG1-CZ 4.01Å; I407-F465 HydrophobicContact CG2-CE2 3.98Å; I407-S518 PolarHBondContact O-OG 2.91Å; I407-S518 VanDerWaalsContact O-OG 3.13Å
408	R	91.2	Very high	86.8	Confident	113 Å²	113	61.4 Å²	61.4	43%	0.426	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.6	-179	-60.1	-173.4	-161.1	166.5	15.8	110.2	E399 G406 I410 Y416 G417 M462 S518	E399-R408 IonicContact OE1-CZ 2.73Å; E399-R408 IonicContact OE1-NH1 2.97Å; E399-R408 IonicContact OE1-NH2 3.76Å; E399-R408 PolarHBondContact OE1-NH2 3.24Å; E399-R408 IonicContact OE2-CZ 3.41Å; E399-R408 IonicContact OE2-NH2 3.01Å; E399-R408 PolarHBondContact OE2-NH2 3.24Å; G406-R408 PolarHBondContact O-N 2.99Å; R408-I410 PolarHBondContact O-N 3.02Å; R408-Y416 CarbonylContact O-C 3.52Å; R408-Y416 WeakPolarHBondContact O-CA 3.39Å; R408-G417 PolarHBondContact N-O 2.84Å; R408-G417 PolarHBondContact O-N 3.07Å; R408-M462 HydrophobicContact CB-CE 4.33Å; R408-S518 WeakPolarHBondContact CA-OG 3.16Å
409	C	92.8	Very high	87	Confident	26 Å²	26	58.7 Å²	58.7	18%	0.176	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	135	164.9	-68.7	0	0	0	0	110.1	P411 C501 F502 N503 S518	C409-P411 WeakPolarHBondContact O-CD 3.32Å; C409-C501 WeakPolarHBondContact CA-SG 2.99Å; C409-C501 HydrophobicContact CB-CB 3.89Å; C409-C501 WeakPolarHBondContact CB-SG 2.98Å; C409-C501 WeakPolarHBondContact SG-CB 3.4Å; C409-C501 CovalentContact SG-SG 2.04Å; C409-C501 PolarHBondContact SG-SG 3.4Å; C409-F502 WeakPolarHBondContact SG-CA 3.4Å; C409-F502 PolarHBondContact SG-N 3.26Å; C409-N503 PolarHBondContact N-OD1 3.32Å; C409-S518 PolarHBondContact N-OG 2.87Å; C409-S518 VanDerWaalsContact N-OG 3.09Å
410	I	91.8	Very high	87.2	Confident	10 Å²	10	55 Å²	55	5%	0.051	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-77.5	125	-179.2	-59.8	177.9	0	0	0	107.8	R408 H412 I413 A415 M462 M464	R408-I410 PolarHBondContact O-N 3.02Å; I410-H412 PolarHBondContact O-N 2.91Å; I410-I413 HydrophobicContact CB-CB 4.21Å; I410-I413 HydrophobicContact CG2-CB 3.86Å; I410-I413 HydrophobicContact CG2-CD1 3.98Å; I410-I413 HydrophobicContact CG2-CG1 4.21Å; I410-I413 PolarHBondContact O-N 3.22Å; I410-A415 HydrophobicContact CD1-CB 4.2Å; I410-A415 PolarHBondContact N-O 3.47Å; I410-M462 HydrophobicContact CB-CB 4.37Å; I410-M462 HydrophobicContact CG1-CB 4.19Å; I410-M462 HydrophobicContact CG2-CB 3.76Å; I410-M464 HydrophobicContact CD1-CB 3.6Å; I410-M464 VanDerWaalsContact CD1-N 3.26Å
411	P	83.3	Confident	87.4	Confident	60 Å²	60	54.3 Å²	54.3	39%	0.39	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	136	172.4	-24.9	34.8	0	0	0	110.4	C409 I413	C409-P411 WeakPolarHBondContact O-CD 3.32Å; P411-I413 PolarHBondContact O-N 2.64Å
412	H	77.7	Confident	87.6	Confident	92 Å²	92	52.2 Å²	52.2	43%	0.426	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	2.2	173.5	-46.7	-65.4	0	0	0	116.6	D369 I410	D369-H412 HydrophobicContact CB-CB 3.76Å; I410-H412 PolarHBondContact O-N 2.91Å
413	I	87.9	Confident	88.2	Confident	48 Å²	48	51.2 Å²	51.2	25%	0.246	26%	0.256	C	S	.	.	S	Bend	trans	-127.5	134	173.9	-61.7	170.9	0	0	0	107.8	I410 P411 A415	I410-I413 HydrophobicContact CB-CB 4.21Å; I410-I413 HydrophobicContact CG2-CB 3.86Å; I410-I413 HydrophobicContact CG2-CD1 3.98Å; I410-I413 HydrophobicContact CG2-CG1 4.21Å; I410-I413 PolarHBondContact O-N 3.22Å; P411-I413 PolarHBondContact O-N 2.64Å; I413-A415 HydrophobicContact CG2-CB 3.84Å; I413-A415 PolarHBondContact O-N 2.83Å
414	N	91.2	Very high	89	Confident	42 Å²	42	42 Å²	42	23%	0.225	22%	0.219	C	C	.	.	S	Bend	trans	-77.2	60	179.5	-170.5	22.5	0	0	0	112.2	C477 S499 R500 C501	N414-C477 WeakPolarHBondContact O-CB 3.43Å; N414-C477 PolarHBondContact O-N 3.47Å; N414-S499 PolarHBondContact ND2-O 3.45Å; N414-R500 WeakPolarHBondContact OD1-CA 3.16Å; N414-C501 PolarHBondContact OD1-N 2.87Å
415	A	93.7	Very high	90	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-151.3	162.4	-175.6	0	0	0	0	0	110.8	I410 I413 M464 S475 H476 C501	I410-A415 HydrophobicContact CD1-CB 4.2Å; I410-A415 PolarHBondContact N-O 3.47Å; I413-A415 HydrophobicContact CG2-CB 3.84Å; I413-A415 PolarHBondContact O-N 2.83Å; A415-M464 HydrophobicContact CB-CB 3.96Å; A415-M464 HydrophobicContact CB-SD 4.35Å; A415-S475 VanDerWaalsContact CA-O 3.26Å; A415-S475 WeakPolarHBondContact CA-O 3.19Å; A415-S475 WeakPolarHBondContact CB-O 3.48Å; A415-H476 HydrophobicContact CB-CB 4.29Å; A415-C501 PolarHBondContact O-SG 2.99Å
416	Y	93.8	Very high	90.9	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	155.5	167.2	55.6	-88.4	0	0	0	111.4	I407 R408 F465 S475 Y495	I407-Y416 HydrophobicContact CG2-CD2 3.66Å; I407-Y416 HydrophobicContact CG2-CG 4.26Å; R408-Y416 CarbonylContact O-C 3.52Å; R408-Y416 WeakPolarHBondContact O-CA 3.39Å; Y416-F465 AromaticContact CD2-CD2 3.95Å; Y416-F465 HydrophobicContact CD2-CD2 3.95Å; Y416-F465 HydrophobicContact CD2-CE2 4.15Å; Y416-F465 HydrophobicContact CE2-CD2 4Å; Y416-F465 HydrophobicContact CE2-CE2 4.45Å; Y416-S475 WeakPolarHBondContact CD1-O 3.24Å; Y416-S475 VanDerWaalsContact CD2-CB 3.5Å; Y416-S475 PolarHBondContact N-O 3.32Å; Y416-S475 VanDerWaalsContact O-CB 3.22Å; Y416-S475 WeakPolarHBondContact O-CB 3.47Å; Y416-S475 PolarHBondContact O-OG 2.92Å; Y416-Y495 PolarHBondContact OH-OH 2.83Å
417	G	93.2	Very high	91.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-161.3	-174.1	0	0	0	0	0	113.7	R408 S463	R408-G417 PolarHBondContact N-O 2.84Å; R408-G417 PolarHBondContact O-N 3.07Å; G417-S463 CarbonylContact C-O 3.48Å; G417-S463 WeakPolarHBondContact CA-O 3.25Å
418	V	92.7	Very high	91.8	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.8	-176.2	-71.8	0	0	0	0	110.6	I401 I407 N420 S463 F465	I401-V418 HydrophobicContact CD1-CB 4.34Å; I401-V418 HydrophobicContact CD1-CG2 3.74Å; I407-V418 HydrophobicContact CG1-CG1 4.23Å; V418-N420 PolarHBondContact O-N 2.65Å; V418-S463 PolarHBondContact N-O 2.81Å; V418-S463 PolarHBondContact O-N 2.72Å; V418-F465 HydrophobicContact CB-CZ 4.42Å; V418-F465 HydrophobicContact CG1-CE1 4.39Å; V418-F465 HydrophobicContact CG1-CZ 3.69Å; V418-F465 HydrophobicContact CG2-CE1 3.85Å; V418-F465 HydrophobicContact CG2-CZ 3.95Å
419	C	93.5	Very high	91.8	Very high	11 Å²	11	38.1 Å²	38.1	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.4	169.5	-177.9	0	0	0	0	109.1	C397 E399 L421 M462	C397-C419 HydrophobicContact CB-CB 3.67Å; C397-C419 WeakPolarHBondContact CB-SG 3.3Å; C397-C419 WeakPolarHBondContact SG-CA 3.15Å; C397-C419 WeakPolarHBondContact SG-CB 3.41Å; C397-C419 CovalentContact SG-SG 2.02Å; C397-C419 PolarHBondContact SG-SG 3.2Å; E399-C419 HydrophobicContact CB-CB 4.45Å; E399-C419 VanDerWaalsContact O-CB 3.3Å; E399-C419 WeakPolarHBondContact O-CB 3.25Å; E399-C419 PolarHBondContact O-SG 3.25Å; C419-L421 PolarHBondContact O-N 3.11Å; C419-M462 HydrophobicContact CB-SD 3.9Å; C419-M462 PolarHBondContact N-SD 2.69Å; C419-M462 VanDerWaalsContact N-SD 3.4Å
420	N	93.8	Very high	91.6	Very high	4 Å²	4	40 Å²	40	2%	0.021	23%	0.226	C	C	.	.			trans	-87.6	21.8	-171.7	83.4	-20.1	0	0	0	113.9	V418 V422 G451 F452 P460 Y461	V418-N420 PolarHBondContact O-N 2.65Å; N420-V422 PolarHBondContact O-N 2.69Å; N420-G451 WeakPolarHBondContact O-CA 3.29Å; N420-F452 HydrophobicContact CB-CD1 3.48Å; N420-F452 VanDerWaalsContact CB-CD1 3.48Å; N420-F452 HydrophobicContact CB-CE1 3.45Å; N420-F452 VanDerWaalsContact CB-CE1 3.45Å; N420-F452 PolarHBondContact O-N 3.07Å; N420-F452 VanDerWaalsContact O-N 3.07Å; N420-P460 WeakPolarHBondContact OD1-CA 3.36Å; N420-P460 WeakPolarHBondContact OD1-CB 3.44Å; N420-Y461 WeakPolarHBondContact CB-O 3.49Å; N420-Y461 PolarHBondContact N-O 3.32Å; N420-Y461 WeakPolarHBondContact ND2-CE1 3.29Å; N420-Y461 PolarHBondContact OD1-N 2.6Å; N420-Y461 PolarHBondContact OD1-O 3.13Å; N420-Y461 VanDerWaalsContact OD1-O 3.04Å
421	L	94.6	Very high	91.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.1	177.4	179.1	55.9	0	0	0	110.4	P400 I401 C419 F435 L438 F449 G450 P460	P400-L421 HydrophobicContact CG-CD2 4.02Å; P400-L421 HydrophobicContact CG-CG 4.47Å; I401-L421 PolarHBondContact N-O 2.99Å; C419-L421 PolarHBondContact O-N 3.11Å; L421-F435 HydrophobicContact CD1-CD2 4.2Å; L421-F435 HydrophobicContact CD1-CE2 3.92Å; L421-F435 HydrophobicContact CD2-CE2 4.34Å; L421-L438 HydrophobicContact CD2-CD1 4.34Å; L421-L438 HydrophobicContact CD2-CD2 3.72Å; L421-F449 HydrophobicContact CD1-CB 4.15Å; L421-G450 VanDerWaalsContact CD1-C 3.49Å; L421-P460 HydrophobicContact CB-CB 3.73Å; L421-P460 HydrophobicContact CB-CG 4.32Å; L421-P460 HydrophobicContact CD1-CB 4.25Å; L421-P460 HydrophobicContact CD1-CG 4.17Å; L421-P460 HydrophobicContact CG-CB 4.48Å
422	V	94.2	Very high	91.9	Very high	38 Å²	38	39.8 Å²	39.8	23%	0.23	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	164.2	-175.2	-67.1	0	0	0	0	110.8	I401 N420 V424 F449 G450 F452	I401-V422 HydrophobicContact CG2-CG1 3.58Å; N420-V422 PolarHBondContact O-N 2.69Å; V422-V424 HydrophobicContact CG2-CG1 4.05Å; V422-V424 PolarHBondContact O-N 3.47Å; V422-F449 VanDerWaalsContact O-CA 3.29Å; V422-F449 WeakPolarHBondContact O-CA 3.49Å; V422-G450 PolarHBondContact N-O 3.25Å; V422-G450 PolarHBondContact O-N 3.06Å; V422-G450 VanDerWaalsContact O-N 3.12Å; V422-F452 HydrophobicContact CG2-CB 3.77Å
423	N	94.5	Very high	92.6	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	113.6	158.6	-175	-28.3	0	0	0	108.3	G425 R445 R448 F449	N423-G425 PolarHBondContact O-N 2.84Å; N423-G425 PolarHBondContact OD1-N 3.07Å; N423-R445 PolarHBondContact ND2-NH2 3.38Å; N423-R448 CarbonylContact C-O 3.37Å; N423-R448 WeakPolarHBondContact CA-O 3.41Å; N423-R448 PolarHBondContact OD1-O 2.8Å; N423-F449 HydrophobicContact CB-CD1 4.47Å; N423-F449 HydrophobicContact CB-CD2 4.41Å; N423-F449 HydrophobicContact CB-CE1 4.06Å; N423-F449 HydrophobicContact CB-CE2 3.99Å; N423-F449 HydrophobicContact CB-CZ 3.81Å
424	V	93.6	Very high	92.7	Very high	31 Å²	31	33.7 Å²	33.7	19%	0.188	19%	0.191	C	C	.	.			trans	-77.8	0.4	-176	-58	0	0	0	0	113.4	V422 H426 L428 R448 Y458	V422-V424 HydrophobicContact CG2-CG1 4.05Å; V422-V424 PolarHBondContact O-N 3.47Å; V424-H426 VanDerWaalsContact C-N 3.26Å; V424-H426 WeakPolarHBondContact CG2-O 3.28Å; V424-H426 PolarHBondContact O-N 2.94Å; V424-H426 PolarHBondContact O-ND1 3.15Å; V424-L428 HydrophobicContact CG2-CD1 4.45Å; V424-L428 HydrophobicContact CG2-CD2 3.72Å; V424-L428 HydrophobicContact CG2-CG 3.95Å; V424-R448 WeakPolarHBondContact CG2-O 3.35Å; V424-R448 PolarHBondContact N-O 3.24Å; V424-Y458 HydrophobicContact CB-CE1 4.39Å; V424-Y458 HydrophobicContact CG1-CD1 3.92Å; V424-Y458 HydrophobicContact CG1-CE1 3.93Å
425	G	93.2	Very high	92.6	Very high	51 Å²	51	32.7 Å²	32.7	53%	0.526	18%	0.184	S	C	.	.	S	Bend	trans	85.7	-19.2	176.3	0	0	0	0	0	114.9	N423 R448	N423-G425 PolarHBondContact O-N 2.84Å; N423-G425 PolarHBondContact OD1-N 3.07Å; G425-R448 PolarHBondContact O-NH1 3Å
426	H	93.9	Very high	92.2	Very high	90 Å²	90	35.7 Å²	35.7	42%	0.417	20%	0.2	S	C	.	.	S	Bend	trans	-129.7	164	-178.8	61.7	-80.6	0	0	0	111.6	V424 L428 R448	V424-H426 VanDerWaalsContact C-N 3.26Å; V424-H426 WeakPolarHBondContact CG2-O 3.28Å; V424-H426 PolarHBondContact O-N 2.94Å; V424-H426 PolarHBondContact O-ND1 3.15Å; H426-L428 PolarHBondContact O-N 2.93Å; H426-R448 WeakPolarHBondContact O-CA 3.36Å; H426-R448 WeakPolarHBondContact O-CB 3.24Å; H426-R448 WeakPolarHBondContact O-CG 3.43Å
427	T	94.2	Very high	91.8	Very high	75 Å²	75	41.9 Å²	41.9	46%	0.46	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-73.2	124.4	175.3	-57.8	0	0	0	0	109.5	N447	T427-N447 HydrophobicContact CG2-CB 4.49Å
428	L	92.8	Very high	91.5	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.042	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-72	147.1	176.5	-68.3	171.9	0	0	0	110.7	V424 H426 H432 T433 N447 F449 Y458	V424-L428 HydrophobicContact CG2-CD1 4.45Å; V424-L428 HydrophobicContact CG2-CD2 3.72Å; V424-L428 HydrophobicContact CG2-CG 3.95Å; H426-L428 PolarHBondContact O-N 2.93Å; L428-H432 HydrophobicContact CB-CB 4.06Å; L428-H432 HydrophobicContact CD2-CB 4.22Å; L428-T433 HydrophobicContact CB-CG2 4.15Å; L428-N447 VanDerWaalsContact CB-O 3.31Å; L428-N447 WeakPolarHBondContact CB-O 3.42Å; L428-N447 PolarHBondContact N-O 2.98Å; L428-F449 WeakPolarHBondContact CD1-O 3.45Å; L428-Y458 HydrophobicContact CD2-CD1 3.54Å; L428-Y458 HydrophobicContact CD2-CD2 4.01Å; L428-Y458 HydrophobicContact CD2-CE1 3.59Å; L428-Y458 HydrophobicContact CD2-CE2 4.07Å; L428-Y458 HydrophobicContact CD2-CG 3.74Å
429	K	91.3	Very high	91	Very high	131 Å²	131	45 Å²	45	57%	0.57	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-62.7	155.4	171.4	-58.3	-176	-177.4	174.6	0	110.8	E431 H432 T433	K429-E431 HydrophobicContact CB-CG 4.04Å; K429-E431 VanDerWaalsContact CB-OE2 3.27Å; K429-E431 WeakPolarHBondContact CB-OE2 3.42Å; K429-E431 WeakPolarHBondContact CD-OE1 3.41Å; K429-E431 PolarHBondContact O-N 3.36Å; K429-E431 VanDerWaalsContact O-N 3.11Å; K429-H432 PolarHBondContact O-N 3.18Å; K429-T433 PolarHBondContact O-N 3.43Å
430	P	89.6	Confident	90.6	Very high	66 Å²	66	52.8 Å²	52.8	43%	0.429	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-49.9	-41.1	-177.6	-30.1	36.5	0	0	0	114.3	T276 S278 H432 T433	T276-P430 WeakPolarHBondContact CB-O 3.39Å; T276-P430 PolarHBondContact OG1-O 2.97Å; S278-P430 WeakPolarHBondContact OG-CA 3.31Å; S278-P430 WeakPolarHBondContact OG-CB 3.26Å; S278-P430 PolarHBondContact OG-O 3.5Å; P430-H432 PolarHBondContact O-N 2.89Å; P430-T433 PolarHBondContact O-N 3.05Å; P430-T433 PolarHBondContact O-OG1 3.02Å
431	E	88.9	Confident	90.5	Very high	42 Å²	42	53.5 Å²	53.5	20%	0.196	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-60.3	-22	176	55.8	-92.8	-142.7	0	0	114.8	W274 T276 Y283 K429 H434	W274-E431 PolarHBondContact NE1-O 3.39Å; T276-E431 WeakPolarHBondContact CG2-O 3.35Å; Y283-E431 HydrophobicContact CE1-CB 4.15Å; Y283-E431 HydrophobicContact CE2-CB 4.43Å; Y283-E431 WeakPolarHBondContact OH-CB 3.44Å; K429-E431 HydrophobicContact CB-CG 4.04Å; K429-E431 VanDerWaalsContact CB-OE2 3.27Å; K429-E431 WeakPolarHBondContact CB-OE2 3.42Å; K429-E431 WeakPolarHBondContact CD-OE1 3.41Å; K429-E431 PolarHBondContact O-N 3.36Å; K429-E431 VanDerWaalsContact O-N 3.11Å; E431-H434 PolarHBondContact O-CE1 3.08Å
432	H	91.9	Very high	90.3	Very high	23 Å²	23	59.5 Å²	59.5	11%	0.106	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-106.5	1.9	-177.3	-60.2	161.1	0	0	0	112.8	L428 K429 P430 H434 Y458	L428-H432 HydrophobicContact CB-CB 4.06Å; L428-H432 HydrophobicContact CD2-CB 4.22Å; K429-H432 PolarHBondContact O-N 3.18Å; P430-H432 PolarHBondContact O-N 2.89Å; H432-H434 PolarHBondContact O-CD2 3.31Å; H432-H434 VanDerWaalsContact O-CD2 3.25Å; H432-H434 PolarHBondContact O-N 3.44Å; H432-H434 VanDerWaalsContact O-N 3.11Å; H432-Y458 HydrophobicContact CB-CD2 3.88Å; H432-Y458 HydrophobicContact CB-CG 4.29Å; H432-Y458 AromaticContact CE1-CD2 3.81Å; H432-Y458 AromaticContact CE1-CE2 3.87Å; H432-Y458 AromaticContact CG-CD2 3.54Å; H432-Y458 AromaticContact ND1-CD2 3.25Å; H432-Y458 WeakPolarHBondContact ND1-CD2 3.13Å; H432-Y458 AromaticContact ND1-CE2 3.41Å; H432-Y458 WeakPolarHBondContact ND1-CE2 3.45Å
433	T	92.4	Very high	90	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.067	35%	0.347	C	S	.	.			trans	-85.3	75.5	-179	58	0	0	0	0	112.8	T276 V277 S278 L428 K429 P430 F435 N447	T276-T433 WeakPolarHBondContact CB-O 3.34Å; V277-T433 WeakPolarHBondContact CB-O 3.35Å; V277-T433 WeakPolarHBondContact CG2-O 3.39Å; V277-T433 PolarHBondContact N-O 2.74Å; S278-T433 PolarHBondContact OG-OG1 3Å; L428-T433 HydrophobicContact CB-CG2 4.15Å; K429-T433 PolarHBondContact O-N 3.43Å; P430-T433 PolarHBondContact O-N 3.05Å; P430-T433 PolarHBondContact O-OG1 3.02Å; T433-F435 PolarHBondContact O-N 3.42Å; T433-N447 HydrophobicContact CG2-CB 4.27Å
434	H	90.6	Very high	89.7	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.009	37%	0.365	C	S	.	.			trans	-78	-17	-171.8	-57.9	-56.1	0	0	0	115.2	C383 G384 E431 H432 D457 Y458	C383-H434 VanDerWaalsContact SG-CD2 3.5Å; G384-H434 WeakPolarHBondContact CA-O 2.94Å; E431-H434 PolarHBondContact O-CE1 3.08Å; H432-H434 PolarHBondContact O-CD2 3.31Å; H432-H434 VanDerWaalsContact O-CD2 3.25Å; H432-H434 PolarHBondContact O-N 3.44Å; H432-H434 VanDerWaalsContact O-N 3.11Å; H434-D457 PolarHBondContact NE2-O 3.22Å; H434-Y458 PolarHBondContact CD2-O 3.09Å
435	F	88.6	Confident	89.6	Confident	21 Å²	21	69.1 Å²	69.1	9%	0.092	38%	0.38	C	S	.	.			trans	-131.4	139.7	-169.6	-52.7	-78.3	0	0	0	114.1	I387 N398 L421 T433 L438 P460	I387-F435 HydrophobicContact CD1-CE1 3.74Å; I387-F435 HydrophobicContact CD1-CZ 3.86Å; N398-F435 HydrophobicContact CB-CE1 3.82Å; L421-F435 HydrophobicContact CD1-CD2 4.2Å; L421-F435 HydrophobicContact CD1-CE2 3.92Å; L421-F435 HydrophobicContact CD2-CE2 4.34Å; T433-F435 PolarHBondContact O-N 3.42Å; F435-L438 HydrophobicContact CB-CD1 3.97Å; F435-L438 HydrophobicContact CB-CD2 3.75Å; F435-L438 HydrophobicContact CB-CG 3.63Å; F435-L438 HydrophobicContact CD1-CD2 3.81Å; F435-L438 HydrophobicContact CD2-CD2 4.34Å; F435-L438 HydrophobicContact CG-CD1 4.36Å; F435-L438 HydrophobicContact CG-CD2 3.7Å; F435-L438 HydrophobicContact CG-CG 4.12Å; F435-P460 HydrophobicContact CE2-CG 3.53Å; F435-P460 HydrophobicContact CZ-CG 3.34Å
436	N	84.4	Confident	89.5	Confident	63 Å²	63	67.1 Å²	67.1	34%	0.337	36%	0.357	S	S	.	.	S	Bend	trans	-133	-2.2	173.2	62.2	-24.9	0	0	0	114.9	V277 K388 Q446	V277-N436 HydrophobicContact CB-CB 4.31Å; V277-N436 HydrophobicContact CG1-CB 3.63Å; V277-N436 HydrophobicContact CG2-CB 3.67Å; K388-N436 PolarHBondContact NZ-OD1 2.65Å; N436-Q446 PolarHBondContact O-NE2 2.97Å; N436-Q446 PolarHBondContact O-OE1 2.7Å; N436-Q446 VanDerWaalsContact O-OE1 3.11Å
437	N	85.8	Confident	89.4	Confident	139 Å²	139	65.8 Å²	65.8	74%	0.743	35%	0.353	S	S	*	.			trans	-132.5	47.2	178.7	-66.5	-21.4	0	0	0	111.6
438	L	87.9	Confident	89.4	Confident	10 Å²	10	67 Å²	67	5%	0.052	35%	0.348	C	S	.	.			trans	-71.5	133.4	176.5	-69.3	178.6	0	0	0	111.6	P400 L421 F435 V441 Q446 F449	P400-L438 HydrophobicContact CG-CB 4.4Å; P400-L438 HydrophobicContact CG-CD1 4.38Å; P400-L438 HydrophobicContact CG-CD2 4.34Å; L421-L438 HydrophobicContact CD2-CD1 4.34Å; L421-L438 HydrophobicContact CD2-CD2 3.72Å; F435-L438 HydrophobicContact CB-CD1 3.97Å; F435-L438 HydrophobicContact CB-CD2 3.75Å; F435-L438 HydrophobicContact CB-CG 3.63Å; F435-L438 HydrophobicContact CD1-CD2 3.81Å; F435-L438 HydrophobicContact CD2-CD2 4.34Å; F435-L438 HydrophobicContact CG-CD1 4.36Å; F435-L438 HydrophobicContact CG-CD2 3.7Å; F435-L438 HydrophobicContact CG-CG 4.12Å; L438-V441 HydrophobicContact CB-CB 3.9Å; L438-V441 HydrophobicContact CB-CG2 4.02Å; L438-V441 PolarHBondContact O-N 3.22Å; L438-Q446 HydrophobicContact CB-CG 4.36Å; L438-F449 HydrophobicContact CD1-CB 3.45Å; L438-F449 VanDerWaalsContact CD1-CB 3.45Å; L438-F449 HydrophobicContact CD1-CD1 4.02Å; L438-F449 HydrophobicContact CD1-CD2 4.5Å; L438-F449 HydrophobicContact CD1-CG 3.76Å
439	P	82.4	Confident	89.5	Confident	73 Å²	73	67.6 Å²	67.6	47%	0.474	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	137.7	178.8	28	-34.1	0	0	0	110.9	V441	P439-V441 PolarHBondContact O-N 3.33Å
440	N	85	Confident	89.7	Confident	173 Å²	173	61.4 Å²	61.4	93%	0.925	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	23.4	179.3	-48.2	-59.3	0	0	0	114.5
441	V	90	Very high	89.9	Confident	20 Å²	20	58.2 Å²	58.2	12%	0.121	30%	0.304	C	S	.	.	S	Bend	trans	-125.4	120.6	175.4	-177.3	0	0	0	0	109.4	P400 L438 P439 R445 Q446 F449	P400-V441 HydrophobicContact CG-CG2 4.08Å; L438-V441 HydrophobicContact CB-CB 3.9Å; L438-V441 HydrophobicContact CB-CG2 4.02Å; L438-V441 PolarHBondContact O-N 3.22Å; P439-V441 PolarHBondContact O-N 3.33Å; V441-R445 HydrophobicContact CG1-CB 4.38Å; V441-Q446 HydrophobicContact CB-CG 4.25Å; V441-Q446 HydrophobicContact CG1-CG 3.74Å; V441-Q446 PolarHBondContact O-NE2 3.17Å; V441-Q446 VanDerWaalsContact O-NE2 3.17Å; V441-F449 HydrophobicContact CB-CZ 4.44Å; V441-F449 HydrophobicContact CG1-CD2 3.81Å; V441-F449 HydrophobicContact CG1-CE1 4.41Å; V441-F449 HydrophobicContact CG1-CE2 3.34Å; V441-F449 HydrophobicContact CG1-CZ 3.68Å; V441-F449 HydrophobicContact CG2-CE1 3.93Å; V441-F449 HydrophobicContact CG2-CE2 4.32Å; V441-F449 HydrophobicContact CG2-CZ 3.81Å
442	E	90.7	Very high	90.1	Very high	126 Å²	126	60.6 Å²	60.6	59%	0.589	31%	0.313	S	S	*	.			trans	-51.9	132.3	175.9	-68.8	-55.5	137.8	0	0	111.9	S444 R445 Q446	E442-S444 PolarHBondContact O-N 3.33Å; E442-S444 VanDerWaalsContact O-N 3.12Å; E442-R445 HydrophobicContact CB-CG 4.3Å; E442-R445 PolarHBondContact O-N 2.94Å; E442-Q446 WeakPolarHBondContact O-CG 3.45Å; E442-Q446 PolarHBondContact O-N 3.07Å
443	P	88.2	Confident	90.1	Very high	98 Å²	98	59.7 Å²	59.7	64%	0.636	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-49.8	-40.5	-178.3	-30.1	35.6	0	0	0	114.3	R445 Q446	P443-R445 PolarHBondContact O-N 3Å; P443-Q446 PolarHBondContact O-N 3.35Å
444	S	88.5	Confident	90	Very high	97 Å²	97	63.2 Å²	63.2	68%	0.678	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.6	-16.9	179.9	60.9	0	0	0	0	114.4	E442 N447	E442-S444 PolarHBondContact O-N 3.33Å; E442-S444 VanDerWaalsContact O-N 3.12Å; S444-N447 PolarHBondContact O-OD1 3.18Å
445	R	91.1	Very high	90	Very high	133 Å²	133	65.4 Å²	65.4	50%	0.502	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-102.4	-11.6	-179.6	-61.6	-177.4	67.4	-167.8	1.4	113	N423 V441 E442 P443 N447 R448 F449	N423-R445 PolarHBondContact ND2-NH2 3.38Å; V441-R445 HydrophobicContact CG1-CB 4.38Å; E442-R445 HydrophobicContact CB-CG 4.3Å; E442-R445 PolarHBondContact O-N 2.94Å; P443-R445 PolarHBondContact O-N 3Å; R445-N447 VanDerWaalsContact C-N 3.26Å; R445-N447 PolarHBondContact O-N 2.88Å; R445-R448 WeakPolarHBondContact O-CB 3.07Å; R445-R448 PolarHBondContact O-N 2.65Å; R445-F449 HydrophobicContact CB-CE2 4.48Å; R445-F449 WeakPolarHBondContact O-CD2 3.37Å
446	Q	91.2	Very high	90.2	Very high	9 Å²	9	64.4 Å²	64.4	4%	0.042	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-66.8	-26.3	-172	-64.8	-167.4	36.9	0	0	113.5	N436 L438 V441 E442 P443 R448 F449	N436-Q446 PolarHBondContact O-NE2 2.97Å; N436-Q446 PolarHBondContact O-OE1 2.7Å; N436-Q446 VanDerWaalsContact O-OE1 3.11Å; L438-Q446 HydrophobicContact CB-CG 4.36Å; V441-Q446 HydrophobicContact CB-CG 4.25Å; V441-Q446 HydrophobicContact CG1-CG 3.74Å; V441-Q446 PolarHBondContact O-NE2 3.17Å; V441-Q446 VanDerWaalsContact O-NE2 3.17Å; E442-Q446 WeakPolarHBondContact O-CG 3.45Å; E442-Q446 PolarHBondContact O-N 3.07Å; P443-Q446 PolarHBondContact O-N 3.35Å; Q446-R448 PolarHBondContact O-N 3.36Å; Q446-R448 VanDerWaalsContact O-N 3.07Å; Q446-F449 PolarHBondContact O-N 3.15Å
447	N	92	Very high	90.6	Very high	62 Å²	62	61.8 Å²	61.8	33%	0.332	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-66.5	-2.8	171.4	66.6	-6.7	0	0	0	114.2	T427 L428 T433 S444 R445	T427-N447 HydrophobicContact CG2-CB 4.49Å; L428-N447 VanDerWaalsContact CB-O 3.31Å; L428-N447 WeakPolarHBondContact CB-O 3.42Å; L428-N447 PolarHBondContact N-O 2.98Å; T433-N447 HydrophobicContact CG2-CB 4.27Å; S444-N447 PolarHBondContact O-OD1 3.18Å; R445-N447 VanDerWaalsContact C-N 3.26Å; R445-N447 PolarHBondContact O-N 2.88Å
448	R	94.3	Very high	90.9	Very high	99 Å²	99	56.8 Å²	56.8	37%	0.374	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-104.5	4.7	172	-53.2	-173.1	173.6	-137.8	2.2	112.8	N423 V424 G425 H426 R445 Q446	N423-R448 CarbonylContact C-O 3.37Å; N423-R448 WeakPolarHBondContact CA-O 3.41Å; N423-R448 PolarHBondContact OD1-O 2.8Å; V424-R448 WeakPolarHBondContact CG2-O 3.35Å; V424-R448 PolarHBondContact N-O 3.24Å; G425-R448 PolarHBondContact O-NH1 3Å; H426-R448 WeakPolarHBondContact O-CA 3.36Å; H426-R448 WeakPolarHBondContact O-CB 3.24Å; H426-R448 WeakPolarHBondContact O-CG 3.43Å; R445-R448 WeakPolarHBondContact O-CB 3.07Å; R445-R448 PolarHBondContact O-N 2.65Å; Q446-R448 PolarHBondContact O-N 3.36Å; Q446-R448 VanDerWaalsContact O-N 3.07Å
449	F	94.9	Very high	91.2	Very high	22 Å²	22	56.3 Å²	56.3	10%	0.096	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.1	-179.2	-78.4	-105.8	0	0	0	111.3	P400 L421 V422 N423 L428 L438 V441 R445 Q446	P400-F449 HydrophobicContact CB-CD1 4.41Å; P400-F449 HydrophobicContact CB-CE1 4.2Å; L421-F449 HydrophobicContact CD1-CB 4.15Å; V422-F449 VanDerWaalsContact O-CA 3.29Å; V422-F449 WeakPolarHBondContact O-CA 3.49Å; N423-F449 HydrophobicContact CB-CD1 4.47Å; N423-F449 HydrophobicContact CB-CD2 4.41Å; N423-F449 HydrophobicContact CB-CE1 4.06Å; N423-F449 HydrophobicContact CB-CE2 3.99Å; N423-F449 HydrophobicContact CB-CZ 3.81Å; L428-F449 WeakPolarHBondContact CD1-O 3.45Å; L438-F449 HydrophobicContact CD1-CB 3.45Å; L438-F449 VanDerWaalsContact CD1-CB 3.45Å; L438-F449 HydrophobicContact CD1-CD1 4.02Å; L438-F449 HydrophobicContact CD1-CD2 4.5Å; L438-F449 HydrophobicContact CD1-CG 3.76Å; V441-F449 HydrophobicContact CB-CZ 4.44Å; V441-F449 HydrophobicContact CG1-CD2 3.81Å; V441-F449 HydrophobicContact CG1-CE1 4.41Å; V441-F449 HydrophobicContact CG1-CE2 3.34Å; V441-F449 HydrophobicContact CG1-CZ 3.68Å; V441-F449 HydrophobicContact CG2-CE1 3.93Å; V441-F449 HydrophobicContact CG2-CE2 4.32Å; V441-F449 HydrophobicContact CG2-CZ 3.81Å; R445-F449 HydrophobicContact CB-CE2 4.48Å; R445-F449 WeakPolarHBondContact O-CD2 3.37Å; Q446-F449 PolarHBondContact O-N 3.15Å
450	G	94.8	Very high	91.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	170.2	176.9	0	0	0	0	0	110.8	L421 V422	L421-G450 VanDerWaalsContact CD1-C 3.49Å; V422-G450 PolarHBondContact N-O 3.25Å; V422-G450 PolarHBondContact O-N 3.06Å; V422-G450 VanDerWaalsContact O-N 3.12Å
451	G	95	Very high	92.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	140.4	166.8	0	0	0	0	0	110.2	N420 D453 Y458	N420-G451 WeakPolarHBondContact O-CA 3.29Å; G451-D453 PolarHBondContact O-N 3.34Å; G451-Y458 PolarHBondContact N-O 2.85Å; G451-Y458 WeakPolarHBondContact O-CD1 3.25Å
452	F	92.3	Very high	92.4	Very high	91 Å²	91	45.4 Å²	45.4	40%	0.399	22%	0.223	S	C	.	.	S	Bend	trans	-69	-19.8	-179.7	79.2	-104.3	0	0	0	113.5	N420 V422 I454	N420-F452 HydrophobicContact CB-CD1 3.48Å; N420-F452 VanDerWaalsContact CB-CD1 3.48Å; N420-F452 HydrophobicContact CB-CE1 3.45Å; N420-F452 VanDerWaalsContact CB-CE1 3.45Å; N420-F452 PolarHBondContact O-N 3.07Å; N420-F452 VanDerWaalsContact O-N 3.07Å; V422-F452 HydrophobicContact CG2-CB 3.77Å; F452-I454 PolarHBondContact O-N 3.44Å
453	D	91.3	Very high	92.5	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.027	20%	0.201	C	C	.	.			trans	-78.8	102.4	-180	-168.6	-5.3	0	0	0	109.8	R326 G451 H455 A456 Y461	R326-D453 IonicContact CZ-OD2 2.73Å; R326-D453 IonicContact NE-OD2 3.51Å; R326-D453 PolarHBondContact NE-OD2 3.42Å; R326-D453 IonicContact NH2-OD2 3.17Å; R326-D453 PolarHBondContact NH2-OD2 3.02Å; G451-D453 PolarHBondContact O-N 3.34Å; D453-H455 PolarHBondContact O-N 3.34Å; D453-H455 IonicContact OD1-CD2 3.98Å; D453-H455 PolarHBondContact OD1-N 3.34Å; D453-A456 HydrophobicContact CB-CB 4.1Å; D453-A456 PolarHBondContact O-N 3.13Å; D453-A456 VanDerWaalsContact O-N 3.1Å; D453-Y461 HydrophobicContact CB-CE1 3.88Å; D453-Y461 PolarHBondContact OD2-OH 3.31Å; D453-Y461 VanDerWaalsContact OD2-OH 3.06Å
454	I	90.5	Very high	92.7	Very high	84 Å²	84	36.9 Å²	36.9	43%	0.431	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-62.2	-34	-177.1	65	176.9	0	0	0	112.2	F452 A456 D457 Y458	F452-I454 PolarHBondContact O-N 3.44Å; I454-A456 PolarHBondContact O-N 3.36Å; I454-D457 PolarHBondContact O-N 3.05Å; I454-Y458 HydrophobicContact CB-CE2 4.5Å; I454-Y458 HydrophobicContact CG2-CE1 4.02Å; I454-Y458 HydrophobicContact CG2-CE2 4.4Å
455	H	90.5	Very high	92.8	Very high	48 Å²	48	35 Å²	35	22%	0.222	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-70	-22.8	179.8	-63.4	-68.9	0	0	0	111.2	R326 P336 D453 D457	R326-H455 HydrophobicContact CB-CB 3.76Å; R326-H455 VanDerWaalsContact CB-O 3.3Å; R326-H455 WeakPolarHBondContact CB-O 3.17Å; R326-H455 HydrophobicContact CG-CB 3.87Å; P336-H455 HydrophobicContact CG-CB 3.97Å; D453-H455 PolarHBondContact O-N 3.34Å; D453-H455 IonicContact OD1-CD2 3.98Å; D453-H455 PolarHBondContact OD1-N 3.34Å; H455-D457 PolarHBondContact O-N 3.15Å
456	A	93.1	Very high	92.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-81.8	22.3	174.4	0	0	0	0	0	112.8	R326 R327 D453 I454 Y458 C459 Y461	R326-A456 HydrophobicContact CG-CB 3.93Å; R327-A456 HydrophobicContact CG-CB 4.26Å; R327-A456 VanDerWaalsContact CG-O 3.29Å; R327-A456 WeakPolarHBondContact CG-O 3.23Å; D453-A456 HydrophobicContact CB-CB 4.1Å; D453-A456 PolarHBondContact O-N 3.13Å; D453-A456 VanDerWaalsContact O-N 3.1Å; I454-A456 PolarHBondContact O-N 3.36Å; A456-Y458 PolarHBondContact O-N 3.15Å; A456-C459 WeakPolarHBondContact O-CB 3.16Å; A456-C459 PolarHBondContact O-N 2.94Å; A456-Y461 HydrophobicContact CB-CE1 4.23Å
457	D	92.1	Very high	92.5	Very high	8 Å²	8	37 Å²	37	4%	0.043	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	37.4	-172.1	-55.9	-49.1	0	0	0	113.7	W274 R285 R327 H434 I454 H455 C459	W274-D457 HydrophobicContact CH2-CB 4.34Å; W274-D457 WeakPolarHBondContact CH2-OD2 3.39Å; W274-D457 HydrophobicContact CZ2-CB 3.96Å; R285-D457 IonicContact CZ-OD2 3.07Å; R285-D457 IonicContact NH1-OD2 3.34Å; R285-D457 IonicContact NH2-OD1 3.55Å; R285-D457 IonicContact NH2-OD2 2.62Å; R285-D457 PolarHBondContact NH2-OD2 3.46Å; R327-D457 WeakPolarHBondContact CD-OD2 3.01Å; R327-D457 IonicContact NE-OD2 3.4Å; H434-D457 PolarHBondContact NE2-O 3.22Å; I454-D457 PolarHBondContact O-N 3.05Å; H455-D457 PolarHBondContact O-N 3.15Å; D457-C459 PolarHBondContact O-N 3.03Å; D457-C459 VanDerWaalsContact O-N 3.12Å
458	Y	93.8	Very high	92.2	Very high	35 Å²	35	35 Å²	35	14%	0.137	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	23	-172.9	-62.5	-93.3	0	0	0	114	V424 L428 H432 H434 G451 I454 A456 P460	V424-Y458 HydrophobicContact CB-CE1 4.39Å; V424-Y458 HydrophobicContact CG1-CD1 3.92Å; V424-Y458 HydrophobicContact CG1-CE1 3.93Å; L428-Y458 HydrophobicContact CD2-CD1 3.54Å; L428-Y458 HydrophobicContact CD2-CD2 4.01Å; L428-Y458 HydrophobicContact CD2-CE1 3.59Å; L428-Y458 HydrophobicContact CD2-CE2 4.07Å; L428-Y458 HydrophobicContact CD2-CG 3.74Å; H432-Y458 HydrophobicContact CB-CD2 3.88Å; H432-Y458 HydrophobicContact CB-CG 4.29Å; H432-Y458 AromaticContact CE1-CD2 3.81Å; H432-Y458 AromaticContact CE1-CE2 3.87Å; H432-Y458 AromaticContact CG-CD2 3.54Å; H432-Y458 AromaticContact ND1-CD2 3.25Å; H432-Y458 WeakPolarHBondContact ND1-CD2 3.13Å; H432-Y458 AromaticContact ND1-CE2 3.41Å; H432-Y458 WeakPolarHBondContact ND1-CE2 3.45Å; H434-Y458 PolarHBondContact CD2-O 3.09Å; G451-Y458 PolarHBondContact N-O 2.85Å; G451-Y458 WeakPolarHBondContact O-CD1 3.25Å; I454-Y458 HydrophobicContact CB-CE2 4.5Å; I454-Y458 HydrophobicContact CG2-CE1 4.02Å; I454-Y458 HydrophobicContact CG2-CE2 4.4Å; A456-Y458 PolarHBondContact O-N 3.15Å; Y458-P460 VanDerWaalsContact O-CD 3.32Å; Y458-P460 WeakPolarHBondContact O-CD 3.18Å
459	C	94.3	Very high	91.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.			trans	-78	119.8	172.3	-72.9	0	0	0	0	111	R327 C383 W396 A456 D457	R327-C459 PolarHBondContact NH1-SG 2.88Å; C383-C459 HydrophobicContact CB-CB 3.55Å; C383-C459 WeakPolarHBondContact CB-SG 3.45Å; C383-C459 WeakPolarHBondContact SG-CA 3.31Å; C383-C459 WeakPolarHBondContact SG-CB 3.14Å; C383-C459 CovalentContact SG-SG 2.02Å; C383-C459 PolarHBondContact SG-SG 2.76Å; W396-C459 HydrophobicContact CD2-CB 4.27Å; W396-C459 HydrophobicContact CE3-CB 3.73Å; W396-C459 HydrophobicContact CH2-CB 3.77Å; W396-C459 HydrophobicContact CZ2-CB 4.29Å; W396-C459 HydrophobicContact CZ3-CB 3.46Å; W396-C459 VanDerWaalsContact CZ3-CB 3.46Å; A456-C459 WeakPolarHBondContact O-CB 3.16Å; A456-C459 PolarHBondContact O-N 2.94Å; D457-C459 PolarHBondContact O-N 3.03Å; D457-C459 VanDerWaalsContact O-N 3.12Å
460	P	95	Very high	90.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.			trans	-79.1	138.1	-178.2	31.4	-37.3	0	0	0	112.6	W396 C397 N420 L421 F435 Y458	W396-P460 CarbonylContact C-O 3.58Å; W396-P460 VanDerWaalsContact CA-O 3.3Å; W396-P460 WeakPolarHBondContact CA-O 3.5Å; W396-P460 WeakPolarHBondContact CB-O 3.3Å; C397-P460 PolarHBondContact N-O 2.98Å; C397-P460 WeakPolarHBondContact O-CG 3.39Å; C397-P460 VanDerWaalsContact SG-C 3.59Å; N420-P460 WeakPolarHBondContact OD1-CA 3.36Å; N420-P460 WeakPolarHBondContact OD1-CB 3.44Å; L421-P460 HydrophobicContact CB-CB 3.73Å; L421-P460 HydrophobicContact CB-CG 4.32Å; L421-P460 HydrophobicContact CD1-CB 4.25Å; L421-P460 HydrophobicContact CD1-CG 4.17Å; L421-P460 HydrophobicContact CG-CB 4.48Å; F435-P460 HydrophobicContact CE2-CG 3.53Å; F435-P460 HydrophobicContact CZ-CG 3.34Å; Y458-P460 VanDerWaalsContact O-CD 3.32Å; Y458-P460 WeakPolarHBondContact O-CD 3.18Å
461	Y	93.8	Very high	90.5	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.02	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-138.2	165.4	176.8	62	-88.1	0	0	0	110.3	R326 I330 W370 W396 C397 N420 D453 A456 S463	R326-Y461 PolarHBondContact NH2-OH 2.74Å; I330-Y461 HydrophobicContact CD1-CD1 3.44Å; I330-Y461 VanDerWaalsContact CD1-CD1 3.44Å; I330-Y461 HydrophobicContact CD1-CD2 3.8Å; I330-Y461 HydrophobicContact CD1-CE1 3.59Å; I330-Y461 HydrophobicContact CD1-CE2 3.95Å; I330-Y461 HydrophobicContact CD1-CG 3.56Å; I330-Y461 HydrophobicContact CG2-CD2 4.4Å; I330-Y461 HydrophobicContact CG2-CE2 4.14Å; W370-Y461 HydrophobicContact CH2-CG 4.23Å; W396-Y461 HydrophobicContact CZ3-CD1 4.36Å; C397-Y461 VanDerWaalsContact SG-CA 3.53Å; C397-Y461 PolarHBondContact SG-N 2.87Å; C397-Y461 PolarHBondContact SG-O 2.82Å; C397-Y461 VanDerWaalsContact SG-O 3.41Å; N420-Y461 WeakPolarHBondContact CB-O 3.49Å; N420-Y461 PolarHBondContact N-O 3.32Å; N420-Y461 WeakPolarHBondContact ND2-CE1 3.29Å; N420-Y461 PolarHBondContact OD1-N 2.6Å; N420-Y461 PolarHBondContact OD1-O 3.13Å; N420-Y461 VanDerWaalsContact OD1-O 3.04Å; D453-Y461 HydrophobicContact CB-CE1 3.88Å; D453-Y461 PolarHBondContact OD2-OH 3.31Å; D453-Y461 VanDerWaalsContact OD2-OH 3.06Å; A456-Y461 HydrophobicContact CB-CE1 4.23Å; Y461-S463 PolarHBondContact O-N 3.2Å
462	M	93.3	Very high	90	Very high	31 Å²	31	45 Å²	45	15%	0.153	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	112.4	175.6	-69.4	-60.7	-63.4	0	0	109.6	C397 R408 I410 C419	C397-M462 HydrophobicContact CB-CG 4.27Å; C397-M462 HydrophobicContact CB-SD 4.09Å; R408-M462 HydrophobicContact CB-CE 4.33Å; I410-M462 HydrophobicContact CB-CB 4.37Å; I410-M462 HydrophobicContact CG1-CB 4.19Å; I410-M462 HydrophobicContact CG2-CB 3.76Å; C419-M462 HydrophobicContact CB-SD 3.9Å; C419-M462 PolarHBondContact N-SD 2.69Å; C419-M462 VanDerWaalsContact N-SD 3.4Å
463	S	91.8	Very high	89.9	Confident	20 Å²	20	40.8 Å²	40.8	14%	0.14	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.5	-176.8	-173.5	0	0	0	0	110.9	G417 V418 Y461	G417-S463 CarbonylContact C-O 3.48Å; G417-S463 WeakPolarHBondContact CA-O 3.25Å; V418-S463 PolarHBondContact N-O 2.81Å; V418-S463 PolarHBondContact O-N 2.72Å; Y461-S463 PolarHBondContact O-N 3.2Å
464	M	92.5	Very high	89.9	Confident	26 Å²	26	40.5 Å²	40.5	13%	0.128	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	159.2	174.5	63.1	171.9	-74.5	0	0	111.3	I340 I410 A415 N474 S475 H476	I340-M464 HydrophobicContact CD1-CE 4.06Å; I410-M464 HydrophobicContact CD1-CB 3.6Å; I410-M464 VanDerWaalsContact CD1-N 3.26Å; A415-M464 HydrophobicContact CB-CB 3.96Å; A415-M464 HydrophobicContact CB-SD 4.35Å; M464-N474 HydrophobicContact CE-CB 3.68Å; M464-S475 WeakPolarHBondContact CB-OG 3.35Å; M464-H476 HydrophobicContact CE-CB 3.68Å; M464-H476 HydrophobicContact SD-CB 4.24Å
465	F	91.3	Very high	90	Very high	57 Å²	57	36.5 Å²	36.5	25%	0.25	20%	0.202	C	C	.	.			trans	-81.7	128.2	173.2	-60.3	-68	0	0	0	109.8	I407 Y416 V418 V468 N474 S475	I407-F465 HydrophobicContact CD1-CE2 3.89Å; I407-F465 HydrophobicContact CD1-CZ 4.1Å; I407-F465 HydrophobicContact CG1-CE2 3.96Å; I407-F465 HydrophobicContact CG1-CZ 4.01Å; I407-F465 HydrophobicContact CG2-CE2 3.98Å; Y416-F465 AromaticContact CD2-CD2 3.95Å; Y416-F465 HydrophobicContact CD2-CD2 3.95Å; Y416-F465 HydrophobicContact CD2-CE2 4.15Å; Y416-F465 HydrophobicContact CE2-CD2 4Å; Y416-F465 HydrophobicContact CE2-CE2 4.45Å; V418-F465 HydrophobicContact CB-CZ 4.42Å; V418-F465 HydrophobicContact CG1-CE1 4.39Å; V418-F465 HydrophobicContact CG1-CZ 3.69Å; V418-F465 HydrophobicContact CG2-CE1 3.85Å; V418-F465 HydrophobicContact CG2-CZ 3.95Å; F465-V468 HydrophobicContact CB-CG2 3.63Å; F465-V468 HydrophobicContact CG-CG2 4.35Å; F465-N474 CarbonylContact O-C 3.55Å; F465-N474 WeakPolarHBondContact O-CA 3.42Å; F465-N474 WeakPolarHBondContact O-CB 3.33Å; F465-S475 PolarHBondContact N-OG 3.19Å; F465-S475 PolarHBondContact O-N 3.27Å; F465-S475 PolarHBondContact O-OG 2.94Å
466	N	88.7	Confident	90.1	Very high	79 Å²	79	35.6 Å²	35.6	42%	0.422	20%	0.198	S	C	.	.	S	Bend	trans	-80.6	-27.5	173.6	-66.3	-7.2	0	0	0	112.1	I340	I340-N466 HydrophobicContact CD1-CB 4.02Å; I340-N466 WeakPolarHBondContact CD1-OD1 3.42Å
467	N	87.1	Confident	90.1	Very high	106 Å²	106	35.6 Å²	35.6	57%	0.567	20%	0.198	S	C	*	.	S	Bend	trans	-135.5	134.1	176.6	-63.4	-50.5	0	0	0	108.5	T471 M473	N467-T471 WeakPolarHBondContact CB-O 3.43Å; N467-T471 PolarHBondContact OD1-O 2.88Å; N467-M473 CarbonylContact C-O 3.55Å; N467-M473 VanDerWaalsContact C-O 3.3Å; N467-M473 WeakPolarHBondContact CA-O 3.46Å
468	V	85.7	Confident	90.1	Very high	19 Å²	19	36.3 Å²	36.3	12%	0.115	21%	0.207	C	C	.	.	S	Bend	trans	-125.6	135.2	-178.7	175.6	0	0	0	0	108.6	F465 S470 T471 M473	F465-V468 HydrophobicContact CB-CG2 3.63Å; F465-V468 HydrophobicContact CG-CG2 4.35Å; V468-S470 VanDerWaalsContact C-N 3.3Å; V468-S470 PolarHBondContact O-N 3.08Å; V468-T471 WeakPolarHBondContact O-CB 3.5Å; V468-T471 PolarHBondContact O-N 3.14Å; V468-T471 PolarHBondContact O-OG1 2.71Å; V468-M473 HydrophobicContact CB-CE 3.7Å; V468-M473 HydrophobicContact CG1-CE 3.59Å; V468-M473 PolarHBondContact N-O 3.05Å
469	L	81	Confident	90	Very high	115 Å²	115	34.8 Å²	34.8	60%	0.602	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	40.4	177.9	-60.6	173.8	0	0	0	114.4	T471 V488 H489	L469-T471 PolarHBondContact O-N 3.44Å; L469-T471 VanDerWaalsContact O-N 3.11Å; L469-V488 HydrophobicContact CD1-CG1 4.35Å; L469-H489 VanDerWaalsContact CD1-CE1 3.44Å; L469-H489 WeakPolarHBondContact CD1-CE1 3.49Å
470	S	81.4	Confident	89.9	Confident	135 Å²	135	39.6 Å²	39.6	94%	0.944	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	20	-176.6	-53.5	0	0	0	0	114.4	V468	V468-S470 VanDerWaalsContact C-N 3.3Å; V468-S470 PolarHBondContact O-N 3.08Å
471	T	86	Confident	89.6	Confident	33 Å²	33	41.3 Å²	41.3	20%	0.202	24%	0.235	C	C	.	.	S	Bend	trans	-104.7	168.9	172.1	75.4	0	0	0	0	110.4	N467 V468 L469 M473 Y485	N467-T471 WeakPolarHBondContact CB-O 3.43Å; N467-T471 PolarHBondContact OD1-O 2.88Å; V468-T471 WeakPolarHBondContact O-CB 3.5Å; V468-T471 PolarHBondContact O-N 3.14Å; V468-T471 PolarHBondContact O-OG1 2.71Å; L469-T471 PolarHBondContact O-N 3.44Å; L469-T471 VanDerWaalsContact O-N 3.11Å; T471-M473 PolarHBondContact O-N 3.46Å; T471-M473 WeakPolarHBondContact OG1-CB 3.37Å; T471-M473 PolarHBondContact OG1-N 3.45Å; T471-Y485 HydrophobicContact CG2-CD1 4.37Å; T471-Y485 HydrophobicContact CG2-CE1 4.15Å
472	T	85.5	Confident	89.4	Confident	49 Å²	49	41.1 Å²	41.1	30%	0.301	24%	0.235	S	C	.	.	S	Bend	trans	-82.4	14.9	172.6	72.8	0	0	0	0	112.7	S205 Y485	S205-T472 PolarHBondContact O-OG1 2.85Å; T472-Y485 PolarHBondContact OG1-OH 2.96Å
473	M	88.5	Confident	89.2	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.251	C	S	.	.			trans	-75	130.9	175.6	-174.2	172.5	59.9	0	0	109.8	N467 V468 T471 N482 Y485 H489 Y495	N467-M473 CarbonylContact C-O 3.55Å; N467-M473 VanDerWaalsContact C-O 3.3Å; N467-M473 WeakPolarHBondContact CA-O 3.46Å; V468-M473 HydrophobicContact CB-CE 3.7Å; V468-M473 HydrophobicContact CG1-CE 3.59Å; V468-M473 PolarHBondContact N-O 3.05Å; T471-M473 PolarHBondContact O-N 3.46Å; T471-M473 WeakPolarHBondContact OG1-CB 3.37Å; T471-M473 PolarHBondContact OG1-N 3.45Å; M473-N482 HydrophobicContact CG-CB 4.01Å; M473-N482 WeakPolarHBondContact CG-OD1 3.32Å; M473-Y485 HydrophobicContact CB-CD2 3.46Å; M473-Y485 VanDerWaalsContact CB-CD2 3.46Å; M473-Y485 HydrophobicContact CB-CE2 3.63Å; M473-Y485 HydrophobicContact CB-CG 4.1Å; M473-Y485 HydrophobicContact CG-CD2 3.73Å; M473-Y485 HydrophobicContact CG-CE2 4.33Å; M473-Y485 HydrophobicContact CG-CG 4.34Å; M473-Y485 WeakPolarHBondContact SD-CB 3.32Å; M473-Y485 HydrophobicContact SD-CD2 3.9Å; M473-Y485 HydrophobicContact SD-CG 3.95Å; M473-H489 WeakPolarHBondContact CE-NE2 3.38Å; M473-Y495 HydrophobicContact SD-CE2 4.15Å
474	N	91.5	Very high	88.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.			trans	-94.6	166.6	169.1	66.4	71.7	0	0	0	110.8	N206 I340 M464 F465 H476 D479 N482	N206-N474 PolarHBondContact ND2-ND2 2.78Å; I340-N474 HydrophobicContact CD1-CB 3.48Å; I340-N474 VanDerWaalsContact CD1-CB 3.48Å; M464-N474 HydrophobicContact CE-CB 3.68Å; F465-N474 CarbonylContact O-C 3.55Å; F465-N474 WeakPolarHBondContact O-CA 3.42Å; F465-N474 WeakPolarHBondContact O-CB 3.33Å; N474-H476 VanDerWaalsContact C-N 3.31Å; N474-H476 PolarHBondContact O-N 3.14Å; N474-H476 WeakPolarHBondContact OD1-CB 3.45Å; N474-H476 PolarHBondContact OD1-N 2.78Å; N474-D479 PolarHBondContact ND2-OD2 2.89Å; N474-N482 PolarHBondContact N-OD1 2.9Å; N474-N482 PolarHBondContact ND2-OD1 3.49Å; N474-N482 PolarHBondContact O-ND2 3Å; N474-N482 PolarHBondContact OD1-ND2 3.48Å
475	S	92.9	Very high	88.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-88.5	13.1	-178.2	60.4	0	0	0	0	115	A415 Y416 M464 F465 C477	A415-S475 VanDerWaalsContact CA-O 3.26Å; A415-S475 WeakPolarHBondContact CA-O 3.19Å; A415-S475 WeakPolarHBondContact CB-O 3.48Å; Y416-S475 WeakPolarHBondContact CD1-O 3.24Å; Y416-S475 VanDerWaalsContact CD2-CB 3.5Å; Y416-S475 PolarHBondContact N-O 3.32Å; Y416-S475 VanDerWaalsContact O-CB 3.22Å; Y416-S475 WeakPolarHBondContact O-CB 3.47Å; Y416-S475 PolarHBondContact O-OG 2.92Å; M464-S475 WeakPolarHBondContact CB-OG 3.35Å; F465-S475 PolarHBondContact N-OG 3.19Å; F465-S475 PolarHBondContact O-N 3.27Å; F465-S475 PolarHBondContact O-OG 2.94Å; S475-C477 PolarHBondContact O-N 2.73Å
476	H	93.7	Very high	88.1	Confident	28 Å²	28	50.4 Å²	50.4	13%	0.13	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-80.5	118.8	177.7	-166.9	-82.4	0	0	0	111.1	M341 A415 M464 N474 G478 D479 N482	M341-H476 HydrophobicContact CG-CB 4.28Å; A415-H476 HydrophobicContact CB-CB 4.29Å; M464-H476 HydrophobicContact CE-CB 3.68Å; M464-H476 HydrophobicContact SD-CB 4.24Å; N474-H476 VanDerWaalsContact C-N 3.31Å; N474-H476 PolarHBondContact O-N 3.14Å; N474-H476 WeakPolarHBondContact OD1-CB 3.45Å; N474-H476 PolarHBondContact OD1-N 2.78Å; H476-G478 VanDerWaalsContact C-N 3.32Å; H476-G478 PolarHBondContact ND1-N 3.4Å; H476-G478 VanDerWaalsContact ND1-N 3.16Å; H476-G478 PolarHBondContact O-N 3.17Å; H476-D479 HydrophobicContact CB-CB 4.32Å; H476-D479 PolarHBondContact ND1-N 2.98Å; H476-D479 PolarHBondContact O-N 2.89Å; H476-N482 PolarHBondContact O-ND2 2.88Å
477	C	93	Very high	87.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.1	-173.7	-59.7	0	0	0	0	112.9	N414 S475 D479 Y495 G496 S499 C501 C520	N414-C477 WeakPolarHBondContact O-CB 3.43Å; N414-C477 PolarHBondContact O-N 3.47Å; S475-C477 PolarHBondContact O-N 2.73Å; C477-D479 VanDerWaalsContact C-N 3.28Å; C477-D479 PolarHBondContact O-N 2.6Å; C477-Y495 WeakPolarHBondContact O-CA 3.41Å; C477-G496 PolarHBondContact O-N 2.92Å; C477-S499 VanDerWaalsContact O-CB 3.23Å; C477-S499 WeakPolarHBondContact O-CB 3.34Å; C477-C501 VanDerWaalsContact SG-CA 3.59Å; C477-C501 PolarHBondContact SG-N 2.91Å; C477-C501 VanDerWaalsContact SG-N 3.45Å; C477-C520 WeakPolarHBondContact CA-SG 3.38Å; C477-C520 HydrophobicContact CB-CB 3.52Å; C477-C520 WeakPolarHBondContact CB-SG 3.16Å; C477-C520 WeakPolarHBondContact SG-CA 3.26Å; C477-C520 WeakPolarHBondContact SG-CB 3.18Å; C477-C520 CovalentContact SG-SG 2.03Å; C477-C520 PolarHBondContact SG-SG 2.95Å
478	G	91.9	Very high	86.8	Confident	23 Å²	23	52.9 Å²	52.9	24%	0.237	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-11.4	177.2	0	0	0	0	0	115.1	H476 I480	H476-G478 VanDerWaalsContact C-N 3.32Å; H476-G478 PolarHBondContact ND1-N 3.4Å; H476-G478 VanDerWaalsContact ND1-N 3.16Å; H476-G478 PolarHBondContact O-N 3.17Å; G478-I480 PolarHBondContact O-N 3.47Å
479	D	91.6	Very high	86	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	29%	0.285	C	S	.	.			trans	-77.6	115.2	-174.8	-172.9	-2.8	0	0	0	110.9	M341 N474 H476 C477 N481 N482	M341-D479 HydrophobicContact CE-CB 4.18Å; M341-D479 HydrophobicContact SD-CB 4.49Å; N474-D479 PolarHBondContact ND2-OD2 2.89Å; H476-D479 HydrophobicContact CB-CB 4.32Å; H476-D479 PolarHBondContact ND1-N 2.98Å; H476-D479 PolarHBondContact O-N 2.89Å; C477-D479 VanDerWaalsContact C-N 3.28Å; C477-D479 PolarHBondContact O-N 2.6Å; D479-N481 PolarHBondContact O-N 3.27Å; D479-N481 WeakPolarHBondContact OD1-CB 3.35Å; D479-N481 PolarHBondContact OD1-N 2.86Å; D479-N481 PolarHBondContact OD1-ND2 2.73Å; D479-N482 PolarHBondContact O-N 2.83Å
480	I	90.7	Very high	85.1	Confident	101 Å²	101	53.5 Å²	53.5	52%	0.518	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-70.4	-21.5	-179.8	-165.3	162.7	0	0	0	112.6	G478 N482 R483	G478-I480 PolarHBondContact O-N 3.47Å; I480-N482 PolarHBondContact O-N 3.02Å; I480-R483 WeakPolarHBondContact O-CB 3.4Å; I480-R483 PolarHBondContact O-N 3.28Å; I480-R483 VanDerWaalsContact O-N 3.11Å
481	N	89	Confident	84.5	Confident	35 Å²	35	48.9 Å²	48.9	19%	0.187	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-68.6	-24.4	178.4	-62.6	-33.3	0	0	0	111.8	N206 G208 D479 R483 K484	N206-N481 PolarHBondContact OD1-ND2 3.24Å; G208-N481 VanDerWaalsContact CA-ND2 3.33Å; G208-N481 WeakPolarHBondContact CA-ND2 3.47Å; G208-N481 PolarHBondContact N-ND2 3.43Å; D479-N481 PolarHBondContact O-N 3.27Å; D479-N481 WeakPolarHBondContact OD1-CB 3.35Å; D479-N481 PolarHBondContact OD1-N 2.86Å; D479-N481 PolarHBondContact OD1-ND2 2.73Å; N481-R483 PolarHBondContact O-N 3.43Å; N481-K484 WeakPolarHBondContact O-CG 3.3Å
482	N	90.2	Very high	83.9	Confident	2 Å²	2	49 Å²	49	1%	0.011	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-71.3	-12.4	174.6	-66.9	-24.1	0	0	0	112.9	M473 N474 H476 D479 I480 K484 Y485 Y495	M473-N482 HydrophobicContact CG-CB 4.01Å; M473-N482 WeakPolarHBondContact CG-OD1 3.32Å; N474-N482 PolarHBondContact N-OD1 2.9Å; N474-N482 PolarHBondContact ND2-OD1 3.49Å; N474-N482 PolarHBondContact O-ND2 3Å; N474-N482 PolarHBondContact OD1-ND2 3.48Å; H476-N482 PolarHBondContact O-ND2 2.88Å; D479-N482 PolarHBondContact O-N 2.83Å; I480-N482 PolarHBondContact O-N 3.02Å; N482-K484 PolarHBondContact O-N 3.46Å; N482-K484 VanDerWaalsContact O-N 3.12Å; N482-Y485 PolarHBondContact O-N 3.27Å; N482-Y495 HydrophobicContact CB-CD1 3.53Å; N482-Y495 HydrophobicContact CB-CD2 4.14Å; N482-Y495 HydrophobicContact CB-CE1 4.03Å; N482-Y495 HydrophobicContact CB-CG 3.59Å
483	R	88.6	Confident	83.8	Confident	130 Å²	130	47.1 Å²	47.1	49%	0.491	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-61.9	-21.9	-179.6	-167.4	171.3	-177.1	-177.6	-0	113.4	I480 N481 Y485 Q486	I480-R483 WeakPolarHBondContact O-CB 3.4Å; I480-R483 PolarHBondContact O-N 3.28Å; I480-R483 VanDerWaalsContact O-N 3.11Å; N481-R483 PolarHBondContact O-N 3.43Å; R483-Y485 PolarHBondContact O-N 3.07Å; R483-Q486 WeakPolarHBondContact O-CB 3.44Å; R483-Q486 PolarHBondContact O-N 2.71Å
484	K	86.2	Confident	83.9	Confident	112 Å²	112	49.2 Å²	49.2	49%	0.487	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-66.6	-15.4	172.7	69.1	-171.7	167.5	172.6	0	113.8	S205 N481 N482	S205-K484 PolarHBondContact O-NZ 3.42Å; N481-K484 WeakPolarHBondContact O-CG 3.3Å; N482-K484 PolarHBondContact O-N 3.46Å; N482-K484 VanDerWaalsContact O-N 3.12Å
485	Y	84.7	Confident	83.9	Confident	37 Å²	37	49.2 Å²	49.2	15%	0.145	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-105.8	11.5	177.6	-54.7	-69.3	0	0	0	113	T471 T472 M473 N482 R483 D487 V488	T471-Y485 HydrophobicContact CG2-CD1 4.37Å; T471-Y485 HydrophobicContact CG2-CE1 4.15Å; T472-Y485 PolarHBondContact OG1-OH 2.96Å; M473-Y485 HydrophobicContact CB-CD2 3.46Å; M473-Y485 VanDerWaalsContact CB-CD2 3.46Å; M473-Y485 HydrophobicContact CB-CE2 3.63Å; M473-Y485 HydrophobicContact CB-CG 4.1Å; M473-Y485 HydrophobicContact CG-CD2 3.73Å; M473-Y485 HydrophobicContact CG-CE2 4.33Å; M473-Y485 HydrophobicContact CG-CG 4.34Å; M473-Y485 WeakPolarHBondContact SD-CB 3.32Å; M473-Y485 HydrophobicContact SD-CD2 3.9Å; M473-Y485 HydrophobicContact SD-CG 3.95Å; N482-Y485 PolarHBondContact O-N 3.27Å; R483-Y485 PolarHBondContact O-N 3.07Å; Y485-D487 PolarHBondContact O-N 2.7Å; Y485-D487 VanDerWaalsContact O-N 3.16Å; Y485-V488 HydrophobicContact CD1-CG2 4.22Å; Y485-V488 WeakPolarHBondContact O-CB 3.21Å; Y485-V488 PolarHBondContact O-N 3.27Å
486	Q	82.1	Confident	83.8	Confident	49 Å²	49	49.4 Å²	49.4	23%	0.229	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-51.6	-39.8	-178.1	-178.3	74.2	22	0	0	112.7	R483 Q493	R483-Q486 WeakPolarHBondContact O-CB 3.44Å; R483-Q486 PolarHBondContact O-N 2.71Å; Q486-Q493 PolarHBondContact NE2-O 2.8Å; Q486-Q493 PolarHBondContact OE1-O 3.45Å
487	D	77.5	Confident	83.6	Confident	158 Å²	158	57.9 Å²	57.9	85%	0.845	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-86.4	-4.5	-176.5	-57	-45.4	0	0	0	113.7	Y485 H489	Y485-D487 PolarHBondContact O-N 2.7Å; Y485-D487 VanDerWaalsContact O-N 3.16Å; D487-H489 VanDerWaalsContact C-N 3.29Å
488	V	71.9	Confident	83.4	Confident	80 Å²	80	64.2 Å²	64.2	49%	0.485	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-75.2	-22.8	178.5	-178.3	0	0	0	0	111.3	L469 Y485	L469-V488 HydrophobicContact CD1-CG1 4.35Å; Y485-V488 HydrophobicContact CD1-CG2 4.22Å; Y485-V488 WeakPolarHBondContact O-CB 3.21Å; Y485-V488 PolarHBondContact O-N 3.27Å
489	H	67.4	Low	83.5	Confident	30 Å²	30	63.2 Å²	63.2	14%	0.139	31%	0.313	C	S	.	.			trans	-109.2	119.7	-176.2	-67.2	-65	0	0	0	112.4	L469 M473 D487 D491 Q493	L469-H489 VanDerWaalsContact CD1-CE1 3.44Å; L469-H489 WeakPolarHBondContact CD1-CE1 3.49Å; M473-H489 WeakPolarHBondContact CE-NE2 3.38Å; D487-H489 VanDerWaalsContact C-N 3.29Å; H489-D491 PolarHBondContact O-N 2.86Å; H489-Q493 HydrophobicContact CB-CB 3.96Å; H489-Q493 HydrophobicContact CB-CG 3.73Å; H489-Q493 VanDerWaalsContact CD2-CD 3.43Å; H489-Q493 PolarHBondContact CD2-OE1 3.3Å; H489-Q493 PolarHBondContact ND1-NE2 3.13Å; H489-Q493 PolarHBondContact NE2-OE1 3.12Å
490	S	62.5	Low	83.5	Confident	116 Å²	116	66.8 Å²	66.8	81%	0.811	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13.4	-179.9	53.9	0	0	0	0	115.1	S492	S490-S492 PolarHBondContact O-N 3.31Å
491	D	68.2	Low	83.7	Confident	38 Å²	38	62.8 Å²	62.8	20%	0.203	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	18.9	-167.6	-74.2	-29.4	0	0	0	115.3	H489 Q493 Y504 R536	H489-D491 PolarHBondContact O-N 2.86Å; D491-Q493 VanDerWaalsContact C-N 3.29Å; D491-Q493 PolarHBondContact O-N 2.94Å; D491-Y504 HydrophobicContact CB-CE2 4.41Å; D491-Y504 PolarHBondContact OD2-OH 2.91Å; D491-R536 IonicContact OD1-CZ 3.91Å; D491-R536 IonicContact OD1-NH1 4Å; D491-R536 PolarHBondContact OD1-NH1 2.79Å
492	S	74	Confident	83.9	Confident	35 Å²	35	61.2 Å²	61.2	25%	0.245	30%	0.298	C	S	.	.			trans	63	32.7	-174.1	-44.7	0	0	0	0	113.4	S490	S490-S492 PolarHBondContact O-N 3.31Å
493	Q	84	Confident	84	Confident	11 Å²	11	62.9 Å²	62.9	5%	0.051	31%	0.307	C	S	.	.			trans	-61.1	142.4	175.4	-66.5	-166	28.6	0	0	110.2	Q486 H489 D491 Y495 C520	Q486-Q493 PolarHBondContact NE2-O 2.8Å; Q486-Q493 PolarHBondContact OE1-O 3.45Å; H489-Q493 HydrophobicContact CB-CB 3.96Å; H489-Q493 HydrophobicContact CB-CG 3.73Å; H489-Q493 VanDerWaalsContact CD2-CD 3.43Å; H489-Q493 PolarHBondContact CD2-OE1 3.3Å; H489-Q493 PolarHBondContact ND1-NE2 3.13Å; H489-Q493 PolarHBondContact NE2-OE1 3.12Å; D491-Q493 VanDerWaalsContact C-N 3.29Å; D491-Q493 PolarHBondContact O-N 2.94Å; Q493-Y495 HydrophobicContact CB-CE2 4.15Å; Q493-Y495 PolarHBondContact OE1-OH 3.25Å; Q493-C520 CarbonylContact C-O 3.2Å; Q493-C520 WeakPolarHBondContact CA-O 3.47Å
494	Y	90.7	Very high	84.2	Confident	44 Å²	44	57.1 Å²	57.1	17%	0.173	29%	0.285	C	S	.	.			trans	-133.5	138.2	179.1	-179.3	-98.7	0	0	0	110	K498 S499 C520 Q522	Y494-K498 HydrophobicContact CE1-CB 4.27Å; Y494-S499 WeakPolarHBondContact O-CB 3.28Å; Y494-S499 PolarHBondContact O-OG 3.17Å; Y494-C520 PolarHBondContact N-O 3.29Å; Y494-C520 VanDerWaalsContact O-CB 3.24Å; Y494-C520 WeakPolarHBondContact O-CB 3.48Å; Y494-Q522 HydrophobicContact CD1-CB 3.72Å; Y494-Q522 HydrophobicContact CD1-CG 3.64Å; Y494-Q522 HydrophobicContact CD2-CB 4.48Å; Y494-Q522 HydrophobicContact CD2-CG 4.47Å; Y494-Q522 HydrophobicContact CE1-CB 4.4Å; Y494-Q522 HydrophobicContact CE1-CG 3.79Å; Y494-Q522 HydrophobicContact CG-CB 3.78Å; Y494-Q522 HydrophobicContact CG-CG 4.01Å
495	Y	91.3	Very high	84.4	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.262	C	S	.	.			trans	-122.6	136.9	179.5	-66.6	-87.7	0	0	0	112.2	Y416 M473 C477 N482 Q493 C520	Y416-Y495 PolarHBondContact OH-OH 2.83Å; M473-Y495 HydrophobicContact SD-CE2 4.15Å; C477-Y495 WeakPolarHBondContact O-CA 3.41Å; N482-Y495 HydrophobicContact CB-CD1 3.53Å; N482-Y495 HydrophobicContact CB-CD2 4.14Å; N482-Y495 HydrophobicContact CB-CE1 4.03Å; N482-Y495 HydrophobicContact CB-CG 3.59Å; Q493-Y495 HydrophobicContact CB-CE2 4.15Å; Q493-Y495 PolarHBondContact OE1-OH 3.25Å; Y495-C520 HydrophobicContact CD1-CB 4.15Å; Y495-C520 HydrophobicContact CE1-CB 3.87Å; Y495-C520 WeakPolarHBondContact CE1-SG 3.4Å
496	G	91	Very high	84.5	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	26%	0.26	C	S	.	.	S	Bend	trans	134.2	-169.2	176.4	0	0	0	0	0	113.8	C477 K498 S499	C477-G496 PolarHBondContact O-N 2.92Å; G496-K498 PolarHBondContact O-N 3.36Å; G496-S499 VanDerWaalsContact O-CB 3.26Å; G496-S499 WeakPolarHBondContact O-CB 3.29Å; G496-S499 PolarHBondContact O-N 3.45Å
497	K	88.5	Confident	84.8	Confident	207 Å²	207	49 Å²	49	90%	0.9	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.6	-171.3	-64.8	-175.4	178.9	-178.1	0	115.7
498	K	89.9	Confident	85	Confident	133 Å²	133	45.7 Å²	45.7	58%	0.578	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	25.1	178	-62.2	-177.9	-178.1	172.2	0	111.7	Y494 G496 Q522 V523	Y494-K498 HydrophobicContact CE1-CB 4.27Å; G496-K498 PolarHBondContact O-N 3.36Å; K498-Q522 CarbonylContact O-C 3.5Å; K498-Q522 WeakPolarHBondContact O-CA 3.44Å; K498-V523 WeakPolarHBondContact O-CG2 3.37Å; K498-V523 PolarHBondContact O-N 2.85Å
499	S	92.6	Very high	85.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.6	176.9	-172.6	0	0	0	0	111	N414 C477 Y494 G496 C520 F521	N414-S499 PolarHBondContact ND2-O 3.45Å; C477-S499 VanDerWaalsContact O-CB 3.23Å; C477-S499 WeakPolarHBondContact O-CB 3.34Å; Y494-S499 WeakPolarHBondContact O-CB 3.28Å; Y494-S499 PolarHBondContact O-OG 3.17Å; G496-S499 VanDerWaalsContact O-CB 3.26Å; G496-S499 WeakPolarHBondContact O-CB 3.29Å; G496-S499 PolarHBondContact O-N 3.45Å; S499-C520 WeakPolarHBondContact OG-CB 3.16Å; S499-F521 CarbonylContact C-O 3.16Å; S499-F521 VanDerWaalsContact CA-O 3.29Å; S499-F521 WeakPolarHBondContact CA-O 3.41Å; S499-F521 PolarHBondContact OG-O 2.84Å
500	R	92.7	Very high	85.3	Confident	79 Å²	79	50.3 Å²	50.3	30%	0.298	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.7	168.6	-76.2	-175.7	171.7	-102.8	8.1	112.8	N414 F502 C520 F521 V523 D568 A569	N414-R500 WeakPolarHBondContact OD1-CA 3.16Å; R500-F502 HydrophobicContact CB-CD2 4.36Å; R500-F502 HydrophobicContact CB-CE2 3.7Å; R500-F502 HydrophobicContact CB-CZ 4.4Å; R500-F502 VanDerWaalsContact O-CD2 3.27Å; R500-F502 WeakPolarHBondContact O-CD2 3.26Å; R500-C520 CarbonylContact O-C 3.6Å; R500-C520 WeakPolarHBondContact O-CA 3.46Å; R500-F521 PolarHBondContact N-O 2.87Å; R500-F521 PolarHBondContact O-N 3.35Å; R500-V523 HydrophobicContact CB-CG1 3.97Å; R500-V523 HydrophobicContact CG-CG1 4.34Å; R500-V523 HydrophobicContact CG-CG2 4.12Å; R500-D568 PolarHBondContact NH1-O 3.28Å; R500-D568 PolarHBondContact NH2-O 3.38Å; R500-A569 VanDerWaalsContact CZ-CA 3.43Å; R500-A569 PolarHBondContact NE-O 3.01Å; R500-A569 VanDerWaalsContact NH2-C 3.3Å; R500-A569 PolarHBondContact NH2-O 3.32Å
501	C	93.7	Very high	85.6	Confident	17 Å²	17	47.7 Å²	47.7	12%	0.115	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.5	170.2	-168.9	0	0	0	0	110.8	C409 N414 A415 C477 G519	C409-C501 WeakPolarHBondContact CA-SG 2.99Å; C409-C501 HydrophobicContact CB-CB 3.89Å; C409-C501 WeakPolarHBondContact CB-SG 2.98Å; C409-C501 WeakPolarHBondContact SG-CB 3.4Å; C409-C501 CovalentContact SG-SG 2.04Å; C409-C501 PolarHBondContact SG-SG 3.4Å; N414-C501 PolarHBondContact OD1-N 2.87Å; A415-C501 PolarHBondContact O-SG 2.99Å; C477-C501 VanDerWaalsContact SG-CA 3.59Å; C477-C501 PolarHBondContact SG-N 2.91Å; C477-C501 VanDerWaalsContact SG-N 3.45Å; C501-G519 CarbonylContact C-O 3.59Å; C501-G519 WeakPolarHBondContact CA-O 3.24Å
502	F	94	Very high	85.5	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142	168.2	-65.4	-107.1	0	0	0	110.2	C409 R500 S518 G519 F521 V523 H531 V533 I561 E562 P564	C409-F502 WeakPolarHBondContact SG-CA 3.4Å; C409-F502 PolarHBondContact SG-N 3.26Å; R500-F502 HydrophobicContact CB-CD2 4.36Å; R500-F502 HydrophobicContact CB-CE2 3.7Å; R500-F502 HydrophobicContact CB-CZ 4.4Å; R500-F502 VanDerWaalsContact O-CD2 3.27Å; R500-F502 WeakPolarHBondContact O-CD2 3.26Å; F502-S518 VanDerWaalsContact O-CA 3.3Å; F502-S518 WeakPolarHBondContact O-CA 3.37Å; F502-G519 PolarHBondContact N-O 3.19Å; F502-G519 PolarHBondContact O-N 3.1Å; F502-G519 VanDerWaalsContact O-N 3.08Å; F502-F521 HydrophobicContact CB-CD2 3.81Å; F502-F521 HydrophobicContact CB-CE2 4.18Å; F502-F521 HydrophobicContact CD2-CB 3.84Å; F502-F521 AromaticContact CD2-CD2 3.91Å; F502-F521 HydrophobicContact CD2-CD2 3.91Å; F502-F521 HydrophobicContact CD2-CG 4.3Å; F502-F521 HydrophobicContact CE2-CB 4.13Å; F502-F521 HydrophobicContact CG-CD2 4.2Å; F502-V523 HydrophobicContact CE2-CG1 3.52Å; F502-V523 HydrophobicContact CZ-CG1 3.56Å; F502-H531 AromaticContact CE1-CE1 3.98Å; F502-H531 AromaticContact CZ-CE1 3.78Å; F502-H531 AromaticContact CZ-NE2 3.73Å; F502-V533 HydrophobicContact CD1-CG2 4.4Å; F502-V533 HydrophobicContact CD2-CG2 4.22Å; F502-V533 HydrophobicContact CE1-CB 4.21Å; F502-V533 HydrophobicContact CE1-CG2 4.02Å; F502-V533 HydrophobicContact CE2-CG2 3.83Å; F502-V533 HydrophobicContact CZ-CB 4.03Å; F502-V533 HydrophobicContact CZ-CG2 3.73Å; F502-I561 HydrophobicContact CB-CD1 3.74Å; F502-I561 HydrophobicContact CB-CG1 3.76Å; F502-I561 HydrophobicContact CD1-CD1 3.91Å; F502-I561 HydrophobicContact CD1-CG1 3.9Å; F502-I561 HydrophobicContact CG-CD1 3.84Å; F502-I561 HydrophobicContact CG-CG1 4.1Å; F502-E562 VanDerWaalsContact CD1-O 3.31Å; F502-E562 WeakPolarHBondContact CD1-O 3.1Å; F502-P564 HydrophobicContact CE1-CG 4.47Å
503	N	93.2	Very high	85.6	Confident	36 Å²	36	59.8 Å²	59.8	19%	0.193	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.6	161.3	-57.1	-39.6	0	0	0	107.8	C409 F517 S518 W560 E562	C409-N503 PolarHBondContact N-OD1 3.32Å; N503-F517 CarbonylContact C-O 3.5Å; N503-F517 WeakPolarHBondContact CA-O 3.37Å; N503-S518 PolarHBondContact OD1-OG 3.26Å; N503-W560 HydrophobicContact CB-CZ3 4.43Å; N503-E562 HydrophobicContact CB-CB 4.18Å; N503-E562 WeakPolarHBondContact CB-OE2 3.48Å; N503-E562 PolarHBondContact ND2-OE2 2.71Å; N503-E562 PolarHBondContact O-N 2.8Å
504	Y	92.3	Very high	85.2	Confident	9 Å²	9	62.6 Å²	62.6	4%	0.035	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	166.2	179.9	73.3	-78.8	0	0	0	110	D491 F517 F521 F535 W560	D491-Y504 HydrophobicContact CB-CE2 4.41Å; D491-Y504 PolarHBondContact OD2-OH 2.91Å; Y504-F517 HydrophobicContact CD1-CB 4.08Å; Y504-F517 HydrophobicContact CE1-CB 3.62Å; Y504-F517 HydrophobicContact CE2-CB 4.16Å; Y504-F517 HydrophobicContact CE2-CD2 4.25Å; Y504-F517 PolarHBondContact N-O 2.79Å; Y504-F517 PolarHBondContact O-N 2.84Å; Y504-F517 VanDerWaalsContact O-O 3.1Å; Y504-F521 AromaticContact CD1-CE2 3.56Å; Y504-F521 HydrophobicContact CD1-CE2 3.56Å; Y504-F521 AromaticContact CD1-CZ 3.65Å; Y504-F521 HydrophobicContact CD1-CZ 3.65Å; Y504-F521 HydrophobicContact CD2-CZ 4.23Å; Y504-F521 AromaticContact CE1-CE2 3.88Å; Y504-F521 HydrophobicContact CE1-CE2 3.88Å; Y504-F521 AromaticContact CE1-CZ 3.8Å; Y504-F521 HydrophobicContact CE1-CZ 3.8Å; Y504-F521 HydrophobicContact CE2-CZ 4.36Å; Y504-F521 HydrophobicContact CG-CE2 4.1Å; Y504-F521 AromaticContact CG-CZ 3.87Å; Y504-F521 HydrophobicContact CG-CZ 3.87Å; Y504-F535 HydrophobicContact CD2-CE2 4.12Å; Y504-F535 HydrophobicContact CG-CE2 4.38Å; Y504-W560 CarbonylContact C-O 3.53Å; Y504-W560 VanDerWaalsContact CA-O 3.26Å; Y504-W560 WeakPolarHBondContact CA-O 3.36Å; Y504-W560 WeakPolarHBondContact CB-O 3.46Å
505	G	90.3	Very high	84.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-179.1	-177.3	0	0	0	0	0	114.8	W515 D559 W560	G505-W515 CarbonylContact C-O 3.57Å; G505-W515 WeakPolarHBondContact CA-O 3.43Å; G505-D559 CarbonylContact O-C 3.59Å; G505-D559 WeakPolarHBondContact O-CA 3.29Å; G505-W560 PolarHBondContact N-O 3.23Å; G505-W560 PolarHBondContact O-N 2.83Å
506	T	87.9	Confident	84.2	Confident	16 Å²	16	70.6 Å²	70.6	10%	0.098	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.4	175.7	-56.9	0	0	0	0	108.5	Y508 S514 W515 R557 D559	T506-Y508 HydrophobicContact CG2-CD2 4.22Å; T506-Y508 HydrophobicContact CG2-CE2 3.68Å; T506-S514 WeakPolarHBondContact O-CA 3.47Å; T506-W515 PolarHBondContact N-O 2.82Å; T506-W515 PolarHBondContact O-N 3.38Å; T506-R557 HydrophobicContact CG2-CB 4.45Å; T506-D559 WeakPolarHBondContact CB-OD1 3.22Å; T506-D559 VanDerWaalsContact CG2-OD1 3.31Å; T506-D559 WeakPolarHBondContact CG2-OD1 3.22Å; T506-D559 PolarHBondContact OG1-OD1 2.87Å
507	T	86.7	Confident	84	Confident	13 Å²	13	74.9 Å²	74.9	8%	0.08	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.9	174.1	-63.6	0	0	0	0	109.7	S514 R557 Y558 W560	T507-S514 PolarHBondContact OG1-OG 2.93Å; T507-R557 VanDerWaalsContact O-CA 3.3Å; T507-R557 WeakPolarHBondContact O-CA 3.5Å; T507-Y558 HydrophobicContact CG2-CD1 4.46Å; T507-Y558 HydrophobicContact CG2-CE1 3.62Å; T507-Y558 PolarHBondContact N-O 3.5Å; T507-Y558 PolarHBondContact O-N 3.41Å; T507-W560 PolarHBondContact OG1-NE1 2.72Å
508	Y	82.7	Confident	84.2	Confident	88 Å²	88	65.5 Å²	65.5	35%	0.345	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.3	175.6	-64.7	-96.2	0	0	0	108.8	T506 S510 N512 R513 W515 R557	T506-Y508 HydrophobicContact CG2-CD2 4.22Å; T506-Y508 HydrophobicContact CG2-CE2 3.68Å; Y508-S510 VanDerWaalsContact C-N 3.26Å; Y508-S510 PolarHBondContact O-N 3.05Å; Y508-N512 PolarHBondContact O-N 3.28Å; Y508-R513 PolarHBondContact N-O 2.78Å; Y508-W515 AromaticContact CD2-CD1 3.94Å; Y508-W515 AromaticContact CE2-CD1 3.54Å; Y508-W515 AromaticContact CE2-NE1 3.69Å; Y508-R557 HydrophobicContact CD1-CB 4.13Å; Y508-R557 HydrophobicContact CE1-CB 4.41Å
509	M	75.6	Confident	84.2	Confident	104 Å²	104	59.1 Å²	59.1	51%	0.512	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-33	-179.5	-57.3	-171.5	-135.7	0	0	111.1	G511 N555 T556	M509-G511 PolarHBondContact O-N 3.34Å; M509-N555 VanDerWaalsContact CE-O 3.27Å; M509-N555 WeakPolarHBondContact CE-O 3.33Å; M509-T556 PolarHBondContact N-O 2.9Å
510	S	69.8	Low	84.3	Confident	102 Å²	102	59 Å²	59	71%	0.713	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	111.8	170.8	-170.8	0	0	0	0	110.2	Y508	Y508-S510 VanDerWaalsContact C-N 3.26Å; Y508-S510 PolarHBondContact O-N 3.05Å
511	G	67.9	Low	84.3	Confident	62 Å²	62	55.3 Å²	55.3	64%	0.639	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	4.8	177.7	0	0	0	0	0	116.1	M509 R513	M509-G511 PolarHBondContact O-N 3.34Å; G511-R513 PolarHBondContact O-N 3.42Å; G511-R513 VanDerWaalsContact O-N 3.09Å
512	N	66.2	Low	84.3	Confident	145 Å²	145	56.8 Å²	56.8	78%	0.775	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.9	176	-122.3	9.4	0	0	0	114.3	Y508	Y508-N512 PolarHBondContact O-N 3.28Å
513	R	77	Confident	84.3	Confident	182 Å²	182	57.3 Å²	57.3	69%	0.687	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.6	-179.9	-65	-175.5	-177.1	179.7	1.5	109.7	Y508 G511	Y508-R513 PolarHBondContact N-O 2.78Å; G511-R513 PolarHBondContact O-N 3.42Å; G511-R513 VanDerWaalsContact O-N 3.09Å
514	S	76.1	Confident	84.3	Confident	70 Å²	70	61 Å²	61	49%	0.49	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.2	175	-164.6	0	0	0	0	110.3	T506 T507	T506-S514 WeakPolarHBondContact O-CA 3.47Å; T507-S514 PolarHBondContact OG1-OG 2.93Å
515	W	78.4	Confident	84.4	Confident	147 Å²	147	61.9 Å²	61.9	56%	0.557	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	123.3	171.8	-60.7	82.2	0	0	0	108.1	G505 T506 Y508 F517	G505-W515 CarbonylContact C-O 3.57Å; G505-W515 WeakPolarHBondContact CA-O 3.43Å; T506-W515 PolarHBondContact N-O 2.82Å; T506-W515 PolarHBondContact O-N 3.38Å; Y508-W515 AromaticContact CD2-CD1 3.94Å; Y508-W515 AromaticContact CE2-CD1 3.54Å; Y508-W515 AromaticContact CE2-NE1 3.69Å; W515-F517 HydrophobicContact CB-CE2 3.69Å; W515-F517 HydrophobicContact CB-CZ 3.97Å; W515-F517 HydrophobicContact CE3-CZ 4.44Å
516	S	82.4	Confident	84.5	Confident	66 Å²	66	62.8 Å²	62.8	46%	0.462	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.9	176	62.7	0	0	0	0	110.4
517	F	86.4	Confident	84.7	Confident	93 Å²	93	64.1 Å²	64.1	41%	0.408	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	173.5	176.5	-54.3	-79.5	0	0	0	109.3	N503 Y504 W515	N503-F517 CarbonylContact C-O 3.5Å; N503-F517 WeakPolarHBondContact CA-O 3.37Å; Y504-F517 HydrophobicContact CD1-CB 4.08Å; Y504-F517 HydrophobicContact CE1-CB 3.62Å; Y504-F517 HydrophobicContact CE2-CB 4.16Å; Y504-F517 HydrophobicContact CE2-CD2 4.25Å; Y504-F517 PolarHBondContact N-O 2.79Å; Y504-F517 PolarHBondContact O-N 2.84Å; Y504-F517 VanDerWaalsContact O-O 3.1Å; W515-F517 HydrophobicContact CB-CE2 3.69Å; W515-F517 HydrophobicContact CB-CZ 3.97Å; W515-F517 HydrophobicContact CE3-CZ 4.44Å
518	S	91.8	Very high	85	Confident	9 Å²	9	73.1 Å²	73.1	6%	0.063	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147	165.6	-53.1	0	0	0	0	110.1	I407 R408 C409 F502 N503	I407-S518 PolarHBondContact O-OG 2.91Å; I407-S518 VanDerWaalsContact O-OG 3.13Å; R408-S518 WeakPolarHBondContact CA-OG 3.16Å; C409-S518 PolarHBondContact N-OG 2.87Å; C409-S518 VanDerWaalsContact N-OG 3.09Å; F502-S518 VanDerWaalsContact O-CA 3.3Å; F502-S518 WeakPolarHBondContact O-CA 3.37Å; N503-S518 PolarHBondContact OD1-OG 3.26Å
519	G	91.6	Very high	85.5	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	171.9	-177	0	0	0	0	0	111.9	C501 F502 F521	C501-G519 CarbonylContact C-O 3.59Å; C501-G519 WeakPolarHBondContact CA-O 3.24Å; F502-G519 PolarHBondContact N-O 3.19Å; F502-G519 PolarHBondContact O-N 3.1Å; F502-G519 VanDerWaalsContact O-N 3.08Å; G519-F521 WeakPolarHBondContact O-CD2 3.19Å
520	C	93.4	Very high	86.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.6	-176.1	-60.5	0	0	0	0	110.3	C477 Q493 Y494 Y495 S499 R500	C477-C520 WeakPolarHBondContact CA-SG 3.38Å; C477-C520 HydrophobicContact CB-CB 3.52Å; C477-C520 WeakPolarHBondContact CB-SG 3.16Å; C477-C520 WeakPolarHBondContact SG-CA 3.26Å; C477-C520 WeakPolarHBondContact SG-CB 3.18Å; C477-C520 CovalentContact SG-SG 2.03Å; C477-C520 PolarHBondContact SG-SG 2.95Å; Q493-C520 CarbonylContact C-O 3.2Å; Q493-C520 WeakPolarHBondContact CA-O 3.47Å; Y494-C520 PolarHBondContact N-O 3.29Å; Y494-C520 VanDerWaalsContact O-CB 3.24Å; Y494-C520 WeakPolarHBondContact O-CB 3.48Å; Y495-C520 HydrophobicContact CD1-CB 4.15Å; Y495-C520 HydrophobicContact CE1-CB 3.87Å; Y495-C520 WeakPolarHBondContact CE1-SG 3.4Å; S499-C520 WeakPolarHBondContact OG-CB 3.16Å; R500-C520 CarbonylContact O-C 3.6Å; R500-C520 WeakPolarHBondContact O-CA 3.46Å
521	F	93.5	Very high	87.4	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.1	-178.1	-64.9	-90.6	0	0	0	111.4	S499 R500 F502 Y504 G519 V533 Y534 F535 I561	S499-F521 CarbonylContact C-O 3.16Å; S499-F521 VanDerWaalsContact CA-O 3.29Å; S499-F521 WeakPolarHBondContact CA-O 3.41Å; S499-F521 PolarHBondContact OG-O 2.84Å; R500-F521 PolarHBondContact N-O 2.87Å; R500-F521 PolarHBondContact O-N 3.35Å; F502-F521 HydrophobicContact CB-CD2 3.81Å; F502-F521 HydrophobicContact CB-CE2 4.18Å; F502-F521 HydrophobicContact CD2-CB 3.84Å; F502-F521 AromaticContact CD2-CD2 3.91Å; F502-F521 HydrophobicContact CD2-CD2 3.91Å; F502-F521 HydrophobicContact CD2-CG 4.3Å; F502-F521 HydrophobicContact CE2-CB 4.13Å; F502-F521 HydrophobicContact CG-CD2 4.2Å; Y504-F521 AromaticContact CD1-CE2 3.56Å; Y504-F521 HydrophobicContact CD1-CE2 3.56Å; Y504-F521 AromaticContact CD1-CZ 3.65Å; Y504-F521 HydrophobicContact CD1-CZ 3.65Å; Y504-F521 HydrophobicContact CD2-CZ 4.23Å; Y504-F521 AromaticContact CE1-CE2 3.88Å; Y504-F521 HydrophobicContact CE1-CE2 3.88Å; Y504-F521 AromaticContact CE1-CZ 3.8Å; Y504-F521 HydrophobicContact CE1-CZ 3.8Å; Y504-F521 HydrophobicContact CE2-CZ 4.36Å; Y504-F521 HydrophobicContact CG-CE2 4.1Å; Y504-F521 AromaticContact CG-CZ 3.87Å; Y504-F521 HydrophobicContact CG-CZ 3.87Å; G519-F521 WeakPolarHBondContact O-CD2 3.19Å; F521-V533 HydrophobicContact CB-CG2 3.71Å; F521-V533 HydrophobicContact CG-CG2 4.39Å; F521-Y534 WeakPolarHBondContact CD1-O 3.4Å; F521-F535 HydrophobicContact CD1-CD2 4.24Å; F521-F535 AromaticContact CE1-CD2 3.68Å; F521-F535 HydrophobicContact CE1-CD2 3.68Å; F521-F535 HydrophobicContact CE1-CE2 4.2Å; F521-F535 HydrophobicContact CZ-CD2 4.13Å; F521-F535 HydrophobicContact CZ-CE2 4.26Å; F521-I561 HydrophobicContact CD2-CD1 4.14Å; F521-I561 HydrophobicContact CE2-CD1 4.28Å; F521-I561 HydrophobicContact CG-CD1 4.24Å
522	Q	93.4	Very high	88.7	Confident	48 Å²	48	62.9 Å²	62.9	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.1	177.6	-161.3	179	11.2	0	0	110.5	Y494 K498 V533 Y534 W539	Y494-Q522 HydrophobicContact CD1-CB 3.72Å; Y494-Q522 HydrophobicContact CD1-CG 3.64Å; Y494-Q522 HydrophobicContact CD2-CB 4.48Å; Y494-Q522 HydrophobicContact CD2-CG 4.47Å; Y494-Q522 HydrophobicContact CE1-CB 4.4Å; Y494-Q522 HydrophobicContact CE1-CG 3.79Å; Y494-Q522 HydrophobicContact CG-CB 3.78Å; Y494-Q522 HydrophobicContact CG-CG 4.01Å; K498-Q522 CarbonylContact O-C 3.5Å; K498-Q522 WeakPolarHBondContact O-CA 3.44Å; Q522-V533 WeakPolarHBondContact O-CA 3.42Å; Q522-Y534 PolarHBondContact O-N 2.79Å; Q522-W539 HydrophobicContact CB-CH2 4.15Å; Q522-W539 HydrophobicContact CG-CH2 3.85Å
523	V	93.5	Very high	90.1	Very high	14 Å²	14	56 Å²	56	9%	0.085	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.7	178.4	-62	0	0	0	0	112.1	K498 R500 F502 L532	K498-V523 WeakPolarHBondContact O-CG2 3.37Å; K498-V523 PolarHBondContact O-N 2.85Å; R500-V523 HydrophobicContact CB-CG1 3.97Å; R500-V523 HydrophobicContact CG-CG1 4.34Å; R500-V523 HydrophobicContact CG-CG2 4.12Å; F502-V523 HydrophobicContact CE2-CG1 3.52Å; F502-V523 HydrophobicContact CZ-CG1 3.56Å; V523-L532 CarbonylContact C-O 3.6Å; V523-L532 VanDerWaalsContact CA-O 3.25Å; V523-L532 WeakPolarHBondContact CA-O 3.34Å
524	K	94.2	Very high	90.8	Very high	113 Å²	113	50.6 Å²	50.6	49%	0.491	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	117.8	173.9	-179.1	178.3	174.8	-172.3	0	109.9	L532 W539	K524-L532 HydrophobicContact CB-CB 4.27Å; K524-L532 HydrophobicContact CD-CD1 4.32Å; K524-L532 PolarHBondContact N-O 3.06Å; K524-L532 PolarHBondContact O-N 2.61Å; K524-W539 HydrophobicContact CB-CE3 4.38Å; K524-W539 HydrophobicContact CB-CH2 4.05Å; K524-W539 HydrophobicContact CB-CZ3 3.76Å
525	C	93.5	Very high	91.6	Very high	28 Å²	28	47.3 Å²	47.3	19%	0.189	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.3	170.2	-53.5	0	0	0	0	109.5	E530 C570 I575 R578	C525-E530 WeakPolarHBondContact CA-O 3.2Å; C525-C570 HydrophobicContact CB-CB 3.8Å; C525-C570 WeakPolarHBondContact CB-SG 3.36Å; C525-C570 VanDerWaalsContact SG-CA 3.53Å; C525-C570 WeakPolarHBondContact SG-CB 3.39Å; C525-C570 CovalentContact SG-SG 2.03Å; C525-C570 PolarHBondContact SG-SG 2.97Å; C525-I575 HydrophobicContact CB-CD1 4.09Å; C525-I575 HydrophobicContact CB-CG1 4.49Å; C525-R578 PolarHBondContact O-NH1 3.23Å
526	T	93.4	Very high	92	Very high	18 Å²	18	43.8 Å²	43.8	11%	0.11	20%	0.202	C	C	.	.			trans	-86.4	166.9	-176.5	80.6	0	0	0	0	111.7	R528 F529 E530 L532	T526-R528 PolarHBondContact O-N 2.03Å; T526-R528 PolarHBondContact OG1-N 3.25Å; T526-F529 PolarHBondContact O-N 3.5Å; T526-E530 WeakPolarHBondContact CB-OE2 3.43Å; T526-E530 HydrophobicContact CG2-CB 4.01Å; T526-E530 WeakPolarHBondContact CG2-OE2 3.3Å; T526-E530 PolarHBondContact N-O 3.11Å; T526-E530 VanDerWaalsContact OG1-CB 3.3Å; T526-E530 WeakPolarHBondContact OG1-CB 3.33Å; T526-E530 PolarHBondContact OG1-N 3Å; T526-E530 PolarHBondContact OG1-OE2 2.65Å; T526-L532 HydrophobicContact CG2-CD1 4.09Å; T526-L532 HydrophobicContact CG2-CG 4.31Å
527	L	92.1	Very high	92.1	Very high	44 Å²	44	50.3 Å²	50.3	23%	0.23	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-11.8	174.4	-61.5	-174.5	0	0	0	113.3	I575 R578 I579	L527-I575 HydrophobicContact CD2-CG2 4.41Å; L527-R578 HydrophobicContact CD2-CB 3.79Å; L527-I579 HydrophobicContact CB-CG1 4.22Å; L527-I579 HydrophobicContact CD2-CG1 4.01Å; L527-I579 HydrophobicContact CG-CG1 4.49Å
528	R	92.7	Very high	92.4	Very high	202 Å²	202	50.9 Å²	50.9	76%	0.762	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	8.1	171.7	-67.5	-179.6	177.5	177.7	-1.5	112.4	T526 E530	T526-R528 PolarHBondContact O-N 2.03Å; T526-R528 PolarHBondContact OG1-N 3.25Å; R528-E530 VanDerWaalsContact C-N 3.28Å; R528-E530 HydrophobicContact CB-CG 4.01Å; R528-E530 VanDerWaalsContact CD-OE1 3.29Å; R528-E530 WeakPolarHBondContact CD-OE1 3.45Å; R528-E530 PolarHBondContact O-N 3.17Å
529	F	91.9	Very high	92.4	Very high	59 Å²	59	55.3 Å²	55.3	26%	0.259	24%	0.236	S	C	.	.	S	Bend	trans	60.7	38.3	-174.6	-52.9	-90.8	0	0	0	112.5	T526 R544 F566 V572 I575 I579	T526-F529 PolarHBondContact O-N 3.5Å; F529-R544 PolarHBondContact O-NH1 3.4Å; F529-F566 HydrophobicContact CB-CE1 4.2Å; F529-F566 HydrophobicContact CB-CE2 4.15Å; F529-F566 HydrophobicContact CB-CZ 3.66Å; F529-F566 HydrophobicContact CD1-CE1 4.22Å; F529-F566 HydrophobicContact CD1-CZ 4.02Å; F529-F566 HydrophobicContact CG-CZ 4.36Å; F529-F566 WeakPolarHBondContact O-CD2 3.42Å; F529-F566 WeakPolarHBondContact O-CE2 3.39Å; F529-V572 HydrophobicContact CE1-CG1 4Å; F529-I575 HydrophobicContact CD1-CB 4.1Å; F529-I575 HydrophobicContact CD1-CD1 3.84Å; F529-I575 HydrophobicContact CD1-CG2 3.74Å; F529-I575 HydrophobicContact CE1-CB 3.75Å; F529-I575 HydrophobicContact CE1-CD1 4.33Å; F529-I575 HydrophobicContact CE1-CG2 3.44Å; F529-I575 VanDerWaalsContact CE1-CG2 3.44Å; F529-I575 HydrophobicContact CE2-CG2 4.3Å; F529-I575 HydrophobicContact CG-CG2 4.28Å; F529-I575 HydrophobicContact CZ-CB 4.44Å; F529-I575 HydrophobicContact CZ-CG2 3.76Å; F529-I579 HydrophobicContact CE2-CD1 4.03Å; F529-I579 HydrophobicContact CZ-CD1 4.03Å
530	E	93.4	Very high	92.6	Very high	51 Å²	51	57.9 Å²	57.9	24%	0.238	25%	0.245	C	C	.	.			trans	-95.9	141.7	170.2	-53.4	146.5	166.5	0	0	109	C525 T526 R528	C525-E530 WeakPolarHBondContact CA-O 3.2Å; T526-E530 WeakPolarHBondContact CB-OE2 3.43Å; T526-E530 HydrophobicContact CG2-CB 4.01Å; T526-E530 WeakPolarHBondContact CG2-OE2 3.3Å; T526-E530 PolarHBondContact N-O 3.11Å; T526-E530 VanDerWaalsContact OG1-CB 3.3Å; T526-E530 WeakPolarHBondContact OG1-CB 3.33Å; T526-E530 PolarHBondContact OG1-N 3Å; T526-E530 PolarHBondContact OG1-OE2 2.65Å; R528-E530 VanDerWaalsContact C-N 3.28Å; R528-E530 HydrophobicContact CB-CG 4.01Å; R528-E530 VanDerWaalsContact CD-OE1 3.29Å; R528-E530 WeakPolarHBondContact CD-OE1 3.45Å; R528-E530 PolarHBondContact O-N 3.17Å
531	H	93.4	Very high	92.6	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111	175	171	-150.2	0	0	0	108.5	F502 C542 F566 A569	F502-H531 AromaticContact CE1-CE1 3.98Å; F502-H531 AromaticContact CZ-CE1 3.78Å; F502-H531 AromaticContact CZ-NE2 3.73Å; H531-C542 HydrophobicContact CB-CB 4.25Å; H531-C542 WeakPolarHBondContact ND1-CB 3.24Å; H531-C542 WeakPolarHBondContact O-CB 3.34Å; H531-C542 PolarHBondContact O-N 2.85Å; H531-F566 HydrophobicContact CB-CD2 3.8Å; H531-F566 HydrophobicContact CB-CE2 4.3Å; H531-A569 WeakPolarHBondContact CE1-CB 3.48Å; H531-A569 WeakPolarHBondContact ND1-CB 3.17Å
532	L	95.4	Very high	92.8	Very high	28 Å²	28	64 Å²	64	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.5	177.5	-49.7	177.7	0	0	0	110.5	V523 K524 T526 W539 R540 E541	V523-L532 CarbonylContact C-O 3.6Å; V523-L532 VanDerWaalsContact CA-O 3.25Å; V523-L532 WeakPolarHBondContact CA-O 3.34Å; K524-L532 HydrophobicContact CB-CB 4.27Å; K524-L532 HydrophobicContact CD-CD1 4.32Å; K524-L532 PolarHBondContact N-O 3.06Å; K524-L532 PolarHBondContact O-N 2.61Å; T526-L532 HydrophobicContact CG2-CD1 4.09Å; T526-L532 HydrophobicContact CG2-CG 4.31Å; L532-W539 HydrophobicContact CB-CE3 3.78Å; L532-W539 HydrophobicContact CB-CZ3 4.35Å; L532-R540 CarbonylContact C-O 3.3Å; L532-R540 WeakPolarHBondContact CA-O 3.44Å; L532-E541 HydrophobicContact CD2-CB 3.62Å; L532-E541 HydrophobicContact CD2-CG 3.9Å
533	V	94.5	Very high	92.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.6	172.2	63.1	0	0	0	0	109.8	F502 F521 Q522 F535 R540 I549 I561	F502-V533 HydrophobicContact CD1-CG2 4.4Å; F502-V533 HydrophobicContact CD2-CG2 4.22Å; F502-V533 HydrophobicContact CE1-CB 4.21Å; F502-V533 HydrophobicContact CE1-CG2 4.02Å; F502-V533 HydrophobicContact CE2-CG2 3.83Å; F502-V533 HydrophobicContact CZ-CB 4.03Å; F502-V533 HydrophobicContact CZ-CG2 3.73Å; F521-V533 HydrophobicContact CB-CG2 3.71Å; F521-V533 HydrophobicContact CG-CG2 4.39Å; Q522-V533 WeakPolarHBondContact O-CA 3.42Å; V533-F535 PolarHBondContact O-N 3.4Å; V533-R540 HydrophobicContact CG1-CB 4.07Å; V533-R540 PolarHBondContact N-O 2.82Å; V533-R540 PolarHBondContact O-N 2.84Å; V533-I549 HydrophobicContact CG1-CD1 4.35Å; V533-I561 HydrophobicContact CG1-CD1 4.36Å; V533-I561 HydrophobicContact CG2-CD1 3.84Å
534	Y	92.9	Very high	92.8	Very high	68 Å²	68	69.7 Å²	69.7	27%	0.267	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	104.4	173.1	-168.3	-108	0	0	0	109.3	F521 Q522 R537 E538 W539	F521-Y534 WeakPolarHBondContact CD1-O 3.4Å; Q522-Y534 PolarHBondContact O-N 2.79Å; Y534-R537 VanDerWaalsContact CE2-C 3.42Å; Y534-R537 VanDerWaalsContact CE2-O 3.3Å; Y534-R537 WeakPolarHBondContact CE2-O 3.33Å; Y534-R537 VanDerWaalsContact CZ-C 3.44Å; Y534-R537 VanDerWaalsContact OH-CA 3.28Å; Y534-R537 WeakPolarHBondContact OH-CA 2.98Å; Y534-R537 PolarHBondContact OH-O 2.92Å; Y534-E538 WeakPolarHBondContact CA-O 3.01Å; Y534-W539 AromaticContact CD2-CD1 3.88Å; Y534-W539 AromaticContact CD2-CD2 3.92Å; Y534-W539 HydrophobicContact CD2-CD2 3.92Å; Y534-W539 AromaticContact CD2-CE2 3.74Å; Y534-W539 HydrophobicContact CD2-CG 4.02Å; Y534-W539 HydrophobicContact CD2-CZ2 4.28Å; Y534-W539 AromaticContact CD2-NE1 3.69Å
535	F	91.1	Very high	92.7	Very high	1 Å²	1	71.5 Å²	71.5	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.3	-174.6	-178.4	-116.5	0	0	0	109.7	Y504 F521 V533 R537 E538 R540 D559 I561	Y504-F535 HydrophobicContact CD2-CE2 4.12Å; Y504-F535 HydrophobicContact CG-CE2 4.38Å; F521-F535 HydrophobicContact CD1-CD2 4.24Å; F521-F535 AromaticContact CE1-CD2 3.68Å; F521-F535 HydrophobicContact CE1-CD2 3.68Å; F521-F535 HydrophobicContact CE1-CE2 4.2Å; F521-F535 HydrophobicContact CZ-CD2 4.13Å; F521-F535 HydrophobicContact CZ-CE2 4.26Å; V533-F535 PolarHBondContact O-N 3.4Å; F535-R537 VanDerWaalsContact C-N 3.33Å; F535-R537 PolarHBondContact O-N 2.73Å; F535-E538 PolarHBondContact N-O 2.65Å; F535-E538 PolarHBondContact O-N 2.97Å; F535-E538 VanDerWaalsContact O-O 3.08Å; F535-R540 HydrophobicContact CB-CG 4.45Å; F535-D559 HydrophobicContact CE1-CB 4.23Å; F535-D559 HydrophobicContact CZ-CB 4.19Å; F535-I561 HydrophobicContact CB-CD1 4.15Å; F535-I561 HydrophobicContact CB-CG2 4.5Å; F535-I561 HydrophobicContact CD1-CB 4.13Å; F535-I561 HydrophobicContact CD1-CG2 3.78Å; F535-I561 HydrophobicContact CD2-CB 4.26Å; F535-I561 HydrophobicContact CD2-CD1 3.72Å; F535-I561 HydrophobicContact CE1-CB 4.09Å; F535-I561 HydrophobicContact CE1-CG2 4.09Å; F535-I561 HydrophobicContact CE2-CB 4.22Å; F535-I561 HydrophobicContact CE2-CD1 4.29Å; F535-I561 HydrophobicContact CG-CB 4.21Å; F535-I561 HydrophobicContact CG-CD1 3.96Å; F535-I561 HydrophobicContact CG-CG2 4.05Å; F535-I561 HydrophobicContact CZ-CB 4.13Å
536	R	86.7	Confident	92.7	Very high	74 Å²	74	71.1 Å²	71.1	28%	0.279	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	51.2	-177.8	-62.6	-59.6	-165.6	-159.1	0.1	113.3	D491 E538 D559	D491-R536 IonicContact OD1-CZ 3.91Å; D491-R536 IonicContact OD1-NH1 4Å; D491-R536 PolarHBondContact OD1-NH1 2.79Å; R536-E538 PolarHBondContact O-N 3.5Å; R536-D559 IonicContact CZ-OD2 3.05Å; R536-D559 IonicContact NE-OD2 3.23Å; R536-D559 PolarHBondContact NE-OD2 2.88Å; R536-D559 IonicContact NH2-OD1 3.82Å; R536-D559 IonicContact NH2-OD2 3.57Å; R536-D559 PolarHBondContact NH2-OD2 2.89Å
537	R	86	Confident	92.7	Very high	202 Å²	202	71.7 Å²	71.7	76%	0.762	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	5.7	176.5	-55.6	-179.3	178.7	-175.7	-0.6	116.5	Y534 F535	Y534-R537 VanDerWaalsContact CE2-C 3.42Å; Y534-R537 VanDerWaalsContact CE2-O 3.3Å; Y534-R537 WeakPolarHBondContact CE2-O 3.33Å; Y534-R537 VanDerWaalsContact CZ-C 3.44Å; Y534-R537 VanDerWaalsContact OH-CA 3.28Å; Y534-R537 WeakPolarHBondContact OH-CA 2.98Å; Y534-R537 PolarHBondContact OH-O 2.92Å; F535-R537 VanDerWaalsContact C-N 3.33Å; F535-R537 PolarHBondContact O-N 2.73Å
538	E	91	Very high	92.8	Very high	105 Å²	105	74.1 Å²	74.1	49%	0.491	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.3	179.3	-66.5	-175.6	-172.6	0	0	111.6	Y534 F535 R536 R540	Y534-E538 WeakPolarHBondContact CA-O 3.01Å; F535-E538 PolarHBondContact N-O 2.65Å; F535-E538 PolarHBondContact O-N 2.97Å; F535-E538 VanDerWaalsContact O-O 3.08Å; R536-E538 PolarHBondContact O-N 3.5Å; E538-R540 IonicContact OE2-CZ 3.97Å; E538-R540 IonicContact OE2-NH1 3.05Å; E538-R540 PolarHBondContact OE2-NH1 3.19Å; E538-R540 IonicContact OE2-NH2 3.87Å; E538-R540 PolarHBondContact OE2-NH2 2.81Å
539	W	93.7	Very high	92.9	Very high	103 Å²	103	65.8 Å²	65.8	39%	0.39	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.4	169.6	-71.9	98.4	0	0	0	109.2	Q522 K524 L532 Y534	Q522-W539 HydrophobicContact CB-CH2 4.15Å; Q522-W539 HydrophobicContact CG-CH2 3.85Å; K524-W539 HydrophobicContact CB-CE3 4.38Å; K524-W539 HydrophobicContact CB-CH2 4.05Å; K524-W539 HydrophobicContact CB-CZ3 3.76Å; L532-W539 HydrophobicContact CB-CE3 3.78Å; L532-W539 HydrophobicContact CB-CZ3 4.35Å; Y534-W539 AromaticContact CD2-CD1 3.88Å; Y534-W539 AromaticContact CD2-CD2 3.92Å; Y534-W539 HydrophobicContact CD2-CD2 3.92Å; Y534-W539 AromaticContact CD2-CE2 3.74Å; Y534-W539 HydrophobicContact CD2-CG 4.02Å; Y534-W539 HydrophobicContact CD2-CZ2 4.28Å; Y534-W539 AromaticContact CD2-NE1 3.69Å
540	R	94.1	Very high	92.8	Very high	54 Å²	54	69.2 Å²	69.2	20%	0.204	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.9	180	-63.5	-75.7	179.9	-103.8	0.1	109.1	L532 V533 F535 E538 I549	L532-R540 CarbonylContact C-O 3.3Å; L532-R540 WeakPolarHBondContact CA-O 3.44Å; V533-R540 HydrophobicContact CG1-CB 4.07Å; V533-R540 PolarHBondContact N-O 2.82Å; V533-R540 PolarHBondContact O-N 2.84Å; F535-R540 HydrophobicContact CB-CG 4.45Å; E538-R540 IonicContact OE2-CZ 3.97Å; E538-R540 IonicContact OE2-NH1 3.05Å; E538-R540 PolarHBondContact OE2-NH1 3.19Å; E538-R540 IonicContact OE2-NH2 3.87Å; E538-R540 PolarHBondContact OE2-NH2 2.81Å; R540-I549 HydrophobicContact CB-CD1 3.82Å
541	E	95.1	Very high	92.5	Very high	123 Å²	123	67.8 Å²	67.8	58%	0.575	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.5	174.9	-173.6	173.3	172.3	0	0	110.5	L532 I549	L532-E541 HydrophobicContact CD2-CB 3.62Å; L532-E541 HydrophobicContact CD2-CG 3.9Å; E541-I549 WeakPolarHBondContact O-CD1 3.41Å
542	C	95.8	Very high	91.9	Very high	5 Å²	5	71.7 Å²	71.7	3%	0.034	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-72.7	135	173	-77.2	0	0	0	0	110.7	H531 R544 C563	H531-C542 HydrophobicContact CB-CB 4.25Å; H531-C542 WeakPolarHBondContact ND1-CB 3.24Å; H531-C542 WeakPolarHBondContact O-CB 3.34Å; H531-C542 PolarHBondContact O-N 2.85Å; C542-R544 PolarHBondContact O-N 2.74Å; C542-C563 WeakPolarHBondContact CA-SG 3.22Å; C542-C563 HydrophobicContact CB-CB 3.46Å; C542-C563 VanDerWaalsContact CB-CB 3.46Å; C542-C563 WeakPolarHBondContact CB-SG 3.5Å; C542-C563 WeakPolarHBondContact SG-CB 3.22Å; C542-C563 CovalentContact SG-SG 2.04Å; C542-C563 PolarHBondContact SG-SG 3.44Å
543	P	95.8	Very high	90.9	Very high	55 Å²	55	74 Å²	74	36%	0.357	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-53.7	139.2	169.4	-23	32.7	0	0	0	110.7	Q545 G546	P543-Q545 VanDerWaalsContact C-N 3.32Å; P543-Q545 PolarHBondContact O-N 2.92Å; P543-G546 PolarHBondContact O-N 3.25Å
544	R	92.4	Very high	89.9	Confident	126 Å²	126	78.5 Å²	78.5	48%	0.475	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-40.1	-172.3	-175.2	176.3	178.1	78.9	-1.5	113.1	F529 C542 G546 F566	F529-R544 PolarHBondContact O-NH1 3.4Å; C542-R544 PolarHBondContact O-N 2.74Å; R544-G546 PolarHBondContact O-N 2.69Å; R544-F566 HydrophobicContact CG-CB 4.11Å; R544-F566 WeakPolarHBondContact O-CB 3.4Å; R544-F566 PolarHBondContact O-N 2.75Å
545	Q	92.5	Very high	89.1	Confident	152 Å²	152	83.1 Å²	83.1	71%	0.71	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	7.1	177.7	-63	83.3	-3	0	0	113.4	P543 D565	P543-Q545 VanDerWaalsContact C-N 3.32Å; P543-Q545 PolarHBondContact O-N 2.92Å; Q545-D565 WeakPolarHBondContact CA-OD2 3.32Å
546	G	92.6	Very high	88.7	Confident	20 Å²	20	86.6 Å²	86.6	21%	0.206	43%	0.429	C	S	.	.			trans	78.2	173.6	-167.8	0	0	0	0	0	112.7	P543 R544 C563 P564	P543-G546 PolarHBondContact O-N 3.25Å; R544-G546 PolarHBondContact O-N 2.69Å; G546-C563 CarbonylContact C-O 3.56Å; G546-C563 WeakPolarHBondContact CA-O 3.47Å; G546-P564 WeakPolarHBondContact CA-O 3.25Å
547	G	93.9	Very high	88.6	Confident	30 Å²	30	86.6 Å²	86.6	31%	0.309	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-173.3	-178.6	0	0	0	0	0	113.1	C563	G547-C563 PolarHBondContact N-O 3.47Å; G547-C563 WeakPolarHBondContact O-CB 3.49Å; G547-C563 PolarHBondContact O-N 2.83Å
548	I	94.6	Very high	88.7	Confident	95 Å²	95	79.7 Å²	79.7	49%	0.487	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.8	-171.8	-60.6	175.3	0	0	0	110.6	K550 W560 I561	I548-K550 HydrophobicContact CG2-CG 4.12Å; I548-W560 HydrophobicContact CG2-CB 3.66Å; I548-W560 HydrophobicContact CG2-CE3 4.36Å; I548-W560 HydrophobicContact CG2-CG 4.37Å; I548-I561 WeakPolarHBondContact CA-O 3.35Å
549	I	93.6	Very high	88.7	Confident	26 Å²	26	74.7 Å²	74.7	13%	0.133	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.2	165	-52.9	177.2	0	0	0	107.8	V533 R540 E541 W560 I561 C563	V533-I549 HydrophobicContact CG1-CD1 4.35Å; R540-I549 HydrophobicContact CB-CD1 3.82Å; E541-I549 WeakPolarHBondContact O-CD1 3.41Å; I549-W560 WeakPolarHBondContact O-CA 3.31Å; I549-I561 HydrophobicContact CB-CG2 3.91Å; I549-I561 HydrophobicContact CD1-CG2 4.35Å; I549-I561 HydrophobicContact CG1-CG2 4.43Å; I549-I561 PolarHBondContact N-O 3.43Å; I549-I561 PolarHBondContact O-N 3.18Å; I549-C563 VanDerWaalsContact CD1-SG 3.58Å
550	K	91.2	Very high	88.6	Confident	131 Å²	131	71.2 Å²	71.2	57%	0.57	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.2	174.4	-61.1	-178.7	-177	-179.5	0	110.1	I548 Y558 D559 W560	I548-K550 HydrophobicContact CG2-CG 4.12Å; K550-Y558 HydrophobicContact CB-CD2 4.15Å; K550-Y558 HydrophobicContact CD-CD2 3.97Å; K550-Y558 HydrophobicContact CD-CE2 3.77Å; K550-Y558 HydrophobicContact CG-CD2 3.95Å; K550-Y558 HydrophobicContact CG-CE2 3.98Å; K550-D559 CarbonylContact C-O 3.54Å; K550-D559 WeakPolarHBondContact CA-O 3.31Å; K550-W560 HydrophobicContact CG-CB 4.41Å
551	T	86.8	Confident	88.6	Confident	21 Å²	21	68.7 Å²	68.7	13%	0.129	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.1	171.3	-57.7	0	0	0	0	108	L553 Y558 D559	T551-L553 PolarHBondContact O-N 3.18Å; T551-Y558 WeakPolarHBondContact O-CA 3.31Å; T551-D559 PolarHBondContact N-O 3.02Å; T551-D559 PolarHBondContact O-N 3.2Å
552	A	80.3	Confident	88.5	Confident	86 Å²	86	66.9 Å²	66.9	71%	0.711	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.5	173.6	0	0	0	0	0	109.2
553	L	74.3	Confident	88.4	Confident	78 Å²	78	66.9 Å²	66.9	41%	0.408	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-45.8	172.6	-70.8	176.4	0	0	0	110.3	T551 R557 D559	T551-L553 PolarHBondContact O-N 3.18Å; L553-R557 HydrophobicContact CB-CG 4.3Å; L553-R557 PolarHBondContact N-O 2.89Å; L553-D559 HydrophobicContact CD1-CB 4.29Å; L553-D559 VanDerWaalsContact CD1-CG 3.4Å; L553-D559 WeakPolarHBondContact CD1-OD1 3.33Å; L553-D559 WeakPolarHBondContact CD1-OD2 3.38Å
554	E	73.8	Confident	88.2	Confident	94 Å²	94	66.1 Å²	66.1	44%	0.439	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	167.4	-179.1	-67.8	166.1	-174.8	0	0	109.7	T556 R557	E554-T556 PolarHBondContact O-N 3.28Å; E554-R557 HydrophobicContact CB-CG 4.03Å; E554-R557 VanDerWaalsContact CD-NH2 3.33Å; E554-R557 PolarHBondContact N-O 2.83Å; E554-R557 PolarHBondContact O-N 2.65Å; E554-R557 IonicContact OE1-CZ 3.48Å; E554-R557 IonicContact OE1-NE 3.49Å; E554-R557 PolarHBondContact OE1-NE 3.05Å; E554-R557 IonicContact OE1-NH2 2.7Å; E554-R557 PolarHBondContact OE1-NH2 2.81Å; E554-R557 IonicContact OE2-CZ 3.53Å; E554-R557 IonicContact OE2-NE 2.83Å; E554-R557 PolarHBondContact OE2-NE 3.04Å; E554-R557 IonicContact OE2-NH2 3.53Å
555	N	76.9	Confident	88	Confident	165 Å²	165	62.7 Å²	62.7	88%	0.882	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.4	177	-73.6	-4.9	0	0	0	114.2	M509	M509-N555 VanDerWaalsContact CE-O 3.27Å; M509-N555 WeakPolarHBondContact CE-O 3.33Å
556	T	81.2	Confident	87.9	Confident	74 Å²	74	55.6 Å²	55.6	45%	0.454	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-7.5	-176.4	58.3	0	0	0	0	113.8	M509 E554	M509-T556 PolarHBondContact N-O 2.9Å; E554-T556 PolarHBondContact O-N 3.28Å
557	R	84.9	Confident	87.7	Confident	74 Å²	74	63.8 Å²	63.8	28%	0.279	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.8	-178.4	57.8	172.4	174.1	166.5	3.5	113.5	T506 T507 Y508 L553 E554	T506-R557 HydrophobicContact CG2-CB 4.45Å; T507-R557 VanDerWaalsContact O-CA 3.3Å; T507-R557 WeakPolarHBondContact O-CA 3.5Å; Y508-R557 HydrophobicContact CD1-CB 4.13Å; Y508-R557 HydrophobicContact CE1-CB 4.41Å; L553-R557 HydrophobicContact CB-CG 4.3Å; L553-R557 PolarHBondContact N-O 2.89Å; E554-R557 HydrophobicContact CB-CG 4.03Å; E554-R557 VanDerWaalsContact CD-NH2 3.33Å; E554-R557 PolarHBondContact N-O 2.83Å; E554-R557 PolarHBondContact O-N 2.65Å; E554-R557 IonicContact OE1-CZ 3.48Å; E554-R557 IonicContact OE1-NE 3.49Å; E554-R557 PolarHBondContact OE1-NE 3.05Å; E554-R557 IonicContact OE1-NH2 2.7Å; E554-R557 PolarHBondContact OE1-NH2 2.81Å; E554-R557 IonicContact OE2-CZ 3.53Å; E554-R557 IonicContact OE2-NE 2.83Å; E554-R557 PolarHBondContact OE2-NE 3.04Å; E554-R557 IonicContact OE2-NH2 3.53Å
558	Y	88.3	Confident	87.2	Confident	56 Å²	56	67.4 Å²	67.4	22%	0.22	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.4	169.2	68.8	-93.6	0	0	0	110.6	T507 K550 T551 W560	T507-Y558 HydrophobicContact CG2-CD1 4.46Å; T507-Y558 HydrophobicContact CG2-CE1 3.62Å; T507-Y558 PolarHBondContact N-O 3.5Å; T507-Y558 PolarHBondContact O-N 3.41Å; K550-Y558 HydrophobicContact CB-CD2 4.15Å; K550-Y558 HydrophobicContact CD-CD2 3.97Å; K550-Y558 HydrophobicContact CD-CE2 3.77Å; K550-Y558 HydrophobicContact CG-CD2 3.95Å; K550-Y558 HydrophobicContact CG-CE2 3.98Å; T551-Y558 WeakPolarHBondContact O-CA 3.31Å; Y558-W560 HydrophobicContact CD2-CB 4.3Å; Y558-W560 HydrophobicContact CE2-CB 4.19Å; Y558-W560 AromaticContact CE2-CD1 3.86Å; Y558-W560 HydrophobicContact CE2-CG 4.33Å
559	D	90.3	Very high	86.7	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	151.9	168.4	-81.9	-0.5	0	0	0	110	G505 T506 F535 R536 K550 T551 L553	G505-D559 CarbonylContact O-C 3.59Å; G505-D559 WeakPolarHBondContact O-CA 3.29Å; T506-D559 WeakPolarHBondContact CB-OD1 3.22Å; T506-D559 VanDerWaalsContact CG2-OD1 3.31Å; T506-D559 WeakPolarHBondContact CG2-OD1 3.22Å; T506-D559 PolarHBondContact OG1-OD1 2.87Å; F535-D559 HydrophobicContact CE1-CB 4.23Å; F535-D559 HydrophobicContact CZ-CB 4.19Å; R536-D559 IonicContact CZ-OD2 3.05Å; R536-D559 IonicContact NE-OD2 3.23Å; R536-D559 PolarHBondContact NE-OD2 2.88Å; R536-D559 IonicContact NH2-OD1 3.82Å; R536-D559 IonicContact NH2-OD2 3.57Å; R536-D559 PolarHBondContact NH2-OD2 2.89Å; K550-D559 CarbonylContact C-O 3.54Å; K550-D559 WeakPolarHBondContact CA-O 3.31Å; T551-D559 PolarHBondContact N-O 3.02Å; T551-D559 PolarHBondContact O-N 3.2Å; L553-D559 HydrophobicContact CD1-CB 4.29Å; L553-D559 VanDerWaalsContact CD1-CG 3.4Å; L553-D559 WeakPolarHBondContact CD1-OD1 3.33Å; L553-D559 WeakPolarHBondContact CD1-OD2 3.38Å
560	W	92.2	Very high	86.5	Confident	30 Å²	30	62 Å²	62	11%	0.114	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152.9	179.1	62.2	-92.8	0	0	0	111.8	N503 Y504 G505 T507 I548 I549 K550 Y558 E562	N503-W560 HydrophobicContact CB-CZ3 4.43Å; Y504-W560 CarbonylContact C-O 3.53Å; Y504-W560 VanDerWaalsContact CA-O 3.26Å; Y504-W560 WeakPolarHBondContact CA-O 3.36Å; Y504-W560 WeakPolarHBondContact CB-O 3.46Å; G505-W560 PolarHBondContact N-O 3.23Å; G505-W560 PolarHBondContact O-N 2.83Å; T507-W560 PolarHBondContact OG1-NE1 2.72Å; I548-W560 HydrophobicContact CG2-CB 3.66Å; I548-W560 HydrophobicContact CG2-CE3 4.36Å; I548-W560 HydrophobicContact CG2-CG 4.37Å; I549-W560 WeakPolarHBondContact O-CA 3.31Å; K550-W560 HydrophobicContact CG-CB 4.41Å; Y558-W560 HydrophobicContact CD2-CB 4.3Å; Y558-W560 HydrophobicContact CE2-CB 4.19Å; Y558-W560 AromaticContact CE2-CD1 3.86Å; Y558-W560 HydrophobicContact CE2-CG 4.33Å; W560-E562 HydrophobicContact CZ3-CB 4.14Å
561	I	93.7	Very high	86.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.4	172.9	-172.6	165.3	0	0	0	108.9	F502 F521 V533 F535 I548 I549	F502-I561 HydrophobicContact CB-CD1 3.74Å; F502-I561 HydrophobicContact CB-CG1 3.76Å; F502-I561 HydrophobicContact CD1-CD1 3.91Å; F502-I561 HydrophobicContact CD1-CG1 3.9Å; F502-I561 HydrophobicContact CG-CD1 3.84Å; F502-I561 HydrophobicContact CG-CG1 4.1Å; F521-I561 HydrophobicContact CD2-CD1 4.14Å; F521-I561 HydrophobicContact CE2-CD1 4.28Å; F521-I561 HydrophobicContact CG-CD1 4.24Å; V533-I561 HydrophobicContact CG1-CD1 4.36Å; V533-I561 HydrophobicContact CG2-CD1 3.84Å; F535-I561 HydrophobicContact CB-CD1 4.15Å; F535-I561 HydrophobicContact CB-CG2 4.5Å; F535-I561 HydrophobicContact CD1-CB 4.13Å; F535-I561 HydrophobicContact CD1-CG2 3.78Å; F535-I561 HydrophobicContact CD2-CB 4.26Å; F535-I561 HydrophobicContact CD2-CD1 3.72Å; F535-I561 HydrophobicContact CE1-CB 4.09Å; F535-I561 HydrophobicContact CE1-CG2 4.09Å; F535-I561 HydrophobicContact CE2-CB 4.22Å; F535-I561 HydrophobicContact CE2-CD1 4.29Å; F535-I561 HydrophobicContact CG-CB 4.21Å; F535-I561 HydrophobicContact CG-CD1 3.96Å; F535-I561 HydrophobicContact CG-CG2 4.05Å; F535-I561 HydrophobicContact CZ-CB 4.13Å; I548-I561 WeakPolarHBondContact CA-O 3.35Å; I549-I561 HydrophobicContact CB-CG2 3.91Å; I549-I561 HydrophobicContact CD1-CG2 4.35Å; I549-I561 HydrophobicContact CG1-CG2 4.43Å; I549-I561 PolarHBondContact N-O 3.43Å; I549-I561 PolarHBondContact O-N 3.18Å
562	E	94.4	Very high	86.4	Confident	86 Å²	86	60.3 Å²	60.3	40%	0.402	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	107.7	179.4	-176	-178.1	-164.1	0	0	109.6	F502 N503 W560	F502-E562 VanDerWaalsContact CD1-O 3.31Å; F502-E562 WeakPolarHBondContact CD1-O 3.1Å; N503-E562 HydrophobicContact CB-CB 4.18Å; N503-E562 WeakPolarHBondContact CB-OE2 3.48Å; N503-E562 PolarHBondContact ND2-OE2 2.71Å; N503-E562 PolarHBondContact O-N 2.8Å; W560-E562 HydrophobicContact CZ3-CB 4.14Å
563	C	93.7	Very high	86.8	Confident	4 Å²	4	61.8 Å²	61.8	3%	0.027	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.5	176	-70.9	0	0	0	0	111.4	C542 G546 G547 I549	C542-C563 WeakPolarHBondContact CA-SG 3.22Å; C542-C563 HydrophobicContact CB-CB 3.46Å; C542-C563 VanDerWaalsContact CB-CB 3.46Å; C542-C563 WeakPolarHBondContact CB-SG 3.5Å; C542-C563 WeakPolarHBondContact SG-CB 3.22Å; C542-C563 CovalentContact SG-SG 2.04Å; C542-C563 PolarHBondContact SG-SG 3.44Å; G546-C563 CarbonylContact C-O 3.56Å; G546-C563 WeakPolarHBondContact CA-O 3.47Å; G547-C563 PolarHBondContact N-O 3.47Å; G547-C563 WeakPolarHBondContact O-CB 3.49Å; G547-C563 PolarHBondContact O-N 2.83Å; I549-C563 VanDerWaalsContact CD1-SG 3.58Å
564	P	89.8	Confident	87.4	Confident	40 Å²	40	63.5 Å²	63.5	26%	0.26	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-72.9	169.4	168.4	34.5	-37.7	0	0	0	111.3	F502 G546 D568 A569	F502-P564 HydrophobicContact CE1-CG 4.47Å; G546-P564 WeakPolarHBondContact CA-O 3.25Å; P564-D568 HydrophobicContact CB-CB 4.21Å; P564-A569 HydrophobicContact CG-CB 4.13Å
565	D	89.8	Confident	88.3	Confident	53 Å²	53	59.1 Å²	59.1	28%	0.283	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-56.4	146	169.4	-175	-81.6	0	0	0	110.5	Q545 R567 D568 A569	Q545-D565 WeakPolarHBondContact CA-OD2 3.32Å; D565-R567 PolarHBondContact O-N 2.92Å; D565-R567 VanDerWaalsContact O-N 3.17Å; D565-R567 WeakPolarHBondContact OD1-CB 3.5Å; D565-R567 PolarHBondContact OD1-N 3.26Å; D565-D568 WeakPolarHBondContact O-CB 3.37Å; D565-D568 PolarHBondContact O-N 3.47Å; D565-A569 PolarHBondContact O-N 2.95Å; D565-A569 VanDerWaalsContact O-N 3.15Å
566	F	90.7	Very high	89	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-51.5	-40.4	178.6	174.3	-91.3	0	0	0	112.9	F529 H531 R544 D568 A569 C570 V572 I575	F529-F566 HydrophobicContact CB-CE1 4.2Å; F529-F566 HydrophobicContact CB-CE2 4.15Å; F529-F566 HydrophobicContact CB-CZ 3.66Å; F529-F566 HydrophobicContact CD1-CE1 4.22Å; F529-F566 HydrophobicContact CD1-CZ 4.02Å; F529-F566 HydrophobicContact CG-CZ 4.36Å; F529-F566 WeakPolarHBondContact O-CD2 3.42Å; F529-F566 WeakPolarHBondContact O-CE2 3.39Å; H531-F566 HydrophobicContact CB-CD2 3.8Å; H531-F566 HydrophobicContact CB-CE2 4.3Å; R544-F566 HydrophobicContact CG-CB 4.11Å; R544-F566 WeakPolarHBondContact O-CB 3.4Å; R544-F566 PolarHBondContact O-N 2.75Å; F566-D568 VanDerWaalsContact C-N 3.29Å; F566-D568 PolarHBondContact O-N 3.41Å; F566-A569 PolarHBondContact O-N 3.03Å; F566-C570 HydrophobicContact CD2-CB 4.14Å; F566-C570 HydrophobicContact CE1-CB 4.03Å; F566-C570 HydrophobicContact CE2-CB 3.6Å; F566-C570 HydrophobicContact CZ-CB 3.55Å; F566-C570 WeakPolarHBondContact O-CB 3.43Å; F566-C570 PolarHBondContact O-N 3.2Å; F566-V572 HydrophobicContact CE1-CG2 4.03Å; F566-I575 HydrophobicContact CE1-CD1 4.48Å; F566-I575 HydrophobicContact CE2-CD1 4.45Å; F566-I575 HydrophobicContact CZ-CD1 3.62Å
567	R	87.3	Confident	89.5	Confident	192 Å²	192	51.6 Å²	51.6	73%	0.725	27%	0.268	S	S	*	.	H	α-helix	trans	-71.5	-26.2	-177.8	-62.8	-178.7	178.5	-160.5	0.7	112.5	D565	D565-R567 PolarHBondContact O-N 2.92Å; D565-R567 VanDerWaalsContact O-N 3.17Å; D565-R567 WeakPolarHBondContact OD1-CB 3.5Å; D565-R567 PolarHBondContact OD1-N 3.26Å
568	D	83.5	Confident	89.9	Confident	105 Å²	105	52.6 Å²	52.6	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-76.3	-31.7	174.3	-64.2	-25.9	0	0	0	110.7	R500 P564 D565 F566	R500-D568 PolarHBondContact NH1-O 3.28Å; R500-D568 PolarHBondContact NH2-O 3.38Å; P564-D568 HydrophobicContact CB-CB 4.21Å; D565-D568 WeakPolarHBondContact O-CB 3.37Å; D565-D568 PolarHBondContact O-N 3.47Å; F566-D568 VanDerWaalsContact C-N 3.29Å; F566-D568 PolarHBondContact O-N 3.41Å
569	A	84.9	Confident	90.1	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-86.2	-39.6	-179.7	0	0	0	0	0	114.8	R500 H531 P564 D565 F566	R500-A569 VanDerWaalsContact CZ-CA 3.43Å; R500-A569 PolarHBondContact NE-O 3.01Å; R500-A569 VanDerWaalsContact NH2-C 3.3Å; R500-A569 PolarHBondContact NH2-O 3.32Å; H531-A569 WeakPolarHBondContact CE1-CB 3.48Å; H531-A569 WeakPolarHBondContact ND1-CB 3.17Å; P564-A569 HydrophobicContact CG-CB 4.13Å; D565-A569 PolarHBondContact O-N 2.95Å; D565-A569 VanDerWaalsContact O-N 3.15Å; F566-A569 PolarHBondContact O-N 3.03Å
570	C	88.9	Confident	90.2	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.02	30%	0.303	C	S	.	.	S	Bend	trans	-129.4	134.4	-165.2	-67.4	0	0	0	0	112.1	C525 F566 V572 I575	C525-C570 HydrophobicContact CB-CB 3.8Å; C525-C570 WeakPolarHBondContact CB-SG 3.36Å; C525-C570 VanDerWaalsContact SG-CA 3.53Å; C525-C570 WeakPolarHBondContact SG-CB 3.39Å; C525-C570 CovalentContact SG-SG 2.03Å; C525-C570 PolarHBondContact SG-SG 2.97Å; F566-C570 HydrophobicContact CD2-CB 4.14Å; F566-C570 HydrophobicContact CE1-CB 4.03Å; F566-C570 HydrophobicContact CE2-CB 3.6Å; F566-C570 HydrophobicContact CZ-CB 3.55Å; F566-C570 WeakPolarHBondContact O-CB 3.43Å; F566-C570 PolarHBondContact O-N 3.2Å; C570-V572 PolarHBondContact O-N 3.3Å; C570-I575 HydrophobicContact CB-CD1 4.22Å
571	S	87.2	Confident	90.2	Very high	55 Å²	55	66.2 Å²	66.2	39%	0.385	33%	0.33	S	S	.	.			trans	-80.2	111	175.1	175.2	0	0	0	0	111.3	T573 E574 I575	S571-T573 VanDerWaalsContact C-N 3.26Å; S571-T573 PolarHBondContact O-N 3.47Å; S571-E574 PolarHBondContact O-N 3.5Å; S571-E574 WeakPolarHBondContact OG-CB 3.38Å; S571-E574 PolarHBondContact OG-N 3.14Å; S571-E574 VanDerWaalsContact OG-N 3.12Å; S571-I575 WeakPolarHBondContact O-CG1 3.2Å; S571-I575 PolarHBondContact O-N 2.93Å
572	V	88.7	Confident	90	Very high	62 Å²	62	73 Å²	73	38%	0.376	36%	0.355	S	S	.	.	H	α-helix	trans	-56.4	-43.3	173.3	178.1	0	0	0	0	110.7	F529 F566 C570 E574 I575 S576	F529-V572 HydrophobicContact CE1-CG1 4Å; F566-V572 HydrophobicContact CE1-CG2 4.03Å; C570-V572 PolarHBondContact O-N 3.3Å; V572-E574 PolarHBondContact O-N 2.69Å; V572-I575 PolarHBondContact O-N 2.72Å; V572-S576 WeakPolarHBondContact O-CB 3.4Å; V572-S576 PolarHBondContact O-N 3.34Å; V572-S576 PolarHBondContact O-OG 3.45Å; V572-S576 VanDerWaalsContact O-OG 3.13Å
573	T	87.9	Confident	89.8	Confident	116 Å²	116	75.1 Å²	75.1	71%	0.712	36%	0.363	S	S	*	.	H	α-helix	trans	-62.3	-42.3	179.4	-52.2	0	0	0	0	111.8	S571 G577	S571-T573 VanDerWaalsContact C-N 3.26Å; S571-T573 PolarHBondContact O-N 3.47Å; T573-G577 PolarHBondContact O-N 2.85Å
574	E	87.7	Confident	89.6	Confident	115 Å²	115	80.2 Å²	80.2	54%	0.537	39%	0.39	S	S	.	.	H	α-helix	trans	-63.7	-45.4	177	-170.5	-166.3	149	0	0	111.2	S571 V572 G577 R578	S571-E574 PolarHBondContact O-N 3.5Å; S571-E574 WeakPolarHBondContact OG-CB 3.38Å; S571-E574 PolarHBondContact OG-N 3.14Å; S571-E574 VanDerWaalsContact OG-N 3.12Å; V572-E574 PolarHBondContact O-N 2.69Å; E574-G577 PolarHBondContact O-N 2.81Å; E574-R578 VanDerWaalsContact O-CG 3.32Å; E574-R578 WeakPolarHBondContact O-CG 3.39Å; E574-R578 PolarHBondContact O-N 3.46Å
575	I	91.6	Very high	89.4	Confident	1 Å²	1	87 Å²	87	1%	0.005	42%	0.416	C	S	.	.	H	α-helix	trans	-62.7	-50.1	179.7	-65.3	165.4	0	0	0	110.4	C525 L527 F529 F566 C570 S571 V572 G577 R578 I579	C525-I575 HydrophobicContact CB-CD1 4.09Å; C525-I575 HydrophobicContact CB-CG1 4.49Å; L527-I575 HydrophobicContact CD2-CG2 4.41Å; F529-I575 HydrophobicContact CD1-CB 4.1Å; F529-I575 HydrophobicContact CD1-CD1 3.84Å; F529-I575 HydrophobicContact CD1-CG2 3.74Å; F529-I575 HydrophobicContact CE1-CB 3.75Å; F529-I575 HydrophobicContact CE1-CD1 4.33Å; F529-I575 HydrophobicContact CE1-CG2 3.44Å; F529-I575 VanDerWaalsContact CE1-CG2 3.44Å; F529-I575 HydrophobicContact CE2-CG2 4.3Å; F529-I575 HydrophobicContact CG-CG2 4.28Å; F529-I575 HydrophobicContact CZ-CB 4.44Å; F529-I575 HydrophobicContact CZ-CG2 3.76Å; F566-I575 HydrophobicContact CE1-CD1 4.48Å; F566-I575 HydrophobicContact CE2-CD1 4.45Å; F566-I575 HydrophobicContact CZ-CD1 3.62Å; C570-I575 HydrophobicContact CB-CD1 4.22Å; S571-I575 WeakPolarHBondContact O-CG1 3.2Å; S571-I575 PolarHBondContact O-N 2.93Å; V572-I575 PolarHBondContact O-N 2.72Å; I575-G577 VanDerWaalsContact C-N 3.27Å; I575-G577 PolarHBondContact O-N 3.42Å; I575-R578 WeakPolarHBondContact O-CB 3.22Å; I575-R578 PolarHBondContact O-N 2.54Å; I575-I579 HydrophobicContact CG2-CD1 4.1Å; I575-I579 WeakPolarHBondContact O-CG1 3.49Å; I575-I579 PolarHBondContact O-N 3.17Å
576	S	92.6	Very high	89	Confident	56 Å²	56	91.9 Å²	91.9	39%	0.392	44%	0.437	S	S	.	.	H	α-helix	trans	-57.8	-40.6	176.1	-64.9	0	0	0	0	112.1	V572 R578 I579 R580	V572-S576 WeakPolarHBondContact O-CB 3.4Å; V572-S576 PolarHBondContact O-N 3.34Å; V572-S576 PolarHBondContact O-OG 3.45Å; V572-S576 VanDerWaalsContact O-OG 3.13Å; S576-R578 PolarHBondContact O-N 3.31Å; S576-I579 PolarHBondContact O-N 3.45Å; S576-R580 PolarHBondContact O-N 2.87Å
577	G	91.8	Very high	88	Confident	26 Å²	26	100.4 Å²	100.4	27%	0.268	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-39.8	174.2	0	0	0	0	0	113.2	T573 E574 I575 K581	T573-G577 PolarHBondContact O-N 2.85Å; E574-G577 PolarHBondContact O-N 2.81Å; I575-G577 VanDerWaalsContact C-N 3.27Å; I575-G577 PolarHBondContact O-N 3.42Å; G577-K581 WeakPolarHBondContact O-CG 3.5Å; G577-K581 PolarHBondContact O-N 3.5Å
578	R	92.3	Very high	88.1	Confident	94 Å²	94	95.9 Å²	95.9	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-39.4	175.5	-70.8	168.9	63.6	-164.9	-5.4	112.1	C525 L527 E574 I575 S576 K581 R582	C525-R578 PolarHBondContact O-NH1 3.23Å; L527-R578 HydrophobicContact CD2-CB 3.79Å; E574-R578 VanDerWaalsContact O-CG 3.32Å; E574-R578 WeakPolarHBondContact O-CG 3.39Å; E574-R578 PolarHBondContact O-N 3.46Å; I575-R578 WeakPolarHBondContact O-CB 3.22Å; I575-R578 PolarHBondContact O-N 2.54Å; S576-R578 PolarHBondContact O-N 3.31Å; R578-K581 PolarHBondContact O-N 3.16Å; R578-R582 PolarHBondContact O-N 3.23Å; R578-R582 VanDerWaalsContact O-N 3.13Å
579	I	92.7	Very high	88.3	Confident	47 Å²	47	95.4 Å²	95.4	24%	0.241	47%	0.466	C	S	.	.	H	α-helix	trans	-59.9	-50.2	174.6	-65.7	169.9	0	0	0	109.9	L527 F529 I575 S576 K581 R582 K583	L527-I579 HydrophobicContact CB-CG1 4.22Å; L527-I579 HydrophobicContact CD2-CG1 4.01Å; L527-I579 HydrophobicContact CG-CG1 4.49Å; F529-I579 HydrophobicContact CE2-CD1 4.03Å; F529-I579 HydrophobicContact CZ-CD1 4.03Å; I575-I579 HydrophobicContact CG2-CD1 4.1Å; I575-I579 WeakPolarHBondContact O-CG1 3.49Å; I575-I579 PolarHBondContact O-N 3.17Å; S576-I579 PolarHBondContact O-N 3.45Å; I579-K581 PolarHBondContact O-N 2.96Å; I579-R582 PolarHBondContact O-N 3.34Å; I579-R582 VanDerWaalsContact O-N 3.15Å; I579-K583 PolarHBondContact O-N 3.46Å; I579-K583 VanDerWaalsContact O-N 3.13Å
580	R	92.5	Very high	88.5	Confident	172 Å²	172	100.4 Å²	100.4	65%	0.649	49%	0.49	S	S	*	.	H	α-helix	trans	-59.6	-44.2	178.8	-173.3	175	66.1	155.5	0.1	112.4	S576 R582 K583 N584	S576-R580 PolarHBondContact O-N 2.87Å; R580-R582 VanDerWaalsContact C-N 3.27Å; R580-R582 PolarHBondContact O-N 3.17Å; R580-K583 PolarHBondContact O-N 3.49Å; R580-N584 PolarHBondContact O-N 2.8Å; R580-N584 PolarHBondContact O-OD1 3.26Å
581	K	92	Very high	88.5	Confident	154 Å²	154	106.1 Å²	106.1	67%	0.67	52%	0.517	S	S	*	.	H	α-helix	trans	-62.5	-30.2	177.2	-77.7	-179.6	179.4	-179.9	0	113.4	G577 R578 I579 K585	G577-K581 WeakPolarHBondContact O-CG 3.5Å; G577-K581 PolarHBondContact O-N 3.5Å; R578-K581 PolarHBondContact O-N 3.16Å; I579-K581 PolarHBondContact O-N 2.96Å; K581-K585 WeakPolarHBondContact O-CG 3.4Å
582	R	90.7	Very high	88.5	Confident	143 Å²	143	109.3 Å²	109.3	54%	0.54	53%	0.525	S	S	.	.	H	α-helix	trans	-73.5	-46.5	175.2	-76.6	-169.8	176.6	-172.9	-4.2	111.6	R578 I579 R580 N584 K585 E586	R578-R582 PolarHBondContact O-N 3.23Å; R578-R582 VanDerWaalsContact O-N 3.13Å; I579-R582 PolarHBondContact O-N 3.34Å; I579-R582 VanDerWaalsContact O-N 3.15Å; R580-R582 VanDerWaalsContact C-N 3.27Å; R580-R582 PolarHBondContact O-N 3.17Å; R582-N584 VanDerWaalsContact C-N 3.29Å; R582-N584 PolarHBondContact O-N 3.43Å; R582-K585 PolarHBondContact O-N 3.01Å; R582-E586 PolarHBondContact O-N 3.48Å
583	K	90.3	Very high	88.5	Confident	130 Å²	130	112.5 Å²	112.5	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-56.7	-42.2	175.4	-68.4	-173.5	174.9	-171.1	0	112.3	I579 R580 K585 E586 N587	I579-K583 PolarHBondContact O-N 3.46Å; I579-K583 VanDerWaalsContact O-N 3.13Å; R580-K583 PolarHBondContact O-N 3.49Å; K583-K585 PolarHBondContact O-N 3.31Å; K583-E586 PolarHBondContact O-N 2.8Å; K583-N587 PolarHBondContact O-N 2.93Å
584	N	89.1	Confident	88.6	Confident	111 Å²	111	112.2 Å²	112.2	59%	0.594	52%	0.523	S	S	*	.	H	α-helix	trans	-71.6	-9	177.4	-69.9	13.4	0	0	0	114.8	R580 R582	R580-N584 PolarHBondContact O-N 2.8Å; R580-N584 PolarHBondContact O-OD1 3.26Å; R582-N584 VanDerWaalsContact C-N 3.29Å; R582-N584 PolarHBondContact O-N 3.43Å
585	K	86.2	Confident	88.7	Confident	182 Å²	182	112 Å²	112	79%	0.791	52%	0.522	S	S	*	.	H	α-helix	trans	-97.8	-19.6	173.2	-80.6	-173.1	174.7	-165.4	0	112.6	K581 R582 K583	K581-K585 WeakPolarHBondContact O-CG 3.4Å; R582-K585 PolarHBondContact O-N 3.01Å; K583-K585 PolarHBondContact O-N 3.31Å
586	E	80.9	Confident	88.4	Confident	156 Å²	156	121.3 Å²	121.3	73%	0.729	57%	0.565	S	S	*	*	H	α-helix	trans	-87.3	-27.8	178.3	-72.2	168.7	-177.6	0	0	111.5	R582 K583	R582-E586 PolarHBondContact O-N 3.48Å; K583-E586 PolarHBondContact O-N 2.8Å
587	N	69.9	Low	88	Confident	184 Å²	184	127.2 Å²	127.2	98%	0.984	58%	0.58	S	S	*	*			trans	-83.5	0	161.6	-62	-11.4	0	0	0	110.2	K583	K583-N587 PolarHBondContact O-N 2.93Å

Retrieved 587 of 587 residues in 1051.5 ms (Link to these results)

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