A0A5K4F3I0_SCHMA Loading...

alkaline phosphatase

AlphaFold DB (D7R925), UniProt , Accession A0A5K4F3I0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 536 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40.3	Very low	57.6	Low	200 Å²	200	112.7 Å²	112.7	99%	0.985	64%	0.64	S	S	*	*				0	-15.3	0	-76.9	-165	163	0	0	114.5	T4 V5	M1-T4 PolarHBondContact O-OG1 2.94Å; M1-V5 WeakPolarHBondContact O-CG2 3.3Å
2	L	46.4	Very low	59.2	Low	141 Å²	141	111 Å²	111	74%	0.738	64%	0.636	S	S	*	*	H	α-helix	trans	-63.1	-36.7	-179.7	-98.3	83.8	0	0	0	116.7	T4	L2-T4 VanDerWaalsContact C-N 3.35Å; L2-T4 PolarHBondContact O-N 2.65Å
3	P	50	Low	60.7	Low	108 Å²	108	109.3 Å²	109.3	70%	0.701	62%	0.623	S	S	*	*	H	α-helix	trans	-69.8	-30.3	-174.4	-19.7	31.4	0	0	0	113.8
4	T	52.8	Low	62.1	Low	95 Å²	95	106.9 Å²	106.9	58%	0.583	61%	0.606	S	S	*	*	H	α-helix	trans	-84.8	-22.1	-176.9	40.9	0	0	0	0	113.7	M1 L2 S7	M1-T4 PolarHBondContact O-OG1 2.94Å; L2-T4 VanDerWaalsContact C-N 3.35Å; L2-T4 PolarHBondContact O-N 2.65Å; T4-S7 PolarHBondContact O-OG 3Å
5	V	55.5	Low	63.4	Low	95 Å²	95	109.5 Å²	109.5	58%	0.576	61%	0.609	S	S	*	*	H	α-helix	trans	-76.6	-27.4	177.8	177.7	0	0	0	0	111.6	M1	M1-V5 WeakPolarHBondContact O-CG2 3.3Å
6	L	54.5	Low	64.4	Low	107 Å²	107	111.3 Å²	111.3	56%	0.56	61%	0.609	S	S	*	*	H	α-helix	trans	-80.1	-21.3	-179.1	-79.7	157.1	0	0	0	114	L14	L6-L14 HydrophobicContact CD2-CD2 4.2Å
7	S	60.6	Low	65.4	Low	99 Å²	99	109.4 Å²	109.4	69%	0.692	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-17.7	179.9	72.1	0	0	0	0	114.2	T4	T4-S7 PolarHBondContact O-OG 3Å
8	T	63.5	Low	66.2	Low	114 Å²	114	106.3 Å²	106.3	70%	0.699	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-6.8	-179.1	56.4	0	0	0	0	113.6	S10	T8-S10 PolarHBondContact O-N 3.27Å
9	A	60.3	Low	66.9	Low	23 Å²	23	103.4 Å²	103.4	19%	0.19	57%	0.574	C	S	.	*	S	Bend	trans	-67.3	124.1	174.8	0	0	0	0	0	110.3	L13 L14	A9-L13 HydrophobicContact CB-CD2 4.09Å; A9-L14 HydrophobicContact CB-CD1 4.28Å; A9-L14 HydrophobicContact CB-CG 4.17Å
10	S	71.9	Confident	67.3	Low	71 Å²	71	101.9 Å²	101.9	50%	0.497	56%	0.564	S	S	.	*			trans	-62.1	145.7	175.8	65.7	0	0	0	0	110.3	T8 P12 L13 L14	T8-S10 PolarHBondContact O-N 3.27Å; S10-P12 VanDerWaalsContact O-N 3.08Å; S10-L13 WeakPolarHBondContact O-CA 3.27Å; S10-L13 WeakPolarHBondContact O-CB 3.46Å; S10-L13 PolarHBondContact O-N 3.01Å; S10-L14 PolarHBondContact O-N 3.21Å
11	K	77.5	Confident	67.6	Low	187 Å²	187	102.6 Å²	102.6	81%	0.813	57%	0.566	S	S	*	*	H	α-helix	trans	-45.4	-39.3	176.5	-75.3	-178.6	178.4	178.9	0	113.9	L13 F15	K11-L13 PolarHBondContact O-N 3.33Å; K11-F15 WeakPolarHBondContact O-CB 3.29Å; K11-F15 PolarHBondContact O-N 3.33Å
12	P	77.3	Confident	69	Low	92 Å²	92	96.7 Å²	96.7	60%	0.597	54%	0.544	S	S	*	.	H	α-helix	trans	-62.2	-38.4	174.6	-22.4	33.2	0	0	0	113.8	S10 F15 F16	S10-P12 VanDerWaalsContact O-N 3.08Å; P12-F15 PolarHBondContact O-N 2.94Å; P12-F16 WeakPolarHBondContact O-CB 3.29Å; P12-F16 PolarHBondContact O-N 3.47Å
13	L	78.4	Confident	70	Confident	89 Å²	89	96.5 Å²	96.5	47%	0.466	54%	0.544	S	S	.	.	H	α-helix	trans	-69.9	-41	-179.8	-173.4	66.2	0	0	0	111.6	A9 S10 K11 F15 F16 I17	A9-L13 HydrophobicContact CB-CD2 4.09Å; S10-L13 WeakPolarHBondContact O-CA 3.27Å; S10-L13 WeakPolarHBondContact O-CB 3.46Å; S10-L13 PolarHBondContact O-N 3.01Å; K11-L13 PolarHBondContact O-N 3.33Å; L13-F15 VanDerWaalsContact C-N 3.33Å; L13-F16 PolarHBondContact O-N 3.27Å; L13-I17 HydrophobicContact CG-CD1 4.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.21Å; L13-I17 PolarHBondContact O-N 2.85Å
14	L	80.9	Confident	70.5	Confident	75 Å²	75	99.3 Å²	99.3	39%	0.393	54%	0.541	S	S	.	.	H	α-helix	trans	-61.8	-41.7	172.3	-85.7	155.7	0	0	0	111.6	L6 A9 S10 F16 I17 A18	L6-L14 HydrophobicContact CD2-CD2 4.2Å; A9-L14 HydrophobicContact CB-CD1 4.28Å; A9-L14 HydrophobicContact CB-CG 4.17Å; S10-L14 PolarHBondContact O-N 3.21Å; L14-F16 VanDerWaalsContact C-N 3.35Å; L14-I17 PolarHBondContact O-N 3.02Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 3.39Å
15	F	80.7	Confident	70.7	Confident	147 Å²	147	102.9 Å²	102.9	65%	0.645	55%	0.549	S	S	*	.	H	α-helix	trans	-63.3	-41.4	173.8	-167.5	-97	0	0	0	111.4	K11 P12 L13 A18 V19	K11-F15 WeakPolarHBondContact O-CB 3.29Å; K11-F15 PolarHBondContact O-N 3.33Å; P12-F15 PolarHBondContact O-N 2.94Å; L13-F15 VanDerWaalsContact C-N 3.33Å; F15-A18 PolarHBondContact O-N 2.89Å; F15-V19 HydrophobicContact CD1-CG2 3.91Å; F15-V19 HydrophobicContact CE1-CG2 3.67Å; F15-V19 HydrophobicContact CZ-CG2 4.18Å; F15-V19 WeakPolarHBondContact O-CB 3.14Å; F15-V19 VanDerWaalsContact O-CG2 3.25Å; F15-V19 WeakPolarHBondContact O-CG2 3.38Å; F15-V19 PolarHBondContact O-N 3.5Å
16	F	80	Confident	70.7	Confident	137 Å²	137	105 Å²	105	60%	0.601	56%	0.555	S	S	*	*	H	α-helix	trans	-64.9	-41.4	177.5	-146.1	-94.5	0	0	0	112.2	P12 L13 L14 V19 I20	P12-F16 WeakPolarHBondContact O-CB 3.29Å; P12-F16 PolarHBondContact O-N 3.47Å; L13-F16 PolarHBondContact O-N 3.27Å; L14-F16 VanDerWaalsContact C-N 3.35Å; F16-V19 PolarHBondContact O-N 2.96Å; F16-I20 HydrophobicContact CD1-CD1 3.61Å; F16-I20 HydrophobicContact CD1-CG1 4.18Å; F16-I20 HydrophobicContact CE1-CD1 3.85Å; F16-I20 HydrophobicContact CE1-CG1 4.36Å; F16-I20 WeakPolarHBondContact O-CB 3.09Å; F16-I20 VanDerWaalsContact O-CG1 3.27Å; F16-I20 WeakPolarHBondContact O-CG1 3.5Å; F16-I20 PolarHBondContact O-N 2.85Å
17	I	80.7	Confident	70.7	Confident	79 Å²	79	107.8 Å²	107.8	41%	0.405	57%	0.566	S	S	.	*	H	α-helix	trans	-64	-43.2	173.6	-67.9	167.4	0	0	0	110.7	L13 L14 V19 I20 L21	L13-I17 HydrophobicContact CG-CD1 4.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.21Å; L13-I17 PolarHBondContact O-N 2.85Å; L14-I17 PolarHBondContact O-N 3.02Å; I17-V19 VanDerWaalsContact C-N 3.34Å; I17-V19 PolarHBondContact O-N 2.83Å; I17-I20 PolarHBondContact O-N 3.38Å; I17-L21 HydrophobicContact CG2-CD1 3.77Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.44Å
18	A	79.6	Confident	70.7	Confident	54 Å²	54	108.1 Å²	108.1	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-65.2	-36.3	177	0	0	0	0	0	112.5	L14 F15 S22	L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 3.39Å; F15-A18 PolarHBondContact O-N 2.89Å; A18-S22 VanDerWaalsContact O-CB 3.3Å; A18-S22 WeakPolarHBondContact O-CB 3.16Å; A18-S22 PolarHBondContact O-N 3.48Å; A18-S22 PolarHBondContact O-OG 3.4Å
19	V	79.6	Confident	70.8	Confident	52 Å²	52	112.5 Å²	112.5	32%	0.315	58%	0.576	S	S	.	*	H	α-helix	trans	-68.8	-43.3	173.1	170.7	0	0	0	0	110.8	F15 F16 I17 L21 S22 L23	F15-V19 HydrophobicContact CD1-CG2 3.91Å; F15-V19 HydrophobicContact CE1-CG2 3.67Å; F15-V19 HydrophobicContact CZ-CG2 4.18Å; F15-V19 WeakPolarHBondContact O-CB 3.14Å; F15-V19 VanDerWaalsContact O-CG2 3.25Å; F15-V19 WeakPolarHBondContact O-CG2 3.38Å; F15-V19 PolarHBondContact O-N 3.5Å; F16-V19 PolarHBondContact O-N 2.96Å; I17-V19 VanDerWaalsContact C-N 3.34Å; I17-V19 PolarHBondContact O-N 2.83Å; V19-L21 PolarHBondContact O-N 2.83Å; V19-S22 WeakPolarHBondContact CA-OG 3.4Å; V19-S22 PolarHBondContact O-N 2.78Å; V19-S22 PolarHBondContact O-OG 3.29Å; V19-S22 VanDerWaalsContact O-OG 3.06Å; V19-L23 HydrophobicContact CG1-CD1 3.77Å; V19-L23 HydrophobicContact CG1-CG 4.26Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 WeakPolarHBondContact O-CG 3.27Å; V19-L23 PolarHBondContact O-N 2.85Å
20	I	76.6	Confident	71	Confident	72 Å²	72	116.4 Å²	116.4	37%	0.369	60%	0.602	S	S	.	*	H	α-helix	trans	-60.1	-48.3	173.6	-71.2	170.4	0	0	0	109.8	F16 I17 S22 L23 Y24	F16-I20 HydrophobicContact CD1-CD1 3.61Å; F16-I20 HydrophobicContact CD1-CG1 4.18Å; F16-I20 HydrophobicContact CE1-CD1 3.85Å; F16-I20 HydrophobicContact CE1-CG1 4.36Å; F16-I20 WeakPolarHBondContact O-CB 3.09Å; F16-I20 VanDerWaalsContact O-CG1 3.27Å; F16-I20 WeakPolarHBondContact O-CG1 3.5Å; F16-I20 PolarHBondContact O-N 2.85Å; I17-I20 PolarHBondContact O-N 3.38Å; I20-S22 VanDerWaalsContact C-N 3.3Å; I20-S22 PolarHBondContact O-N 3.43Å; I20-L23 PolarHBondContact O-N 2.81Å; I20-Y24 HydrophobicContact CG2-CD2 3.67Å; I20-Y24 HydrophobicContact CG2-CE2 3.74Å; I20-Y24 VanDerWaalsContact O-CD2 3.24Å; I20-Y24 WeakPolarHBondContact O-CD2 3.17Å; I20-Y24 PolarHBondContact O-N 3.36Å
21	L	72.8	Confident	70.8	Confident	117 Å²	117	117.1 Å²	117.1	61%	0.613	61%	0.607	S	S	*	*	H	α-helix	trans	-65.3	-28.6	178	-72.6	170	0	0	0	113.3	I17 V19 Y24	I17-L21 HydrophobicContact CG2-CD1 3.77Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.44Å; V19-L21 PolarHBondContact O-N 2.83Å; L21-Y24 CarbonylContact O-C 3.51Å; L21-Y24 VanDerWaalsContact O-C 3.31Å
22	S	70	Confident	70.7	Confident	76 Å²	76	116.8 Å²	116.8	53%	0.531	61%	0.613	S	S	.	*	H	α-helix	trans	-82	-26.6	174.8	71.9	0	0	0	0	113.2	A18 V19 I20	A18-S22 VanDerWaalsContact O-CB 3.3Å; A18-S22 WeakPolarHBondContact O-CB 3.16Å; A18-S22 PolarHBondContact O-N 3.48Å; A18-S22 PolarHBondContact O-OG 3.4Å; V19-S22 WeakPolarHBondContact CA-OG 3.4Å; V19-S22 PolarHBondContact O-N 2.78Å; V19-S22 PolarHBondContact O-OG 3.29Å; V19-S22 VanDerWaalsContact O-OG 3.06Å; I20-S22 VanDerWaalsContact C-N 3.3Å; I20-S22 PolarHBondContact O-N 3.43Å
23	L	66.3	Low	71.1	Confident	138 Å²	138	116.7 Å²	116.7	72%	0.723	61%	0.607	S	S	*	*	H	α-helix	trans	-74.7	-35	169.5	-70.6	169.6	0	0	0	111.6	V19 I20 K25	V19-L23 HydrophobicContact CG1-CD1 3.77Å; V19-L23 HydrophobicContact CG1-CG 4.26Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 WeakPolarHBondContact O-CG 3.27Å; V19-L23 PolarHBondContact O-N 2.85Å; I20-L23 PolarHBondContact O-N 2.81Å; L23-K25 PolarHBondContact O-N 2.78Å
24	Y	62	Low	71.7	Confident	167 Å²	167	117.1 Å²	117.1	66%	0.655	61%	0.61	S	S	*	*	S	Bend	trans	-74.2	66.8	158.1	-76.1	-82	0	0	0	108.4	I20 L21 I26	I20-Y24 HydrophobicContact CG2-CD2 3.67Å; I20-Y24 HydrophobicContact CG2-CE2 3.74Å; I20-Y24 VanDerWaalsContact O-CD2 3.24Å; I20-Y24 WeakPolarHBondContact O-CD2 3.17Å; I20-Y24 PolarHBondContact O-N 3.36Å; L21-Y24 CarbonylContact O-C 3.51Å; L21-Y24 VanDerWaalsContact O-C 3.31Å; Y24-I26 PolarHBondContact O-N 3.46Å
25	K	55.4	Low	72.3	Confident	169 Å²	169	114.7 Å²	114.7	74%	0.735	60%	0.598	S	S	*	*			trans	-54.6	95.2	146.5	-83.2	-175.9	177.8	-180	0	104.8	L23 E27	L23-K25 PolarHBondContact O-N 2.78Å; K25-E27 PolarHBondContact O-N 2.83Å
26	I	56.9	Low	72.8	Confident	139 Å²	139	109 Å²	109	71%	0.713	58%	0.578	S	S	*	*			trans	-60.2	92.3	154.9	-59.4	172.6	0	0	0	101.5	Y24 C28	Y24-I26 PolarHBondContact O-N 3.46Å; I26-C28 PolarHBondContact O-N 2.9Å
27	E	54.9	Low	73.4	Confident	167 Å²	167	105.3 Å²	105.3	78%	0.78	57%	0.565	S	S	*	*			trans	-60.7	86.8	160.5	-78.2	-178.7	167.4	0	0	104	K25 K29	K25-E27 PolarHBondContact O-N 2.83Å; E27-K29 VanDerWaalsContact C-N 3.27Å; E27-K29 PolarHBondContact O-N 3.21Å
28	C	59	Low	74	Confident	106 Å²	106	103.4 Å²	103.4	72%	0.716	56%	0.558	S	S	*	*			trans	-55.5	106.8	159.6	-82.5	0	0	0	0	103.7	I26 S30	I26-C28 PolarHBondContact O-N 2.9Å; C28-S30 PolarHBondContact O-N 2.93Å
29	K	65.6	Low	74.7	Confident	206 Å²	206	105.8 Å²	105.8	90%	0.896	56%	0.56	S	S	*	*			trans	-49	111.3	170.6	-72.9	-178.5	176.6	180	0	106.6	E27 S31	E27-K29 VanDerWaalsContact C-N 3.27Å; E27-K29 PolarHBondContact O-N 3.21Å; K29-S31 PolarHBondContact O-N 3.49Å
30	S	64.4	Low	75.4	Confident	104 Å²	104	104.7 Å²	104.7	73%	0.727	55%	0.553	S	S	*	*			trans	-75	125.6	171.7	57.1	0	0	0	0	107.5	C28 L32	C28-S30 PolarHBondContact O-N 2.93Å; S30-L32 PolarHBondContact O-N 3.5Å
31	S	67.5	Low	76.3	Confident	87 Å²	87	101.6 Å²	101.6	61%	0.608	54%	0.537	S	S	*	.			trans	-65.1	134.6	168.1	-175.9	0	0	0	0	109	K29 L33	K29-S31 PolarHBondContact O-N 3.49Å; S31-L33 WeakPolarHBondContact CB-O 3.19Å; S31-L33 PolarHBondContact O-N 2.92Å; S31-L33 PolarHBondContact OG-N 3.21Å; S31-L33 PolarHBondContact OG-O 3.25Å
32	L	76.7	Confident	77.5	Confident	179 Å²	179	98.4 Å²	98.4	94%	0.937	52%	0.518	S	S	*	.	S	Bend	trans	-68.7	-20.4	171	-69.9	170.3	0	0	0	112	S30	S30-L32 PolarHBondContact O-N 3.5Å
33	L	84.8	Confident	78.7	Confident	90 Å²	90	100.8 Å²	100.8	47%	0.471	52%	0.519	S	S	.	.	S	Bend	trans	-122.6	131.7	-177	-67.4	167.6	0	0	0	110	S31 V35 T40	S31-L33 WeakPolarHBondContact CB-O 3.19Å; S31-L33 PolarHBondContact O-N 2.92Å; S31-L33 PolarHBondContact OG-N 3.21Å; S31-L33 PolarHBondContact OG-O 3.25Å; L33-V35 HydrophobicContact CB-CG2 4.22Å; L33-V35 PolarHBondContact O-N 3.49Å; L33-T40 HydrophobicContact CB-CG2 4.5Å; L33-T40 HydrophobicContact CD2-CG2 4.08Å
34	N	90.9	Very high	80.1	Confident	98 Å²	98	96.7 Å²	96.7	52%	0.524	50%	0.502	S	S	.	.			trans	-79.5	79.4	168.2	-170	2.7	0	0	0	109.3	A36 D37 T40	N34-A36 PolarHBondContact O-N 2.78Å; N34-A36 VanDerWaalsContact O-N 3.14Å; N34-D37 HydrophobicContact CB-CB 3.98Å; N34-D37 VanDerWaalsContact CG-CB 3.45Å; N34-D37 VanDerWaalsContact ND2-CB 3.27Å; N34-D37 WeakPolarHBondContact ND2-CB 3.31Å; N34-D37 PolarHBondContact O-N 3.42Å; N34-T40 WeakPolarHBondContact O-CB 3.22Å; N34-T40 PolarHBondContact O-OG1 3.09Å
35	V	93.2	Very high	81.8	Confident	24 Å²	24	88.8 Å²	88.8	15%	0.145	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.4	-172.8	172.2	0	0	0	0	112.7	L33 D37 W41 F114 K135	L33-V35 HydrophobicContact CB-CG2 4.22Å; L33-V35 PolarHBondContact O-N 3.49Å; V35-D37 VanDerWaalsContact C-N 3.32Å; V35-W41 HydrophobicContact CB-CZ2 4.23Å; V35-W41 HydrophobicContact CG1-CZ2 3.97Å; V35-W41 HydrophobicContact CG2-CZ2 4.32Å; V35-W41 PolarHBondContact O-NE1 2.89Å; V35-F114 HydrophobicContact CG1-CE2 3.88Å; V35-F114 HydrophobicContact CG2-CE2 4.21Å; V35-K135 HydrophobicContact CG1-CB 4.19Å; V35-K135 HydrophobicContact CG1-CG 4.03Å
36	A	92.1	Very high	83.8	Confident	28 Å²	28	82.7 Å²	82.7	23%	0.231	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.7	-179.1	0	0	0	0	0	114	N34 P38 G145	N34-A36 PolarHBondContact O-N 2.78Å; N34-A36 VanDerWaalsContact O-N 3.14Å; A36-P38 WeakPolarHBondContact O-CD 3.29Å; A36-G145 WeakPolarHBondContact CB-O 3.34Å
37	D	92.3	Very high	85.7	Confident	59 Å²	59	80.8 Å²	80.8	32%	0.316	43%	0.434	S	S	.	.			trans	-91.9	117.6	-173.7	174.8	15.6	0	0	0	111.6	N34 V35 E39 T40	N34-D37 HydrophobicContact CB-CB 3.98Å; N34-D37 VanDerWaalsContact CG-CB 3.45Å; N34-D37 VanDerWaalsContact ND2-CB 3.27Å; N34-D37 WeakPolarHBondContact ND2-CB 3.31Å; N34-D37 PolarHBondContact O-N 3.42Å; V35-D37 VanDerWaalsContact C-N 3.32Å; D37-E39 PolarHBondContact O-N 3.45Å; D37-E39 VanDerWaalsContact O-N 3.16Å; D37-E39 PolarHBondContact OD1-N 3.07Å; D37-T40 WeakPolarHBondContact O-CB 3.49Å; D37-T40 PolarHBondContact O-N 2.96Å; D37-T40 VanDerWaalsContact O-N 3.09Å
38	P	93.8	Very high	87.6	Confident	40 Å²	40	75.3 Å²	75.3	26%	0.26	41%	0.407	S	S	.	.	H	α-helix	trans	-50.8	-35.7	175.3	-30.7	38.5	0	0	0	114.7	A36 T40 W41 K42 V134 T144	A36-P38 WeakPolarHBondContact O-CD 3.29Å; P38-T40 VanDerWaalsContact C-N 3.25Å; P38-T40 PolarHBondContact O-N 3.19Å; P38-W41 PolarHBondContact O-N 2.99Å; P38-K42 PolarHBondContact O-N 2.8Å; P38-K42 VanDerWaalsContact O-N 3.15Å; P38-V134 HydrophobicContact CB-CG1 3.62Å; P38-V134 HydrophobicContact CG-CG1 3.96Å; P38-T144 HydrophobicContact CG-CG2 4.2Å
39	E	94	Very high	89.4	Confident	104 Å²	104	70.5 Å²	70.5	49%	0.486	37%	0.373	S	S	.	.	H	α-helix	trans	-68.5	-27.8	-176.6	-169.3	58.8	-149.7	0	0	111.9	D37 W41 K42 K43	D37-E39 PolarHBondContact O-N 3.45Å; D37-E39 VanDerWaalsContact O-N 3.16Å; D37-E39 PolarHBondContact OD1-N 3.07Å; E39-W41 VanDerWaalsContact C-N 3.3Å; E39-W41 PolarHBondContact O-N 3.19Å; E39-K42 PolarHBondContact O-N 3.12Å; E39-K43 WeakPolarHBondContact O-CB 3.46Å; E39-K43 PolarHBondContact O-N 3.15Å
40	T	94.9	Very high	90.8	Very high	29 Å²	29	64.6 Å²	64.6	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-43.3	175.1	-67.6	0	0	0	0	111	L33 N34 D37 P38 S44	L33-T40 HydrophobicContact CB-CG2 4.5Å; L33-T40 HydrophobicContact CD2-CG2 4.08Å; N34-T40 WeakPolarHBondContact O-CB 3.22Å; N34-T40 PolarHBondContact O-OG1 3.09Å; D37-T40 WeakPolarHBondContact O-CB 3.49Å; D37-T40 PolarHBondContact O-N 2.96Å; D37-T40 VanDerWaalsContact O-N 3.09Å; P38-T40 VanDerWaalsContact C-N 3.25Å; P38-T40 PolarHBondContact O-N 3.19Å; T40-S44 PolarHBondContact O-N 2.87Å; T40-S44 VanDerWaalsContact O-N 3.17Å
41	W	95.9	Very high	92.1	Very high	7 Å²	7	66.9 Å²	66.9	3%	0.027	35%	0.349	C	S	.	.	H	α-helix	trans	-76	-40.8	-177.8	-57.6	108.4	0	0	0	112.1	V35 P38 E39 K43 S44 A45 F114 G133 K135 D481 T483	V35-W41 HydrophobicContact CB-CZ2 4.23Å; V35-W41 HydrophobicContact CG1-CZ2 3.97Å; V35-W41 HydrophobicContact CG2-CZ2 4.32Å; V35-W41 PolarHBondContact O-NE1 2.89Å; P38-W41 PolarHBondContact O-N 2.99Å; E39-W41 VanDerWaalsContact C-N 3.3Å; E39-W41 PolarHBondContact O-N 3.19Å; W41-K43 PolarHBondContact O-N 3Å; W41-S44 PolarHBondContact O-N 3.44Å; W41-A45 PolarHBondContact O-N 3.05Å; W41-F114 HydrophobicContact CH2-CE2 4.39Å; W41-F114 AromaticContact CH2-CZ 3.95Å; W41-F114 HydrophobicContact CH2-CZ 3.95Å; W41-G133 WeakPolarHBondContact CB-O 3.2Å; W41-K135 HydrophobicContact CD2-CG 4.38Å; W41-K135 VanDerWaalsContact CE2-CG 3.46Å; W41-K135 HydrophobicContact CH2-CG 4.19Å; W41-K135 HydrophobicContact CZ2-CD 4.19Å; W41-K135 HydrophobicContact CZ2-CG 3.36Å; W41-D481 HydrophobicContact CE3-CB 4.36Å; W41-D481 HydrophobicContact CZ3-CB 3.92Å; W41-T483 HydrophobicContact CB-CG2 4.37Å; W41-T483 HydrophobicContact CD2-CG2 3.88Å; W41-T483 HydrophobicContact CE3-CG2 4.14Å; W41-T483 HydrophobicContact CG-CG2 3.96Å
42	K	96.6	Very high	93.4	Very high	49 Å²	49	63.4 Å²	63.4	21%	0.213	32%	0.323	C	S	.	.	H	α-helix	trans	-57	-48.8	172.4	-174.5	-172.8	169.6	-67.9	0	111.4	P38 E39 S44 A45 D46 L497	P38-K42 PolarHBondContact O-N 2.8Å; P38-K42 VanDerWaalsContact O-N 3.15Å; E39-K42 PolarHBondContact O-N 3.12Å; K42-S44 VanDerWaalsContact C-N 3.33Å; K42-S44 PolarHBondContact O-N 3.18Å; K42-A45 WeakPolarHBondContact O-CB 3.47Å; K42-A45 PolarHBondContact O-N 3.33Å; K42-A45 VanDerWaalsContact O-N 3.15Å; K42-D46 IonicContact NZ-OD2 3.73Å; K42-D46 PolarHBondContact NZ-OD2 3.13Å; K42-D46 VanDerWaalsContact O-CG 3.22Å; K42-D46 PolarHBondContact O-N 3.46Å; K42-L497 HydrophobicContact CD-CD1 4.26Å; K42-L497 HydrophobicContact CG-CD1 4.5Å
43	K	96.6	Very high	94.1	Very high	126 Å²	126	57.4 Å²	57.4	55%	0.548	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-43.8	177.5	-177.7	-177.9	174.9	-174.8	0	112	E39 W41 A45 D46 E47	E39-K43 WeakPolarHBondContact O-CB 3.46Å; E39-K43 PolarHBondContact O-N 3.15Å; W41-K43 PolarHBondContact O-N 3Å; K43-A45 VanDerWaalsContact C-N 3.29Å; K43-A45 PolarHBondContact O-N 3.27Å; K43-D46 PolarHBondContact O-N 2.65Å; K43-E47 WeakPolarHBondContact CE-OE1 2.99Å; K43-E47 WeakPolarHBondContact O-CG 3.24Å; K43-E47 PolarHBondContact O-N 2.67Å
44	S	95.7	Very high	94.4	Very high	53 Å²	53	61.6 Å²	61.6	37%	0.371	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-37.8	177.3	-171.3	0	0	0	0	112.2	T40 W41 K42 R48	T40-S44 PolarHBondContact O-N 2.87Å; T40-S44 VanDerWaalsContact O-N 3.17Å; W41-S44 PolarHBondContact O-N 3.44Å; K42-S44 VanDerWaalsContact C-N 3.33Å; K42-S44 PolarHBondContact O-N 3.18Å; S44-R48 PolarHBondContact O-N 3.44Å
45	A	97.8	Very high	94.3	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-45.2	174.4	0	0	0	0	0	112.2	W41 K42 K43 E47 R48 F49 F484 H487	W41-A45 PolarHBondContact O-N 3.05Å; K42-A45 WeakPolarHBondContact O-CB 3.47Å; K42-A45 PolarHBondContact O-N 3.33Å; K42-A45 VanDerWaalsContact O-N 3.15Å; K43-A45 VanDerWaalsContact C-N 3.29Å; K43-A45 PolarHBondContact O-N 3.27Å; A45-E47 VanDerWaalsContact C-N 3.29Å; A45-E47 PolarHBondContact O-N 3.42Å; A45-R48 WeakPolarHBondContact O-CA 3.3Å; A45-R48 WeakPolarHBondContact O-CB 3.34Å; A45-R48 PolarHBondContact O-N 3.23Å; A45-F49 HydrophobicContact CB-CE2 3.83Å; A45-F49 HydrophobicContact CB-CZ 4.19Å; A45-F49 VanDerWaalsContact O-CD2 3.26Å; A45-F49 WeakPolarHBondContact O-CD2 3.34Å; A45-F49 WeakPolarHBondContact O-CG 3.21Å; A45-F49 PolarHBondContact O-N 3.15Å; A45-F484 HydrophobicContact CB-CD2 3.76Å; A45-F484 HydrophobicContact CB-CE2 4.05Å; A45-H487 HydrophobicContact CB-CB 3.49Å; A45-H487 VanDerWaalsContact CB-CB 3.49Å
46	D	97.2	Very high	93.8	Very high	40 Å²	40	63.7 Å²	63.7	21%	0.214	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-38.4	179.2	-64.8	-9.6	0	0	0	111.5	K42 K43 R48 F49 N50 Y498	K42-D46 IonicContact NZ-OD2 3.73Å; K42-D46 PolarHBondContact NZ-OD2 3.13Å; K42-D46 VanDerWaalsContact O-CG 3.22Å; K42-D46 PolarHBondContact O-N 3.46Å; K43-D46 PolarHBondContact O-N 2.65Å; D46-R48 VanDerWaalsContact C-N 3.29Å; D46-R48 PolarHBondContact O-N 2.84Å; D46-F49 PolarHBondContact O-N 2.96Å; D46-N50 WeakPolarHBondContact O-CB 3.24Å; D46-N50 VanDerWaalsContact O-CG 3.32Å; D46-N50 PolarHBondContact O-N 3.16Å; D46-N50 PolarHBondContact O-ND2 2.9Å; D46-Y498 VanDerWaalsContact OD1-CE1 3.26Å; D46-Y498 WeakPolarHBondContact OD1-CE1 3.14Å; D46-Y498 PolarHBondContact OD1-OH 2.9Å; D46-Y498 VanDerWaalsContact OD1-OH 3.11Å
47	E	95.6	Very high	93.2	Very high	99 Å²	99	64.3 Å²	64.3	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-34.4	173.1	-73.3	176.4	-169.6	0	0	112.9	K43 A45 K51	K43-E47 WeakPolarHBondContact CE-OE1 2.99Å; K43-E47 WeakPolarHBondContact O-CG 3.24Å; K43-E47 PolarHBondContact O-N 2.67Å; A45-E47 VanDerWaalsContact C-N 3.29Å; A45-E47 PolarHBondContact O-N 3.42Å; E47-K51 WeakPolarHBondContact O-CG 3.33Å; E47-K51 PolarHBondContact O-N 3.3Å
48	R	95.6	Very high	92.8	Very high	53 Å²	53	62 Å²	62	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-72.9	-43.4	175	-76.3	-179.8	152.9	-82	-4.2	111.6	S44 A45 D46 N50 K51 F52 S478 S479 F484	S44-R48 PolarHBondContact O-N 3.44Å; A45-R48 WeakPolarHBondContact O-CA 3.3Å; A45-R48 WeakPolarHBondContact O-CB 3.34Å; A45-R48 PolarHBondContact O-N 3.23Å; D46-R48 VanDerWaalsContact C-N 3.29Å; D46-R48 PolarHBondContact O-N 2.84Å; R48-N50 VanDerWaalsContact C-N 3.35Å; R48-N50 PolarHBondContact O-N 2.88Å; R48-K51 PolarHBondContact O-N 3.06Å; R48-K51 VanDerWaalsContact O-N 3.13Å; R48-F52 PolarHBondContact O-N 2.66Å; R48-S478 PolarHBondContact NH1-OG 2.84Å; R48-S478 PolarHBondContact NH2-OG 3.37Å; R48-S479 PolarHBondContact NH2-O 2.79Å; R48-F484 HydrophobicContact CB-CD2 4.4Å; R48-F484 HydrophobicContact CB-CE2 3.57Å; R48-F484 HydrophobicContact CB-CZ 3.82Å; R48-F484 HydrophobicContact CG-CE2 4.19Å; R48-F484 HydrophobicContact CG-CZ 4.47Å
49	F	95.9	Very high	92	Very high	4 Å²	4	64 Å²	64	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-44.5	175.5	-58.5	-41.2	0	0	0	111.5	A45 D46 K51 F52 E53 L475 F484 H487 A488 Y491 Y498	A45-F49 HydrophobicContact CB-CE2 3.83Å; A45-F49 HydrophobicContact CB-CZ 4.19Å; A45-F49 VanDerWaalsContact O-CD2 3.26Å; A45-F49 WeakPolarHBondContact O-CD2 3.34Å; A45-F49 WeakPolarHBondContact O-CG 3.21Å; A45-F49 PolarHBondContact O-N 3.15Å; D46-F49 PolarHBondContact O-N 2.96Å; F49-K51 PolarHBondContact O-N 2.8Å; F49-K51 VanDerWaalsContact O-N 3.14Å; F49-F52 WeakPolarHBondContact O-CA 3.43Å; F49-F52 WeakPolarHBondContact O-CB 3.35Å; F49-F52 PolarHBondContact O-N 2.91Å; F49-E53 WeakPolarHBondContact O-CG 3.38Å; F49-E53 PolarHBondContact O-N 3.48Å; F49-L475 HydrophobicContact CD1-CD2 3.78Å; F49-L475 HydrophobicContact CE1-CD1 4.25Å; F49-L475 HydrophobicContact CE1-CD2 4.04Å; F49-F484 HydrophobicContact CD1-CE2 4.27Å; F49-F484 HydrophobicContact CD1-CZ 4.3Å; F49-F484 AromaticContact CE1-CE2 3.6Å; F49-F484 HydrophobicContact CE1-CE2 3.6Å; F49-F484 AromaticContact CE1-CZ 3.68Å; F49-F484 HydrophobicContact CE1-CZ 3.68Å; F49-F484 AromaticContact CZ-CE2 3.75Å; F49-F484 HydrophobicContact CZ-CE2 3.75Å; F49-F484 HydrophobicContact CZ-CZ 4.26Å; F49-H487 HydrophobicContact CE2-CB 4.3Å; F49-H487 HydrophobicContact CZ-CB 4.03Å; F49-A488 HydrophobicContact CE1-CB 4.33Å; F49-Y491 HydrophobicContact CB-CD2 4.28Å; F49-Y491 HydrophobicContact CB-CE2 3.87Å; F49-Y491 AromaticContact CD1-CD1 3.93Å; F49-Y491 HydrophobicContact CD1-CD1 3.93Å; F49-Y491 AromaticContact CD1-CD2 3.96Å; F49-Y491 HydrophobicContact CD1-CD2 3.96Å; F49-Y491 HydrophobicContact CD1-CE1 4.15Å; F49-Y491 HydrophobicContact CD1-CE2 4.17Å; F49-Y491 AromaticContact CD1-CG 3.84Å; F49-Y491 HydrophobicContact CD1-CG 3.84Å; F49-Y491 AromaticContact CD2-CD2 3.67Å; F49-Y491 HydrophobicContact CD2-CD2 3.67Å; F49-Y491 HydrophobicContact CD2-CE2 4.13Å; F49-Y491 HydrophobicContact CD2-CG 4.15Å; F49-Y491 AromaticContact CE1-CD1 3.98Å; F49-Y491 HydrophobicContact CE1-CD1 3.98Å; F49-Y491 HydrophobicContact CE1-CD2 4.25Å; F49-Y491 AromaticContact CE1-CG 3.77Å; F49-Y491 HydrophobicContact CE1-CG 3.77Å; F49-Y491 AromaticContact CE2-CD2 3.97Å; F49-Y491 HydrophobicContact CE2-CD2 3.97Å; F49-Y491 HydrophobicContact CE2-CG 4.08Å; F49-Y491 HydrophobicContact CG-CD1 4.48Å; F49-Y491 AromaticContact CG-CD2 3.69Å; F49-Y491 HydrophobicContact CG-CD2 3.69Å; F49-Y491 AromaticContact CG-CE2 3.8Å; F49-Y491 HydrophobicContact CG-CE2 3.8Å; F49-Y491 HydrophobicContact CG-CG 4.07Å; F49-Y491 HydrophobicContact CZ-CD2 4.26Å; F49-Y491 AromaticContact CZ-CG 3.91Å; F49-Y491 HydrophobicContact CZ-CG 3.91Å; F49-Y498 AromaticContact CD2-CE1 3.98Å; F49-Y498 HydrophobicContact CD2-CE1 3.98Å; F49-Y498 HydrophobicContact CE2-CD1 4.39Å; F49-Y498 AromaticContact CE2-CE1 3.66Å; F49-Y498 HydrophobicContact CE2-CE1 3.66Å; F49-Y498 HydrophobicContact CE2-CE2 4.24Å; F49-Y498 AromaticContact CE2-CZ 3.58Å
50	N	94.6	Very high	91.3	Very high	83 Å²	83	64.9 Å²	64.9	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-57.9	-30.5	175.5	-79.1	-55.7	0	0	0	114	D46 R48 K54	D46-N50 WeakPolarHBondContact O-CB 3.24Å; D46-N50 VanDerWaalsContact O-CG 3.32Å; D46-N50 PolarHBondContact O-N 3.16Å; D46-N50 PolarHBondContact O-ND2 2.9Å; R48-N50 VanDerWaalsContact C-N 3.35Å; R48-N50 PolarHBondContact O-N 2.88Å; N50-K54 WeakPolarHBondContact O-CD 3.38Å; N50-K54 WeakPolarHBondContact O-CE 3.33Å; N50-K54 WeakPolarHBondContact O-CG 3.46Å
51	K	93.5	Very high	90.6	Very high	152 Å²	152	65.9 Å²	65.9	66%	0.661	33%	0.326	S	S	*	.	H	α-helix	trans	-77.5	-42.4	173.5	-71.3	172.8	-176.3	173.7	0	111.2	E47 R48 F49 K54 S55	E47-K51 WeakPolarHBondContact O-CG 3.33Å; E47-K51 PolarHBondContact O-N 3.3Å; R48-K51 PolarHBondContact O-N 3.06Å; R48-K51 VanDerWaalsContact O-N 3.13Å; F49-K51 PolarHBondContact O-N 2.8Å; F49-K51 VanDerWaalsContact O-N 3.14Å; K51-K54 PolarHBondContact O-N 3.09Å; K51-S55 PolarHBondContact O-N 3.36Å
52	F	93.6	Very high	90.2	Very high	14 Å²	14	71.1 Å²	71.1	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-44.6	177.2	176.5	-120.9	0	0	0	111.9	R48 F49 K54 S55 Y58 L61 Y472 E474 L475 Y491	R48-F52 PolarHBondContact O-N 2.66Å; F49-F52 WeakPolarHBondContact O-CA 3.43Å; F49-F52 WeakPolarHBondContact O-CB 3.35Å; F49-F52 PolarHBondContact O-N 2.91Å; F52-K54 PolarHBondContact O-N 3.47Å; F52-K54 VanDerWaalsContact O-N 3.13Å; F52-S55 WeakPolarHBondContact O-CB 3.21Å; F52-S55 PolarHBondContact O-N 2.94Å; F52-S55 PolarHBondContact O-OG 2.02Å; F52-Y58 AromaticContact CD1-CD2 3.77Å; F52-Y58 HydrophobicContact CD1-CD2 3.77Å; F52-Y58 HydrophobicContact CD1-CE2 4.3Å; F52-Y58 AromaticContact CE1-CD2 3.44Å; F52-Y58 HydrophobicContact CE1-CD2 3.44Å; F52-Y58 VanDerWaalsContact CE1-CD2 3.44Å; F52-Y58 HydrophobicContact CE1-CE2 4.06Å; F52-Y58 HydrophobicContact CE1-CG 4.45Å; F52-Y58 AromaticContact CZ-CD2 3.95Å; F52-Y58 HydrophobicContact CZ-CD2 3.95Å; F52-Y58 VanDerWaalsContact O-CB 3.24Å; F52-Y58 WeakPolarHBondContact O-CB 3.14Å; F52-L61 HydrophobicContact CZ-CD1 4.42Å; F52-Y472 AromaticContact CE1-CD1 3.85Å; F52-Y472 HydrophobicContact CE1-CD1 3.85Å; F52-Y472 HydrophobicContact CE1-CD2 4.12Å; F52-Y472 HydrophobicContact CE1-CE1 4.01Å; F52-Y472 HydrophobicContact CE1-CE2 4.26Å; F52-Y472 AromaticContact CE1-CG 3.91Å; F52-Y472 HydrophobicContact CE1-CG 3.91Å; F52-Y472 AromaticContact CZ-CD1 3.65Å; F52-Y472 HydrophobicContact CZ-CD1 3.65Å; F52-Y472 HydrophobicContact CZ-CE1 4.09Å; F52-Y472 AromaticContact CZ-CG 3.93Å; F52-Y472 HydrophobicContact CZ-CG 3.93Å; F52-E474 HydrophobicContact CD2-CB 4.49Å; F52-E474 HydrophobicContact CE2-CB 4.04Å; F52-L475 HydrophobicContact CB-CD2 3.62Å; F52-L475 HydrophobicContact CD1-CD2 3.42Å; F52-L475 VanDerWaalsContact CD1-CD2 3.42Å; F52-L475 HydrophobicContact CD1-CG 4.03Å; F52-L475 HydrophobicContact CD2-CD2 4.03Å; F52-L475 HydrophobicContact CD2-CG 4.39Å; F52-L475 HydrophobicContact CE1-CD1 4.47Å; F52-L475 HydrophobicContact CE1-CD2 4Å; F52-L475 HydrophobicContact CE1-CG 4.09Å; F52-L475 HydrophobicContact CG-CD2 3.41Å; F52-L475 VanDerWaalsContact CG-CD2 3.41Å; F52-L475 HydrophobicContact CG-CG 4.16Å; F52-L475 HydrophobicContact CZ-CG 4.35Å; F52-Y491 HydrophobicContact CD1-CE1 4.39Å; F52-Y491 HydrophobicContact CE1-CE1 4.47Å
53	E	92.1	Very high	90	Very high	52 Å²	52	72.1 Å²	72.1	24%	0.243	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.2	179	-68.8	-178.9	170.1	0	0	113.7	F49 Y58 Y491	F49-E53 WeakPolarHBondContact O-CG 3.38Å; F49-E53 PolarHBondContact O-N 3.48Å; E53-Y58 HydrophobicContact CB-CD1 4.19Å; E53-Y58 HydrophobicContact CB-CE1 4.03Å; E53-Y58 HydrophobicContact CG-CD1 4.44Å; E53-Y58 HydrophobicContact CG-CD2 4.41Å; E53-Y58 HydrophobicContact CG-CE1 3.97Å; E53-Y58 HydrophobicContact CG-CE2 3.92Å; E53-Y58 WeakPolarHBondContact O-CD1 2.97Å; E53-Y491 WeakPolarHBondContact CG-OH 3.07Å; E53-Y491 PolarHBondContact OE1-OH 2.92Å
54	K	91.1	Very high	90	Very high	178 Å²	178	66.1 Å²	66.1	77%	0.774	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.2	175.1	-65.2	172.4	-171.2	176.6	0	113.1	N50 K51 F52	N50-K54 WeakPolarHBondContact O-CD 3.38Å; N50-K54 WeakPolarHBondContact O-CE 3.33Å; N50-K54 WeakPolarHBondContact O-CG 3.46Å; K51-K54 PolarHBondContact O-N 3.09Å; F52-K54 PolarHBondContact O-N 3.47Å; F52-K54 VanDerWaalsContact O-N 3.13Å
55	S	88.9	Confident	90.1	Very high	36 Å²	36	66.5 Å²	66.5	25%	0.252	32%	0.32	S	S	.	.	S	Bend	trans	-78.8	153.8	179.5	76.5	0	0	0	0	111.6	K51 F52 S57 Y58	K51-S55 PolarHBondContact O-N 3.36Å; F52-S55 WeakPolarHBondContact O-CB 3.21Å; F52-S55 PolarHBondContact O-N 2.94Å; F52-S55 PolarHBondContact O-OG 2.02Å; S55-S57 VanDerWaalsContact C-N 3.29Å; S55-S57 PolarHBondContact O-N 3.44Å; S55-Y58 PolarHBondContact O-N 3.01Å; S55-Y58 PolarHBondContact OG-N 3.13Å
56	L	82.8	Confident	90.2	Very high	130 Å²	130	67 Å²	67	68%	0.681	32%	0.323	S	S	*	.	H	α-helix	trans	-63	-37.7	173.6	-178.2	61.9	0	0	0	111.7	Y58 L59 L60	L56-Y58 VanDerWaalsContact C-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.4Å; L56-L59 HydrophobicContact CD1-CD1 4.46Å; L56-L59 PolarHBondContact O-N 3.14Å; L56-L59 VanDerWaalsContact O-N 3.15Å; L56-L60 HydrophobicContact CG-CD1 4.41Å
57	S	78.4	Confident	90.2	Very high	42 Å²	42	65.1 Å²	65.1	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-56.4	-42.9	179	-55.9	0	0	0	0	111.7	S55 L59 L60 L61	S55-S57 VanDerWaalsContact C-N 3.29Å; S55-S57 PolarHBondContact O-N 3.44Å; S57-L59 PolarHBondContact O-N 2.96Å; S57-L60 PolarHBondContact O-N 3.47Å; S57-L61 WeakPolarHBondContact O-CD1 3.09Å; S57-L61 WeakPolarHBondContact O-CG 3.42Å; S57-L61 PolarHBondContact O-N 3.36Å; S57-L61 VanDerWaalsContact O-N 3.12Å
58	Y	83.2	Confident	90.4	Very high	11 Å²	11	60.4 Å²	60.4	4%	0.043	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-33.1	179.8	-178.9	-106.7	0	0	0	113.8	F52 E53 S55 L56 L60 Y472 R512	F52-Y58 AromaticContact CD1-CD2 3.77Å; F52-Y58 HydrophobicContact CD1-CD2 3.77Å; F52-Y58 HydrophobicContact CD1-CE2 4.3Å; F52-Y58 AromaticContact CE1-CD2 3.44Å; F52-Y58 HydrophobicContact CE1-CD2 3.44Å; F52-Y58 VanDerWaalsContact CE1-CD2 3.44Å; F52-Y58 HydrophobicContact CE1-CE2 4.06Å; F52-Y58 HydrophobicContact CE1-CG 4.45Å; F52-Y58 AromaticContact CZ-CD2 3.95Å; F52-Y58 HydrophobicContact CZ-CD2 3.95Å; F52-Y58 VanDerWaalsContact O-CB 3.24Å; F52-Y58 WeakPolarHBondContact O-CB 3.14Å; E53-Y58 HydrophobicContact CB-CD1 4.19Å; E53-Y58 HydrophobicContact CB-CE1 4.03Å; E53-Y58 HydrophobicContact CG-CD1 4.44Å; E53-Y58 HydrophobicContact CG-CD2 4.41Å; E53-Y58 HydrophobicContact CG-CE1 3.97Å; E53-Y58 HydrophobicContact CG-CE2 3.92Å; E53-Y58 WeakPolarHBondContact O-CD1 2.97Å; S55-Y58 PolarHBondContact O-N 3.01Å; S55-Y58 PolarHBondContact OG-N 3.13Å; L56-Y58 VanDerWaalsContact C-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.4Å; Y58-L60 VanDerWaalsContact C-N 3.28Å; Y58-L60 PolarHBondContact O-N 2.95Å; Y58-Y472 HydrophobicContact CD2-CE1 4.46Å; Y58-R512 PolarHBondContact OH-NH1 3.34Å
59	L	77.6	Confident	90.6	Very high	81 Å²	81	58.3 Å²	58.3	42%	0.424	28%	0.283	S	S	.	.	H	α-helix	trans	-71.8	-23.6	178.5	-63.6	175	0	0	0	113.1	L56 S57	L56-L59 HydrophobicContact CD1-CD1 4.46Å; L56-L59 PolarHBondContact O-N 3.14Å; L56-L59 VanDerWaalsContact O-N 3.15Å; S57-L59 PolarHBondContact O-N 2.96Å
60	L	78.7	Confident	90.7	Very high	123 Å²	123	58.1 Å²	58.1	64%	0.644	28%	0.283	S	S	*	.	H	α-helix	trans	-98.7	-18.7	-174.4	-61.8	176.1	0	0	0	112.9	L56 S57 Y58	L56-L60 HydrophobicContact CG-CD1 4.41Å; S57-L60 PolarHBondContact O-N 3.47Å; Y58-L60 VanDerWaalsContact C-N 3.28Å; Y58-L60 PolarHBondContact O-N 2.95Å
61	L	81.7	Confident	90.9	Very high	50 Å²	50	54.2 Å²	54.2	26%	0.262	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-94.2	136	-172	-67	168.2	0	0	0	112.4	F52 S57 Y472 E474	F52-L61 HydrophobicContact CZ-CD1 4.42Å; S57-L61 WeakPolarHBondContact O-CD1 3.09Å; S57-L61 WeakPolarHBondContact O-CG 3.42Å; S57-L61 PolarHBondContact O-N 3.36Å; S57-L61 VanDerWaalsContact O-N 3.12Å; L61-Y472 HydrophobicContact CB-CD1 4.28Å; L61-Y472 HydrophobicContact CB-CE1 4.3Å; L61-Y472 HydrophobicContact CD1-CD1 4.41Å; L61-E474 WeakPolarHBondContact CD1-OE2 3.21Å
62	K	87.7	Confident	91.2	Very high	116 Å²	116	47 Å²	47	50%	0.504	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-80.3	142.2	162.3	-172.3	-175.3	175	-168	0	108.4	E376 P471	K62-E376 IonicContact NZ-OE1 2.65Å; K62-E376 PolarHBondContact NZ-OE1 3.31Å; K62-P471 WeakPolarHBondContact O-CB 3.39Å
63	R	92.3	Very high	91.4	Very high	70 Å²	70	46.3 Å²	46.3	26%	0.264	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-57.4	139.3	173.2	-174.6	-178.7	72	79.6	-7.7	110.7	Y472 S492 L493 C494	R63-Y472 HydrophobicContact CG-CE2 4.16Å; R63-S492 WeakPolarHBondContact CD-O 3.45Å; R63-S492 WeakPolarHBondContact CG-O 2.92Å; R63-S492 PolarHBondContact NH1-O 3.05Å; R63-L493 PolarHBondContact NH1-O 2.92Å; R63-C494 WeakPolarHBondContact CD-SG 2.93Å
64	P	96.5	Very high	91.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-59	142.2	172.2	20.5	-30.4	0	0	0	111.8	N66 L378 P471 Y472	P64-N66 WeakPolarHBondContact CB-O 3.42Å; P64-L378 HydrophobicContact CB-CB 4.03Å; P64-L378 HydrophobicContact CG-CB 4.2Å; P64-P471 HydrophobicContact CB-CG 3.82Å; P64-P471 HydrophobicContact CG-CG 4.48Å; P64-Y472 HydrophobicContact CG-CD2 4.49Å
65	K	97.5	Very high	92.1	Very high	60 Å²	60	35.4 Å²	35.4	26%	0.261	18%	0.179	S	C	.	.	S	Bend	trans	-83.3	-34.8	165.6	-179.8	177.3	164.2	173.3	0	111.1	P330 G332 E376 L493	K65-P330 WeakPolarHBondContact CE-O 3.28Å; K65-P330 PolarHBondContact NZ-O 2.81Å; K65-P330 VanDerWaalsContact NZ-O 3.15Å; K65-G332 WeakPolarHBondContact O-CA 3.32Å; K65-E376 HydrophobicContact CB-CB 4.18Å; K65-E376 PolarHBondContact N-O 3.4Å; K65-L493 WeakPolarHBondContact O-CD2 3.21Å
66	N	98.8	Very high	92.5	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	153.1	-175.5	-41.5	-59.6	0	0	0	111.3	P64 G332 F333 E376 T377 L378	P64-N66 WeakPolarHBondContact CB-O 3.42Å; N66-G332 WeakPolarHBondContact OD1-CA 3.25Å; N66-F333 CarbonylContact C-O 3.55Å; N66-F333 VanDerWaalsContact CA-O 3.26Å; N66-F333 WeakPolarHBondContact CA-O 3.28Å; N66-F333 HydrophobicContact CB-CD1 3.87Å; N66-F333 HydrophobicContact CB-CD2 4.42Å; N66-F333 HydrophobicContact CB-CE1 3.63Å; N66-F333 HydrophobicContact CB-CE2 4.23Å; N66-F333 HydrophobicContact CB-CG 4.25Å; N66-F333 HydrophobicContact CB-CZ 3.83Å; N66-F333 VanDerWaalsContact CG-CD1 3.48Å; N66-F333 WeakPolarHBondContact OD1-CD1 3.31Å; N66-F333 WeakPolarHBondContact OD1-CE1 3.35Å; N66-F333 PolarHBondContact OD1-N 2.78Å; N66-F333 VanDerWaalsContact OD1-N 3.15Å; N66-E376 PolarHBondContact N-O 2.83Å; N66-T377 HydrophobicContact CB-CG2 3.9Å; N66-T377 PolarHBondContact ND2-OG1 2.62Å; N66-T377 VanDerWaalsContact ND2-OG1 3.14Å; N66-T377 WeakPolarHBondContact O-CA 3.33Å; N66-L378 PolarHBondContact O-N 3.01Å
67	V	98.9	Very high	93.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.6	168.6	176.6	0	0	0	0	108.8	F333 L334 L335 L378 T489 L493	V67-F333 PolarHBondContact N-O 3.27Å; V67-L334 HydrophobicContact CB-CD1 3.64Å; V67-L334 HydrophobicContact CG1-CD1 3.68Å; V67-L334 WeakPolarHBondContact O-CA 3.39Å; V67-L335 PolarHBondContact O-N 3.38Å; V67-L378 CarbonylContact C-O 3.6Å; V67-L378 VanDerWaalsContact CA-O 3.3Å; V67-L378 WeakPolarHBondContact CA-O 3.39Å; V67-L378 HydrophobicContact CG2-CB 4.16Å; V67-L378 HydrophobicContact CG2-CD2 4.28Å; V67-T489 HydrophobicContact CB-CG2 4.46Å; V67-T489 HydrophobicContact CG1-CG2 4.13Å; V67-T489 HydrophobicContact CG2-CG2 4.45Å; V67-L493 HydrophobicContact CB-CD1 4.21Å; V67-L493 HydrophobicContact CG2-CD1 3.87Å; V67-L493 HydrophobicContact CG2-CD2 3.86Å; V67-L493 HydrophobicContact CG2-CG 3.7Å
68	I	98.9	Very high	94.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.8	169.2	-49	-176.3	0	0	0	108.6	F70 I323 F333 L335 V337 A368 V372 T377 L378 L379 L380	I68-F70 HydrophobicContact CB-CE2 3.95Å; I68-F70 HydrophobicContact CB-CZ 4.49Å; I68-F70 HydrophobicContact CG2-CD2 3.93Å; I68-F70 HydrophobicContact CG2-CE1 4.28Å; I68-F70 HydrophobicContact CG2-CE2 3.29Å; I68-F70 HydrophobicContact CG2-CZ 3.49Å; I68-F70 VanDerWaalsContact CG2-CZ 3.49Å; I68-I323 HydrophobicContact CD1-CD1 3.97Å; I68-I323 HydrophobicContact CD1-CG1 4.3Å; I68-F333 HydrophobicContact CD1-CE2 3.86Å; I68-F333 HydrophobicContact CD1-CZ 4.07Å; I68-F333 HydrophobicContact CG1-CE2 3.72Å; I68-F333 HydrophobicContact CG1-CZ 4.28Å; I68-L335 WeakPolarHBondContact CA-O 3.44Å; I68-L335 HydrophobicContact CD1-CD2 4.49Å; I68-L335 HydrophobicContact CG1-CB 4.36Å; I68-L335 HydrophobicContact CG2-CB 4.22Å; I68-L335 HydrophobicContact CG2-CD2 4.15Å; I68-L335 HydrophobicContact CG2-CG 4.18Å; I68-V337 HydrophobicContact CG2-CG2 4.18Å; I68-A368 HydrophobicContact CD1-CB 4.17Å; I68-V372 HydrophobicContact CD1-CG1 3.98Å; I68-T377 HydrophobicContact CD1-CG2 4.25Å; I68-T377 HydrophobicContact CG1-CG2 4.07Å; I68-L378 PolarHBondContact N-O 2.84Å; I68-L379 HydrophobicContact CB-CD2 4.48Å; I68-L379 HydrophobicContact CD1-CD2 4.36Å; I68-L380 PolarHBondContact O-N 3.18Å
69	L	98.9	Very high	94.9	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.1	176.9	177.7	60.5	0	0	0	109.6	I71 F130 L335 L336 V337 L380 T382 I485	L69-I71 HydrophobicContact CD1-CD1 3.88Å; L69-I71 HydrophobicContact CD2-CD1 4.1Å; L69-I71 HydrophobicContact CG-CD1 3.84Å; L69-I71 HydrophobicContact CG-CG1 4.18Å; L69-F130 HydrophobicContact CD2-CD2 3.75Å; L69-F130 HydrophobicContact CD2-CE2 4.09Å; L69-L335 PolarHBondContact N-O 3.18Å; L69-L336 HydrophobicContact CB-CD1 4.45Å; L69-L336 HydrophobicContact CD2-CD1 4.13Å; L69-L336 HydrophobicContact CG-CD1 4.19Å; L69-L336 WeakPolarHBondContact O-CA 3.43Å; L69-V337 PolarHBondContact O-N 3.33Å; L69-L380 HydrophobicContact CD1-CB 3.7Å; L69-L380 HydrophobicContact CD1-CD1 4.23Å; L69-T382 HydrophobicContact CD1-CG2 4.03Å; L69-I485 HydrophobicContact CD1-CG2 4.1Å; L69-I485 HydrophobicContact CD2-CG2 4.02Å
70	F	99	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.6	172.7	-64	-89.3	0	0	0	110.1	I68 T319 V337 L361 A364 V365 A368 L379 L380 V381 T382	I68-F70 HydrophobicContact CB-CE2 3.95Å; I68-F70 HydrophobicContact CB-CZ 4.49Å; I68-F70 HydrophobicContact CG2-CD2 3.93Å; I68-F70 HydrophobicContact CG2-CE1 4.28Å; I68-F70 HydrophobicContact CG2-CE2 3.29Å; I68-F70 HydrophobicContact CG2-CZ 3.49Å; I68-F70 VanDerWaalsContact CG2-CZ 3.49Å; F70-T319 HydrophobicContact CE1-CG2 4.29Å; F70-T319 HydrophobicContact CZ-CG2 4.47Å; F70-V337 CarbonylContact C-O 3.56Å; F70-V337 VanDerWaalsContact CA-O 3.27Å; F70-V337 WeakPolarHBondContact CA-O 3.49Å; F70-V337 HydrophobicContact CD1-CB 3.55Å; F70-V337 HydrophobicContact CD1-CG1 3.76Å; F70-V337 HydrophobicContact CD1-CG2 4.09Å; F70-V337 HydrophobicContact CE1-CB 3.74Å; F70-V337 HydrophobicContact CE1-CG1 3.86Å; F70-V337 HydrophobicContact CE1-CG2 3.79Å; F70-V337 HydrophobicContact CG-CB 4.37Å; F70-V337 HydrophobicContact CZ-CG2 4.39Å; F70-L361 HydrophobicContact CB-CD1 4.24Å; F70-L361 HydrophobicContact CD1-CD1 4.1Å; F70-A364 HydrophobicContact CE1-CB 4.23Å; F70-V365 HydrophobicContact CB-CG2 4.24Å; F70-V365 HydrophobicContact CD1-CG2 3.63Å; F70-V365 HydrophobicContact CD2-CG2 3.86Å; F70-V365 HydrophobicContact CE1-CG2 3.87Å; F70-V365 HydrophobicContact CE2-CG2 4.07Å; F70-V365 HydrophobicContact CG-CG2 3.64Å; F70-V365 HydrophobicContact CZ-CG2 4.09Å; F70-A368 HydrophobicContact CE2-CB 4.29Å; F70-A368 HydrophobicContact CZ-CB 3.57Å; F70-L379 HydrophobicContact CE2-CD2 4.16Å; F70-L380 WeakPolarHBondContact CB-O 3.45Å; F70-L380 WeakPolarHBondContact CD2-O 3.38Å; F70-L380 PolarHBondContact N-O 3.39Å; F70-V381 HydrophobicContact CB-CB 4.4Å; F70-V381 HydrophobicContact CB-CG1 4.49Å; F70-V381 HydrophobicContact CB-CG2 3.92Å; F70-V381 HydrophobicContact CD2-CG2 4.07Å; F70-V381 HydrophobicContact CG-CG2 4.25Å; F70-T382 PolarHBondContact O-N 3.34Å
71	I	98.9	Very high	96.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.2	176.3	-56.8	-61	0	0	0	108.8	L69 D73 F130 T187 L336 V337 E338 G339 T382 D384	L69-I71 HydrophobicContact CD1-CD1 3.88Å; L69-I71 HydrophobicContact CD2-CD1 4.1Å; L69-I71 HydrophobicContact CG-CD1 3.84Å; L69-I71 HydrophobicContact CG-CG1 4.18Å; I71-D73 PolarHBondContact O-N 3.14Å; I71-F130 HydrophobicContact CD1-CD1 4.45Å; I71-F130 HydrophobicContact CD1-CD2 4.07Å; I71-F130 HydrophobicContact CD1-CE1 4.12Å; I71-F130 HydrophobicContact CD1-CE2 3.71Å; I71-F130 HydrophobicContact CD1-CG 4.44Å; I71-F130 HydrophobicContact CD1-CZ 3.75Å; I71-F130 HydrophobicContact CG1-CE1 4.44Å; I71-F130 HydrophobicContact CG1-CE2 3.73Å; I71-F130 HydrophobicContact CG1-CZ 3.68Å; I71-F130 HydrophobicContact CG2-CZ 4.24Å; I71-T187 HydrophobicContact CG2-CG2 4.41Å; I71-L336 HydrophobicContact CG1-CD1 3.79Å; I71-V337 PolarHBondContact N-O 2.84Å; I71-E338 HydrophobicContact CB-CG 4.4Å; I71-E338 HydrophobicContact CG2-CG 4.49Å; I71-E338 CarbonylContact O-C 3.56Å; I71-E338 VanDerWaalsContact O-CA 3.3Å; I71-E338 WeakPolarHBondContact O-CA 3.42Å; I71-G339 PolarHBondContact O-N 2.97Å; I71-T382 WeakPolarHBondContact CA-O 3.28Å; I71-T382 HydrophobicContact CD1-CG2 3.5Å; I71-T382 VanDerWaalsContact CD1-CG2 3.5Å; I71-D384 HydrophobicContact CG2-CB 4.11Å
72	G	98.8	Very high	97.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.			trans	-84.8	98.3	159.5	0	0	0	0	0	108.8	G74 M75 T382 A383	G72-G74 PolarHBondContact O-N 3.12Å; G72-M75 WeakPolarHBondContact O-CB 3.13Å; G72-M75 PolarHBondContact O-N 3.04Å; G72-T382 PolarHBondContact N-O 2.89Å; G72-A383 WeakPolarHBondContact O-CA 3.23Å; G72-A383 WeakPolarHBondContact O-CB 3.45Å
73	D	98.8	Very high	98.2	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	123.1	179.3	-159.7	-49.7	0	0	0	108.7	I71 M75 T187 I342 D343 D384 H385	I71-D73 PolarHBondContact O-N 3.14Å; D73-M75 VanDerWaalsContact C-N 3.27Å; D73-M75 PolarHBondContact O-N 3.14Å; D73-T187 PolarHBondContact OD2-OG1 2.88Å; D73-I342 WeakPolarHBondContact O-CB 3.49Å; D73-I342 WeakPolarHBondContact O-CG2 3.3Å; D73-D343 HydrophobicContact CB-CB 3.98Å; D73-D343 WeakPolarHBondContact O-CA 3.27Å; D73-D343 WeakPolarHBondContact O-CB 3.31Å; D73-D343 PolarHBondContact O-N 3.06Å; D73-D343 VanDerWaalsContact OD1-CB 3.23Å; D73-D343 WeakPolarHBondContact OD1-CB 3.21Å; D73-D384 VanDerWaalsContact CA-OD1 3.29Å; D73-D384 WeakPolarHBondContact CA-OD1 3.33Å; D73-H385 IonicContact OD1-CE1 3.35Å; D73-H385 IonicContact OD1-NE2 3.94Å; D73-H385 PolarHBondContact OD1-NE2 2.89Å
74	G	98.4	Very high	98.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	14	-175.2	0	0	0	0	0	116.1	G72 S76 N346 D384 H385	G72-G74 PolarHBondContact O-N 3.12Å; G74-S76 PolarHBondContact O-N 3.03Å; G74-N346 PolarHBondContact O-ND2 3.37Å; G74-D384 PolarHBondContact N-OD1 2.88Å; G74-H385 CarbonylContact C-O 3.59Å; G74-H385 WeakPolarHBondContact CA-O 3.49Å
75	M	98.7	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.			trans	-78	80.7	-178.9	-174.1	-174.2	67.9	0	0	112.2	G72 D73 T79 V80 W102 I342 T358 L361 V381 A383	G72-M75 WeakPolarHBondContact O-CB 3.13Å; G72-M75 PolarHBondContact O-N 3.04Å; D73-M75 VanDerWaalsContact C-N 3.27Å; D73-M75 PolarHBondContact O-N 3.14Å; M75-T79 HydrophobicContact CG-CG2 4.16Å; M75-V80 HydrophobicContact CE-CG2 4.25Å; M75-V80 HydrophobicContact CG-CG2 3.83Å; M75-V80 HydrophobicContact SD-CG2 3.98Å; M75-W102 HydrophobicContact SD-CZ2 4.08Å; M75-I342 HydrophobicContact CB-CD1 4.4Å; M75-I342 HydrophobicContact CB-CG2 4.32Å; M75-T358 HydrophobicContact CG-CG2 4.32Å; M75-T358 HydrophobicContact SD-CG2 3.91Å; M75-L361 HydrophobicContact CE-CD2 4.47Å; M75-L361 HydrophobicContact SD-CD2 3.98Å; M75-V381 HydrophobicContact CE-CG1 4.09Å; M75-A383 HydrophobicContact CB-CB 3.96Å; M75-A383 VanDerWaalsContact O-CB 3.3Å; M75-A383 WeakPolarHBondContact O-CB 3.42Å
76	S	98.2	Very high	98.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.			trans	-63.1	166.7	174.4	69.6	0	0	0	0	113.8	G74 N78 T79 V80 S386	G74-S76 PolarHBondContact O-N 3.03Å; S76-N78 PolarHBondContact O-N 3.15Å; S76-N78 PolarHBondContact OG-N 2.97Å; S76-T79 PolarHBondContact N-OG1 2.8Å; S76-T79 WeakPolarHBondContact O-CA 3.47Å; S76-T79 WeakPolarHBondContact O-CB 3.26Å; S76-T79 PolarHBondContact O-N 3.16Å; S76-T79 PolarHBondContact OG-N 3.42Å; S76-T79 PolarHBondContact OG-OG1 3.16Å; S76-V80 PolarHBondContact O-N 3.47Å; S76-S386 WeakPolarHBondContact CB-OG 3.26Å
77	L	98.2	Very high	98.5	Very high	66 Å²	66	15.4 Å²	15.4	35%	0.346	7%	0.072	S	C	.	.	H	α-helix	trans	-55.8	-37.8	168.6	-76.5	170.8	0	0	0	111.9	V80 T81 L110 P465	L77-V80 PolarHBondContact O-N 2.85Å; L77-T81 WeakPolarHBondContact O-CB 3.11Å; L77-T81 PolarHBondContact O-N 3.41Å; L77-T81 PolarHBondContact O-OG1 3.39Å; L77-L110 HydrophobicContact CD1-CD2 4.04Å; L77-L110 HydrophobicContact CD2-CD2 4.3Å; L77-P465 HydrophobicContact CD2-CB 3.79Å; L77-P465 HydrophobicContact CD2-CG 3.96Å
78	N	98.1	Very high	98.5	Very high	45 Å²	45	15.4 Å²	15.4	24%	0.241	7%	0.072	C	C	.	.	H	α-helix	trans	-67.2	-38.1	174.3	-77.8	-63.8	0	0	0	111.8	S76 T81 G82 Y389 V391	S76-N78 PolarHBondContact O-N 3.15Å; S76-N78 PolarHBondContact OG-N 2.97Å; N78-T81 WeakPolarHBondContact O-CB 3.36Å; N78-T81 PolarHBondContact O-N 2.92Å; N78-G82 PolarHBondContact O-N 3.15Å; N78-Y389 HydrophobicContact CB-CD1 3.8Å; N78-Y389 HydrophobicContact CB-CE1 4.04Å; N78-Y389 WeakPolarHBondContact CB-O 3.42Å; N78-Y389 PolarHBondContact ND2-O 2.94Å; N78-Y389 WeakPolarHBondContact O-CE1 3.17Å; N78-V391 PolarHBondContact OD1-N 3.39Å
79	T	98.7	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-44.1	175.4	-54.7	0	0	0	0	110.9	M75 S76 T81 G82 A83 I342 L355 T358	M75-T79 HydrophobicContact CG-CG2 4.16Å; S76-T79 PolarHBondContact N-OG1 2.8Å; S76-T79 WeakPolarHBondContact O-CA 3.47Å; S76-T79 WeakPolarHBondContact O-CB 3.26Å; S76-T79 PolarHBondContact O-N 3.16Å; S76-T79 PolarHBondContact OG-N 3.42Å; S76-T79 PolarHBondContact OG-OG1 3.16Å; T79-T81 VanDerWaalsContact C-N 3.34Å; T79-T81 PolarHBondContact O-N 3Å; T79-G82 PolarHBondContact O-N 3.18Å; T79-A83 VanDerWaalsContact O-CB 3.28Å; T79-A83 WeakPolarHBondContact O-CB 3.5Å; T79-A83 PolarHBondContact O-N 3.08Å; T79-I342 HydrophobicContact CG2-CG2 3.8Å; T79-L355 HydrophobicContact CG2-CD2 4.17Å; T79-L355 WeakPolarHBondContact O-CD2 3.5Å; T79-T358 WeakPolarHBondContact CG2-OG1 3.33Å
80	V	98.6	Very high	98.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-45.2	172.5	171.5	0	0	0	0	111.2	M75 S76 L77 A83 R84 L100 P465	M75-V80 HydrophobicContact CE-CG2 4.25Å; M75-V80 HydrophobicContact CG-CG2 3.83Å; M75-V80 HydrophobicContact SD-CG2 3.98Å; S76-V80 PolarHBondContact O-N 3.47Å; L77-V80 PolarHBondContact O-N 2.85Å; V80-A83 PolarHBondContact O-N 2.64Å; V80-R84 WeakPolarHBondContact O-CB 3.2Å; V80-R84 PolarHBondContact O-N 2.87Å; V80-L100 HydrophobicContact CG1-CD1 3.97Å; V80-P465 HydrophobicContact CG2-CG 4.04Å
81	T	98.1	Very high	98.2	Very high	34 Å²	34	29.4 Å²	29.4	21%	0.209	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-47.4	178.5	-59.8	0	0	0	0	111.7	L77 N78 T79 A83 R84 Y85 V391	L77-T81 WeakPolarHBondContact O-CB 3.11Å; L77-T81 PolarHBondContact O-N 3.41Å; L77-T81 PolarHBondContact O-OG1 3.39Å; N78-T81 WeakPolarHBondContact O-CB 3.36Å; N78-T81 PolarHBondContact O-N 2.92Å; T79-T81 VanDerWaalsContact C-N 3.34Å; T79-T81 PolarHBondContact O-N 3Å; T81-A83 PolarHBondContact O-N 3.41Å; T81-R84 WeakPolarHBondContact O-CB 3.49Å; T81-R84 PolarHBondContact O-N 3.49Å; T81-Y85 HydrophobicContact CG2-CD2 4.18Å; T81-Y85 HydrophobicContact CG2-CE2 3.56Å; T81-Y85 PolarHBondContact O-N 3.2Å; T81-Y85 VanDerWaalsContact O-N 3.12Å; T81-V391 HydrophobicContact CG2-CB 4.44Å; T81-V391 HydrophobicContact CG2-CG2 4.32Å
82	G	98.3	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-42.9	177.8	0	0	0	0	0	111.9	N78 T79 R84 Y85 L86	N78-G82 PolarHBondContact O-N 3.15Å; T79-G82 PolarHBondContact O-N 3.18Å; G82-R84 VanDerWaalsContact C-N 3.31Å; G82-R84 PolarHBondContact O-N 3.05Å; G82-Y85 PolarHBondContact O-N 3.25Å; G82-L86 PolarHBondContact O-N 3.1Å
83	A	98.6	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-39.5	178.6	0	0	0	0	0	111.1	T79 V80 T81 Y85 L86 K87 L100 L355 T358 L359	T79-A83 VanDerWaalsContact O-CB 3.28Å; T79-A83 WeakPolarHBondContact O-CB 3.5Å; T79-A83 PolarHBondContact O-N 3.08Å; V80-A83 PolarHBondContact O-N 2.64Å; T81-A83 PolarHBondContact O-N 3.41Å; A83-Y85 PolarHBondContact O-N 3.34Å; A83-L86 PolarHBondContact O-N 3.26Å; A83-K87 WeakPolarHBondContact O-CB 3.27Å; A83-K87 PolarHBondContact O-N 3.12Å; A83-L100 HydrophobicContact CB-CD1 4.27Å; A83-L355 HydrophobicContact CB-CD2 4.4Å; A83-T358 HydrophobicContact CB-CG2 3.48Å; A83-T358 VanDerWaalsContact CB-CG2 3.48Å; A83-L359 HydrophobicContact CB-CD2 4.22Å
84	R	98	Very high	97.9	Very high	55 Å²	55	45.8 Å²	45.8	21%	0.208	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-43.1	173.7	-170.1	-168.7	-53.3	152.8	20.3	112.3	V80 T81 G82 K87 A88 V98 E103	V80-R84 WeakPolarHBondContact O-CB 3.2Å; V80-R84 PolarHBondContact O-N 2.87Å; T81-R84 WeakPolarHBondContact O-CB 3.49Å; T81-R84 PolarHBondContact O-N 3.49Å; G82-R84 VanDerWaalsContact C-N 3.31Å; G82-R84 PolarHBondContact O-N 3.05Å; R84-K87 WeakPolarHBondContact O-CB 3.44Å; R84-K87 PolarHBondContact O-N 3.02Å; R84-A88 PolarHBondContact O-N 3.11Å; R84-V98 WeakPolarHBondContact CD-O 3.44Å; R84-V98 HydrophobicContact CG-CG2 4.19Å; R84-V98 WeakPolarHBondContact CG-O 3.36Å; R84-V98 WeakPolarHBondContact O-CG2 3.45Å; R84-E103 IonicContact CZ-OE1 3.72Å; R84-E103 IonicContact CZ-OE2 3.53Å; R84-E103 IonicContact NE-OE1 3.53Å; R84-E103 PolarHBondContact NE-OE1 2.67Å; R84-E103 IonicContact NE-OE2 3.56Å; R84-E103 PolarHBondContact NE-OE2 2.83Å; R84-E103 IonicContact NH2-OE1 3.59Å; R84-E103 PolarHBondContact NH2-OE1 3.07Å; R84-E103 IonicContact NH2-OE2 3.59Å
85	Y	98.3	Very high	97.6	Very high	78 Å²	78	46.4 Å²	46.4	31%	0.306	23%	0.226	S	C	.	.	H	α-helix	trans	-68.8	-41.6	176.9	-63.7	-27.6	0	0	0	112.3	T81 G82 A83 K87 A88 E89 V391 V401	T81-Y85 HydrophobicContact CG2-CD2 4.18Å; T81-Y85 HydrophobicContact CG2-CE2 3.56Å; T81-Y85 PolarHBondContact O-N 3.2Å; T81-Y85 VanDerWaalsContact O-N 3.12Å; G82-Y85 PolarHBondContact O-N 3.25Å; A83-Y85 PolarHBondContact O-N 3.34Å; Y85-K87 VanDerWaalsContact C-N 3.29Å; Y85-K87 PolarHBondContact O-N 3.12Å; Y85-A88 WeakPolarHBondContact O-CB 3.12Å; Y85-A88 PolarHBondContact O-N 3.01Å; Y85-E89 PolarHBondContact O-N 3.49Å; Y85-V391 HydrophobicContact CD2-CG1 4.09Å; Y85-V391 HydrophobicContact CE2-CG1 3.87Å; Y85-V401 HydrophobicContact CD2-CB 4.38Å; Y85-V401 HydrophobicContact CD2-CG2 3.91Å
86	L	98.1	Very high	97.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-37.4	173.4	-178.1	63.2	0	0	0	111.9	G82 A83 K90 L355 L359 V401 L402	G82-L86 PolarHBondContact O-N 3.1Å; A83-L86 PolarHBondContact O-N 3.26Å; L86-K90 HydrophobicContact CG-CD 4.43Å; L86-K90 WeakPolarHBondContact O-CG 3.39Å; L86-K90 PolarHBondContact O-N 3.37Å; L86-L355 HydrophobicContact CD2-CB 3.62Å; L86-L359 HydrophobicContact CD2-CD1 4.12Å; L86-L359 HydrophobicContact CG-CD1 4.17Å; L86-V401 HydrophobicContact CB-CG1 4.16Å; L86-L402 HydrophobicContact CD1-CD1 4.1Å
87	K	98.2	Very high	96.9	Very high	30 Å²	30	52.7 Å²	52.7	13%	0.13	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-47.5	173.8	-177.4	178.3	-177.8	175.8	0	111.3	A83 R84 Y85 E89 K90 M91 V98 Q99 L100 L359 E362	A83-K87 WeakPolarHBondContact O-CB 3.27Å; A83-K87 PolarHBondContact O-N 3.12Å; R84-K87 WeakPolarHBondContact O-CB 3.44Å; R84-K87 PolarHBondContact O-N 3.02Å; Y85-K87 VanDerWaalsContact C-N 3.29Å; Y85-K87 PolarHBondContact O-N 3.12Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 2.95Å; K87-K90 PolarHBondContact O-N 3.34Å; K87-M91 HydrophobicContact CD-SD 4.36Å; K87-M91 HydrophobicContact CG-SD 3.78Å; K87-M91 WeakPolarHBondContact O-CG 3.22Å; K87-M91 PolarHBondContact O-N 2.95Å; K87-M91 VanDerWaalsContact O-N 3.09Å; K87-V98 HydrophobicContact CB-CG2 4.07Å; K87-V98 HydrophobicContact CD-CG2 4.08Å; K87-V98 HydrophobicContact CG-CG2 3.98Å; K87-Q99 PolarHBondContact NZ-O 2.86Å; K87-L100 HydrophobicContact CD-CD2 4.01Å; K87-L359 HydrophobicContact CB-CD2 3.86Å; K87-L359 HydrophobicContact CG-CD2 4.47Å; K87-E362 WeakPolarHBondContact CD-OE2 3.33Å; K87-E362 WeakPolarHBondContact CE-OE2 3.35Å; K87-E362 IonicContact NZ-OE1 3.7Å; K87-E362 PolarHBondContact NZ-OE1 2.84Å; K87-E362 IonicContact NZ-OE2 2.87Å; K87-E362 PolarHBondContact NZ-OE2 2.76Å; K87-E362 VanDerWaalsContact NZ-OE2 3.16Å
88	A	98.2	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-48.4	178.7	0	0	0	0	0	110.8	R84 Y85 K90 M91 D92 F93 V98	R84-A88 PolarHBondContact O-N 3.11Å; Y85-A88 WeakPolarHBondContact O-CB 3.12Å; Y85-A88 PolarHBondContact O-N 3.01Å; A88-K90 PolarHBondContact O-N 3.06Å; A88-M91 CarbonylContact O-C 3.52Å; A88-M91 WeakPolarHBondContact O-CA 3.27Å; A88-M91 PolarHBondContact O-N 3.43Å; A88-D92 PolarHBondContact O-N 2.73Å; A88-D92 VanDerWaalsContact O-N 3.11Å; A88-F93 CarbonylContact C-O 3.47Å; A88-F93 HydrophobicContact CB-CB 4.38Å; A88-F93 PolarHBondContact O-N 3.3Å; A88-V98 HydrophobicContact CB-CG1 4.32Å; A88-V98 HydrophobicContact CB-CG2 3.75Å
89	E	96.8	Very high	96.8	Very high	84 Å²	84	53 Å²	53	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-56.5	-48.9	176.3	-178.8	-166.5	155	0	0	111.9	Y85 K87 M91 D92 S400	Y85-E89 PolarHBondContact O-N 3.49Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 2.95Å; E89-M91 PolarHBondContact O-N 3.15Å; E89-M91 VanDerWaalsContact O-N 3.12Å; E89-D92 PolarHBondContact O-N 2.89Å; E89-S400 WeakPolarHBondContact OE2-CA 3.35Å; E89-S400 WeakPolarHBondContact OE2-CB 3.37Å; E89-S400 PolarHBondContact OE2-OG 2.97Å
90	K	96.4	Very high	96.8	Very high	126 Å²	126	53 Å²	53	55%	0.548	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-19.5	178.1	-74.2	179.1	-176.5	-61.1	0	113.6	L86 K87 A88 L359	L86-K90 HydrophobicContact CG-CD 4.43Å; L86-K90 WeakPolarHBondContact O-CG 3.39Å; L86-K90 PolarHBondContact O-N 3.37Å; K87-K90 PolarHBondContact O-N 3.34Å; A88-K90 PolarHBondContact O-N 3.06Å; K90-L359 HydrophobicContact CD-CD1 3.92Å
91	M	97.1	Very high	96.8	Very high	94 Å²	94	54.8 Å²	54.8	46%	0.463	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	6.5	178.2	-65.2	176.4	61.9	0	0	112.9	K87 A88 E89 F93 V98	K87-M91 HydrophobicContact CD-SD 4.36Å; K87-M91 HydrophobicContact CG-SD 3.78Å; K87-M91 WeakPolarHBondContact O-CG 3.22Å; K87-M91 PolarHBondContact O-N 2.95Å; K87-M91 VanDerWaalsContact O-N 3.09Å; A88-M91 CarbonylContact O-C 3.52Å; A88-M91 WeakPolarHBondContact O-CA 3.27Å; A88-M91 PolarHBondContact O-N 3.43Å; E89-M91 PolarHBondContact O-N 3.15Å; E89-M91 VanDerWaalsContact O-N 3.12Å; M91-F93 VanDerWaalsContact C-N 3.25Å; M91-F93 HydrophobicContact CB-CD2 3.54Å; M91-F93 HydrophobicContact CB-CE2 4.04Å; M91-F93 HydrophobicContact CE-CD2 4.08Å; M91-F93 HydrophobicContact CE-CE2 3.85Å; M91-F93 WeakPolarHBondContact O-CD2 3.26Å; M91-F93 PolarHBondContact O-N 3.39Å; M91-V98 HydrophobicContact CE-CG1 4.45Å; M91-V98 HydrophobicContact SD-CG1 4.28Å
92	D	96.1	Very high	96.8	Very high	158 Å²	158	53.1 Å²	53.1	85%	0.845	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	36.1	-176.1	-160	36.2	0	0	0	113.2	A88 E89	A88-D92 PolarHBondContact O-N 2.73Å; A88-D92 VanDerWaalsContact O-N 3.11Å; E89-D92 PolarHBondContact O-N 2.89Å
93	F	97.8	Very high	96.7	Very high	113 Å²	113	54.8 Å²	54.8	50%	0.496	28%	0.276	S	S	.	.			trans	-110.8	160	173.5	-72.1	-64.3	0	0	0	111.7	A88 M91 D97 V98	A88-F93 CarbonylContact C-O 3.47Å; A88-F93 HydrophobicContact CB-CB 4.38Å; A88-F93 PolarHBondContact O-N 3.3Å; M91-F93 VanDerWaalsContact C-N 3.25Å; M91-F93 HydrophobicContact CB-CD2 3.54Å; M91-F93 HydrophobicContact CB-CE2 4.04Å; M91-F93 HydrophobicContact CE-CD2 4.08Å; M91-F93 HydrophobicContact CE-CE2 3.85Å; M91-F93 WeakPolarHBondContact O-CD2 3.26Å; M91-F93 PolarHBondContact O-N 3.39Å; F93-D97 HydrophobicContact CB-CB 4.32Å; F93-V98 HydrophobicContact CB-CG1 4.1Å; F93-V98 HydrophobicContact CD2-CG1 3.87Å; F93-V98 HydrophobicContact CG-CG1 4.24Å
94	L	97.1	Very high	96.6	Very high	73 Å²	73	60.8 Å²	60.8	38%	0.382	31%	0.308	S	S	.	.			trans	-70.4	147.3	174.8	-59.8	174.7	0	0	0	110.9	G96 D97 R397 N398	L94-G96 PolarHBondContact O-N 3.04Å; L94-G96 VanDerWaalsContact O-N 3.16Å; L94-D97 WeakPolarHBondContact CB-OD2 3.26Å; L94-D97 WeakPolarHBondContact O-CB 3.48Å; L94-D97 PolarHBondContact O-N 3.17Å; L94-R397 HydrophobicContact CB-CB 4.32Å; L94-N398 HydrophobicContact CD2-CB 3.68Å
95	G	92.4	Very high	96.6	Very high	14 Å²	14	59.3 Å²	59.3	14%	0.144	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	122.1	172.4	0	0	0	0	0	111.3	R397	G95-R397 PolarHBondContact N-O 3.44Å; G95-R397 VanDerWaalsContact O-CZ 3.31Å; G95-R397 PolarHBondContact O-NE 3.26Å; G95-R397 PolarHBondContact O-NH2 3.44Å
96	G	87	Confident	96.5	Very high	40 Å²	40	60 Å²	60	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	-5.4	-179.6	0	0	0	0	0	115.9	L94 V98	L94-G96 PolarHBondContact O-N 3.04Å; L94-G96 VanDerWaalsContact O-N 3.16Å; G96-V98 VanDerWaalsContact C-N 3.32Å
97	D	94.6	Very high	96.5	Very high	91 Å²	91	60.4 Å²	60.4	49%	0.487	32%	0.319	S	S	.	.	S	Bend	trans	-79.7	-14.1	176.6	-75.4	-11.2	0	0	0	113.5	F93 L94 R397	F93-D97 HydrophobicContact CB-CB 4.32Å; L94-D97 WeakPolarHBondContact CB-OD2 3.26Å; L94-D97 WeakPolarHBondContact O-CB 3.48Å; L94-D97 PolarHBondContact O-N 3.17Å; D97-R397 IonicContact OD1-CZ 3.37Å; D97-R397 IonicContact OD1-NH1 2.89Å; D97-R397 IonicContact OD1-NH2 2.85Å; D97-R397 PolarHBondContact OD1-NH2 3.16Å; D97-R397 IonicContact OD2-NH2 2.69Å
98	V	97	Very high	96.5	Very high	14 Å²	14	62 Å²	62	9%	0.085	34%	0.338	C	S	.	.			trans	-115.2	160.4	179.3	-50.2	0	0	0	0	110.8	R84 K87 A88 M91 F93 G96	R84-V98 WeakPolarHBondContact CD-O 3.44Å; R84-V98 HydrophobicContact CG-CG2 4.19Å; R84-V98 WeakPolarHBondContact CG-O 3.36Å; R84-V98 WeakPolarHBondContact O-CG2 3.45Å; K87-V98 HydrophobicContact CB-CG2 4.07Å; K87-V98 HydrophobicContact CD-CG2 4.08Å; K87-V98 HydrophobicContact CG-CG2 3.98Å; A88-V98 HydrophobicContact CB-CG1 4.32Å; A88-V98 HydrophobicContact CB-CG2 3.75Å; M91-V98 HydrophobicContact CE-CG1 4.45Å; M91-V98 HydrophobicContact SD-CG1 4.28Å; F93-V98 HydrophobicContact CB-CG1 4.1Å; F93-V98 HydrophobicContact CD2-CG1 3.87Å; F93-V98 HydrophobicContact CG-CG1 4.24Å; G96-V98 VanDerWaalsContact C-N 3.32Å
99	Q	97.2	Very high	96.5	Very high	105 Å²	105	62.9 Å²	62.9	49%	0.491	34%	0.344	S	S	.	.			trans	-121.6	153.5	173.3	-74.9	-179.7	-26.8	0	0	109.7	K87 E103	K87-Q99 PolarHBondContact NZ-O 2.86Å; Q99-E103 HydrophobicContact CB-CB 4.16Å; Q99-E103 HydrophobicContact CG-CB 4.41Å
100	L	98.4	Very high	96.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.342	C	S	.	.			trans	-70.3	150.1	160.2	-53.6	176.1	0	0	0	109.2	V80 A83 K87 W102 E103 T358 L359 E362	V80-L100 HydrophobicContact CG1-CD1 3.97Å; A83-L100 HydrophobicContact CB-CD1 4.27Å; K87-L100 HydrophobicContact CD-CD2 4.01Å; L100-W102 HydrophobicContact CB-CD2 4.22Å; L100-W102 HydrophobicContact CB-CZ2 4Å; L100-W102 HydrophobicContact CD1-CH2 4.19Å; L100-W102 HydrophobicContact CD1-CZ2 3.33Å; L100-W102 HydrophobicContact CG-CZ2 4.25Å; L100-W102 PolarHBondContact O-N 3.12Å; L100-E103 HydrophobicContact CB-CG 4.02Å; L100-E103 PolarHBondContact N-OE2 2.93Å; L100-E103 WeakPolarHBondContact O-CB 3.45Å; L100-E103 PolarHBondContact O-N 2.66Å; L100-T358 HydrophobicContact CD1-CG2 4.28Å; L100-L359 HydrophobicContact CD2-CD2 3.8Å; L100-E362 WeakPolarHBondContact CA-OE1 3.3Å
101	V	98.1	Very high	96.7	Very high	37 Å²	37	56.1 Å²	56.1	22%	0.224	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-54.1	-35.4	-171.1	70.6	0	0	0	0	113.5	W105 E362 V365 E366 L369	V101-W105 PolarHBondContact O-NE1 3.14Å; V101-E362 HydrophobicContact CB-CG 4.35Å; V101-E362 HydrophobicContact CG1-CG 3.99Å; V101-E362 PolarHBondContact N-OE1 3.31Å; V101-V365 HydrophobicContact CG1-CB 3.98Å; V101-V365 HydrophobicContact CG1-CG1 3.63Å; V101-E366 HydrophobicContact CB-CG 3.99Å; V101-E366 HydrophobicContact CG1-CG 4.01Å; V101-E366 HydrophobicContact CG2-CG 3.99Å; V101-L369 HydrophobicContact CG2-CD1 3.76Å
102	W	98.1	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-80.7	-13.5	-179.8	55.5	73.2	0	0	0	114.1	M75 L100 N104 W105 T358 L361 E362 V365 V381 Y467	M75-W102 HydrophobicContact SD-CZ2 4.08Å; L100-W102 HydrophobicContact CB-CD2 4.22Å; L100-W102 HydrophobicContact CB-CZ2 4Å; L100-W102 HydrophobicContact CD1-CH2 4.19Å; L100-W102 HydrophobicContact CD1-CZ2 3.33Å; L100-W102 HydrophobicContact CG-CZ2 4.25Å; L100-W102 PolarHBondContact O-N 3.12Å; W102-N104 PolarHBondContact O-N 2.9Å; W102-W105 HydrophobicContact CB-CD2 3.8Å; W102-W105 HydrophobicContact CB-CE3 3.98Å; W102-W105 HydrophobicContact CB-CG 4.33Å; W102-W105 HydrophobicContact CB-CH2 4.28Å; W102-W105 HydrophobicContact CB-CZ2 4.11Å; W102-W105 HydrophobicContact CB-CZ3 4.22Å; W102-W105 WeakPolarHBondContact O-CB 3.44Å; W102-W105 PolarHBondContact O-N 2.7Å; W102-T358 HydrophobicContact CZ2-CG2 4.44Å; W102-L361 HydrophobicContact CH2-CB 4.41Å; W102-L361 HydrophobicContact CH2-CD2 4.23Å; W102-L361 HydrophobicContact CH2-CG 4.21Å; W102-L361 HydrophobicContact CZ3-CG 4.25Å; W102-E362 HydrophobicContact CH2-CB 4Å; W102-E362 HydrophobicContact CZ3-CB 3.84Å; W102-V365 HydrophobicContact CE3-CB 4.04Å; W102-V365 HydrophobicContact CE3-CG1 4.17Å; W102-V365 HydrophobicContact CE3-CG2 3.76Å; W102-V365 HydrophobicContact CZ3-CB 4.24Å; W102-V365 HydrophobicContact CZ3-CG2 3.78Å; W102-V381 HydrophobicContact CB-CB 4.27Å; W102-V381 HydrophobicContact CB-CG2 4.03Å; W102-V381 HydrophobicContact CD2-CB 4.29Å; W102-V381 HydrophobicContact CD2-CG1 3.75Å; W102-V381 HydrophobicContact CD2-CG2 4.22Å; W102-V381 HydrophobicContact CE3-CB 4.48Å; W102-V381 HydrophobicContact CE3-CG1 3.93Å; W102-V381 HydrophobicContact CE3-CG2 4Å; W102-V381 HydrophobicContact CG-CB 4.19Å; W102-V381 HydrophobicContact CG-CG1 4.05Å; W102-V381 HydrophobicContact CG-CG2 4.25Å; W102-V381 HydrophobicContact CH2-CG1 4.48Å; W102-V381 HydrophobicContact CZ2-CG1 4.34Å; W102-V381 HydrophobicContact CZ3-CG1 4.24Å; W102-Y467 HydrophobicContact CB-CD2 4.5Å; W102-Y467 HydrophobicContact CB-CG 4.2Å; W102-Y467 AromaticContact CD1-CD1 3.94Å; W102-Y467 AromaticContact CD1-CD2 3.26Å; W102-Y467 AromaticContact CD1-CE2 3.36Å; W102-Y467 AromaticContact CD1-CG 3.57Å; W102-Y467 AromaticContact CD1-CZ 3.77Å; W102-Y467 HydrophobicContact CG-CD2 4.05Å; W102-Y467 HydrophobicContact CG-CE2 4.48Å; W102-Y467 HydrophobicContact CG-CG 4.19Å; W102-Y467 AromaticContact NE1-CD2 3.83Å; W102-Y467 AromaticContact NE1-CE2 3.55Å; W102-Y467 VanDerWaalsContact O-CD1 3.27Å; W102-Y467 WeakPolarHBondContact O-CD1 3.33Å
103	E	97.8	Very high	96.8	Very high	34 Å²	34	48 Å²	48	16%	0.159	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-74.8	-15.2	177.8	-56.1	-168.4	85.7	0	0	112.6	R84 Q99 L100 W105 Y467	R84-E103 IonicContact CZ-OE1 3.72Å; R84-E103 IonicContact CZ-OE2 3.53Å; R84-E103 IonicContact NE-OE1 3.53Å; R84-E103 PolarHBondContact NE-OE1 2.67Å; R84-E103 IonicContact NE-OE2 3.56Å; R84-E103 PolarHBondContact NE-OE2 2.83Å; R84-E103 IonicContact NH2-OE1 3.59Å; R84-E103 PolarHBondContact NH2-OE1 3.07Å; R84-E103 IonicContact NH2-OE2 3.59Å; Q99-E103 HydrophobicContact CB-CB 4.16Å; Q99-E103 HydrophobicContact CG-CB 4.41Å; L100-E103 HydrophobicContact CB-CG 4.02Å; L100-E103 PolarHBondContact N-OE2 2.93Å; L100-E103 WeakPolarHBondContact O-CB 3.45Å; L100-E103 PolarHBondContact O-N 2.66Å; E103-W105 VanDerWaalsContact C-N 3.34Å; E103-Y467 HydrophobicContact CB-CE1 4.45Å; E103-Y467 HydrophobicContact CG-CE1 4.13Å
104	N	95.6	Very high	96.8	Very high	127 Å²	127	45.1 Å²	45.1	68%	0.679	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-94.3	12.7	172.3	-169.3	47.2	0	0	0	112.6	W102	W102-N104 PolarHBondContact O-N 2.9Å
105	W	98.2	Very high	96.8	Very high	23 Å²	23	41.8 Å²	41.8	9%	0.087	24%	0.239	C	C	.	.	S	Bend	trans	-77.4	155.7	177.6	-73.4	4	0	0	0	112.1	V101 W102 E103 V107 V365 L369 L379 V381 N469	V101-W105 PolarHBondContact O-NE1 3.14Å; W102-W105 HydrophobicContact CB-CD2 3.8Å; W102-W105 HydrophobicContact CB-CE3 3.98Å; W102-W105 HydrophobicContact CB-CG 4.33Å; W102-W105 HydrophobicContact CB-CH2 4.28Å; W102-W105 HydrophobicContact CB-CZ2 4.11Å; W102-W105 HydrophobicContact CB-CZ3 4.22Å; W102-W105 WeakPolarHBondContact O-CB 3.44Å; W102-W105 PolarHBondContact O-N 2.7Å; E103-W105 VanDerWaalsContact C-N 3.34Å; W105-V107 PolarHBondContact O-N 2.66Å; W105-V107 VanDerWaalsContact O-N 3.15Å; W105-V365 HydrophobicContact CH2-CG1 3.89Å; W105-V365 HydrophobicContact CZ2-CG1 3.49Å; W105-V365 VanDerWaalsContact CZ2-CG1 3.49Å; W105-L369 HydrophobicContact CZ2-CD1 4.2Å; W105-L369 HydrophobicContact CZ2-CD2 4.25Å; W105-L369 HydrophobicContact CZ2-CG 4.48Å; W105-L379 HydrophobicContact CH2-CB 3.58Å; W105-L379 HydrophobicContact CZ2-CB 4.25Å; W105-L379 HydrophobicContact CZ3-CB 4Å; W105-V381 HydrophobicContact CH2-CG2 3.51Å; W105-V381 HydrophobicContact CZ2-CG2 4.42Å; W105-V381 HydrophobicContact CZ3-CB 4.27Å; W105-V381 HydrophobicContact CZ3-CG2 3.67Å; W105-N469 HydrophobicContact CB-CB 4.19Å; W105-N469 HydrophobicContact CD2-CB 3.47Å; W105-N469 VanDerWaalsContact CD2-CB 3.47Å; W105-N469 HydrophobicContact CE3-CB 3.7Å; W105-N469 HydrophobicContact CG-CB 3.71Å; W105-N469 HydrophobicContact CZ2-CB 4.4Å; W105-N469 HydrophobicContact CZ3-CB 4.25Å
106	P	96.6	Very high	96.9	Very high	94 Å²	94	42.5 Å²	42.5	61%	0.61	24%	0.242	S	C	*	.	S	Bend	trans	-64.6	-20.8	-174.9	25.4	-35.8	0	0	0	113.9
107	V	97.8	Very high	97.3	Very high	11 Å²	11	45 Å²	45	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.8	-179.3	171.8	0	0	0	0	110.5	W105 Y467 A468 F476 H477	W105-V107 PolarHBondContact O-N 2.66Å; W105-V107 VanDerWaalsContact O-N 3.15Å; V107-Y467 CarbonylContact O-C 3.48Å; V107-Y467 VanDerWaalsContact O-CA 3.29Å; V107-Y467 WeakPolarHBondContact O-CA 3.33Å; V107-A468 HydrophobicContact CB-CB 4.07Å; V107-A468 HydrophobicContact CG1-CB 4.13Å; V107-A468 PolarHBondContact N-O 3.42Å; V107-A468 PolarHBondContact O-N 2.88Å; V107-F476 VanDerWaalsContact CG1-C 3.5Å; V107-F476 HydrophobicContact CG1-CB 3.98Å; V107-F476 WeakPolarHBondContact CG1-O 3.38Å; V107-H477 HydrophobicContact CG1-CB 4.42Å
108	A	98.1	Very high	97.3	Very high	64 Å²	64	46.6 Å²	46.6	53%	0.529	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.6	169.4	0	0	0	0	0	109.4	I466 Y467	A108-I466 CarbonylContact C-O 3.56Å; A108-I466 WeakPolarHBondContact CA-O 3.41Å; A108-Y467 HydrophobicContact CB-CD1 3.63Å; A108-Y467 HydrophobicContact CB-CE1 3.81Å
109	S	98.2	Very high	97.3	Very high	19 Å²	19	52.8 Å²	52.8	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-171.9	-175.9	-173.6	0	0	0	0	110.8	P465 I466 F476 S478 S479	S109-P465 WeakPolarHBondContact O-CA 3.13Å; S109-I466 PolarHBondContact N-O 3.34Å; S109-I466 PolarHBondContact O-N 2.91Å; S109-F476 WeakPolarHBondContact CB-O 3.45Å; S109-F476 PolarHBondContact OG-O 3.3Å; S109-S478 WeakPolarHBondContact OG-CA 3.36Å; S109-S478 PolarHBondContact OG-N 3.28Å; S109-S478 PolarHBondContact OG-O 2.64Å; S109-S478 VanDerWaalsContact OG-O 3.04Å; S109-S479 PolarHBondContact OG-N 2.75Å
110	L	98.6	Very high	97.3	Very high	67 Å²	67	50 Å²	50	35%	0.351	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146	-177.3	-63.3	178.4	0	0	0	111.7	L77 D463 V464 S479 L480	L77-L110 HydrophobicContact CD1-CD2 4.04Å; L77-L110 HydrophobicContact CD2-CD2 4.3Å; L110-D463 HydrophobicContact CB-CB 3.98Å; L110-V464 CarbonylContact C-O 3.47Å; L110-V464 WeakPolarHBondContact CA-O 3.2Å; L110-S479 VanDerWaalsContact O-CA 3.26Å; L110-S479 WeakPolarHBondContact O-CA 3.35Å; L110-L480 PolarHBondContact O-N 3.3Å
111	V	98.7	Very high	97.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.3	-178.4	-176.6	0	0	0	0	110.3	T113 D463 V464 I466 L480 N482 I485	V111-T113 HydrophobicContact CG1-CG2 4.48Å; V111-D463 CarbonylContact O-C 3.13Å; V111-D463 VanDerWaalsContact O-CA 3.26Å; V111-D463 WeakPolarHBondContact O-CA 3.41Å; V111-V464 HydrophobicContact CB-CG2 3.86Å; V111-V464 HydrophobicContact CG1-CG2 4.49Å; V111-V464 PolarHBondContact N-O 2.93Å; V111-V464 PolarHBondContact O-N 2.63Å; V111-I466 HydrophobicContact CG2-CB 3.51Å; V111-I466 HydrophobicContact CG2-CD1 4.15Å; V111-I466 HydrophobicContact CG2-CG1 4.46Å; V111-I466 HydrophobicContact CG2-CG2 3.36Å; V111-L480 WeakPolarHBondContact CA-O 3.39Å; V111-L480 HydrophobicContact CB-CD1 4.37Å; V111-L480 HydrophobicContact CG1-CD1 4Å; V111-L480 HydrophobicContact CG2-CD1 3.69Å; V111-L480 HydrophobicContact CG2-CG 4.07Å; V111-N482 VanDerWaalsContact CG1-CA 3.48Å; V111-N482 HydrophobicContact CG1-CB 3.58Å; V111-I485 HydrophobicContact CG1-CD1 4.37Å
112	R	98.1	Very high	97.3	Very high	80 Å²	80	48.3 Å²	48.3	30%	0.302	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.2	171.7	-64.7	175.4	-63.3	90	-4	110.3	F114 D463 L480 D481 N482	R112-F114 HydrophobicContact CB-CD1 4.47Å; R112-D463 VanDerWaalsContact CG-OD1 3.3Å; R112-D463 WeakPolarHBondContact CG-OD1 3.35Å; R112-L480 PolarHBondContact N-O 3.4Å; R112-D481 IonicContact CZ-OD2 2.79Å; R112-D481 IonicContact NH1-OD2 3.12Å; R112-D481 PolarHBondContact NH1-OD2 3.07Å; R112-D481 VanDerWaalsContact NH2-CB 3.29Å; R112-D481 IonicContact NH2-OD2 2.57Å; R112-N482 PolarHBondContact O-N 3.28Å
113	T	98.3	Very high	97.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	26%	0.257	C	S	.	.			trans	-116.3	-3.9	-166.4	56.2	0	0	0	0	115.6	V111 T121 D384 V464 N482	V111-T113 HydrophobicContact CG1-CG2 4.48Å; T113-T121 WeakPolarHBondContact O-CB 3.43Å; T113-T121 WeakPolarHBondContact O-CG2 3.37Å; T113-D384 VanDerWaalsContact CB-O 3.28Å; T113-D384 WeakPolarHBondContact CB-O 3.17Å; T113-D384 WeakPolarHBondContact CG2-O 3.41Å; T113-V464 HydrophobicContact CG2-CB 4.47Å; T113-V464 HydrophobicContact CG2-CG1 4.06Å; T113-V464 HydrophobicContact CG2-CG2 3.62Å; T113-N482 WeakPolarHBondContact CA-ND2 3.1Å; T113-N482 PolarHBondContact O-ND2 3.26Å
114	F	97.5	Very high	97.4	Very high	52 Å²	52	46.7 Å²	46.7	23%	0.228	25%	0.249	C	C	.	.			trans	-48.3	154	-180	75.9	-100.8	0	0	0	113.5	V35 W41 R112 L119 K135	V35-F114 HydrophobicContact CG1-CE2 3.88Å; V35-F114 HydrophobicContact CG2-CE2 4.21Å; W41-F114 HydrophobicContact CH2-CE2 4.39Å; W41-F114 AromaticContact CH2-CZ 3.95Å; W41-F114 HydrophobicContact CH2-CZ 3.95Å; R112-F114 HydrophobicContact CB-CD1 4.47Å; F114-L119 WeakPolarHBondContact CB-O 3.16Å; F114-K135 WeakPolarHBondContact O-CD 3.44Å; F114-K135 WeakPolarHBondContact O-CE 3.33Å; F114-K135 PolarHBondContact O-NZ 2.92Å
115	N	96.1	Very high	97.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	22%	0.217	C	C	.	.			trans	-109.8	-173.9	-179.3	76.5	1.6	0	0	0	111.9	D117 R118 S125 G136 F138	N115-D117 PolarHBondContact O-N 3.2Å; N115-D117 VanDerWaalsContact O-N 3.12Å; N115-D117 PolarHBondContact OD1-N 3.48Å; N115-D117 PolarHBondContact OD1-OD1 3.12Å; N115-D117 VanDerWaalsContact OD1-OD1 3.12Å; N115-R118 PolarHBondContact N-O 3.44Å; N115-R118 WeakPolarHBondContact OD1-CA 3.42Å; N115-R118 VanDerWaalsContact OD1-CB 3.3Å; N115-R118 WeakPolarHBondContact OD1-CB 3.07Å; N115-R118 PolarHBondContact OD1-N 2.98Å; N115-R118 PolarHBondContact OD1-O 2.91Å; N115-S125 PolarHBondContact ND2-OG 3.3Å; N115-G136 WeakPolarHBondContact CB-O 3.34Å; N115-F138 WeakPolarHBondContact ND2-CA 3.38Å; N115-F138 WeakPolarHBondContact ND2-CB 3.16Å; N115-F138 PolarHBondContact ND2-N 3.2Å; N115-F138 VanDerWaalsContact ND2-N 3.15Å
116	S	95.2	Very high	97.5	Very high	29 Å²	29	39.6 Å²	39.6	20%	0.203	21%	0.213	C	C	.	.	S	Bend	trans	-66.5	-20.6	-169.1	65.1	0	0	0	0	115.2	G136 P137	S116-G136 PolarHBondContact N-O 2.85Å; S116-G136 VanDerWaalsContact OG-C 3.23Å; S116-G136 PolarHBondContact OG-O 3.48Å; S116-P137 WeakPolarHBondContact OG-CA 3.33Å; S116-P137 VanDerWaalsContact OG-N 3.14Å
117	D	94.7	Very high	97.6	Very high	94 Å²	94	35.1 Å²	35.1	50%	0.503	18%	0.184	S	C	.	.	S	Bend	trans	-132.7	-0.7	-171.7	66.5	-25.3	0	0	0	114.8	N115 F138	N115-D117 PolarHBondContact O-N 3.2Å; N115-D117 VanDerWaalsContact O-N 3.12Å; N115-D117 PolarHBondContact OD1-N 3.48Å; N115-D117 PolarHBondContact OD1-OD1 3.12Å; N115-D117 VanDerWaalsContact OD1-OD1 3.12Å; D117-F138 PolarHBondContact OD1-N 3.42Å
118	R	95.4	Very high	97.7	Very high	123 Å²	123	34.6 Å²	34.6	46%	0.464	18%	0.181	S	C	.	.			trans	-141.7	148.4	179.1	-56.4	-159.5	-174.5	176.8	1.7	113.3	N115 T120 F138	N115-R118 PolarHBondContact N-O 3.44Å; N115-R118 WeakPolarHBondContact OD1-CA 3.42Å; N115-R118 VanDerWaalsContact OD1-CB 3.3Å; N115-R118 WeakPolarHBondContact OD1-CB 3.07Å; N115-R118 PolarHBondContact OD1-N 2.98Å; N115-R118 PolarHBondContact OD1-O 2.91Å; R118-T120 VanDerWaalsContact C-N 3.33Å; R118-T120 WeakPolarHBondContact CB-O 3.35Å; R118-F138 VanDerWaalsContact CD-CD2 3.49Å; R118-F138 HydrophobicContact CG-CB 4.15Å; R118-F138 HydrophobicContact CG-CD2 4.3Å; R118-F138 HydrophobicContact CG-CG 4.43Å; R118-F138 VanDerWaalsContact NH1-CD1 3.28Å; R118-F138 VanDerWaalsContact NH2-CD1 3.32Å
119	L	96.1	Very high	97.7	Very high	144 Å²	144	31.6 Å²	31.6	75%	0.754	16%	0.156	S	C	*	.	S	Bend	trans	-66.5	-36.4	172.9	-63	177.3	0	0	0	112.1	F114 A461	F114-L119 WeakPolarHBondContact CB-O 3.16Å; L119-A461 WeakPolarHBondContact O-CB 3.45Å
120	T	98.2	Very high	97.7	Very high	46 Å²	46	30.7 Å²	30.7	28%	0.282	15%	0.15	S	C	.	.	S	Bend	trans	-105.6	120.1	175.6	-47.4	0	0	0	0	108.9	R118 H459	R118-T120 VanDerWaalsContact C-N 3.33Å; R118-T120 WeakPolarHBondContact CB-O 3.35Å; T120-H459 HydrophobicContact CG2-CB 3.56Å
121	T	98.2	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.			trans	-78.8	159.2	176	-169.4	0	0	0	0	111.7	T113 S125 A126 H385 H459	T113-T121 WeakPolarHBondContact O-CB 3.43Å; T113-T121 WeakPolarHBondContact O-CG2 3.37Å; T121-S125 WeakPolarHBondContact OG1-CB 3.3Å; T121-A126 HydrophobicContact CG2-CB 3.7Å; T121-A126 PolarHBondContact OG1-N 2.94Å; T121-H385 HydrophobicContact CG2-CB 3.68Å; T121-H459 PolarHBondContact O-ND1 3.38Å
122	D	98.1	Very high	97.7	Very high	3 Å²	3	28 Å²	28	2%	0.016	14%	0.136	C	C	.	.			trans	-95.2	165.6	158.8	76.7	-41.6	0	0	0	110.2	G124 S125 A126 F138 N139 R198	D122-G124 VanDerWaalsContact C-N 3.31Å; D122-G124 PolarHBondContact O-N 2.97Å; D122-S125 PolarHBondContact O-N 3.38Å; D122-S125 WeakPolarHBondContact OD1-CB 3.2Å; D122-S125 PolarHBondContact OD1-N 2.99Å; D122-S125 PolarHBondContact OD1-OG 3.1Å; D122-A126 WeakPolarHBondContact O-CB 3.29Å; D122-A126 PolarHBondContact O-N 3.47Å; D122-F138 HydrophobicContact CB-CD2 3.92Å; D122-F138 HydrophobicContact CB-CE2 3.58Å; D122-F138 HydrophobicContact CB-CZ 4.04Å; D122-N139 WeakPolarHBondContact OD2-CA 3.45Å; D122-N139 PolarHBondContact OD2-N 3.31Å; D122-R198 VanDerWaalsContact CG-NH1 3.26Å; D122-R198 WeakPolarHBondContact OD2-CD 3.12Å; D122-R198 IonicContact OD2-CZ 3.66Å; D122-R198 IonicContact OD2-NE 3.82Å; D122-R198 IonicContact OD2-NH1 2.65Å; D122-R198 PolarHBondContact OD2-NH1 3.1Å
123	S	98.6	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.7	-39.2	-179	-18	0	0	0	0	113.8	A126 A127 T187 R198 D384 H385	S123-A126 PolarHBondContact O-N 3Å; S123-A127 WeakPolarHBondContact O-CB 3.27Å; S123-A127 PolarHBondContact O-N 3.49Å; S123-T187 VanDerWaalsContact CB-OG1 3.22Å; S123-T187 WeakPolarHBondContact CB-OG1 3.42Å; S123-R198 PolarHBondContact OG-NH2 2.77Å; S123-R198 VanDerWaalsContact OG-NH2 3.16Å; S123-D384 VanDerWaalsContact CA-OD2 3.25Å; S123-D384 WeakPolarHBondContact CA-OD2 3.2Å; S123-D384 WeakPolarHBondContact CB-OD2 3.37Å; S123-H385 PolarHBondContact OG-NE2 2.98Å
124	G	98.4	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-46.1	179.8	0	0	0	0	0	113.7	D122 T128 T140	D122-G124 VanDerWaalsContact C-N 3.31Å; D122-G124 PolarHBondContact O-N 2.97Å; G124-T128 PolarHBondContact O-N 2.9Å; G124-T128 PolarHBondContact O-OG1 2.82Å; G124-T140 CarbonylContact C-O 3.36Å; G124-T140 WeakPolarHBondContact CA-O 3.47Å
125	S	98.1	Very high	97.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-70.5	-36.6	177.3	-54.7	0	0	0	0	112	N115 T121 D122 T128 A129 P137 F138 T140	N115-S125 PolarHBondContact ND2-OG 3.3Å; T121-S125 WeakPolarHBondContact OG1-CB 3.3Å; D122-S125 PolarHBondContact O-N 3.38Å; D122-S125 WeakPolarHBondContact OD1-CB 3.2Å; D122-S125 PolarHBondContact OD1-N 2.99Å; D122-S125 PolarHBondContact OD1-OG 3.1Å; S125-T128 WeakPolarHBondContact O-CB 3.39Å; S125-T128 PolarHBondContact O-N 2.92Å; S125-A129 PolarHBondContact O-N 3.4Å; S125-A129 VanDerWaalsContact O-N 3.11Å; S125-P137 VanDerWaalsContact OG-C 3.29Å; S125-P137 PolarHBondContact OG-O 3.1Å; S125-F138 WeakPolarHBondContact OG-CA 3.35Å; S125-T140 PolarHBondContact N-O 3.22Å
126	A	98.7	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-48.6	176.1	0	0	0	0	0	111.1	T121 D122 S123 T128 A129 F130 D384	T121-A126 HydrophobicContact CG2-CB 3.7Å; T121-A126 PolarHBondContact OG1-N 2.94Å; D122-A126 WeakPolarHBondContact O-CB 3.29Å; D122-A126 PolarHBondContact O-N 3.47Å; S123-A126 PolarHBondContact O-N 3Å; A126-T128 VanDerWaalsContact C-N 3.32Å; A126-T128 PolarHBondContact O-N 2.95Å; A126-A129 WeakPolarHBondContact O-CA 3.21Å; A126-A129 WeakPolarHBondContact O-CB 3.33Å; A126-A129 PolarHBondContact O-N 3.37Å; A126-F130 WeakPolarHBondContact O-CD1 3.28Å; A126-F130 PolarHBondContact O-N 3.2Å; A126-D384 HydrophobicContact CB-CB 3.75Å; A126-D384 VanDerWaalsContact CB-O 3.31Å; A126-D384 WeakPolarHBondContact CB-O 3.23Å
127	A	98.8	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-39.6	176.1	0	0	0	0	0	112.7	S123 A129 F130 M131 T187 A190	S123-A127 WeakPolarHBondContact O-CB 3.27Å; S123-A127 PolarHBondContact O-N 3.49Å; A127-A129 VanDerWaalsContact C-N 3.27Å; A127-A129 PolarHBondContact O-N 2.97Å; A127-F130 VanDerWaalsContact CA-CZ 3.5Å; A127-F130 HydrophobicContact CB-CE1 3.86Å; A127-F130 HydrophobicContact CB-CE2 4.48Å; A127-F130 HydrophobicContact CB-CZ 3.74Å; A127-M131 HydrophobicContact CB-CE 4.01Å; A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 VanDerWaalsContact O-CG 3.24Å; A127-M131 WeakPolarHBondContact O-CG 3.48Å; A127-M131 PolarHBondContact O-N 2.93Å; A127-T187 HydrophobicContact CB-CG2 4.27Å; A127-A190 HydrophobicContact CB-CB 3.43Å; A127-A190 VanDerWaalsContact CB-CB 3.43Å
128	T	98.7	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.4	-43.9	171	-57	0	0	0	0	111.5	G124 S125 A126 S132 V134 G142 A161	G124-T128 PolarHBondContact O-N 2.9Å; G124-T128 PolarHBondContact O-OG1 2.82Å; S125-T128 WeakPolarHBondContact O-CB 3.39Å; S125-T128 PolarHBondContact O-N 2.92Å; A126-T128 VanDerWaalsContact C-N 3.32Å; A126-T128 PolarHBondContact O-N 2.95Å; T128-S132 WeakPolarHBondContact O-CA 3.26Å; T128-S132 WeakPolarHBondContact O-CB 3.42Å; T128-S132 PolarHBondContact O-N 2.93Å; T128-S132 PolarHBondContact O-OG 3.45Å; T128-V134 HydrophobicContact CG2-CG2 4.16Å; T128-G142 PolarHBondContact OG1-N 3.4Å; T128-A161 HydrophobicContact CG2-CB 3.76Å
129	A	98.7	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-56.8	178.6	0	0	0	0	0	112.6	S125 A126 A127 M131 G133 V134 K135 N482 T483	S125-A129 PolarHBondContact O-N 3.4Å; S125-A129 VanDerWaalsContact O-N 3.11Å; A126-A129 WeakPolarHBondContact O-CA 3.21Å; A126-A129 WeakPolarHBondContact O-CB 3.33Å; A126-A129 PolarHBondContact O-N 3.37Å; A127-A129 VanDerWaalsContact C-N 3.27Å; A127-A129 PolarHBondContact O-N 2.97Å; A129-M131 VanDerWaalsContact C-N 3.28Å; A129-M131 PolarHBondContact O-N 2.78Å; A129-G133 WeakPolarHBondContact O-CA 3.31Å; A129-G133 PolarHBondContact O-N 3.32Å; A129-V134 WeakPolarHBondContact CA-O 3.49Å; A129-V134 PolarHBondContact N-O 3.01Å; A129-K135 HydrophobicContact CB-CD 4.25Å; A129-N482 HydrophobicContact CB-CB 4.46Å; A129-N482 VanDerWaalsContact CB-OD1 3.26Å; A129-N482 WeakPolarHBondContact CB-OD1 3.49Å; A129-T483 HydrophobicContact CB-CG2 3.84Å; A129-T483 WeakPolarHBondContact O-CA 3.38Å
130	F	98.7	Very high	98.1	Very high	1 Å²	1	8 Å²	8	0%	0.004	4%	0.044	C	C	.	.	H	α-helix	trans	-74.4	-15.6	-174.6	70.1	-112.7	0	0	0	114.3	L69 I71 A126 A127 T187 L336 D384 N482 I485 A486	L69-F130 HydrophobicContact CD2-CD2 3.75Å; L69-F130 HydrophobicContact CD2-CE2 4.09Å; I71-F130 HydrophobicContact CD1-CD1 4.45Å; I71-F130 HydrophobicContact CD1-CD2 4.07Å; I71-F130 HydrophobicContact CD1-CE1 4.12Å; I71-F130 HydrophobicContact CD1-CE2 3.71Å; I71-F130 HydrophobicContact CD1-CG 4.44Å; I71-F130 HydrophobicContact CD1-CZ 3.75Å; I71-F130 HydrophobicContact CG1-CE1 4.44Å; I71-F130 HydrophobicContact CG1-CE2 3.73Å; I71-F130 HydrophobicContact CG1-CZ 3.68Å; I71-F130 HydrophobicContact CG2-CZ 4.24Å; A126-F130 WeakPolarHBondContact O-CD1 3.28Å; A126-F130 PolarHBondContact O-N 3.2Å; A127-F130 VanDerWaalsContact CA-CZ 3.5Å; A127-F130 HydrophobicContact CB-CE1 3.86Å; A127-F130 HydrophobicContact CB-CE2 4.48Å; A127-F130 HydrophobicContact CB-CZ 3.74Å; F130-T187 HydrophobicContact CZ-CG2 4.06Å; F130-L336 HydrophobicContact CE2-CD1 4.25Å; F130-D384 HydrophobicContact CD1-CB 4.33Å; F130-D384 HydrophobicContact CE1-CB 3.59Å; F130-N482 VanDerWaalsContact CA-O 3.27Å; F130-N482 WeakPolarHBondContact CA-O 3.25Å; F130-N482 HydrophobicContact CB-CB 4.47Å; F130-I485 HydrophobicContact CB-CB 4.01Å; F130-I485 HydrophobicContact CB-CD1 3.82Å; F130-I485 HydrophobicContact CB-CG2 4.23Å; F130-A486 WeakPolarHBondContact O-CA 3.46Å; F130-A486 WeakPolarHBondContact O-CB 3.36Å; F130-A486 PolarHBondContact O-N 2.92Å
131	M	98.7	Very high	98.1	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.01	3%	0.031	C	C	.	.	H	α-helix	trans	-97.3	-31.5	174.5	-60.3	-171.5	-160.1	0	0	113.9	A127 A129 S163 S164 T187 A190 A191 L336 A486	A127-M131 HydrophobicContact CB-CE 4.01Å; A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 VanDerWaalsContact O-CG 3.24Å; A127-M131 WeakPolarHBondContact O-CG 3.48Å; A127-M131 PolarHBondContact O-N 2.93Å; A129-M131 VanDerWaalsContact C-N 3.28Å; A129-M131 PolarHBondContact O-N 2.78Å; M131-S163 CarbonylContact O-C 3.58Å; M131-S163 WeakPolarHBondContact O-CA 3Å; M131-S164 WeakPolarHBondContact O-CB 3.45Å; M131-S164 PolarHBondContact O-N 3.05Å; M131-S164 PolarHBondContact O-OG 3.04Å; M131-S164 VanDerWaalsContact O-OG 3.1Å; M131-T187 HydrophobicContact CE-CG2 4.4Å; M131-T187 WeakPolarHBondContact CE-O 3.39Å; M131-A190 HydrophobicContact CE-CB 4.37Å; M131-A190 HydrophobicContact SD-CB 4.06Å; M131-A191 VanDerWaalsContact SD-CA 3.52Å; M131-A191 HydrophobicContact SD-CB 3.71Å; M131-A191 PolarHBondContact SD-N 2.96Å; M131-A191 VanDerWaalsContact SD-N 3.36Å; M131-L336 HydrophobicContact CE-CD1 4.03Å; M131-L336 HydrophobicContact CE-CD2 3.24Å; M131-L336 HydrophobicContact CE-CG 4.28Å; M131-L336 HydrophobicContact SD-CD2 4.06Å; M131-A486 WeakPolarHBondContact O-CB 3.5Å
132	S	98.6	Very high	98.1	Very high	9 Å²	9	5.9 Å²	5.9	6%	0.063	3%	0.031	C	C	.	.	H	α-helix	trans	-118.3	-10.1	-171.8	-49.6	0	0	0	0	115	T128 K162 S163	T128-S132 WeakPolarHBondContact O-CA 3.26Å; T128-S132 WeakPolarHBondContact O-CB 3.42Å; T128-S132 PolarHBondContact O-N 2.93Å; T128-S132 PolarHBondContact O-OG 3.45Å; S132-K162 WeakPolarHBondContact CB-O 3.4Å; S132-K162 PolarHBondContact OG-O 3.42Å; S132-S163 WeakPolarHBondContact OG-CA 3.3Å; S132-S163 PolarHBondContact OG-N 2.98Å
133	G	98.3	Very high	98.1	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	S	Bend	trans	82.1	14.9	175	0	0	0	0	0	114.5	W41 A129 T483 H487	W41-G133 WeakPolarHBondContact CB-O 3.2Å; A129-G133 WeakPolarHBondContact O-CA 3.31Å; A129-G133 PolarHBondContact O-N 3.32Å; G133-T483 WeakPolarHBondContact CA-O 3.18Å; G133-H487 PolarHBondContact O-NE2 2.84Å; G133-H487 VanDerWaalsContact O-NE2 3.1Å
134	V	97.9	Very high	98	Very high	14 Å²	14	5.9 Å²	5.9	9%	0.085	3%	0.031	C	C	.	.	S	Bend	trans	-136.3	146.8	-175.7	-58.5	0	0	0	0	110.4	P38 T128 A129 T144 A161	P38-V134 HydrophobicContact CB-CG1 3.62Å; P38-V134 HydrophobicContact CG-CG1 3.96Å; T128-V134 HydrophobicContact CG2-CG2 4.16Å; A129-V134 WeakPolarHBondContact CA-O 3.49Å; A129-V134 PolarHBondContact N-O 3.01Å; V134-T144 HydrophobicContact CG2-CG2 4.03Å; V134-A161 HydrophobicContact CG2-CB 3.6Å
135	K	97.5	Very high	97.6	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.009	4%	0.038	C	C	.	.	P	Polyproline II helix	trans	-79.2	131.5	173.9	-60.9	-66.6	-169.3	172.2	0	109.9	V35 W41 F114 A129 T144 G145 D481 N482 T483	V35-K135 HydrophobicContact CG1-CB 4.19Å; V35-K135 HydrophobicContact CG1-CG 4.03Å; W41-K135 HydrophobicContact CD2-CG 4.38Å; W41-K135 VanDerWaalsContact CE2-CG 3.46Å; W41-K135 HydrophobicContact CH2-CG 4.19Å; W41-K135 HydrophobicContact CZ2-CD 4.19Å; W41-K135 HydrophobicContact CZ2-CG 3.36Å; F114-K135 WeakPolarHBondContact O-CD 3.44Å; F114-K135 WeakPolarHBondContact O-CE 3.33Å; F114-K135 PolarHBondContact O-NZ 2.92Å; A129-K135 HydrophobicContact CB-CD 4.25Å; K135-T144 CarbonylContact O-C 3.31Å; K135-G145 WeakPolarHBondContact O-CA 3.19Å; K135-G145 PolarHBondContact O-N 3.33Å; K135-D481 WeakPolarHBondContact CE-OD1 3.41Å; K135-D481 VanDerWaalsContact CE-OD2 3.3Å; K135-D481 WeakPolarHBondContact CE-OD2 3.21Å; K135-D481 IonicContact NZ-OD1 3.67Å; K135-D481 PolarHBondContact NZ-OD1 3.19Å; K135-D481 IonicContact NZ-OD2 3.16Å; K135-D481 PolarHBondContact NZ-OD2 3.27Å; K135-N482 PolarHBondContact NZ-OD1 2.92Å; K135-T483 HydrophobicContact CD-CG2 3.89Å; K135-T483 HydrophobicContact CG-CG2 4.12Å
136	G	97.4	Very high	97	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-101.3	163.4	166.7	0	0	0	0	0	112.2	N115 S116 I143	N115-G136 WeakPolarHBondContact CB-O 3.34Å; S116-G136 PolarHBondContact N-O 2.85Å; S116-G136 VanDerWaalsContact OG-C 3.23Å; S116-G136 PolarHBondContact OG-O 3.48Å; G136-I143 WeakPolarHBondContact CA-O 3.4Å
137	P	96.8	Very high	96.5	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.032	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-79.6	154.5	173.6	35.5	-38.7	0	0	0	111.5	S116 S125 T140 V147	S116-P137 WeakPolarHBondContact OG-CA 3.33Å; S116-P137 VanDerWaalsContact OG-N 3.14Å; S125-P137 VanDerWaalsContact OG-C 3.29Å; S125-P137 PolarHBondContact OG-O 3.1Å; P137-T140 VanDerWaalsContact CD-OG1 3.26Å; P137-T140 WeakPolarHBondContact CD-OG1 3.39Å; P137-T140 HydrophobicContact CG-CG2 3.65Å; P137-T140 WeakPolarHBondContact CG-OG1 3.5Å; P137-T140 PolarHBondContact O-N 3.29Å; P137-T140 PolarHBondContact O-OG1 2.79Å; P137-V147 WeakPolarHBondContact CG-O 3.33Å
138	F	96.9	Very high	95.9	Very high	42 Å²	42	19.4 Å²	19.4	18%	0.184	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	143.7	178.7	-167.6	-93.6	0	0	0	112.7	N115 D117 R118 D122 S125 T140 C149	N115-F138 WeakPolarHBondContact ND2-CA 3.38Å; N115-F138 WeakPolarHBondContact ND2-CB 3.16Å; N115-F138 PolarHBondContact ND2-N 3.2Å; N115-F138 VanDerWaalsContact ND2-N 3.15Å; D117-F138 PolarHBondContact OD1-N 3.42Å; R118-F138 VanDerWaalsContact CD-CD2 3.49Å; R118-F138 HydrophobicContact CG-CB 4.15Å; R118-F138 HydrophobicContact CG-CD2 4.3Å; R118-F138 HydrophobicContact CG-CG 4.43Å; R118-F138 VanDerWaalsContact NH1-CD1 3.28Å; R118-F138 VanDerWaalsContact NH2-CD1 3.32Å; D122-F138 HydrophobicContact CB-CD2 3.92Å; D122-F138 HydrophobicContact CB-CE2 3.58Å; D122-F138 HydrophobicContact CB-CZ 4.04Å; S125-F138 WeakPolarHBondContact OG-CA 3.35Å; F138-T140 VanDerWaalsContact C-N 3.26Å; F138-T140 PolarHBondContact O-N 3.22Å; F138-C149 WeakPolarHBondContact O-CB 3.34Å
139	N	97.1	Very high	95.3	Very high	44 Å²	44	21 Å²	21	24%	0.235	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	6.7	-177.3	-75.6	-9.4	0	0	0	116.1	D122 C149 H197 R198	D122-N139 WeakPolarHBondContact OD2-CA 3.45Å; D122-N139 PolarHBondContact OD2-N 3.31Å; N139-C149 VanDerWaalsContact CB-SG 3.53Å; N139-H197 CarbonylContact O-C 3.53Å; N139-H197 VanDerWaalsContact O-CA 3.25Å; N139-H197 WeakPolarHBondContact O-CA 3.33Å; N139-R198 PolarHBondContact O-N 2.98Å
140	T	98	Very high	94.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.			trans	-104.9	164.5	177.1	67.4	0	0	0	0	112.9	G124 S125 P137 F138 I143 C149	G124-T140 CarbonylContact C-O 3.36Å; G124-T140 WeakPolarHBondContact CA-O 3.47Å; S125-T140 PolarHBondContact N-O 3.22Å; P137-T140 VanDerWaalsContact CD-OG1 3.26Å; P137-T140 WeakPolarHBondContact CD-OG1 3.39Å; P137-T140 HydrophobicContact CG-CG2 3.65Å; P137-T140 WeakPolarHBondContact CG-OG1 3.5Å; P137-T140 PolarHBondContact O-N 3.29Å; P137-T140 PolarHBondContact O-OG1 2.79Å; F138-T140 VanDerWaalsContact C-N 3.26Å; F138-T140 PolarHBondContact O-N 3.22Å; T140-I143 HydrophobicContact CG2-CB 4.41Å; T140-I143 HydrophobicContact CG2-CG1 4.41Å; T140-C149 HydrophobicContact CG2-CB 3.73Å
141	V	98.3	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-133.2	123.6	177	173.9	0	0	0	0	108.5	I143 A186 A189 A190 N194 M195 R198	V141-I143 PolarHBondContact O-N 3.35Å; V141-A186 HydrophobicContact CG2-CB 4.11Å; V141-A189 HydrophobicContact CG1-CB 3.97Å; V141-A190 VanDerWaalsContact CG1-CA 3.46Å; V141-A190 HydrophobicContact CG1-CB 3.89Å; V141-A190 VanDerWaalsContact CG1-N 3.33Å; V141-N194 CarbonylContact O-C 3.4Å; V141-N194 WeakPolarHBondContact O-CA 3.22Å; V141-M195 HydrophobicContact CB-CB 4.27Å; V141-M195 HydrophobicContact CB-CE 3.66Å; V141-M195 HydrophobicContact CG1-CE 3.87Å; V141-M195 HydrophobicContact CG2-CE 3.68Å; V141-M195 PolarHBondContact N-O 3.09Å; V141-M195 PolarHBondContact O-N 3.03Å; V141-R198 HydrophobicContact CG2-CB 3.71Å
142	G	98.1	Very high	93.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	65	24.6	179.6	0	0	0	0	0	113.9	T128 A161 N194	T128-G142 PolarHBondContact OG1-N 3.4Å; G142-A161 WeakPolarHBondContact O-CB 3.15Å; G142-A161 PolarHBondContact O-N 3.29Å; G142-N194 PolarHBondContact O-ND2 3.41Å
143	I	97.4	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-111.1	135.7	179.6	-56.1	-59.6	0	0	0	109.3	G136 T140 V141 V147 L155 N194 M195 L196	G136-I143 WeakPolarHBondContact CA-O 3.4Å; T140-I143 HydrophobicContact CG2-CB 4.41Å; T140-I143 HydrophobicContact CG2-CG1 4.41Å; V141-I143 PolarHBondContact O-N 3.35Å; I143-V147 HydrophobicContact CG2-CB 3.82Å; I143-V147 HydrophobicContact CG2-CG2 4.2Å; I143-L155 HydrophobicContact CD1-CD1 3.41Å; I143-L155 VanDerWaalsContact CD1-CD1 3.41Å; I143-L155 HydrophobicContact CD1-CD2 4.09Å; I143-L155 HydrophobicContact CD1-CG 4.41Å; I143-N194 HydrophobicContact CD1-CB 4Å; I143-M195 VanDerWaalsContact CG1-O 3.25Å; I143-M195 WeakPolarHBondContact CG1-O 3.28Å; I143-L196 HydrophobicContact CD1-CD2 4.37Å; I143-L196 HydrophobicContact CG1-CD2 4.3Å; I143-L196 HydrophobicContact CG2-CD2 4.29Å
144	T	96.2	Very high	93.3	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	21%	0.206	C	C	.	.			trans	-73.5	157.4	173.3	66.1	0	0	0	0	111.4	P38 V134 K135 T146 V147 L158 E159 A161	P38-T144 HydrophobicContact CG-CG2 4.2Å; V134-T144 HydrophobicContact CG2-CG2 4.03Å; K135-T144 CarbonylContact O-C 3.31Å; T144-T146 PolarHBondContact O-N 3.49Å; T144-T146 PolarHBondContact OG1-OG1 3.04Å; T144-V147 PolarHBondContact O-N 3.18Å; T144-L158 VanDerWaalsContact CG2-O 3.28Å; T144-L158 WeakPolarHBondContact CG2-O 3.21Å; T144-L158 PolarHBondContact OG1-O 3.09Å; T144-E159 PolarHBondContact N-O 3.02Å; T144-E159 WeakPolarHBondContact OG1-CA 3.35Å; T144-E159 PolarHBondContact OG1-O 3.16Å; T144-A161 HydrophobicContact CG2-CB 4.27Å
145	G	90.8	Very high	93	Very high	14 Å²	14	39.1 Å²	39.1	14%	0.144	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-1.1	-178.4	0	0	0	0	0	115.4	A36 K135 V147	A36-G145 WeakPolarHBondContact CB-O 3.34Å; K135-G145 WeakPolarHBondContact O-CA 3.19Å; K135-G145 PolarHBondContact O-N 3.33Å; G145-V147 VanDerWaalsContact C-N 3.31Å
146	T	86.6	Confident	92.8	Very high	69 Å²	69	45.4 Å²	45.4	42%	0.423	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.7	179.4	64.9	0	0	0	0	113.5	T144 L158	T144-T146 PolarHBondContact O-N 3.49Å; T144-T146 PolarHBondContact OG1-OG1 3.04Å; T146-L158 HydrophobicContact CG2-CD1 4.22Å
147	V	87.4	Confident	92.6	Very high	21 Å²	21	50.6 Å²	50.6	13%	0.127	26%	0.257	C	S	.	.	S	Bend	trans	-113.4	153.3	-178.3	-170.3	0	0	0	0	110.1	P137 I143 T144 G145 L155 E159 L196	P137-V147 WeakPolarHBondContact CG-O 3.33Å; I143-V147 HydrophobicContact CG2-CB 3.82Å; I143-V147 HydrophobicContact CG2-CG2 4.2Å; T144-V147 PolarHBondContact O-N 3.18Å; G145-V147 VanDerWaalsContact C-N 3.31Å; V147-L155 HydrophobicContact CG1-CD2 4.41Å; V147-L155 HydrophobicContact CG2-CD2 4.28Å; V147-E159 HydrophobicContact CG2-CB 3.61Å; V147-E159 HydrophobicContact CG2-CG 3.45Å; V147-E159 VanDerWaalsContact CG2-CG 3.45Å; V147-L196 HydrophobicContact CB-CD2 4.48Å; V147-L196 HydrophobicContact CG1-CD2 3.6Å
148	K	86.2	Confident	92.3	Very high	180 Å²	180	55.6 Å²	55.6	78%	0.783	28%	0.283	S	S	*	.			trans	-95.5	138.8	171.3	-67.9	-174.8	178.2	-178.6	0	110.2
149	C	87	Confident	92.2	Very high	35 Å²	35	55 Å²	55	24%	0.236	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	150.4	156.8	-167.1	0	0	0	0	108.5	F138 N139 T140 L196	F138-C149 WeakPolarHBondContact O-CB 3.34Å; N139-C149 VanDerWaalsContact CB-SG 3.53Å; T140-C149 HydrophobicContact CG2-CB 3.73Å; C149-L196 PolarHBondContact SG-O 2.57Å
150	C	85.5	Confident	92.2	Very high	58 Å²	58	55.9 Å²	55.9	39%	0.392	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	cis	-144.9	37.2	13.9	-52.6	0	0	0	0	109.8	L196	C150-L196 WeakPolarHBondContact CA-O 3.3Å
151	E	89.7	Confident	92.1	Very high	137 Å²	137	56.3 Å²	56.3	64%	0.64	28%	0.284	S	S	*	.			trans	-98.8	130.1	-175	-68.5	-179.3	176.9	0	0	109.9	T153 L196	E151-T153 HydrophobicContact CB-CG2 4.39Å; E151-T153 PolarHBondContact O-N 3.1Å; E151-T153 PolarHBondContact O-OG1 3.06Å; E151-L196 WeakPolarHBondContact O-CD1 3.43Å
152	C	91.1	Very high	92	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.041	30%	0.302	C	S	.	.			trans	-68.5	111.6	176.3	171.9	0	0	0	0	110	W200 V204 N207 C213	C152-W200 HydrophobicContact CB-CH2 3.7Å; C152-W200 HydrophobicContact CB-CZ3 4.09Å; C152-V204 HydrophobicContact CB-CG1 4.21Å; C152-N207 HydrophobicContact CB-CB 4.27Å; C152-N207 WeakPolarHBondContact CB-ND2 3.38Å; C152-N207 PolarHBondContact O-ND2 2.76Å; C152-N207 PolarHBondContact SG-ND2 2.91Å; C152-C213 WeakPolarHBondContact CA-SG 3.48Å; C152-C213 HydrophobicContact CB-CB 4.08Å; C152-C213 WeakPolarHBondContact CB-SG 3.43Å; C152-C213 WeakPolarHBondContact SG-CB 3.23Å; C152-C213 PolarHBondContact SG-N 3.45Å; C152-C213 CovalentContact SG-SG 2.04Å; C152-C213 PolarHBondContact SG-SG 3.42Å
153	T	91.5	Very high	92.1	Very high	47 Å²	47	60.6 Å²	60.6	29%	0.288	30%	0.303	S	S	.	.			trans	-139.6	157.5	-178.6	52.1	0	0	0	0	110.2	E151 L155 L196 F211	E151-T153 HydrophobicContact CB-CG2 4.39Å; E151-T153 PolarHBondContact O-N 3.1Å; E151-T153 PolarHBondContact O-OG1 3.06Å; T153-L155 PolarHBondContact O-N 3.49Å; T153-L196 WeakPolarHBondContact OG1-CD1 3.27Å; T153-F211 VanDerWaalsContact C-CD1 3.48Å; T153-F211 WeakPolarHBondContact O-CE1 3.33Å
154	E	91.3	Very high	92.1	Very high	143 Å²	143	60.9 Å²	60.9	67%	0.668	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-69.5	122.5	175.2	-174.3	173.7	-165.1	0	0	110.2	F211	E154-F211 HydrophobicContact CB-CD1 4.25Å; E154-F211 HydrophobicContact CB-CD2 3.65Å; E154-F211 HydrophobicContact CB-CE1 4.29Å; E154-F211 HydrophobicContact CB-CE2 3.7Å; E154-F211 HydrophobicContact CB-CG 3.93Å; E154-F211 HydrophobicContact CB-CZ 4.03Å; E154-F211 HydrophobicContact CG-CD2 4.01Å; E154-F211 HydrophobicContact CG-CE2 3.64Å; E154-F211 HydrophobicContact CG-CZ 4.09Å
155	L	92.1	Very high	92.2	Very high	14 Å²	14	60.9 Å²	60.9	7%	0.073	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-85.1	140.7	176.9	-65.6	166.6	0	0	0	111	I143 V147 T153 E159 R160 N194 L196	I143-L155 HydrophobicContact CD1-CD1 3.41Å; I143-L155 VanDerWaalsContact CD1-CD1 3.41Å; I143-L155 HydrophobicContact CD1-CD2 4.09Å; I143-L155 HydrophobicContact CD1-CG 4.41Å; V147-L155 HydrophobicContact CG1-CD2 4.41Å; V147-L155 HydrophobicContact CG2-CD2 4.28Å; T153-L155 PolarHBondContact O-N 3.49Å; L155-E159 WeakPolarHBondContact CA-OE2 3.2Å; L155-E159 HydrophobicContact CD2-CB 4.04Å; L155-R160 HydrophobicContact CB-CG 4.08Å; L155-R160 HydrophobicContact CD1-CG 4.27Å; L155-R160 PolarHBondContact O-NH1 2.75Å; L155-R160 PolarHBondContact O-NH2 2.64Å; L155-N194 HydrophobicContact CD1-CB 4.25Å; L155-L196 HydrophobicContact CD2-CD1 4.13Å; L155-L196 HydrophobicContact CD2-CD2 3.99Å; L155-L196 HydrophobicContact CD2-CG 4.23Å; L155-L196 HydrophobicContact CG-CD1 4.3Å
156	K	93.7	Very high	92.6	Very high	135 Å²	135	62 Å²	62	59%	0.587	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-80.3	159.8	165	-61.7	172.2	-169.7	152.5	0	110.4	L158 E159 R160	K156-L158 VanDerWaalsContact C-N 3.27Å; K156-L158 PolarHBondContact O-N 3.23Å; K156-E159 HydrophobicContact CB-CG 4.14Å; K156-E159 PolarHBondContact N-OE2 3.15Å; K156-E159 IonicContact NZ-OE1 3.6Å; K156-E159 WeakPolarHBondContact O-CB 3.43Å; K156-E159 PolarHBondContact O-N 3.46Å; K156-R160 PolarHBondContact O-N 2.99Å
157	E	92.3	Very high	93.1	Very high	108 Å²	108	61.7 Å²	61.7	51%	0.505	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.1	178.1	-76.5	-57.9	105	0	0	114	E159 R160 K162	E157-E159 PolarHBondContact O-N 3.33Å; E157-R160 PolarHBondContact O-N 3.22Å; E157-R160 IonicContact OE1-CZ 3.36Å; E157-R160 IonicContact OE1-NE 2.75Å; E157-R160 IonicContact OE1-NH1 2.78Å; E157-R160 PolarHBondContact OE1-NH1 3.41Å; E157-K162 IonicContact OE2-NZ 2.64Å; E157-K162 PolarHBondContact OE2-NZ 3.17Å
158	L	91.6	Very high	93.7	Very high	111 Å²	111	60.7 Å²	60.7	58%	0.581	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.4	176.6	92.1	84.8	0	0	0	112.2	T144 T146 K156 R160	T144-L158 VanDerWaalsContact CG2-O 3.28Å; T144-L158 WeakPolarHBondContact CG2-O 3.21Å; T144-L158 PolarHBondContact OG1-O 3.09Å; T146-L158 HydrophobicContact CG2-CD1 4.22Å; K156-L158 VanDerWaalsContact C-N 3.27Å; K156-L158 PolarHBondContact O-N 3.23Å; L158-R160 VanDerWaalsContact C-N 3.32Å
159	E	95.2	Very high	94.2	Very high	30 Å²	30	53.2 Å²	53.2	14%	0.14	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-21.4	-176.5	-67	166.1	176.8	0	0	111.4	T144 V147 L155 K156 E157	T144-E159 PolarHBondContact N-O 3.02Å; T144-E159 WeakPolarHBondContact OG1-CA 3.35Å; T144-E159 PolarHBondContact OG1-O 3.16Å; V147-E159 HydrophobicContact CG2-CB 3.61Å; V147-E159 HydrophobicContact CG2-CG 3.45Å; V147-E159 VanDerWaalsContact CG2-CG 3.45Å; L155-E159 WeakPolarHBondContact CA-OE2 3.2Å; L155-E159 HydrophobicContact CD2-CB 4.04Å; K156-E159 HydrophobicContact CB-CG 4.14Å; K156-E159 PolarHBondContact N-OE2 3.15Å; K156-E159 IonicContact NZ-OE1 3.6Å; K156-E159 WeakPolarHBondContact O-CB 3.43Å; K156-E159 PolarHBondContact O-N 3.46Å; E157-E159 PolarHBondContact O-N 3.33Å
160	R	96.2	Very high	94.7	Very high	62 Å²	62	60.6 Å²	60.6	23%	0.234	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-83.7	113.5	175	-64.5	-176	179.4	84.4	12.3	110.7	L155 K156 E157 L158 N194	L155-R160 HydrophobicContact CB-CG 4.08Å; L155-R160 HydrophobicContact CD1-CG 4.27Å; L155-R160 PolarHBondContact O-NH1 2.75Å; L155-R160 PolarHBondContact O-NH2 2.64Å; K156-R160 PolarHBondContact O-N 2.99Å; E157-R160 PolarHBondContact O-N 3.22Å; E157-R160 IonicContact OE1-CZ 3.36Å; E157-R160 IonicContact OE1-NE 2.75Å; E157-R160 IonicContact OE1-NH1 2.78Å; E157-R160 PolarHBondContact OE1-NH1 3.41Å; L158-R160 VanDerWaalsContact C-N 3.32Å; R160-N194 HydrophobicContact CG-CB 4.19Å
161	A	97	Very high	95.3	Very high	9 Å²	9	59.4 Å²	59.4	7%	0.074	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-71.8	129.4	169.5	0	0	0	0	0	109.6	T128 V134 G142 T144 N194	T128-A161 HydrophobicContact CG2-CB 3.76Å; V134-A161 HydrophobicContact CG2-CB 3.6Å; G142-A161 WeakPolarHBondContact O-CB 3.15Å; G142-A161 PolarHBondContact O-N 3.29Å; T144-A161 HydrophobicContact CG2-CB 4.27Å; A161-N194 PolarHBondContact O-ND2 3.05Å
162	K	96	Very high	95.7	Very high	88 Å²	88	54.8 Å²	54.8	38%	0.383	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-102.2	118.2	178.7	-68.6	176.9	-177.4	173.9	0	108.9	S132 E157 Y167	S132-K162 WeakPolarHBondContact CB-O 3.4Å; S132-K162 PolarHBondContact OG-O 3.42Å; E157-K162 IonicContact OE2-NZ 2.64Å; E157-K162 PolarHBondContact OE2-NZ 3.17Å; K162-Y167 HydrophobicContact CB-CD2 4.39Å; K162-Y167 HydrophobicContact CB-CE2 3.62Å; K162-Y167 WeakPolarHBondContact O-CE2 3.26Å
163	S	98.4	Very high	96.1	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-70.6	153.5	-178	78.3	0	0	0	0	112	M131 S132 I165 M166 Y167 A191	M131-S163 CarbonylContact O-C 3.58Å; M131-S163 WeakPolarHBondContact O-CA 3Å; S132-S163 WeakPolarHBondContact OG-CA 3.3Å; S132-S163 PolarHBondContact OG-N 2.98Å; S163-I165 PolarHBondContact O-N 3.27Å; S163-I165 PolarHBondContact OG-N 2.98Å; S163-M166 PolarHBondContact O-N 3.49Å; S163-M166 VanDerWaalsContact O-N 3.09Å; S163-M166 WeakPolarHBondContact OG-CG 3.46Å; S163-M166 PolarHBondContact OG-N 3.27Å; S163-Y167 VanDerWaalsContact O-CD2 3.28Å; S163-Y167 WeakPolarHBondContact O-CD2 3.5Å; S163-Y167 PolarHBondContact O-N 2.79Å; S163-A191 WeakPolarHBondContact CB-O 3.4Å; S163-A191 PolarHBondContact OG-O 2.88Å
164	S	98.6	Very high	96.4	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-57.6	-31.6	169.6	52.7	0	0	0	0	112.3	M131 Y167 A168	M131-S164 WeakPolarHBondContact O-CB 3.45Å; M131-S164 PolarHBondContact O-N 3.05Å; M131-S164 PolarHBondContact O-OG 3.04Å; M131-S164 VanDerWaalsContact O-OG 3.1Å; S164-Y167 PolarHBondContact O-N 2.83Å; S164-A168 WeakPolarHBondContact O-CB 3.38Å; S164-A168 PolarHBondContact O-N 3.17Å
165	I	98.7	Very high	96.8	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-45.9	172.6	-66.6	-77.8	0	0	0	110.9	S163 A168 S169 T175 A191 V227 L334 L336	S163-I165 PolarHBondContact O-N 3.27Å; S163-I165 PolarHBondContact OG-N 2.98Å; I165-A168 PolarHBondContact O-N 2.97Å; I165-S169 WeakPolarHBondContact O-CB 3.4Å; I165-S169 PolarHBondContact O-N 3.32Å; I165-T175 HydrophobicContact CG2-CG2 4.42Å; I165-A191 HydrophobicContact CB-CB 4.37Å; I165-A191 HydrophobicContact CG1-CB 4.26Å; I165-A191 HydrophobicContact CG2-CB 4.5Å; I165-V227 HydrophobicContact CG2-CG2 4.16Å; I165-L334 HydrophobicContact CD1-CB 4.36Å; I165-L334 HydrophobicContact CD1-CD2 3.81Å; I165-L334 HydrophobicContact CD1-CG 3.62Å; I165-L334 HydrophobicContact CG1-CD2 4.12Å; I165-L334 HydrophobicContact CG1-CG 4.44Å; I165-L336 HydrophobicContact CD1-CB 4.47Å
166	M	98.1	Very high	97.1	Very high	39 Å²	39	45.7 Å²	45.7	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-39.4	176.9	-65.6	-62.7	96	0	0	111.9	S163 K170 A191 N223 A224 V227	S163-M166 PolarHBondContact O-N 3.49Å; S163-M166 VanDerWaalsContact O-N 3.09Å; S163-M166 WeakPolarHBondContact OG-CG 3.46Å; S163-M166 PolarHBondContact OG-N 3.27Å; M166-K170 WeakPolarHBondContact O-CB 3.43Å; M166-K170 PolarHBondContact O-N 3.3Å; M166-A191 WeakPolarHBondContact CG-O 3.48Å; M166-N223 HydrophobicContact SD-CB 4.48Å; M166-N223 VanDerWaalsContact SD-O 3.34Å; M166-A224 HydrophobicContact CE-CB 4.32Å; M166-V227 HydrophobicContact CE-CG2 3.46Å; M166-V227 VanDerWaalsContact CE-CG2 3.46Å
167	Y	98.4	Very high	97.4	Very high	62 Å²	62	39.3 Å²	39.3	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-42.2	173.7	-77	-60.7	0	0	0	112.6	K162 S163 S164 A171 M490	K162-Y167 HydrophobicContact CB-CD2 4.39Å; K162-Y167 HydrophobicContact CB-CE2 3.62Å; K162-Y167 WeakPolarHBondContact O-CE2 3.26Å; S163-Y167 VanDerWaalsContact O-CD2 3.28Å; S163-Y167 WeakPolarHBondContact O-CD2 3.5Å; S163-Y167 PolarHBondContact O-N 2.79Å; S164-Y167 PolarHBondContact O-N 2.83Å; Y167-A171 VanDerWaalsContact O-CB 3.27Å; Y167-A171 WeakPolarHBondContact O-CB 3.47Å; Y167-A171 PolarHBondContact O-N 3.48Å; Y167-M490 HydrophobicContact CD2-SD 3.52Å; Y167-M490 VanDerWaalsContact CD2-SD 3.52Å; Y167-M490 HydrophobicContact CE2-SD 3.87Å; Y167-M490 HydrophobicContact CG-SD 4.31Å
168	A	98.6	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-48.2	178.8	0	0	0	0	0	111	S164 I165 K170 A171 G172 F173 T175 L334 I495	S164-A168 WeakPolarHBondContact O-CB 3.38Å; S164-A168 PolarHBondContact O-N 3.17Å; I165-A168 PolarHBondContact O-N 2.97Å; A168-K170 PolarHBondContact O-N 3.34Å; A168-A171 CarbonylContact O-C 3.56Å; A168-A171 WeakPolarHBondContact O-CA 3.45Å; A168-A171 PolarHBondContact O-N 3.12Å; A168-A171 VanDerWaalsContact O-N 3.1Å; A168-G172 PolarHBondContact O-N 2.95Å; A168-G172 VanDerWaalsContact O-N 3.16Å; A168-F173 HydrophobicContact CB-CB 4.04Å; A168-F173 WeakPolarHBondContact O-CB 3.27Å; A168-F173 PolarHBondContact O-N 3.03Å; A168-T175 HydrophobicContact CB-CG2 3.59Å; A168-L334 HydrophobicContact CB-CB 4.05Å; A168-L334 HydrophobicContact CB-CD2 4.02Å; A168-I495 HydrophobicContact CB-CD1 3.69Å
169	S	98.1	Very high	98	Very high	22 Å²	22	28.9 Å²	28.9	15%	0.154	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-47.8	176.7	-179.5	0	0	0	0	111.4	I165 A171 G172 H226	I165-S169 WeakPolarHBondContact O-CB 3.4Å; I165-S169 PolarHBondContact O-N 3.32Å; S169-A171 VanDerWaalsContact C-N 3.26Å; S169-A171 PolarHBondContact O-N 3.1Å; S169-G172 PolarHBondContact O-N 2.77Å; S169-H226 WeakPolarHBondContact OG-CB 3.4Å; S169-H226 PolarHBondContact OG-O 3.38Å; S169-H226 VanDerWaalsContact OG-O 3.09Å
170	K	97.4	Very high	98.2	Very high	191 Å²	191	27.8 Å²	27.8	83%	0.83	14%	0.144	S	C	*	.	H	α-helix	trans	-62.4	-32.2	175.9	-175.1	175.4	179.3	-179.8	0	113	M166 A168 G172	M166-K170 WeakPolarHBondContact O-CB 3.43Å; M166-K170 PolarHBondContact O-N 3.3Å; A168-K170 PolarHBondContact O-N 3.34Å; K170-G172 PolarHBondContact O-N 3.36Å
171	A	97.7	Very high	98.3	Very high	33 Å²	33	24.8 Å²	24.8	27%	0.273	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-0.7	174.9	0	0	0	0	0	113.1	Y167 A168 S169 F173 K331 I495	Y167-A171 VanDerWaalsContact O-CB 3.27Å; Y167-A171 WeakPolarHBondContact O-CB 3.47Å; Y167-A171 PolarHBondContact O-N 3.48Å; A168-A171 CarbonylContact O-C 3.56Å; A168-A171 WeakPolarHBondContact O-CA 3.45Å; A168-A171 PolarHBondContact O-N 3.12Å; A168-A171 VanDerWaalsContact O-N 3.1Å; S169-A171 VanDerWaalsContact C-N 3.26Å; S169-A171 PolarHBondContact O-N 3.1Å; A171-F173 HydrophobicContact CB-CD2 4Å; A171-F173 HydrophobicContact CB-CE2 4.32Å; A171-K331 WeakPolarHBondContact O-CE 2.92Å; A171-K331 PolarHBondContact O-NZ 2.92Å; A171-I495 HydrophobicContact CB-CB 4.38Å; A171-I495 HydrophobicContact CB-CG2 3.58Å
172	G	97.9	Very high	98.4	Very high	40 Å²	40	25.8 Å²	25.8	41%	0.412	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	13.7	178.5	0	0	0	0	0	114.6	A168 S169 K170 N329	A168-G172 PolarHBondContact O-N 2.95Å; A168-G172 VanDerWaalsContact O-N 3.16Å; S169-G172 PolarHBondContact O-N 2.77Å; K170-G172 PolarHBondContact O-N 3.36Å; G172-N329 PolarHBondContact O-ND2 2.95Å
173	F	98.7	Very high	98.6	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.031	12%	0.116	C	C	.	.			trans	-74.1	150.9	163.7	-72.6	-102.7	0	0	0	109.3	A168 A171 K331 L493 I495	A168-F173 HydrophobicContact CB-CB 4.04Å; A168-F173 WeakPolarHBondContact O-CB 3.27Å; A168-F173 PolarHBondContact O-N 3.03Å; A171-F173 HydrophobicContact CB-CD2 4Å; A171-F173 HydrophobicContact CB-CE2 4.32Å; F173-K331 HydrophobicContact CD1-CG 4.21Å; F173-K331 HydrophobicContact CD2-CD 4.05Å; F173-K331 HydrophobicContact CD2-CG 4.11Å; F173-K331 HydrophobicContact CE1-CG 4.02Å; F173-K331 WeakPolarHBondContact CE1-O 3.38Å; F173-K331 HydrophobicContact CE2-CD 4.02Å; F173-K331 HydrophobicContact CE2-CG 3.95Å; F173-K331 HydrophobicContact CG-CG 4.24Å; F173-K331 HydrophobicContact CZ-CD 4.45Å; F173-K331 HydrophobicContact CZ-CG 3.89Å; F173-L493 HydrophobicContact CD1-CD2 4.49Å; F173-L493 HydrophobicContact CE1-CB 4.49Å; F173-L493 HydrophobicContact CE1-CD2 3.89Å; F173-L493 HydrophobicContact CZ-CB 4.26Å; F173-L493 HydrophobicContact CZ-CD2 4.4Å; F173-L493 WeakPolarHBondContact CZ-O 3.46Å; F173-I495 HydrophobicContact CD2-CG2 3.88Å; F173-I495 HydrophobicContact CE2-CG2 3.49Å; F173-I495 VanDerWaalsContact CE2-CG2 3.49Å; F173-I495 HydrophobicContact CZ-CG2 4.37Å
174	S	98.8	Very high	98.6	Very high	12 Å²	12	21.5 Å²	21.5	8%	0.084	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141.5	167.8	-75.1	0	0	0	0	110	N228 N329 G332 F333 L334	S174-N228 WeakPolarHBondContact CA-OD1 3.36Å; S174-N228 WeakPolarHBondContact CB-OD1 3.48Å; S174-N228 PolarHBondContact OG-OD1 3.32Å; S174-N329 PolarHBondContact N-ND2 2.96Å; S174-N329 VanDerWaalsContact OG-CB 3.27Å; S174-N329 WeakPolarHBondContact OG-CB 3.46Å; S174-N329 PolarHBondContact OG-ND2 3.46Å; S174-N329 VanDerWaalsContact OG-ND2 3.12Å; S174-G332 PolarHBondContact N-O 2.92Å; S174-G332 VanDerWaalsContact N-O 3.14Å; S174-F333 CarbonylContact O-C 3.41Å; S174-F333 WeakPolarHBondContact O-CA 3.18Å; S174-F333 WeakPolarHBondContact O-CB 3.28Å; S174-L334 PolarHBondContact O-N 3.26Å
175	T	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.1	-177.4	60	0	0	0	0	113	I165 A168 V227 N228 V229 L326 L334	I165-T175 HydrophobicContact CG2-CG2 4.42Å; A168-T175 HydrophobicContact CB-CG2 3.59Å; T175-V227 WeakPolarHBondContact O-CG1 3.35Å; T175-N228 PolarHBondContact N-OD1 3.44Å; T175-N228 VanDerWaalsContact N-OD1 3.16Å; T175-N228 WeakPolarHBondContact O-CB 3.3Å; T175-N228 PolarHBondContact O-N 2.67Å; T175-V229 PolarHBondContact O-N 2.77Å; T175-L326 VanDerWaalsContact O-CD2 3.3Å; T175-L326 WeakPolarHBondContact O-CD2 3.12Å; T175-L334 VanDerWaalsContact CA-O 3.26Å; T175-L334 WeakPolarHBondContact CA-O 3.25Å; T175-L334 HydrophobicContact CG2-CB 4.44Å
176	G	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.7	179.1	0	0	0	0	0	114.3	V229 L334 L336	G176-V229 CarbonylContact C-O 3.57Å; G176-V229 WeakPolarHBondContact CA-O 3.35Å; G176-L334 PolarHBondContact N-O 2.75Å; G176-L336 PolarHBondContact O-N 2.94Å
177	I	99	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	113.1	175	-59.3	163.5	0	0	0	106.6	P188 A191 Y192 V227 V229 I230 M231 L336	I177-P188 HydrophobicContact CG2-CB 3.85Å; I177-A191 HydrophobicContact CD1-CB 3.54Å; I177-A191 HydrophobicContact CG1-CB 3.96Å; I177-Y192 HydrophobicContact CD1-CD1 3.99Å; I177-V227 HydrophobicContact CD1-CG1 4.3Å; I177-V227 HydrophobicContact CG1-CG1 4.46Å; I177-V229 PolarHBondContact N-O 2.89Å; I177-I230 HydrophobicContact CD1-CG1 4.44Å; I177-I230 CarbonylContact O-C 3.37Å; I177-I230 VanDerWaalsContact O-CA 3.3Å; I177-I230 WeakPolarHBondContact O-CA 3.43Å; I177-M231 PolarHBondContact O-N 3.42Å; I177-L336 HydrophobicContact CG2-CD2 4.36Å
178	V	99	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.5	175.6	175.4	0	0	0	0	108.1	M231 L315 M318 A322 L335 L336 V337 E338	V178-M231 CarbonylContact C-O 3.46Å; V178-M231 WeakPolarHBondContact CA-O 3.43Å; V178-M231 HydrophobicContact CG2-CB 4.44Å; V178-M231 HydrophobicContact CG2-CE 3.95Å; V178-L315 HydrophobicContact CG1-CD1 3.73Å; V178-M318 HydrophobicContact CG1-CB 3.53Å; V178-M318 HydrophobicContact CG1-CE 4.21Å; V178-M318 HydrophobicContact CG1-SD 4.46Å; V178-A322 HydrophobicContact CG2-CB 3.73Å; V178-L335 HydrophobicContact CG2-CD1 4.07Å; V178-L336 PolarHBondContact N-O 2.88Å; V178-V337 HydrophobicContact CB-CG1 4.49Å; V178-V337 HydrophobicContact CB-CG2 4.44Å; V178-V337 HydrophobicContact CG1-CG1 4.4Å; V178-V337 CarbonylContact O-C 3.55Å; V178-V337 VanDerWaalsContact O-CA 3.3Å; V178-V337 WeakPolarHBondContact O-CA 3.45Å; V178-E338 PolarHBondContact O-N 2.92Å
179	T	98.9	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.7	-179.5	-178.8	0	0	0	0	112.2	T181 V183 P188 M231 G232 E338	T179-T181 VanDerWaalsContact C-N 3.28Å; T179-T181 PolarHBondContact OG1-N 2.96Å; T179-T181 PolarHBondContact OG1-OG1 3.37Å; T179-V183 HydrophobicContact CG2-CG1 4.09Å; T179-P188 HydrophobicContact CG2-CB 4.13Å; T179-P188 HydrophobicContact CG2-CG 4.13Å; T179-M231 PolarHBondContact N-O 3.44Å; T179-G232 WeakPolarHBondContact O-CA 3.31Å; T179-E338 WeakPolarHBondContact CA-O 3.14Å; T179-E338 WeakPolarHBondContact CB-OE2 3.38Å; T179-E338 VanDerWaalsContact OG1-CD 3.29Å; T179-E338 PolarHBondContact OG1-OE2 2.93Å
180	T	98.9	Very high	98.6	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.043	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-2.8	165.7	57.7	0	0	0	0	113.3	L303 L315 E338 G340 R341	T180-L303 WeakPolarHBondContact O-CB 3.28Å; T180-L303 PolarHBondContact O-N 3.06Å; T180-L315 HydrophobicContact CG2-CB 3.99Å; T180-L315 HydrophobicContact CG2-CD1 4.05Å; T180-L315 HydrophobicContact CG2-CD2 4.22Å; T180-L315 HydrophobicContact CG2-CG 4.31Å; T180-E338 PolarHBondContact N-O 2.83Å; T180-E338 VanDerWaalsContact N-O 3.1Å; T180-G340 PolarHBondContact OG1-N 3.47Å; T180-R341 PolarHBondContact OG1-N 3.2Å
181	T	98.9	Very high	98.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-166.7	-179.5	76.5	0	0	0	0	111.7	T179 G233 H302 G340	T179-T181 VanDerWaalsContact C-N 3.28Å; T179-T181 PolarHBondContact OG1-N 2.96Å; T179-T181 PolarHBondContact OG1-OG1 3.37Å; T181-G233 WeakPolarHBondContact O-CA 3.4Å; T181-G233 PolarHBondContact O-N 2.98Å; T181-H302 WeakPolarHBondContact CA-ND1 3.46Å; T181-G340 VanDerWaalsContact CG2-CA 3.48Å
182	R	98.8	Very high	98.7	Very high	29 Å²	29	6 Å²	6	11%	0.109	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137	167.7	-63.3	-178.2	-70.1	-83.4	-2.3	106	T184 H185 P188 E201 G233 E237 N301 H302	R182-T184 PolarHBondContact O-N 2.91Å; R182-H185 HydrophobicContact CB-CB 4.22Å; R182-H185 PolarHBondContact NH2-CD2 3.1Å; R182-H185 VanDerWaalsContact NH2-CD2 3.33Å; R182-H185 WeakPolarHBondContact O-CB 3.44Å; R182-H185 PolarHBondContact O-N 3.16Å; R182-P188 VanDerWaalsContact O-CG 3.24Å; R182-P188 WeakPolarHBondContact O-CG 3.46Å; R182-E201 IonicContact CZ-OE1 3.76Å; R182-E201 IonicContact CZ-OE2 3.4Å; R182-E201 VanDerWaalsContact NE-CD 3.31Å; R182-E201 IonicContact NE-OE1 3.94Å; R182-E201 PolarHBondContact NE-OE1 3.5Å; R182-E201 IonicContact NE-OE2 3.01Å; R182-E201 PolarHBondContact NE-OE2 2.85Å; R182-E201 IonicContact NH2-OE1 3.94Å; R182-E201 PolarHBondContact NH2-OE1 3.5Å; R182-E201 IonicContact NH2-OE2 2.97Å; R182-G233 WeakPolarHBondContact CA-O 3.47Å; R182-E237 WeakPolarHBondContact CD-OE1 3.25Å; R182-E237 IonicContact NE-OE1 3.44Å; R182-N301 WeakPolarHBondContact CD-OD1 3.35Å; R182-N301 WeakPolarHBondContact CG-OD1 3.49Å; R182-N301 PolarHBondContact NH1-OD1 3.23Å; R182-H302 PolarHBondContact N-ND1 2.97Å; R182-H302 PolarHBondContact NH1-CE1 3.03Å; R182-H302 PolarHBondContact NH1-NE2 3.43Å
183	V	98.9	Very high	98.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.5	178.3	-60	0	0	0	0	113.1	T179 P188 Y192 L220 I230 G233 F238 L297	T179-V183 HydrophobicContact CG2-CG1 4.09Å; V183-P188 WeakPolarHBondContact O-CG 3.27Å; V183-Y192 PolarHBondContact O-OH 3.37Å; V183-L220 HydrophobicContact CG2-CD1 3.99Å; V183-I230 HydrophobicContact CB-CG2 3.95Å; V183-I230 HydrophobicContact CG1-CG2 3.78Å; V183-I230 HydrophobicContact CG2-CG2 4.44Å; V183-G233 PolarHBondContact N-O 3.22Å; V183-F238 HydrophobicContact CG2-CE2 3.87Å; V183-F238 HydrophobicContact CG2-CZ 3.76Å; V183-L297 HydrophobicContact CB-CD2 4.35Å; V183-L297 HydrophobicContact CG1-CD2 3.81Å; V183-L297 HydrophobicContact CG2-CD2 3.57Å
184	T	98.8	Very high	98.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.6	173.8	51.2	0	0	0	0	114.3	R182 E201 A216 A217 E237 F238	R182-T184 PolarHBondContact O-N 2.91Å; T184-E201 VanDerWaalsContact C-OE2 3.25Å; T184-E201 WeakPolarHBondContact CB-OE2 3.19Å; T184-E201 WeakPolarHBondContact O-CG 3.39Å; T184-E201 PolarHBondContact OG1-OE2 3.21Å; T184-A216 HydrophobicContact CG2-CB 4.05Å; T184-A217 HydrophobicContact CG2-CB 3.84Å; T184-E237 HydrophobicContact CG2-CB 4.14Å; T184-E237 HydrophobicContact CG2-CG 4.47Å; T184-E237 WeakPolarHBondContact OG1-CG 3.29Å; T184-F238 HydrophobicContact CG2-CE2 3.88Å; T184-F238 HydrophobicContact CG2-CZ 3.78Å
185	H	98.6	Very high	98.6	Very high	18 Å²	18	4.5 Å²	4.5	8%	0.083	2%	0.022	C	C	.	.	S	Bend	trans	-64	163.6	178.1	-163.3	-116.1	0	0	0	110.5	R182 T187 P188 A189 E201 H302	R182-H185 HydrophobicContact CB-CB 4.22Å; R182-H185 PolarHBondContact NH2-CD2 3.1Å; R182-H185 VanDerWaalsContact NH2-CD2 3.33Å; R182-H185 WeakPolarHBondContact O-CB 3.44Å; R182-H185 PolarHBondContact O-N 3.16Å; H185-T187 VanDerWaalsContact C-N 3.35Å; H185-T187 PolarHBondContact O-N 3.09Å; H185-P188 HydrophobicContact CB-CG 4.12Å; H185-P188 WeakPolarHBondContact O-CD 3.2Å; H185-P188 WeakPolarHBondContact O-CG 3.39Å; H185-A189 WeakPolarHBondContact O-CB 3.45Å; H185-A189 PolarHBondContact O-N 3.01Å; H185-E201 PolarHBondContact N-OE2 2.97Å; H185-H302 AromaticContact CD2-CE1 3.96Å
186	A	98.3	Very high	98.4	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.008	2%	0.023	C	C	.	.	H	α-helix	trans	-55.3	-45.2	-167	0	0	0	0	0	114.2	V141 A190 R198	V141-A186 HydrophobicContact CG2-CB 4.11Å; A186-A190 PolarHBondContact O-N 2.92Å; A186-R198 HydrophobicContact CB-CB 4.04Å
187	T	98.7	Very high	98.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.9	-60.7	179.6	-56.4	0	0	0	0	112.4	I71 D73 S123 A127 F130 M131 H185 A189 A190 E338	I71-T187 HydrophobicContact CG2-CG2 4.41Å; D73-T187 PolarHBondContact OD2-OG1 2.88Å; S123-T187 VanDerWaalsContact CB-OG1 3.22Å; S123-T187 WeakPolarHBondContact CB-OG1 3.42Å; A127-T187 HydrophobicContact CB-CG2 4.27Å; F130-T187 HydrophobicContact CZ-CG2 4.06Å; M131-T187 HydrophobicContact CE-CG2 4.4Å; M131-T187 WeakPolarHBondContact CE-O 3.39Å; H185-T187 VanDerWaalsContact C-N 3.35Å; H185-T187 PolarHBondContact O-N 3.09Å; T187-A189 VanDerWaalsContact C-N 3.31Å; T187-A189 PolarHBondContact O-N 3.03Å; T187-A190 PolarHBondContact O-N 3.03Å; T187-E338 WeakPolarHBondContact CB-OE1 3.39Å; T187-E338 HydrophobicContact CG2-CG 3.95Å
188	P	98.8	Very high	98.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-67.3	-31.5	-178.6	27.5	-34.5	0	0	0	112.3	I177 T179 R182 V183 H185 A190 A191 E338	I177-P188 HydrophobicContact CG2-CB 3.85Å; T179-P188 HydrophobicContact CG2-CB 4.13Å; T179-P188 HydrophobicContact CG2-CG 4.13Å; R182-P188 VanDerWaalsContact O-CG 3.24Å; R182-P188 WeakPolarHBondContact O-CG 3.46Å; V183-P188 WeakPolarHBondContact O-CG 3.27Å; H185-P188 HydrophobicContact CB-CG 4.12Å; H185-P188 WeakPolarHBondContact O-CD 3.2Å; H185-P188 WeakPolarHBondContact O-CG 3.39Å; P188-A190 VanDerWaalsContact C-N 3.29Å; P188-A190 PolarHBondContact O-N 2.85Å; P188-A191 VanDerWaalsContact O-CB 3.22Å; P188-A191 WeakPolarHBondContact O-CB 3.42Å; P188-A191 PolarHBondContact O-N 2.9Å; P188-A191 VanDerWaalsContact O-N 3.13Å; P188-E338 VanDerWaalsContact CD-OE2 3.26Å; P188-E338 WeakPolarHBondContact CD-OE2 3.33Å
189	A	98.8	Very high	98.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-31.2	177.6	0	0	0	0	0	112.9	V141 H185 T187 A191 Y192 A193 M195 A216	V141-A189 HydrophobicContact CG1-CB 3.97Å; H185-A189 WeakPolarHBondContact O-CB 3.45Å; H185-A189 PolarHBondContact O-N 3.01Å; T187-A189 VanDerWaalsContact C-N 3.31Å; T187-A189 PolarHBondContact O-N 3.03Å; A189-A191 PolarHBondContact O-N 3.07Å; A189-Y192 HydrophobicContact CB-CE1 4.43Å; A189-Y192 PolarHBondContact O-N 2.79Å; A189-A193 HydrophobicContact CB-CB 4.35Å; A189-A193 WeakPolarHBondContact O-CB 3.01Å; A189-A193 PolarHBondContact O-N 3.3Å; A189-M195 HydrophobicContact CB-CE 3.92Å; A189-A216 HydrophobicContact CB-CB 4.34Å
190	A	98.6	Very high	98.1	Very high	3 Å²	3	13.3 Å²	13.3	3%	0.025	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.7	176.4	0	0	0	0	0	113.4	A127 M131 V141 A186 T187 P188 Y192	A127-A190 HydrophobicContact CB-CB 3.43Å; A127-A190 VanDerWaalsContact CB-CB 3.43Å; M131-A190 HydrophobicContact CE-CB 4.37Å; M131-A190 HydrophobicContact SD-CB 4.06Å; V141-A190 VanDerWaalsContact CG1-CA 3.46Å; V141-A190 HydrophobicContact CG1-CB 3.89Å; V141-A190 VanDerWaalsContact CG1-N 3.33Å; A186-A190 PolarHBondContact O-N 2.92Å; T187-A190 PolarHBondContact O-N 3.03Å; P188-A190 VanDerWaalsContact C-N 3.29Å; P188-A190 PolarHBondContact O-N 2.85Å; A190-Y192 VanDerWaalsContact C-N 3.26Å; A190-Y192 PolarHBondContact O-N 2.86Å
191	A	98.6	Very high	98	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.6	174.3	0	0	0	0	0	112.7	M131 S163 I165 M166 I177 P188 A189 L336	M131-A191 VanDerWaalsContact SD-CA 3.52Å; M131-A191 HydrophobicContact SD-CB 3.71Å; M131-A191 PolarHBondContact SD-N 2.96Å; M131-A191 VanDerWaalsContact SD-N 3.36Å; S163-A191 WeakPolarHBondContact CB-O 3.4Å; S163-A191 PolarHBondContact OG-O 2.88Å; I165-A191 HydrophobicContact CB-CB 4.37Å; I165-A191 HydrophobicContact CG1-CB 4.26Å; I165-A191 HydrophobicContact CG2-CB 4.5Å; M166-A191 WeakPolarHBondContact CG-O 3.48Å; I177-A191 HydrophobicContact CD1-CB 3.54Å; I177-A191 HydrophobicContact CG1-CB 3.96Å; P188-A191 VanDerWaalsContact O-CB 3.22Å; P188-A191 WeakPolarHBondContact O-CB 3.42Å; P188-A191 PolarHBondContact O-N 2.9Å; P188-A191 VanDerWaalsContact O-N 3.13Å; A189-A191 PolarHBondContact O-N 3.07Å; A191-L336 HydrophobicContact CB-CD2 4.42Å
192	Y	98.5	Very high	98	Very high	8 Å²	8	14.2 Å²	14.2	3%	0.031	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.9	-21.9	-173.5	65.3	-98.2	0	0	0	115.9	I177 V183 A189 A190 A216 Q219 L220 N223 A224	I177-Y192 HydrophobicContact CD1-CD1 3.99Å; V183-Y192 PolarHBondContact O-OH 3.37Å; A189-Y192 HydrophobicContact CB-CE1 4.43Å; A189-Y192 PolarHBondContact O-N 2.79Å; A190-Y192 VanDerWaalsContact C-N 3.26Å; A190-Y192 PolarHBondContact O-N 2.86Å; Y192-A216 VanDerWaalsContact CE2-O 3.23Å; Y192-A216 WeakPolarHBondContact CE2-O 3.41Å; Y192-A216 PolarHBondContact OH-O 2.62Å; Y192-Q219 HydrophobicContact CD2-CB 4.4Å; Y192-Q219 HydrophobicContact CE2-CB 4.41Å; Y192-L220 HydrophobicContact CD2-CB 4.17Å; Y192-L220 HydrophobicContact CE1-CD1 4.14Å; Y192-L220 HydrophobicContact CE2-CB 3.66Å; Y192-L220 HydrophobicContact CE2-CG 4.41Å; Y192-N223 VanDerWaalsContact O-CB 3.29Å; Y192-N223 WeakPolarHBondContact O-CB 3.29Å; Y192-N223 PolarHBondContact O-ND2 2.87Å; Y192-A224 HydrophobicContact CG-CB 4.04Å
193	A	98.2	Very high	97.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	9%	0.089	C	C	.	.			trans	-104.3	151.5	-173.2	0	0	0	0	0	112.5	A189 M195 Q219	A189-A193 HydrophobicContact CB-CB 4.35Å; A189-A193 WeakPolarHBondContact O-CB 3.01Å; A189-A193 PolarHBondContact O-N 3.3Å; A193-M195 HydrophobicContact CB-CG 4.12Å; A193-Q219 VanDerWaalsContact CA-OE1 3.27Å; A193-Q219 HydrophobicContact CB-CB 4.09Å
194	N	97.5	Very high	97.3	Very high	26 Å²	26	19.4 Å²	19.4	14%	0.139	9%	0.094	C	C	.	.			trans	-119.8	104.5	167.7	-52.9	115.2	0	0	0	107.6	V141 G142 I143 L155 R160 A161 Q219	V141-N194 CarbonylContact O-C 3.4Å; V141-N194 WeakPolarHBondContact O-CA 3.22Å; G142-N194 PolarHBondContact O-ND2 3.41Å; I143-N194 HydrophobicContact CD1-CB 4Å; L155-N194 HydrophobicContact CD1-CB 4.25Å; R160-N194 HydrophobicContact CG-CB 4.19Å; A161-N194 PolarHBondContact O-ND2 3.05Å; N194-Q219 PolarHBondContact O-NE2 2.61Å
195	M	96.6	Very high	96.6	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-126.3	130.7	-176.9	-55.1	-173.4	-71.6	0	0	111.4	V141 I143 A189 A193 H197 W200 A216	V141-M195 HydrophobicContact CB-CB 4.27Å; V141-M195 HydrophobicContact CB-CE 3.66Å; V141-M195 HydrophobicContact CG1-CE 3.87Å; V141-M195 HydrophobicContact CG2-CE 3.68Å; V141-M195 PolarHBondContact N-O 3.09Å; V141-M195 PolarHBondContact O-N 3.03Å; I143-M195 VanDerWaalsContact CG1-O 3.25Å; I143-M195 WeakPolarHBondContact CG1-O 3.28Å; A189-M195 HydrophobicContact CB-CE 3.92Å; A193-M195 HydrophobicContact CB-CG 4.12Å; M195-H197 WeakPolarHBondContact CB-O 3.34Å; M195-H197 PolarHBondContact O-N 2.6Å; M195-W200 HydrophobicContact SD-CB 4.27Å; M195-A216 HydrophobicContact CE-CB 3.89Å; M195-A216 HydrophobicContact SD-CB 3.5Å; M195-A216 VanDerWaalsContact SD-CB 3.5Å
196	L	95.7	Very high	95.7	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.154	C	C	.	.	S	Bend	trans	-75.7	-4.5	174.6	-71.4	164.1	0	0	0	113.2	I143 V147 C149 C150 E151 T153 L155 W200	I143-L196 HydrophobicContact CD1-CD2 4.37Å; I143-L196 HydrophobicContact CG1-CD2 4.3Å; I143-L196 HydrophobicContact CG2-CD2 4.29Å; V147-L196 HydrophobicContact CB-CD2 4.48Å; V147-L196 HydrophobicContact CG1-CD2 3.6Å; C149-L196 PolarHBondContact SG-O 2.57Å; C150-L196 WeakPolarHBondContact CA-O 3.3Å; E151-L196 WeakPolarHBondContact O-CD1 3.43Å; T153-L196 WeakPolarHBondContact OG1-CD1 3.27Å; L155-L196 HydrophobicContact CD2-CD1 4.13Å; L155-L196 HydrophobicContact CD2-CD2 3.99Å; L155-L196 HydrophobicContact CD2-CG 4.23Å; L155-L196 HydrophobicContact CG-CD1 4.3Å; L196-W200 HydrophobicContact CB-CH2 3.85Å; L196-W200 HydrophobicContact CB-CZ3 3.74Å
197	H	96.9	Very high	94.5	Very high	33 Å²	33	30.3 Å²	30.3	15%	0.153	17%	0.166	C	C	.	.	S	Bend	trans	-149.9	132.7	165.5	-163	-90.3	0	0	0	110.2	N139 M195 D199 W200	N139-H197 CarbonylContact O-C 3.53Å; N139-H197 VanDerWaalsContact O-CA 3.25Å; N139-H197 WeakPolarHBondContact O-CA 3.33Å; M195-H197 WeakPolarHBondContact CB-O 3.34Å; M195-H197 PolarHBondContact O-N 2.6Å; H197-D199 IonicContact CE1-OD2 3.03Å; H197-D199 PolarHBondContact CE1-OD2 3.31Å; H197-D199 VanDerWaalsContact CE1-OD2 3.26Å; H197-D199 WeakPolarHBondContact ND1-CB 3.41Å; H197-D199 PolarHBondContact ND1-N 2.93Å; H197-D199 IonicContact ND1-OD2 2.69Å; H197-D199 PolarHBondContact O-N 3.37Å; H197-W200 HydrophobicContact CB-CD2 3.72Å; H197-W200 HydrophobicContact CB-CE3 4.42Å; H197-W200 HydrophobicContact CB-CG 3.93Å; H197-W200 HydrophobicContact CB-CH2 4.46Å; H197-W200 HydrophobicContact CB-CZ2 3.79Å; H197-W200 AromaticContact CG-NE1 3.94Å; H197-W200 WeakPolarHBondContact O-CB 3.33Å; H197-W200 PolarHBondContact O-N 2.83Å
198	R	97.7	Very high	93.2	Very high	27 Å²	27	39.9 Å²	39.9	10%	0.102	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.6	-176.4	64.2	-178.3	-77.1	159.8	-3.7	114	D122 S123 N139 V141 A186 W200	D122-R198 VanDerWaalsContact CG-NH1 3.26Å; D122-R198 WeakPolarHBondContact OD2-CD 3.12Å; D122-R198 IonicContact OD2-CZ 3.66Å; D122-R198 IonicContact OD2-NE 3.82Å; D122-R198 IonicContact OD2-NH1 2.65Å; D122-R198 PolarHBondContact OD2-NH1 3.1Å; S123-R198 PolarHBondContact OG-NH2 2.77Å; S123-R198 VanDerWaalsContact OG-NH2 3.16Å; N139-R198 PolarHBondContact O-N 2.98Å; V141-R198 HydrophobicContact CG2-CB 3.71Å; A186-R198 HydrophobicContact CB-CB 4.04Å; R198-W200 PolarHBondContact O-N 3.21Å
199	D	96.9	Very high	91.7	Very high	104 Å²	104	45.2 Å²	45.2	56%	0.556	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	2	-179.8	-58.9	-19.3	0	0	0	113.6	H197 E201	H197-D199 IonicContact CE1-OD2 3.03Å; H197-D199 PolarHBondContact CE1-OD2 3.31Å; H197-D199 VanDerWaalsContact CE1-OD2 3.26Å; H197-D199 WeakPolarHBondContact ND1-CB 3.41Å; H197-D199 PolarHBondContact ND1-N 2.93Å; H197-D199 IonicContact ND1-OD2 2.69Å; H197-D199 PolarHBondContact O-N 3.37Å; D199-E201 PolarHBondContact O-N 3.41Å
200	W	97.1	Very high	90.6	Very high	18 Å²	18	50.8 Å²	50.8	7%	0.068	28%	0.282	C	S	.	.			trans	-80.1	54.8	175.2	-64	-5.4	0	0	0	111.5	C152 M195 L196 H197 R198 V204 C213 D215 A216	C152-W200 HydrophobicContact CB-CH2 3.7Å; C152-W200 HydrophobicContact CB-CZ3 4.09Å; M195-W200 HydrophobicContact SD-CB 4.27Å; L196-W200 HydrophobicContact CB-CH2 3.85Å; L196-W200 HydrophobicContact CB-CZ3 3.74Å; H197-W200 HydrophobicContact CB-CD2 3.72Å; H197-W200 HydrophobicContact CB-CE3 4.42Å; H197-W200 HydrophobicContact CB-CG 3.93Å; H197-W200 HydrophobicContact CB-CH2 4.46Å; H197-W200 HydrophobicContact CB-CZ2 3.79Å; H197-W200 AromaticContact CG-NE1 3.94Å; H197-W200 WeakPolarHBondContact O-CB 3.33Å; H197-W200 PolarHBondContact O-N 2.83Å; R198-W200 PolarHBondContact O-N 3.21Å; W200-V204 HydrophobicContact CB-CG2 4.07Å; W200-V204 HydrophobicContact CD2-CB 4.36Å; W200-V204 HydrophobicContact CD2-CG1 3.91Å; W200-V204 HydrophobicContact CD2-CG2 4.03Å; W200-V204 HydrophobicContact CE3-CB 4.44Å; W200-V204 HydrophobicContact CE3-CG1 3.83Å; W200-V204 HydrophobicContact CE3-CG2 3.88Å; W200-V204 HydrophobicContact CG-CG2 4.12Å; W200-V204 HydrophobicContact CH2-CG1 4.24Å; W200-V204 HydrophobicContact CZ2-CG1 4.29Å; W200-V204 HydrophobicContact CZ3-CG1 3.99Å; W200-C213 HydrophobicContact CE3-CB 4.36Å; W200-C213 HydrophobicContact CZ3-CB 3.98Å; W200-D215 CarbonylContact O-C 3.51Å; W200-D215 WeakPolarHBondContact O-CA 3.31Å; W200-D215 VanDerWaalsContact O-CB 3.27Å; W200-D215 WeakPolarHBondContact O-CB 3.46Å; W200-A216 PolarHBondContact O-N 3.09Å
201	E	98.2	Very high	89.8	Confident	13 Å²	13	53.9 Å²	53.9	6%	0.061	30%	0.295	C	S	.	.	S	Bend	trans	-73.3	-43.8	-174.8	-64.4	-168.4	-113.9	0	0	112.7	R182 T184 H185 D199 A216 A217 E237	R182-E201 IonicContact CZ-OE1 3.76Å; R182-E201 IonicContact CZ-OE2 3.4Å; R182-E201 VanDerWaalsContact NE-CD 3.31Å; R182-E201 IonicContact NE-OE1 3.94Å; R182-E201 PolarHBondContact NE-OE1 3.5Å; R182-E201 IonicContact NE-OE2 3.01Å; R182-E201 PolarHBondContact NE-OE2 2.85Å; R182-E201 IonicContact NH2-OE1 3.94Å; R182-E201 PolarHBondContact NH2-OE1 3.5Å; R182-E201 IonicContact NH2-OE2 2.97Å; T184-E201 VanDerWaalsContact C-OE2 3.25Å; T184-E201 WeakPolarHBondContact CB-OE2 3.19Å; T184-E201 WeakPolarHBondContact O-CG 3.39Å; T184-E201 PolarHBondContact OG1-OE2 3.21Å; H185-E201 PolarHBondContact N-OE2 2.97Å; D199-E201 PolarHBondContact O-N 3.41Å; E201-A216 PolarHBondContact O-N 2.92Å; E201-A217 WeakPolarHBondContact O-CB 3.29Å; E201-A217 PolarHBondContact O-N 2.89Å; E201-E237 HydrophobicContact CB-CG 4.43Å
202	S	97.7	Very high	89.3	Confident	12 Å²	12	60.6 Å²	60.6	8%	0.084	33%	0.326	C	S	.	.	S	Bend	trans	-131.1	-7.4	-179.9	51.8	0	0	0	0	114	E237 K252	S202-E237 VanDerWaalsContact CB-O 3.25Å; S202-E237 WeakPolarHBondContact CB-O 3.3Å; S202-E237 WeakPolarHBondContact CB-OE2 3.33Å; S202-E237 PolarHBondContact OG-OE2 2.92Å; S202-K252 WeakPolarHBondContact OG-CB 3.44Å
203	K	92.8	Very high	89	Confident	121 Å²	121	60.9 Å²	60.9	53%	0.526	33%	0.329	S	S	.	.			trans	-150.3	132	-176.2	-178	178.5	179.4	-179.4	0	110.4
204	V	90.4	Very high	88.8	Confident	17 Å²	17	63.8 Å²	63.8	10%	0.103	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-100.5	135.1	168	-178.7	0	0	0	0	108.3	C152 W200 C213 D215	C152-V204 HydrophobicContact CB-CG1 4.21Å; W200-V204 HydrophobicContact CB-CG2 4.07Å; W200-V204 HydrophobicContact CD2-CB 4.36Å; W200-V204 HydrophobicContact CD2-CG1 3.91Å; W200-V204 HydrophobicContact CD2-CG2 4.03Å; W200-V204 HydrophobicContact CE3-CB 4.44Å; W200-V204 HydrophobicContact CE3-CG1 3.83Å; W200-V204 HydrophobicContact CE3-CG2 3.88Å; W200-V204 HydrophobicContact CG-CG2 4.12Å; W200-V204 HydrophobicContact CH2-CG1 4.24Å; W200-V204 HydrophobicContact CZ2-CG1 4.29Å; W200-V204 HydrophobicContact CZ3-CG1 3.99Å; V204-C213 HydrophobicContact CG1-CB 3.96Å; V204-C213 HydrophobicContact CG2-CB 4.2Å; V204-C213 WeakPolarHBondContact CG2-O 3.4Å; V204-D215 HydrophobicContact CG2-CB 4.3Å
205	P	85.2	Confident	88.8	Confident	75 Å²	75	62.9 Å²	62.9	49%	0.487	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-55.9	142.1	170.4	-23	33.2	0	0	0	111.5	N207	P205-N207 PolarHBondContact O-N 2.9Å
206	S	78.6	Confident	88.9	Confident	122 Å²	122	62.8 Å²	62.8	85%	0.853	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-60.7	126.6	168.2	50.7	0	0	0	0	109.5
207	N	73.8	Confident	89	Confident	51 Å²	51	62.7 Å²	62.7	27%	0.273	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-100.6	162.8	172.7	58.5	-8.3	0	0	0	110.4	C152 P205 H209 F211	C152-N207 HydrophobicContact CB-CB 4.27Å; C152-N207 WeakPolarHBondContact CB-ND2 3.38Å; C152-N207 PolarHBondContact O-ND2 2.76Å; C152-N207 PolarHBondContact SG-ND2 2.91Å; P205-N207 PolarHBondContact O-N 2.9Å; N207-H209 PolarHBondContact O-N 3.25Å; N207-H209 PolarHBondContact OD1-O 2.98Å; N207-H209 VanDerWaalsContact OD1-O 3.06Å; N207-F211 PolarHBondContact ND2-O 3.12Å; N207-F211 PolarHBondContact OD1-O 2.93Å
208	E	70.5	Confident	89.1	Confident	202 Å²	202	61.2 Å²	61.2	94%	0.944	34%	0.335	S	S	*	.	S	Bend	trans	-73.7	-12.1	173.1	-63	-174.6	174	0	0	112.6
209	H	67	Low	89.1	Confident	112 Å²	112	60.5 Å²	60.5	52%	0.519	33%	0.332	S	S	.	.	S	Bend	trans	-86.9	152.4	-178.7	-59	-51.7	0	0	0	111.9	N207 F211	N207-H209 PolarHBondContact O-N 3.25Å; N207-H209 PolarHBondContact OD1-O 2.98Å; N207-H209 VanDerWaalsContact OD1-O 3.06Å; H209-F211 PolarHBondContact O-N 2.89Å
210	A	75.4	Confident	89.2	Confident	116 Å²	116	55.5 Å²	55.5	96%	0.959	31%	0.306	S	S	*	.	S	Bend	trans	-70.1	-9.2	179.9	0	0	0	0	0	114.3
211	F	83.4	Confident	89.2	Confident	68 Å²	68	54.9 Å²	54.9	30%	0.298	30%	0.304	S	S	.	.			trans	-86.8	131.4	-177.2	-176.3	-97.2	0	0	0	111.7	T153 E154 N207 H209 C213	T153-F211 VanDerWaalsContact C-CD1 3.48Å; T153-F211 WeakPolarHBondContact O-CE1 3.33Å; E154-F211 HydrophobicContact CB-CD1 4.25Å; E154-F211 HydrophobicContact CB-CD2 3.65Å; E154-F211 HydrophobicContact CB-CE1 4.29Å; E154-F211 HydrophobicContact CB-CE2 3.7Å; E154-F211 HydrophobicContact CB-CG 3.93Å; E154-F211 HydrophobicContact CB-CZ 4.03Å; E154-F211 HydrophobicContact CG-CD2 4.01Å; E154-F211 HydrophobicContact CG-CE2 3.64Å; E154-F211 HydrophobicContact CG-CZ 4.09Å; N207-F211 PolarHBondContact ND2-O 3.12Å; N207-F211 PolarHBondContact OD1-O 2.93Å; H209-F211 PolarHBondContact O-N 2.89Å; F211-C213 HydrophobicContact CE1-CB 4.45Å
212	H	87.4	Confident	89.1	Confident	142 Å²	142	58.7 Å²	58.7	66%	0.657	33%	0.328	S	S	*	.			trans	-103.9	110.2	178.5	-173	68.1	0	0	0	110.9
213	C	92.6	Very high	89	Confident	13 Å²	13	61 Å²	61	9%	0.088	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-73.6	146.3	170.9	-53.9	0	0	0	0	110.1	C152 W200 V204 F211	C152-C213 WeakPolarHBondContact CA-SG 3.48Å; C152-C213 HydrophobicContact CB-CB 4.08Å; C152-C213 WeakPolarHBondContact CB-SG 3.43Å; C152-C213 WeakPolarHBondContact SG-CB 3.23Å; C152-C213 PolarHBondContact SG-N 3.45Å; C152-C213 CovalentContact SG-SG 2.04Å; C152-C213 PolarHBondContact SG-SG 3.42Å; W200-C213 HydrophobicContact CE3-CB 4.36Å; W200-C213 HydrophobicContact CZ3-CB 3.98Å; V204-C213 HydrophobicContact CG1-CB 3.96Å; V204-C213 HydrophobicContact CG2-CB 4.2Å; V204-C213 WeakPolarHBondContact CG2-O 3.4Å; F211-C213 HydrophobicContact CE1-CB 4.45Å
214	T	94	Very high	89.2	Confident	62 Å²	62	55.3 Å²	55.3	38%	0.38	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-96.9	141.3	175.8	49.1	0	0	0	0	110.8	Q219	T214-Q219 PolarHBondContact O-NE2 3.22Å; T214-Q219 WeakPolarHBondContact OG1-CG 3.37Å; T214-Q219 PolarHBondContact OG1-NE2 3.04Å
215	D	97.1	Very high	89.4	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.043	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-75	165.6	177.3	61.8	88.4	0	0	0	113	W200 V204 A217 A218 Q219 R253	W200-D215 CarbonylContact O-C 3.51Å; W200-D215 WeakPolarHBondContact O-CA 3.31Å; W200-D215 VanDerWaalsContact O-CB 3.27Å; W200-D215 WeakPolarHBondContact O-CB 3.46Å; V204-D215 HydrophobicContact CG2-CB 4.3Å; D215-A217 PolarHBondContact O-N 3.5Å; D215-A217 WeakPolarHBondContact OD1-CB 2.97Å; D215-A217 PolarHBondContact OD1-N 2.75Å; D215-A218 PolarHBondContact O-N 2.83Å; D215-A218 PolarHBondContact OD1-N 3.18Å; D215-Q219 WeakPolarHBondContact O-CG 3.41Å; D215-Q219 PolarHBondContact O-N 3.01Å; D215-R253 IonicContact OD1-CZ 2.83Å; D215-R253 IonicContact OD1-NH1 2.68Å; D215-R253 PolarHBondContact OD1-NH1 3.12Å; D215-R253 IonicContact OD1-NH2 2.81Å; D215-R253 IonicContact OD2-CZ 3.47Å; D215-R253 IonicContact OD2-NH1 3.23Å; D215-R253 PolarHBondContact OD2-NH1 2.84Å; D215-R253 IonicContact OD2-NH2 3.69Å; D215-R253 PolarHBondContact OD2-NH2 2.8Å
216	A	98.4	Very high	89.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-55.7	-46.1	179.6	0	0	0	0	0	112.4	T184 A189 Y192 M195 W200 E201 A218 Q219 L220	T184-A216 HydrophobicContact CG2-CB 4.05Å; A189-A216 HydrophobicContact CB-CB 4.34Å; Y192-A216 VanDerWaalsContact CE2-O 3.23Å; Y192-A216 WeakPolarHBondContact CE2-O 3.41Å; Y192-A216 PolarHBondContact OH-O 2.62Å; M195-A216 HydrophobicContact CE-CB 3.89Å; M195-A216 HydrophobicContact SD-CB 3.5Å; M195-A216 VanDerWaalsContact SD-CB 3.5Å; W200-A216 PolarHBondContact O-N 3.09Å; E201-A216 PolarHBondContact O-N 2.92Å; A216-A218 VanDerWaalsContact C-N 3.33Å; A216-A218 PolarHBondContact O-N 3.14Å; A216-Q219 PolarHBondContact O-N 2.94Å; A216-L220 PolarHBondContact O-N 3.41Å
217	A	98.6	Very high	90.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-42.2	-176.9	0	0	0	0	0	110.7	T184 E201 D215 L220 L221 E237 F238 L259	T184-A217 HydrophobicContact CG2-CB 3.84Å; E201-A217 WeakPolarHBondContact O-CB 3.29Å; E201-A217 PolarHBondContact O-N 2.89Å; D215-A217 PolarHBondContact O-N 3.5Å; D215-A217 WeakPolarHBondContact OD1-CB 2.97Å; D215-A217 PolarHBondContact OD1-N 2.75Å; A217-L220 WeakPolarHBondContact O-CB 3.33Å; A217-L220 PolarHBondContact O-N 3.48Å; A217-L221 WeakPolarHBondContact O-CD1 3.44Å; A217-E237 HydrophobicContact CB-CB 4.31Å; A217-E237 WeakPolarHBondContact CB-O 3.3Å; A217-F238 HydrophobicContact CB-CD1 4.04Å; A217-F238 HydrophobicContact CB-CE1 3.85Å; A217-F238 HydrophobicContact CB-CE2 4.38Å; A217-F238 HydrophobicContact CB-CG 4.36Å; A217-F238 HydrophobicContact CB-CZ 4.02Å; A217-L259 HydrophobicContact CB-CD1 3.64Å
218	A	98.1	Very high	92.1	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-41	174	0	0	0	0	0	112.2	D215 A216 L220 L221 T222 L259	D215-A218 PolarHBondContact O-N 2.83Å; D215-A218 PolarHBondContact OD1-N 3.18Å; A216-A218 VanDerWaalsContact C-N 3.33Å; A216-A218 PolarHBondContact O-N 3.14Å; A218-L220 VanDerWaalsContact C-N 3.28Å; A218-L220 PolarHBondContact O-N 3.38Å; A218-L221 PolarHBondContact O-N 3.33Å; A218-T222 PolarHBondContact O-N 2.91Å; A218-L259 HydrophobicContact CB-CD1 4.34Å
219	Q	98.1	Very high	93.4	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.051	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-26.2	177.5	-71.2	-170.1	50.7	0	0	113.3	Y192 A193 N194 T214 D215 A216 L221 T222 N223	Y192-Q219 HydrophobicContact CD2-CB 4.4Å; Y192-Q219 HydrophobicContact CE2-CB 4.41Å; A193-Q219 VanDerWaalsContact CA-OE1 3.27Å; A193-Q219 HydrophobicContact CB-CB 4.09Å; N194-Q219 PolarHBondContact O-NE2 2.61Å; T214-Q219 PolarHBondContact O-NE2 3.22Å; T214-Q219 WeakPolarHBondContact OG1-CG 3.37Å; T214-Q219 PolarHBondContact OG1-NE2 3.04Å; D215-Q219 WeakPolarHBondContact O-CG 3.41Å; D215-Q219 PolarHBondContact O-N 3.01Å; A216-Q219 PolarHBondContact O-N 2.94Å; Q219-L221 VanDerWaalsContact C-N 3.26Å; Q219-L221 PolarHBondContact O-N 3.11Å; Q219-T222 WeakPolarHBondContact CA-OG1 3.16Å; Q219-T222 PolarHBondContact O-N 3.47Å; Q219-T222 PolarHBondContact O-OG1 2.97Å; Q219-N223 VanDerWaalsContact O-CB 3.25Å; Q219-N223 WeakPolarHBondContact O-CB 3.4Å; Q219-N223 PolarHBondContact O-N 3.19Å; Q219-N223 PolarHBondContact OE1-ND2 2.77Å
220	L	98.6	Very high	95	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-40.6	172.7	-172.8	152	0	0	0	110.8	V183 Y192 A216 A217 A218 A224 I230 F238	V183-L220 HydrophobicContact CG2-CD1 3.99Å; Y192-L220 HydrophobicContact CD2-CB 4.17Å; Y192-L220 HydrophobicContact CE1-CD1 4.14Å; Y192-L220 HydrophobicContact CE2-CB 3.66Å; Y192-L220 HydrophobicContact CE2-CG 4.41Å; A216-L220 PolarHBondContact O-N 3.41Å; A217-L220 WeakPolarHBondContact O-CB 3.33Å; A217-L220 PolarHBondContact O-N 3.48Å; A218-L220 VanDerWaalsContact C-N 3.28Å; A218-L220 PolarHBondContact O-N 3.38Å; L220-A224 HydrophobicContact CG-CB 4.42Å; L220-A224 CarbonylContact O-C 3.49Å; L220-A224 VanDerWaalsContact O-CA 3.31Å; L220-A224 WeakPolarHBondContact O-CA 3.1Å; L220-A224 VanDerWaalsContact O-CB 3.3Å; L220-A224 WeakPolarHBondContact O-CB 3.45Å; L220-A224 PolarHBondContact O-N 3.34Å; L220-I230 HydrophobicContact CD1-CD1 3.96Å; L220-I230 HydrophobicContact CD1-CG2 4.23Å; L220-I230 HydrophobicContact CD2-CD1 3.98Å; L220-I230 HydrophobicContact CG-CD1 3.9Å; L220-F238 HydrophobicContact CB-CE1 4.48Å; L220-F238 HydrophobicContact CD1-CE1 4.22Å; L220-F238 HydrophobicContact CD1-CZ 3.97Å; L220-F238 HydrophobicContact CD2-CE1 4.39Å
221	L	97.5	Very high	96.1	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-70	-43.8	177.3	-82.9	66.3	0	0	0	111.8	A217 A218 Q219 S225 F238 L259 E262 W263 I266	A217-L221 WeakPolarHBondContact O-CD1 3.44Å; A218-L221 PolarHBondContact O-N 3.33Å; Q219-L221 VanDerWaalsContact C-N 3.26Å; Q219-L221 PolarHBondContact O-N 3.11Å; L221-S225 WeakPolarHBondContact O-CB 3.41Å; L221-F238 HydrophobicContact CD1-CD1 4.49Å; L221-F238 HydrophobicContact CD1-CE1 4.4Å; L221-L259 HydrophobicContact CD1-CB 3.97Å; L221-L259 HydrophobicContact CD1-CD1 4.44Å; L221-L259 HydrophobicContact CD2-CB 4.03Å; L221-L259 HydrophobicContact CD2-CD2 4.12Å; L221-E262 HydrophobicContact CD2-CB 3.54Å; L221-W263 HydrophobicContact CD1-CB 4.29Å; L221-W263 HydrophobicContact CD2-CB 4.42Å; L221-W263 HydrophobicContact CG-CB 4.1Å; L221-I266 HydrophobicContact CB-CD1 4.17Å; L221-I266 HydrophobicContact CD2-CD1 4.2Å; L221-I266 HydrophobicContact CG-CD1 4.34Å
222	T	95.7	Very high	96.8	Very high	92 Å²	92	24.9 Å²	24.9	56%	0.564	13%	0.133	S	C	*	.	H	α-helix	trans	-77.1	-38.5	-174.4	60.3	0	0	0	0	112.9	A218 Q219	A218-T222 PolarHBondContact O-N 2.91Å; Q219-T222 WeakPolarHBondContact CA-OG1 3.16Å; Q219-T222 PolarHBondContact O-N 3.47Å; Q219-T222 PolarHBondContact O-OG1 2.97Å
223	N	96.6	Very high	97.4	Very high	62 Å²	62	18.1 Å²	18.1	33%	0.332	10%	0.102	S	C	.	.	H	α-helix	trans	-101.8	-36.5	-170.8	-57.1	-3	0	0	0	111.9	M166 Y192 Q219	M166-N223 HydrophobicContact SD-CB 4.48Å; M166-N223 VanDerWaalsContact SD-O 3.34Å; Y192-N223 VanDerWaalsContact O-CB 3.29Å; Y192-N223 WeakPolarHBondContact O-CB 3.29Å; Y192-N223 PolarHBondContact O-ND2 2.87Å; Q219-N223 VanDerWaalsContact O-CB 3.25Å; Q219-N223 WeakPolarHBondContact O-CB 3.4Å; Q219-N223 PolarHBondContact O-N 3.19Å; Q219-N223 PolarHBondContact OE1-ND2 2.77Å
224	A	96.4	Very high	97.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.008	10%	0.098	C	C	.	.	S	Bend	trans	-104.8	17.9	-174.7	0	0	0	0	0	114.3	M166 Y192 L220 H226 V227 I230	M166-A224 HydrophobicContact CE-CB 4.32Å; Y192-A224 HydrophobicContact CG-CB 4.04Å; L220-A224 HydrophobicContact CG-CB 4.42Å; L220-A224 CarbonylContact O-C 3.49Å; L220-A224 VanDerWaalsContact O-CA 3.31Å; L220-A224 WeakPolarHBondContact O-CA 3.1Å; L220-A224 VanDerWaalsContact O-CB 3.3Å; L220-A224 WeakPolarHBondContact O-CB 3.45Å; L220-A224 PolarHBondContact O-N 3.34Å; A224-H226 PolarHBondContact O-N 2.94Å; A224-H226 VanDerWaalsContact O-N 3.1Å; A224-V227 HydrophobicContact CB-CB 4.19Å; A224-V227 HydrophobicContact CB-CG2 3.65Å; A224-V227 WeakPolarHBondContact O-CB 3.44Å; A224-V227 PolarHBondContact O-N 3.23Å; A224-I230 HydrophobicContact CB-CD1 4.13Å
225	S	94.2	Very high	97.8	Very high	12 Å²	12	14.5 Å²	14.5	8%	0.084	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.3	175.3	50.1	0	0	0	0	114	L221 Q267	L221-S225 WeakPolarHBondContact O-CB 3.41Å; S225-Q267 PolarHBondContact O-NE2 2.84Å
226	H	97	Very high	97.9	Very high	86 Å²	86	14.3 Å²	14.3	40%	0.398	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	7.8	176.2	-65.4	-73.5	0	0	0	114.3	S169 A224 H272	S169-H226 WeakPolarHBondContact OG-CB 3.4Å; S169-H226 PolarHBondContact OG-O 3.38Å; S169-H226 VanDerWaalsContact OG-O 3.09Å; A224-H226 PolarHBondContact O-N 2.94Å; A224-H226 VanDerWaalsContact O-N 3.1Å; H226-H272 AromaticContact ND1-CE1 3.89Å
227	V	98.6	Very high	97.9	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.03	8%	0.08	C	C	.	.			trans	-78.5	124.8	169	177.6	0	0	0	0	108.2	I165 M166 T175 I177 A224 I230	I165-V227 HydrophobicContact CG2-CG2 4.16Å; M166-V227 HydrophobicContact CE-CG2 3.46Å; M166-V227 VanDerWaalsContact CE-CG2 3.46Å; T175-V227 WeakPolarHBondContact O-CG1 3.35Å; I177-V227 HydrophobicContact CD1-CG1 4.3Å; I177-V227 HydrophobicContact CG1-CG1 4.46Å; A224-V227 HydrophobicContact CB-CB 4.19Å; A224-V227 HydrophobicContact CB-CG2 3.65Å; A224-V227 WeakPolarHBondContact O-CB 3.44Å; A224-V227 PolarHBondContact O-N 3.23Å; V227-I230 HydrophobicContact CB-CD1 4.13Å; V227-I230 HydrophobicContact CB-CG1 4.19Å; V227-I230 HydrophobicContact CG1-CD1 4.11Å; V227-I230 HydrophobicContact CG1-CG1 3.65Å
228	N	98.8	Very high	97.9	Very high	15 Å²	15	14.5 Å²	14.5	8%	0.08	8%	0.08	C	C	.	.	S	Bend	trans	-72.5	-34.3	-172	-66.8	97.9	0	0	0	112.9	S174 T175 D292 Y293 V294 L326	S174-N228 WeakPolarHBondContact CA-OD1 3.36Å; S174-N228 WeakPolarHBondContact CB-OD1 3.48Å; S174-N228 PolarHBondContact OG-OD1 3.32Å; T175-N228 PolarHBondContact N-OD1 3.44Å; T175-N228 VanDerWaalsContact N-OD1 3.16Å; T175-N228 WeakPolarHBondContact O-CB 3.3Å; T175-N228 PolarHBondContact O-N 2.67Å; N228-D292 WeakPolarHBondContact CB-O 3.46Å; N228-D292 PolarHBondContact ND2-O 3.23Å; N228-Y293 CarbonylContact O-C 3.46Å; N228-Y293 WeakPolarHBondContact O-CA 3.48Å; N228-V294 PolarHBondContact O-N 2.68Å; N228-L326 HydrophobicContact CB-CD2 3.55Å
229	V	98.9	Very high	97.9	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119.3	-176	-179.3	0	0	0	0	109.9	T175 G176 I177 M231 V294 A322 V325 L326	T175-V229 PolarHBondContact O-N 2.77Å; G176-V229 CarbonylContact C-O 3.57Å; G176-V229 WeakPolarHBondContact CA-O 3.35Å; I177-V229 PolarHBondContact N-O 2.89Å; V229-M231 HydrophobicContact CG1-CE 3.47Å; V229-M231 VanDerWaalsContact CG1-CE 3.47Å; V229-M231 HydrophobicContact CG1-CG 4.03Å; V229-M231 HydrophobicContact CG1-SD 4.24Å; V229-V294 HydrophobicContact CG1-CB 4.43Å; V229-V294 HydrophobicContact CG2-CB 4.47Å; V229-V294 HydrophobicContact CG2-CG2 4.45Å; V229-A322 HydrophobicContact CB-CB 4.41Å; V229-A322 HydrophobicContact CG1-CB 3.85Å; V229-V325 HydrophobicContact CG2-CB 3.7Å; V229-V325 HydrophobicContact CG2-CG1 3.67Å; V229-V325 HydrophobicContact CG2-CG2 4.23Å; V229-L326 HydrophobicContact CB-CD2 4.47Å; V229-L326 HydrophobicContact CG2-CD2 3.97Å; V229-L326 HydrophobicContact CG2-CG 4.21Å
230	I	98.9	Very high	97.8	Very high	3 Å²	3	14 Å²	14	2%	0.015	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.4	169.7	-56.3	177.2	0	0	0	107.4	I177 V183 L220 A224 V227 V294 L295 G296	I177-I230 HydrophobicContact CD1-CG1 4.44Å; I177-I230 CarbonylContact O-C 3.37Å; I177-I230 VanDerWaalsContact O-CA 3.3Å; I177-I230 WeakPolarHBondContact O-CA 3.43Å; V183-I230 HydrophobicContact CB-CG2 3.95Å; V183-I230 HydrophobicContact CG1-CG2 3.78Å; V183-I230 HydrophobicContact CG2-CG2 4.44Å; L220-I230 HydrophobicContact CD1-CD1 3.96Å; L220-I230 HydrophobicContact CD1-CG2 4.23Å; L220-I230 HydrophobicContact CD2-CD1 3.98Å; L220-I230 HydrophobicContact CG-CD1 3.9Å; A224-I230 HydrophobicContact CB-CD1 4.13Å; V227-I230 HydrophobicContact CB-CD1 4.13Å; V227-I230 HydrophobicContact CB-CG1 4.19Å; V227-I230 HydrophobicContact CG1-CD1 4.11Å; V227-I230 HydrophobicContact CG1-CG1 3.65Å; I230-V294 PolarHBondContact N-O 2.88Å; I230-L295 HydrophobicContact CB-CD1 4.05Å; I230-L295 HydrophobicContact CG2-CD1 4.09Å; I230-L295 CarbonylContact O-C 3.51Å; I230-L295 WeakPolarHBondContact O-CA 3.27Å; I230-G296 PolarHBondContact O-N 3.37Å
231	M	98.9	Very high	97.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.7	-178.5	-70.9	-172.6	-61.7	0	0	111.9	I177 V178 T179 V229 F283 V294 G296 F298 M318 A321 A322	I177-M231 PolarHBondContact O-N 3.42Å; V178-M231 CarbonylContact C-O 3.46Å; V178-M231 WeakPolarHBondContact CA-O 3.43Å; V178-M231 HydrophobicContact CG2-CB 4.44Å; V178-M231 HydrophobicContact CG2-CE 3.95Å; T179-M231 PolarHBondContact N-O 3.44Å; V229-M231 HydrophobicContact CG1-CE 3.47Å; V229-M231 VanDerWaalsContact CG1-CE 3.47Å; V229-M231 HydrophobicContact CG1-CG 4.03Å; V229-M231 HydrophobicContact CG1-SD 4.24Å; M231-F283 HydrophobicContact SD-CD2 4.41Å; M231-F283 HydrophobicContact SD-CE2 3.86Å; M231-V294 HydrophobicContact CG-CG1 4.19Å; M231-V294 HydrophobicContact SD-CG1 4.2Å; M231-G296 CarbonylContact C-O 3.6Å; M231-G296 VanDerWaalsContact CA-O 3.27Å; M231-G296 WeakPolarHBondContact CA-O 3.3Å; M231-F298 HydrophobicContact CB-CE2 4.1Å; M231-F298 HydrophobicContact CG-CE2 4.17Å; M231-F298 HydrophobicContact CG-CZ 4.49Å; M231-F298 HydrophobicContact SD-CE2 4.28Å; M231-F298 HydrophobicContact SD-CZ 4.31Å; M231-M318 HydrophobicContact CB-CG 4.4Å; M231-M318 HydrophobicContact CB-SD 3.89Å; M231-M318 HydrophobicContact CE-CB 3.93Å; M231-M318 HydrophobicContact CE-CG 4.49Å; M231-M318 WeakPolarHBondContact CE-O 3.36Å; M231-M318 HydrophobicContact SD-CG 4.46Å; M231-A321 HydrophobicContact CE-CB 4.03Å; M231-A321 HydrophobicContact SD-CB 4.49Å; M231-A322 HydrophobicContact CE-CB 4.05Å
232	G	98.9	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-145.3	177	0	0	0	0	0	111.3	T179 G296 L297 F298	T179-G232 WeakPolarHBondContact O-CA 3.31Å; G232-G296 PolarHBondContact N-O 3.45Å; G232-L297 CarbonylContact O-C 3.49Å; G232-L297 VanDerWaalsContact O-CA 3.3Å; G232-L297 WeakPolarHBondContact O-CA 3.46Å; G232-F298 PolarHBondContact O-N 3.11Å
233	G	98.7	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-163.9	175.6	0	0	0	0	0	112.1	T181 R182 V183 N301 L303	T181-G233 WeakPolarHBondContact O-CA 3.4Å; T181-G233 PolarHBondContact O-N 2.98Å; R182-G233 WeakPolarHBondContact CA-O 3.47Å; V183-G233 PolarHBondContact N-O 3.22Å; G233-N301 CarbonylContact C-O 3.59Å; G233-N301 WeakPolarHBondContact CA-O 3.39Å; G233-L303 VanDerWaalsContact N-CD1 3.26Å
234	G	98.5	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.			trans	92.3	24.2	171.6	0	0	0	0	0	114.3	A236 E237 F238 A299 P300 N301	G234-A236 PolarHBondContact O-N 3.28Å; G234-A236 VanDerWaalsContact O-N 3.11Å; G234-E237 WeakPolarHBondContact O-CB 3.12Å; G234-E237 WeakPolarHBondContact O-CG 3.43Å; G234-E237 PolarHBondContact O-N 3.12Å; G234-F238 WeakPolarHBondContact O-CD2 3.31Å; G234-A299 PolarHBondContact N-O 3.04Å; G234-P300 CarbonylContact C-O 3.54Å; G234-P300 WeakPolarHBondContact CA-O 3.48Å; G234-N301 PolarHBondContact N-O 2.91Å
235	A	98.4	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-52.7	-36.1	178.8	0	0	0	0	0	112.6	E237 F238 Y239 F247 L297 A299 P300	A235-E237 PolarHBondContact O-N 2.9Å; A235-E237 VanDerWaalsContact O-N 3.09Å; A235-F238 PolarHBondContact O-N 3.35Å; A235-F238 VanDerWaalsContact O-N 3.08Å; A235-Y239 VanDerWaalsContact C-CE1 3.41Å; A235-Y239 HydrophobicContact CB-CE1 4.23Å; A235-Y239 WeakPolarHBondContact O-CD1 3.5Å; A235-Y239 WeakPolarHBondContact O-CE1 3.41Å; A235-F247 HydrophobicContact CB-CD2 3.68Å; A235-F247 HydrophobicContact CB-CE2 3.34Å; A235-F247 HydrophobicContact CB-CZ 4.34Å; A235-L297 HydrophobicContact CB-CB 3.92Å; A235-L297 HydrophobicContact CB-CD1 4.36Å; A235-A299 PolarHBondContact N-O 3.09Å; A235-P300 PolarHBondContact N-O 3.18Å
236	A	98	Very high	96.3	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.033	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-64.2	-14.9	-178.8	0	0	0	0	0	114.1	G234 F238 G251 K252 P300	G234-A236 PolarHBondContact O-N 3.28Å; G234-A236 VanDerWaalsContact O-N 3.11Å; A236-F238 VanDerWaalsContact C-N 3.26Å; A236-F238 PolarHBondContact O-N 2.84Å; A236-G251 CarbonylContact O-C 3.6Å; A236-G251 WeakPolarHBondContact O-CA 3.26Å; A236-K252 HydrophobicContact CB-CD 4.48Å; A236-K252 HydrophobicContact CB-CG 4.4Å; A236-K252 WeakPolarHBondContact O-CB 3.46Å; A236-K252 PolarHBondContact O-N 2.7Å; A236-P300 HydrophobicContact CB-CB 4.26Å; A236-P300 WeakPolarHBondContact CB-O 3.04Å; A236-P300 PolarHBondContact N-O 3.5Å; A236-P300 VanDerWaalsContact N-O 3.1Å
237	E	98.3	Very high	96	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.014	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-76	-14.2	176.1	-52.8	-61.9	159.9	0	0	113	R182 T184 E201 S202 A217 G234 A235 K252 R253	R182-E237 WeakPolarHBondContact CD-OE1 3.25Å; R182-E237 IonicContact NE-OE1 3.44Å; T184-E237 HydrophobicContact CG2-CB 4.14Å; T184-E237 HydrophobicContact CG2-CG 4.47Å; T184-E237 WeakPolarHBondContact OG1-CG 3.29Å; E201-E237 HydrophobicContact CB-CG 4.43Å; S202-E237 VanDerWaalsContact CB-O 3.25Å; S202-E237 WeakPolarHBondContact CB-O 3.3Å; S202-E237 WeakPolarHBondContact CB-OE2 3.33Å; S202-E237 PolarHBondContact OG-OE2 2.92Å; A217-E237 HydrophobicContact CB-CB 4.31Å; A217-E237 WeakPolarHBondContact CB-O 3.3Å; G234-E237 WeakPolarHBondContact O-CB 3.12Å; G234-E237 WeakPolarHBondContact O-CG 3.43Å; G234-E237 PolarHBondContact O-N 3.12Å; A235-E237 PolarHBondContact O-N 2.9Å; A235-E237 VanDerWaalsContact O-N 3.09Å; E237-K252 VanDerWaalsContact CD-CD 3.46Å; E237-K252 WeakPolarHBondContact OE1-CD 3.42Å; E237-K252 WeakPolarHBondContact OE1-CE 3.45Å; E237-K252 IonicContact OE1-NZ 2.67Å; E237-K252 PolarHBondContact OE1-NZ 2.89Å; E237-K252 VanDerWaalsContact OE2-CD 3.31Å; E237-K252 WeakPolarHBondContact OE2-CD 3.39Å; E237-R253 WeakPolarHBondContact O-CG 3.22Å
238	F	98.3	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-103.6	-5.2	-168.9	-67.8	-96.8	0	0	0	114.7	V183 T184 A217 L220 L221 G234 A235 A236 R253 N258 L259 L260 L297	V183-F238 HydrophobicContact CG2-CE2 3.87Å; V183-F238 HydrophobicContact CG2-CZ 3.76Å; T184-F238 HydrophobicContact CG2-CE2 3.88Å; T184-F238 HydrophobicContact CG2-CZ 3.78Å; A217-F238 HydrophobicContact CB-CD1 4.04Å; A217-F238 HydrophobicContact CB-CE1 3.85Å; A217-F238 HydrophobicContact CB-CE2 4.38Å; A217-F238 HydrophobicContact CB-CG 4.36Å; A217-F238 HydrophobicContact CB-CZ 4.02Å; L220-F238 HydrophobicContact CB-CE1 4.48Å; L220-F238 HydrophobicContact CD1-CE1 4.22Å; L220-F238 HydrophobicContact CD1-CZ 3.97Å; L220-F238 HydrophobicContact CD2-CE1 4.39Å; L221-F238 HydrophobicContact CD1-CD1 4.49Å; L221-F238 HydrophobicContact CD1-CE1 4.4Å; G234-F238 WeakPolarHBondContact O-CD2 3.31Å; A235-F238 PolarHBondContact O-N 3.35Å; A235-F238 VanDerWaalsContact O-N 3.08Å; A236-F238 VanDerWaalsContact C-N 3.26Å; A236-F238 PolarHBondContact O-N 2.84Å; F238-R253 VanDerWaalsContact C-CD 3.45Å; F238-R253 WeakPolarHBondContact O-CD 3.35Å; F238-N258 CarbonylContact O-C 3.57Å; F238-L259 HydrophobicContact CB-CB 4.09Å; F238-L259 HydrophobicContact CD1-CB 3.81Å; F238-L259 HydrophobicContact CD1-CD1 4.23Å; F238-L259 HydrophobicContact CG-CB 4.44Å; F238-L259 WeakPolarHBondContact O-CB 3.39Å; F238-L259 PolarHBondContact O-N 2.8Å; F238-L260 HydrophobicContact CB-CD1 4.44Å; F238-L260 HydrophobicContact CB-CD2 3.48Å; F238-L260 VanDerWaalsContact CB-CD2 3.48Å; F238-L260 HydrophobicContact CB-CG 3.67Å; F238-L260 HydrophobicContact CD1-CD2 4.07Å; F238-L260 HydrophobicContact CD2-CD2 4.44Å; F238-L260 HydrophobicContact CG-CD2 3.75Å; F238-L260 HydrophobicContact CG-CG 4.47Å; F238-L297 HydrophobicContact CD2-CD1 3.73Å; F238-L297 HydrophobicContact CE2-CD1 3.86Å; F238-L297 HydrophobicContact CG-CD1 4.24Å; F238-L297 HydrophobicContact CZ-CD1 4.46Å
239	Y	97.7	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-143.1	167	-178.3	59.5	-94.9	0	0	0	111.6	A235 D243 T245 V249 G251 K252 R253 L260	A235-Y239 VanDerWaalsContact C-CE1 3.41Å; A235-Y239 HydrophobicContact CB-CE1 4.23Å; A235-Y239 WeakPolarHBondContact O-CD1 3.5Å; A235-Y239 WeakPolarHBondContact O-CE1 3.41Å; Y239-D243 HydrophobicContact CD2-CB 3.88Å; Y239-D243 HydrophobicContact CG-CB 4.28Å; Y239-T245 HydrophobicContact CD1-CG2 3.7Å; Y239-T245 HydrophobicContact CD2-CG2 3.7Å; Y239-T245 HydrophobicContact CE1-CG2 3.63Å; Y239-T245 HydrophobicContact CE2-CG2 3.64Å; Y239-T245 HydrophobicContact CG-CG2 3.73Å; Y239-T245 PolarHBondContact OH-OG1 3.33Å; Y239-T245 VanDerWaalsContact OH-OG1 3.13Å; Y239-V249 VanDerWaalsContact CE2-O 3.25Å; Y239-V249 WeakPolarHBondContact CE2-O 3.36Å; Y239-V249 PolarHBondContact OH-O 3.25Å; Y239-G251 VanDerWaalsContact CD2-CA 3.44Å; Y239-G251 CarbonylContact O-C 3.55Å; Y239-G251 WeakPolarHBondContact O-CA 3.47Å; Y239-K252 PolarHBondContact O-N 2.79Å; Y239-K252 VanDerWaalsContact O-N 3.15Å; Y239-R253 WeakPolarHBondContact O-CB 3.13Å; Y239-R253 WeakPolarHBondContact O-CG 3.24Å; Y239-R253 PolarHBondContact O-N 2.92Å; Y239-L260 HydrophobicContact CD1-CD1 4.02Å
240	G	96.4	Very high	95.3	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	26%	0.257	C	S	.	.			trans	-87.9	169.8	-178.1	0	0	0	0	0	113.7	S242 D243 G251	G240-S242 PolarHBondContact O-N 3.16Å; G240-S242 VanDerWaalsContact O-N 3.09Å; G240-D243 WeakPolarHBondContact CA-OD2 3.03Å; G240-D243 PolarHBondContact N-OD2 2.75Å; G240-D243 PolarHBondContact O-N 2.64Å; G240-G251 PolarHBondContact O-N 3.04Å
241	P	95	Very high	95.2	Very high	75 Å²	75	46 Å²	46	49%	0.487	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.8	-179.8	-25.6	32.2	0	0	0	115.7	K250 G251 R253	P241-K250 HydrophobicContact CB-CB 4.44Å; P241-G251 WeakPolarHBondContact CG-O 3.18Å; P241-R253 VanDerWaalsContact CD-O 3.24Å; P241-R253 WeakPolarHBondContact CD-O 3.3Å
242	S	93.5	Very high	95.1	Very high	118 Å²	118	50.3 Å²	50.3	83%	0.825	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-6.8	-176.1	-55.4	0	0	0	0	113.6	G240	G240-S242 PolarHBondContact O-N 3.16Å; G240-S242 VanDerWaalsContact O-N 3.09Å
243	D	93.7	Very high	94.9	Very high	49 Å²	49	50.4 Å²	50.4	26%	0.262	28%	0.278	S	S	.	.			trans	-75	133.1	177.7	-70.1	-86	0	0	0	110.7	Y239 G240 T245 N258	Y239-D243 HydrophobicContact CD2-CB 3.88Å; Y239-D243 HydrophobicContact CG-CB 4.28Å; G240-D243 WeakPolarHBondContact CA-OD2 3.03Å; G240-D243 PolarHBondContact N-OD2 2.75Å; G240-D243 PolarHBondContact O-N 2.64Å; D243-T245 HydrophobicContact CB-CG2 4.4Å; D243-N258 PolarHBondContact OD1-ND2 3.16Å
244	N	89.2	Confident	94.6	Very high	163 Å²	163	54.2 Å²	54.2	87%	0.872	31%	0.305	S	S	*	.			trans	-85.3	118.5	171.5	-77.6	-12.5	0	0	0	109.6
245	T	88.9	Confident	94.3	Very high	34 Å²	34	57.2 Å²	57.2	21%	0.209	32%	0.321	C	S	.	.			trans	-128	167.6	179.1	70.3	0	0	0	0	111.6	Y239 D243 F247 N248	Y239-T245 HydrophobicContact CD1-CG2 3.7Å; Y239-T245 HydrophobicContact CD2-CG2 3.7Å; Y239-T245 HydrophobicContact CE1-CG2 3.63Å; Y239-T245 HydrophobicContact CE2-CG2 3.64Å; Y239-T245 HydrophobicContact CG-CG2 3.73Å; Y239-T245 PolarHBondContact OH-OG1 3.33Å; Y239-T245 VanDerWaalsContact OH-OG1 3.13Å; D243-T245 HydrophobicContact CB-CG2 4.4Å; T245-F247 PolarHBondContact O-N 2.87Å; T245-N248 PolarHBondContact O-N 3.11Å
246	T	88	Confident	94	Very high	85 Å²	85	62.9 Å²	62.9	52%	0.521	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.7	179.7	-49.7	0	0	0	0	113.5	H278 T279	T246-H278 HydrophobicContact CG2-CB 4.23Å; T246-T279 HydrophobicContact CG2-CG2 3.77Å
247	F	90.6	Very high	93.8	Very high	45 Å²	45	66.3 Å²	66.3	20%	0.197	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.3	-178.1	-63.3	-67.9	0	0	0	114.5	A235 T245 V249 H278 L297 P300	A235-F247 HydrophobicContact CB-CD2 3.68Å; A235-F247 HydrophobicContact CB-CE2 3.34Å; A235-F247 HydrophobicContact CB-CZ 4.34Å; T245-F247 PolarHBondContact O-N 2.87Å; F247-V249 HydrophobicContact CB-CB 4.38Å; F247-V249 HydrophobicContact CB-CG2 4.4Å; F247-V249 PolarHBondContact O-N 3.45Å; F247-V249 VanDerWaalsContact O-N 3.16Å; F247-H278 HydrophobicContact CE2-CB 4Å; F247-H278 AromaticContact CE2-CG 3.93Å; F247-H278 AromaticContact CE2-ND1 3.57Å; F247-H278 HydrophobicContact CZ-CB 3.93Å; F247-H278 WeakPolarHBondContact CZ-O 3.47Å; F247-L297 WeakPolarHBondContact CE2-O 3.41Å; F247-L297 WeakPolarHBondContact CZ-O 3.45Å; F247-P300 HydrophobicContact CB-CB 4.39Å; F247-P300 HydrophobicContact CG-CB 4.37Å
248	N	91.2	Very high	93.8	Very high	149 Å²	149	67.3 Å²	67.3	80%	0.797	38%	0.378	S	S	*	.			trans	51.2	34.2	-172	-165.5	32.4	0	0	0	113.4	T245	T245-N248 PolarHBondContact O-N 3.11Å
249	V	94.2	Very high	93.8	Very high	67 Å²	67	67.3 Å²	67.3	41%	0.406	38%	0.378	S	S	.	.			trans	-117.7	137.3	176.9	173.3	0	0	0	0	108.5	Y239 F247 G251 P300	Y239-V249 VanDerWaalsContact CE2-O 3.25Å; Y239-V249 WeakPolarHBondContact CE2-O 3.36Å; Y239-V249 PolarHBondContact OH-O 3.25Å; F247-V249 HydrophobicContact CB-CB 4.38Å; F247-V249 HydrophobicContact CB-CG2 4.4Å; F247-V249 PolarHBondContact O-N 3.45Å; F247-V249 VanDerWaalsContact O-N 3.16Å; V249-G251 PolarHBondContact O-N 3.45Å; V249-P300 HydrophobicContact CB-CB 4.14Å; V249-P300 HydrophobicContact CG1-CB 4.13Å; V249-P300 HydrophobicContact CG2-CB 4.33Å; V249-P300 HydrophobicContact CG2-CG 4.25Å
250	K	95.6	Very high	93.8	Very high	163 Å²	163	67.6 Å²	67.6	71%	0.709	38%	0.379	S	S	*	.			trans	-58	131.8	177.2	-66.8	-176.3	178.8	-179.4	0	111.3	P241	P241-K250 HydrophobicContact CB-CB 4.44Å
251	G	97.1	Very high	93.8	Very high	6 Å²	6	71.3 Å²	71.3	6%	0.062	40%	0.398	C	S	.	.			trans	-71.6	164.8	171.9	0	0	0	0	0	112.6	A236 Y239 G240 P241 V249	A236-G251 CarbonylContact O-C 3.6Å; A236-G251 WeakPolarHBondContact O-CA 3.26Å; Y239-G251 VanDerWaalsContact CD2-CA 3.44Å; Y239-G251 CarbonylContact O-C 3.55Å; Y239-G251 WeakPolarHBondContact O-CA 3.47Å; G240-G251 PolarHBondContact O-N 3.04Å; P241-G251 WeakPolarHBondContact CG-O 3.18Å; V249-G251 PolarHBondContact O-N 3.45Å
252	K	96.8	Very high	94	Very high	92 Å²	92	70.3 Å²	70.3	40%	0.4	39%	0.387	S	S	.	.			trans	-104.6	-10.8	-174.8	-67.5	173.9	173.8	-173.7	0	113.6	S202 A236 E237 Y239	S202-K252 WeakPolarHBondContact OG-CB 3.44Å; A236-K252 HydrophobicContact CB-CD 4.48Å; A236-K252 HydrophobicContact CB-CG 4.4Å; A236-K252 WeakPolarHBondContact O-CB 3.46Å; A236-K252 PolarHBondContact O-N 2.7Å; E237-K252 VanDerWaalsContact CD-CD 3.46Å; E237-K252 WeakPolarHBondContact OE1-CD 3.42Å; E237-K252 WeakPolarHBondContact OE1-CE 3.45Å; E237-K252 IonicContact OE1-NZ 2.67Å; E237-K252 PolarHBondContact OE1-NZ 2.89Å; E237-K252 VanDerWaalsContact OE2-CD 3.31Å; E237-K252 WeakPolarHBondContact OE2-CD 3.39Å; Y239-K252 PolarHBondContact O-N 2.79Å; Y239-K252 VanDerWaalsContact O-N 3.15Å
253	R	95.6	Very high	94.2	Very high	2 Å²	2	65 Å²	65	1%	0.008	35%	0.349	C	S	.	.			trans	-69	139.1	179.2	-62.2	-160.8	69.7	78.2	-0.1	111.5	D215 E237 F238 Y239 P241 D255 R257	D215-R253 IonicContact OD1-CZ 2.83Å; D215-R253 IonicContact OD1-NH1 2.68Å; D215-R253 PolarHBondContact OD1-NH1 3.12Å; D215-R253 IonicContact OD1-NH2 2.81Å; D215-R253 IonicContact OD2-CZ 3.47Å; D215-R253 IonicContact OD2-NH1 3.23Å; D215-R253 PolarHBondContact OD2-NH1 2.84Å; D215-R253 IonicContact OD2-NH2 3.69Å; D215-R253 PolarHBondContact OD2-NH2 2.8Å; E237-R253 WeakPolarHBondContact O-CG 3.22Å; F238-R253 VanDerWaalsContact C-CD 3.45Å; F238-R253 WeakPolarHBondContact O-CD 3.35Å; Y239-R253 WeakPolarHBondContact O-CB 3.13Å; Y239-R253 WeakPolarHBondContact O-CG 3.24Å; Y239-R253 PolarHBondContact O-N 2.92Å; P241-R253 VanDerWaalsContact CD-O 3.24Å; P241-R253 WeakPolarHBondContact CD-O 3.3Å; R253-D255 IonicContact CZ-OD1 3.96Å; R253-D255 IonicContact CZ-OD2 3.51Å; R253-D255 IonicContact NE-OD1 2.72Å; R253-D255 PolarHBondContact NE-OD1 3.13Å; R253-D255 IonicContact NE-OD2 3.49Å; R253-D255 IonicContact NH2-OD1 3.83Å; R253-D255 IonicContact NH2-OD2 2.86Å; R253-D255 PolarHBondContact NH2-OD2 3.04Å; R253-R257 WeakPolarHBondContact CD-O 3.26Å
254	S	91.3	Very high	94.4	Very high	79 Å²	79	66 Å²	66	55%	0.552	35%	0.352	S	S	*	.	S	Bend	trans	-108.7	1.2	178.4	59.5	0	0	0	0	114.4
255	D	93.2	Very high	94.8	Very high	64 Å²	64	63.2 Å²	63.2	34%	0.342	33%	0.334	S	S	.	.	S	Bend	trans	-103.4	12.8	-173.8	62.6	-4.7	0	0	0	113.6	R253 R257	R253-D255 IonicContact CZ-OD1 3.96Å; R253-D255 IonicContact CZ-OD2 3.51Å; R253-D255 IonicContact NE-OD1 2.72Å; R253-D255 PolarHBondContact NE-OD1 3.13Å; R253-D255 IonicContact NE-OD2 3.49Å; R253-D255 IonicContact NH2-OD1 3.83Å; R253-D255 IonicContact NH2-OD2 2.86Å; R253-D255 PolarHBondContact NH2-OD2 3.04Å; D255-R257 PolarHBondContact O-N 2.82Å; D255-R257 VanDerWaalsContact O-N 3.1Å; D255-R257 WeakPolarHBondContact OD1-CB 3.39Å; D255-R257 PolarHBondContact OD1-N 3.01Å; D255-R257 VanDerWaalsContact OD2-CD 3.28Å; D255-R257 WeakPolarHBondContact OD2-CD 3.48Å; D255-R257 IonicContact OD2-NH1 3.84Å
256	S	90.9	Very high	95.3	Very high	118 Å²	118	63.8 Å²	63.8	83%	0.825	34%	0.335	S	S	*	.	S	Bend	trans	60	14.7	-178.7	-52.9	0	0	0	0	114.8
257	R	95.2	Very high	95.8	Very high	76 Å²	76	59.7 Å²	59.7	29%	0.287	31%	0.31	S	S	.	.			trans	-85.6	142.5	175.9	-68.5	175.7	64.1	-158.4	5.1	110.9	R253 D255 L259 E262	R253-R257 WeakPolarHBondContact CD-O 3.26Å; D255-R257 PolarHBondContact O-N 2.82Å; D255-R257 VanDerWaalsContact O-N 3.1Å; D255-R257 WeakPolarHBondContact OD1-CB 3.39Å; D255-R257 PolarHBondContact OD1-N 3.01Å; D255-R257 VanDerWaalsContact OD2-CD 3.28Å; D255-R257 WeakPolarHBondContact OD2-CD 3.48Å; D255-R257 IonicContact OD2-NH1 3.84Å; R257-L259 HydrophobicContact CB-CD2 3.93Å; R257-E262 WeakPolarHBondContact CB-OE1 3.12Å; R257-E262 IonicContact CZ-OE1 2.85Å; R257-E262 IonicContact CZ-OE2 3.77Å; R257-E262 IonicContact NE-OE1 3Å; R257-E262 PolarHBondContact NE-OE1 2.84Å; R257-E262 IonicContact NE-OE2 3.84Å; R257-E262 PolarHBondContact NE-OE2 2.99Å; R257-E262 IonicContact NH2-OE1 2.68Å; R257-E262 IonicContact NH2-OE2 3.2Å; R257-E262 PolarHBondContact NH2-OE2 3.45Å
258	N	97.2	Very high	96.1	Very high	24 Å²	24	61.9 Å²	61.9	13%	0.128	33%	0.327	C	S	.	.			trans	-113.7	94.3	167	-171.7	-40.7	0	0	0	108	F238 D243 L260 N261 E262	F238-N258 CarbonylContact O-C 3.57Å; D243-N258 PolarHBondContact OD1-ND2 3.16Å; N258-L260 PolarHBondContact O-N 2.85Å; N258-L260 WeakPolarHBondContact OD1-CB 3.3Å; N258-L260 PolarHBondContact OD1-N 2.89Å; N258-N261 HydrophobicContact CB-CB 4.43Å; N258-N261 PolarHBondContact O-N 3.13Å; N258-N261 PolarHBondContact OD1-N 3.36Å; N258-E262 PolarHBondContact O-N 2.76Å; N258-E262 VanDerWaalsContact O-N 3.09Å
259	L	98	Very high	96.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69.7	-18.8	-175.2	-57.4	-170.6	0	0	0	112.9	A217 A218 L221 F238 R257 W263	A217-L259 HydrophobicContact CB-CD1 3.64Å; A218-L259 HydrophobicContact CB-CD1 4.34Å; L221-L259 HydrophobicContact CD1-CB 3.97Å; L221-L259 HydrophobicContact CD1-CD1 4.44Å; L221-L259 HydrophobicContact CD2-CB 4.03Å; L221-L259 HydrophobicContact CD2-CD2 4.12Å; F238-L259 HydrophobicContact CB-CB 4.09Å; F238-L259 HydrophobicContact CD1-CB 3.81Å; F238-L259 HydrophobicContact CD1-CD1 4.23Å; F238-L259 HydrophobicContact CG-CB 4.44Å; F238-L259 WeakPolarHBondContact O-CB 3.39Å; F238-L259 PolarHBondContact O-N 2.8Å; R257-L259 HydrophobicContact CB-CD2 3.93Å; L259-W263 VanDerWaalsContact O-CB 3.25Å; L259-W263 WeakPolarHBondContact O-CB 3.19Å; L259-W263 PolarHBondContact O-N 3.45Å
260	L	97.6	Very high	96.6	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-47.1	173.8	-56.9	-178.9	0	0	0	110.1	F238 Y239 N258 W263 Q264 L276 L295 L297	F238-L260 HydrophobicContact CB-CD1 4.44Å; F238-L260 HydrophobicContact CB-CD2 3.48Å; F238-L260 VanDerWaalsContact CB-CD2 3.48Å; F238-L260 HydrophobicContact CB-CG 3.67Å; F238-L260 HydrophobicContact CD1-CD2 4.07Å; F238-L260 HydrophobicContact CD2-CD2 4.44Å; F238-L260 HydrophobicContact CG-CD2 3.75Å; F238-L260 HydrophobicContact CG-CG 4.47Å; Y239-L260 HydrophobicContact CD1-CD1 4.02Å; N258-L260 PolarHBondContact O-N 2.85Å; N258-L260 WeakPolarHBondContact OD1-CB 3.3Å; N258-L260 PolarHBondContact OD1-N 2.89Å; L260-W263 PolarHBondContact O-N 3.47Å; L260-Q264 WeakPolarHBondContact O-CG 3.32Å; L260-Q264 PolarHBondContact O-N 2.83Å; L260-Q264 VanDerWaalsContact O-N 3.11Å; L260-L276 HydrophobicContact CB-CD2 3.92Å; L260-L276 HydrophobicContact CD2-CD1 4.27Å; L260-L295 HydrophobicContact CD2-CD2 4.36Å; L260-L297 HydrophobicContact CD2-CD1 3.65Å
261	N	97.1	Very high	96.7	Very high	81 Å²	81	62 Å²	62	43%	0.433	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-46.4	174.4	-65.3	-15.7	0	0	0	110.9	N258 W263 Q264 E265	N258-N261 HydrophobicContact CB-CB 4.43Å; N258-N261 PolarHBondContact O-N 3.13Å; N258-N261 PolarHBondContact OD1-N 3.36Å; N261-W263 VanDerWaalsContact C-N 3.3Å; N261-W263 PolarHBondContact O-N 3.05Å; N261-Q264 PolarHBondContact O-N 2.88Å; N261-E265 WeakPolarHBondContact O-CG 3.34Å; N261-E265 PolarHBondContact O-N 2.83Å
262	E	98.2	Very high	96.7	Very high	54 Å²	54	63.6 Å²	63.6	25%	0.252	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-39.8	177.9	-69.2	179.2	-144.2	0	0	112	L221 R257 N258 E265 I266	L221-E262 HydrophobicContact CD2-CB 3.54Å; R257-E262 WeakPolarHBondContact CB-OE1 3.12Å; R257-E262 IonicContact CZ-OE1 2.85Å; R257-E262 IonicContact CZ-OE2 3.77Å; R257-E262 IonicContact NE-OE1 3Å; R257-E262 PolarHBondContact NE-OE1 2.84Å; R257-E262 IonicContact NE-OE2 3.84Å; R257-E262 PolarHBondContact NE-OE2 2.99Å; R257-E262 IonicContact NH2-OE1 2.68Å; R257-E262 IonicContact NH2-OE2 3.2Å; R257-E262 PolarHBondContact NH2-OE2 3.45Å; N258-E262 PolarHBondContact O-N 2.76Å; N258-E262 VanDerWaalsContact O-N 3.09Å; E262-E265 PolarHBondContact O-N 2.91Å; E262-I266 VanDerWaalsContact O-CG1 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.37Å; E262-I266 PolarHBondContact O-N 2.69Å
263	W	98.3	Very high	96.8	Very high	6 Å²	6	65.5 Å²	65.5	2%	0.023	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-47.7	175.9	-179.4	89.6	0	0	0	111.2	L221 L259 L260 N261 E265 I266 Q267 H274 V275 L276 L295	L221-W263 HydrophobicContact CD1-CB 4.29Å; L221-W263 HydrophobicContact CD2-CB 4.42Å; L221-W263 HydrophobicContact CG-CB 4.1Å; L259-W263 VanDerWaalsContact O-CB 3.25Å; L259-W263 WeakPolarHBondContact O-CB 3.19Å; L259-W263 PolarHBondContact O-N 3.45Å; L260-W263 PolarHBondContact O-N 3.47Å; N261-W263 VanDerWaalsContact C-N 3.3Å; N261-W263 PolarHBondContact O-N 3.05Å; W263-E265 VanDerWaalsContact C-N 3.3Å; W263-E265 PolarHBondContact O-N 3.35Å; W263-I266 PolarHBondContact O-N 2.65Å; W263-Q267 HydrophobicContact CD2-CG 3.91Å; W263-Q267 HydrophobicContact CE3-CG 4.19Å; W263-Q267 HydrophobicContact CH2-CG 4.02Å; W263-Q267 HydrophobicContact CZ2-CG 3.71Å; W263-Q267 HydrophobicContact CZ3-CG 4.25Å; W263-Q267 WeakPolarHBondContact O-CG 3.37Å; W263-Q267 PolarHBondContact O-N 2.81Å; W263-H274 HydrophobicContact CH2-CB 3.98Å; W263-H274 HydrophobicContact CZ3-CB 4.41Å; W263-H274 AromaticContact CZ3-CD2 3.87Å; W263-V275 WeakPolarHBondContact CH2-O 3.01Å; W263-L276 HydrophobicContact CZ3-CB 4.14Å; W263-L295 HydrophobicContact CB-CD2 4.4Å; W263-L295 HydrophobicContact CD2-CB 4.1Å; W263-L295 HydrophobicContact CD2-CD2 3.77Å; W263-L295 HydrophobicContact CE3-CB 4.13Å; W263-L295 HydrophobicContact CE3-CD2 4.12Å; W263-L295 HydrophobicContact CG-CD2 3.88Å; W263-L295 HydrophobicContact CH2-CB 3.63Å; W263-L295 HydrophobicContact CZ2-CB 3.58Å; W263-L295 HydrophobicContact CZ3-CB 3.9Å
264	Q	98.1	Very high	96.9	Very high	72 Å²	72	67.8 Å²	67.8	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-40.2	176.6	-68.3	-176.5	-74.6	0	0	112	L260 N261 Q267 T268 H274 L276	L260-Q264 WeakPolarHBondContact O-CG 3.32Å; L260-Q264 PolarHBondContact O-N 2.83Å; L260-Q264 VanDerWaalsContact O-N 3.11Å; N261-Q264 PolarHBondContact O-N 2.88Å; Q264-Q267 PolarHBondContact O-N 2.79Å; Q264-T268 VanDerWaalsContact O-CB 3.31Å; Q264-T268 WeakPolarHBondContact O-CB 3.29Å; Q264-T268 PolarHBondContact O-N 3.04Å; Q264-T268 PolarHBondContact O-OG1 2.77Å; Q264-H274 PolarHBondContact O-NE2 2.75Å; Q264-L276 HydrophobicContact CG-CB 4.3Å; Q264-L276 HydrophobicContact CG-CD2 4.24Å
265	E	98.3	Very high	97.3	Very high	103 Å²	103	65.6 Å²	65.6	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-62.4	-43.6	175.2	-74.6	-175.2	-158.9	0	0	112.5	N261 E262 W263 T268 K269	N261-E265 WeakPolarHBondContact O-CG 3.34Å; N261-E265 PolarHBondContact O-N 2.83Å; E262-E265 PolarHBondContact O-N 2.91Å; W263-E265 VanDerWaalsContact C-N 3.3Å; W263-E265 PolarHBondContact O-N 3.35Å; E265-T268 PolarHBondContact O-N 3.45Å; E265-K269 WeakPolarHBondContact O-CB 3.42Å; E265-K269 WeakPolarHBondContact O-CD 3.41Å; E265-K269 VanDerWaalsContact O-CG 3.23Å; E265-K269 WeakPolarHBondContact O-CG 3.45Å; E265-K269 PolarHBondContact O-N 2.83Å; E265-K269 IonicContact OE2-NZ 2.99Å; E265-K269 PolarHBondContact OE2-NZ 2.9Å
266	I	98.2	Very high	97.5	Very high	46 Å²	46	63.9 Å²	63.9	24%	0.236	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-49.9	177.1	-71.4	165.1	0	0	0	109.9	L221 E262 W263 T268 K269 M270	L221-I266 HydrophobicContact CB-CD1 4.17Å; L221-I266 HydrophobicContact CD2-CD1 4.2Å; L221-I266 HydrophobicContact CG-CD1 4.34Å; E262-I266 VanDerWaalsContact O-CG1 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.37Å; E262-I266 PolarHBondContact O-N 2.69Å; W263-I266 PolarHBondContact O-N 2.65Å; I266-T268 VanDerWaalsContact C-N 3.33Å; I266-T268 PolarHBondContact O-N 3.11Å; I266-K269 PolarHBondContact O-N 3.4Å; I266-M270 HydrophobicContact CG2-CE 3.86Å; I266-M270 HydrophobicContact CG2-SD 4.2Å; I266-M270 WeakPolarHBondContact O-CG 3.3Å; I266-M270 PolarHBondContact O-N 2.97Å
267	Q	98.4	Very high	97.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-39.2	-179.7	-62.3	-58.9	-24.9	0	0	112	S225 W263 Q264 M270 N271 H272 H274	S225-Q267 PolarHBondContact O-NE2 2.84Å; W263-Q267 HydrophobicContact CD2-CG 3.91Å; W263-Q267 HydrophobicContact CE3-CG 4.19Å; W263-Q267 HydrophobicContact CH2-CG 4.02Å; W263-Q267 HydrophobicContact CZ2-CG 3.71Å; W263-Q267 HydrophobicContact CZ3-CG 4.25Å; W263-Q267 WeakPolarHBondContact O-CG 3.37Å; W263-Q267 PolarHBondContact O-N 2.81Å; Q264-Q267 PolarHBondContact O-N 2.79Å; Q267-M270 PolarHBondContact O-N 2.88Å; Q267-N271 PolarHBondContact O-N 3.34Å; Q267-H272 HydrophobicContact CB-CB 4.42Å; Q267-H272 PolarHBondContact O-N 2.83Å; Q267-H272 PolarHBondContact OE1-ND1 2.95Å; Q267-H274 HydrophobicContact CB-CB 3.76Å; Q267-H274 WeakPolarHBondContact CB-ND1 3.49Å; Q267-H274 HydrophobicContact CG-CB 4.03Å
268	T	98.3	Very high	98	Very high	90 Å²	90	55.8 Å²	55.8	55%	0.552	28%	0.275	S	S	*	.	H	α-helix	trans	-62.6	-45.5	174.4	-58.9	0	0	0	0	111.5	Q264 E265 I266 M270 N271 H274	Q264-T268 VanDerWaalsContact O-CB 3.31Å; Q264-T268 WeakPolarHBondContact O-CB 3.29Å; Q264-T268 PolarHBondContact O-N 3.04Å; Q264-T268 PolarHBondContact O-OG1 2.77Å; E265-T268 PolarHBondContact O-N 3.45Å; I266-T268 VanDerWaalsContact C-N 3.33Å; I266-T268 PolarHBondContact O-N 3.11Å; T268-M270 VanDerWaalsContact C-N 3.26Å; T268-M270 PolarHBondContact O-N 3.41Å; T268-N271 PolarHBondContact O-N 3.31Å; T268-H274 PolarHBondContact OG1-CE1 3.38Å
269	K	98.2	Very high	98	Very high	161 Å²	161	56.6 Å²	56.6	70%	0.7	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-31.4	177.8	-74.8	165.3	-173.8	156.7	0	112.4	E265 I266 N271	E265-K269 WeakPolarHBondContact O-CB 3.42Å; E265-K269 WeakPolarHBondContact O-CD 3.41Å; E265-K269 VanDerWaalsContact O-CG 3.23Å; E265-K269 WeakPolarHBondContact O-CG 3.45Å; E265-K269 PolarHBondContact O-N 2.83Å; E265-K269 IonicContact OE2-NZ 2.99Å; E265-K269 PolarHBondContact OE2-NZ 2.9Å; I266-K269 PolarHBondContact O-N 3.4Å; K269-N271 VanDerWaalsContact C-N 3.26Å; K269-N271 PolarHBondContact O-N 2.97Å
270	M	97.2	Very high	98	Very high	72 Å²	72	57 Å²	57	36%	0.355	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.2	174.3	-66.1	-178.7	178.3	0	0	113.7	I266 Q267 T268 H272	I266-M270 HydrophobicContact CG2-CE 3.86Å; I266-M270 HydrophobicContact CG2-SD 4.2Å; I266-M270 WeakPolarHBondContact O-CG 3.3Å; I266-M270 PolarHBondContact O-N 2.97Å; Q267-M270 PolarHBondContact O-N 2.88Å; T268-M270 VanDerWaalsContact C-N 3.26Å; T268-M270 PolarHBondContact O-N 3.41Å; M270-H272 PolarHBondContact O-CD2 2.78Å; M270-H272 PolarHBondContact O-N 2.78Å; M270-H272 VanDerWaalsContact SD-CE1 3.58Å
271	N	97.7	Very high	98	Very high	149 Å²	149	60.8 Å²	60.8	80%	0.797	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	32.4	-175.2	-165.7	52	0	0	0	113	Q267 T268 K269	Q267-N271 PolarHBondContact O-N 3.34Å; T268-N271 PolarHBondContact O-N 3.31Å; K269-N271 VanDerWaalsContact C-N 3.26Å; K269-N271 PolarHBondContact O-N 2.97Å
272	H	98	Very high	98.1	Very high	40 Å²	40	60 Å²	60	19%	0.185	30%	0.297	C	S	.	.			trans	-82.3	138.3	177	-71.7	173.8	0	0	0	110.7	H226 Q267 M270 H274 Y293	H226-H272 AromaticContact ND1-CE1 3.89Å; Q267-H272 HydrophobicContact CB-CB 4.42Å; Q267-H272 PolarHBondContact O-N 2.83Å; Q267-H272 PolarHBondContact OE1-ND1 2.95Å; M270-H272 PolarHBondContact O-CD2 2.78Å; M270-H272 PolarHBondContact O-N 2.78Å; M270-H272 VanDerWaalsContact SD-CE1 3.58Å; H272-H274 PolarHBondContact O-N 3.25Å; H272-H274 PolarHBondContact O-ND1 2.97Å; H272-Y293 HydrophobicContact CB-CD2 3.52Å; H272-Y293 HydrophobicContact CB-CE2 3.81Å; H272-Y293 HydrophobicContact CB-CG 4.27Å; H272-Y293 AromaticContact CD2-CE2 3.71Å; H272-Y293 AromaticContact CE1-CE2 3.69Å; H272-Y293 AromaticContact CE1-CZ 3.47Å; H272-Y293 VanDerWaalsContact CE1-CZ 3.47Å; H272-Y293 AromaticContact CG-CD2 3.59Å; H272-Y293 AromaticContact CG-CE2 3.35Å; H272-Y293 AromaticContact CG-CZ 3.97Å; H272-Y293 AromaticContact ND1-CD2 3.63Å; H272-Y293 AromaticContact ND1-CE1 3.9Å; H272-Y293 AromaticContact ND1-CE2 3.34Å; H272-Y293 VanDerWaalsContact ND1-CE2 3.34Å; H272-Y293 WeakPolarHBondContact ND1-CE2 3.12Å; H272-Y293 AromaticContact ND1-CZ 3.49Å; H272-Y293 AromaticContact NE2-CE2 3.91Å; H272-Y293 AromaticContact NE2-CZ 3.93Å
273	K	98.3	Very high	98.1	Very high	132 Å²	132	58 Å²	58	57%	0.574	29%	0.288	S	S	*	.			trans	-75.5	103	167.7	-63.8	-178.8	-174.5	174.4	0	108.4	S290 D292 Y293	K273-S290 WeakPolarHBondContact CD-O 3.32Å; K273-D292 PolarHBondContact O-N 2.94Å; K273-Y293 PolarHBondContact O-N 2.74Å
274	H	98.6	Very high	98.1	Very high	49 Å²	49	64 Å²	64	23%	0.227	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	157.2	-170.4	65.4	-80	0	0	0	112.7	W263 Q264 Q267 T268 H272 Y293	W263-H274 HydrophobicContact CH2-CB 3.98Å; W263-H274 HydrophobicContact CZ3-CB 4.41Å; W263-H274 AromaticContact CZ3-CD2 3.87Å; Q264-H274 PolarHBondContact O-NE2 2.75Å; Q267-H274 HydrophobicContact CB-CB 3.76Å; Q267-H274 WeakPolarHBondContact CB-ND1 3.49Å; Q267-H274 HydrophobicContact CG-CB 4.03Å; T268-H274 PolarHBondContact OG1-CE1 3.38Å; H272-H274 PolarHBondContact O-N 3.25Å; H272-H274 PolarHBondContact O-ND1 2.97Å; H274-Y293 CarbonylContact C-O 3.46Å; H274-Y293 WeakPolarHBondContact CA-O 3.43Å
275	V	98.5	Very high	98.1	Very high	33 Å²	33	67.2 Å²	67.2	20%	0.2	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.5	173.7	74.8	0	0	0	0	111	W263 L277 V291 Y293 V294 L295	W263-V275 WeakPolarHBondContact CH2-O 3.01Å; V275-L277 HydrophobicContact CB-CD2 4.5Å; V275-L277 HydrophobicContact CG1-CD1 4.12Å; V275-L277 HydrophobicContact CG1-CD2 4.19Å; V275-L277 HydrophobicContact CG1-CG 3.98Å; V275-L277 HydrophobicContact CG2-CD2 3.51Å; V275-L277 HydrophobicContact CG2-CG 4.08Å; V275-V291 HydrophobicContact CB-CG1 4.17Å; V275-V291 HydrophobicContact CB-CG2 4.47Å; V275-V291 HydrophobicContact CG1-CG1 3.79Å; V275-V291 HydrophobicContact CG1-CG2 4.44Å; V275-Y293 PolarHBondContact N-O 2.86Å; V275-V294 HydrophobicContact CG1-CB 4.33Å; V275-V294 HydrophobicContact CG1-CG1 4.05Å; V275-V294 HydrophobicContact CG1-CG2 4.05Å; V275-L295 PolarHBondContact O-N 2.88Å
276	L	98.2	Very high	98.1	Very high	29 Å²	29	63.4 Å²	63.4	15%	0.152	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.2	168.5	174.6	63.3	0	0	0	107.8	L260 W263 Q264 L295	L260-L276 HydrophobicContact CB-CD2 3.92Å; L260-L276 HydrophobicContact CD2-CD1 4.27Å; W263-L276 HydrophobicContact CZ3-CB 4.14Å; Q264-L276 HydrophobicContact CG-CB 4.3Å; Q264-L276 HydrophobicContact CG-CD2 4.24Å; L276-L295 CarbonylContact C-O 3.43Å; L276-L295 WeakPolarHBondContact CA-O 3.25Å; L276-L295 HydrophobicContact CD1-CB 4.09Å; L276-L295 HydrophobicContact CD1-CD2 3.94Å; L276-L295 HydrophobicContact CD1-CG 3.86Å; L276-L295 WeakPolarHBondContact CD1-O 3.41Å
277	L	98.5	Very high	98.1	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.5	-175.5	-53.5	170.9	0	0	0	110.7	V275 E282 T286 W288 V294 L295 G296 L297 F298	V275-L277 HydrophobicContact CB-CD2 4.5Å; V275-L277 HydrophobicContact CG1-CD1 4.12Å; V275-L277 HydrophobicContact CG1-CD2 4.19Å; V275-L277 HydrophobicContact CG1-CG 3.98Å; V275-L277 HydrophobicContact CG2-CD2 3.51Å; V275-L277 HydrophobicContact CG2-CG 4.08Å; L277-E282 HydrophobicContact CD2-CB 3.76Å; L277-T286 WeakPolarHBondContact CD2-OG1 3.45Å; L277-W288 HydrophobicContact CD1-CH2 3.74Å; L277-W288 HydrophobicContact CD1-CZ3 4.2Å; L277-V294 HydrophobicContact CD1-CG1 4.07Å; L277-L295 PolarHBondContact N-O 2.89Å; L277-G296 WeakPolarHBondContact O-CA 3.48Å; L277-L297 PolarHBondContact O-N 2.73Å; L277-F298 HydrophobicContact CB-CE1 3.82Å; L277-F298 HydrophobicContact CB-CZ 4.28Å; L277-F298 HydrophobicContact CD1-CZ 4.46Å
278	H	97.9	Very high	98.1	Very high	19 Å²	19	66.9 Å²	66.9	9%	0.088	33%	0.33	C	S	.	.			trans	-127.6	-15.9	178.2	-70.7	-49.8	0	0	0	114.4	T246 F247 E282 L297	T246-H278 HydrophobicContact CG2-CB 4.23Å; F247-H278 HydrophobicContact CE2-CB 4Å; F247-H278 AromaticContact CE2-CG 3.93Å; F247-H278 AromaticContact CE2-ND1 3.57Å; F247-H278 HydrophobicContact CZ-CB 3.93Å; F247-H278 WeakPolarHBondContact CZ-O 3.47Å; H278-E282 WeakPolarHBondContact CA-OE2 3.4Å; H278-E282 PolarHBondContact N-OE2 3.02Å; H278-L297 WeakPolarHBondContact CA-O 3.41Å; H278-L297 PolarHBondContact ND1-O 2.91Å
279	T	97.4	Very high	98.1	Very high	41 Å²	41	66.5 Å²	66.5	25%	0.252	33%	0.331	S	S	.	.	S	Bend	trans	-127	155.5	-176.2	68.7	0	0	0	0	112.1	T246 N281 E282 F283	T246-T279 HydrophobicContact CG2-CG2 3.77Å; T279-N281 PolarHBondContact O-N 3.48Å; T279-E282 PolarHBondContact N-OE2 2.89Å; T279-E282 PolarHBondContact O-N 3.4Å; T279-E282 VanDerWaalsContact OG1-CD 3.24Å; T279-E282 WeakPolarHBondContact OG1-CG 3.23Å; T279-E282 PolarHBondContact OG1-N 3.32Å; T279-E282 VanDerWaalsContact OG1-N 3.16Å; T279-E282 PolarHBondContact OG1-OE2 3.36Å; T279-F283 PolarHBondContact O-N 3.08Å
280	N	97.6	Very high	98	Very high	9 Å²	9	61.4 Å²	61.4	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-26.6	174.4	-173.6	35.4	0	0	0	112.7	F283 K284 D311	N280-F283 PolarHBondContact O-N 3.02Å; N280-K284 PolarHBondContact ND2-NZ 3.41Å; N280-K284 WeakPolarHBondContact O-CB 3.49Å; N280-K284 VanDerWaalsContact O-CG 3.3Å; N280-K284 WeakPolarHBondContact O-CG 3.44Å; N280-K284 PolarHBondContact O-N 3.47Å; N280-K284 WeakPolarHBondContact OD1-CE 3.33Å; N280-D311 WeakPolarHBondContact CB-O 3.46Å; N280-D311 WeakPolarHBondContact CB-OD1 3.34Å; N280-D311 PolarHBondContact ND2-OD1 3.41Å
281	N	98.1	Very high	98	Very high	86 Å²	86	58.6 Å²	58.6	46%	0.46	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-48.4	172.1	179.8	72.7	0	0	0	111.6	T279 F283 K284 Q285	T279-N281 PolarHBondContact O-N 3.48Å; N281-F283 VanDerWaalsContact C-N 3.28Å; N281-F283 PolarHBondContact O-N 2.88Å; N281-K284 PolarHBondContact O-N 2.88Å; N281-Q285 PolarHBondContact ND2-NE2 3.5Å; N281-Q285 PolarHBondContact ND2-OE1 3.02Å; N281-Q285 VanDerWaalsContact ND2-OE1 3.08Å; N281-Q285 WeakPolarHBondContact O-CB 3.41Å; N281-Q285 VanDerWaalsContact O-CG 3.29Å; N281-Q285 WeakPolarHBondContact O-CG 3.48Å; N281-Q285 PolarHBondContact O-N 3.28Å; N281-Q285 PolarHBondContact OD1-NE2 2.73Å
282	E	98.2	Very high	98.1	Very high	66 Å²	66	54.2 Å²	54.2	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-42.5	174.7	-67.2	160.2	156.4	0	0	110.9	L277 H278 T279 K284 Q285 T286	L277-E282 HydrophobicContact CD2-CB 3.76Å; H278-E282 WeakPolarHBondContact CA-OE2 3.4Å; H278-E282 PolarHBondContact N-OE2 3.02Å; T279-E282 PolarHBondContact N-OE2 2.89Å; T279-E282 PolarHBondContact O-N 3.4Å; T279-E282 VanDerWaalsContact OG1-CD 3.24Å; T279-E282 WeakPolarHBondContact OG1-CG 3.23Å; T279-E282 PolarHBondContact OG1-N 3.32Å; T279-E282 VanDerWaalsContact OG1-N 3.16Å; T279-E282 PolarHBondContact OG1-OE2 3.36Å; E282-K284 PolarHBondContact O-N 3.29Å; E282-Q285 PolarHBondContact O-N 2.95Å; E282-T286 PolarHBondContact O-N 2.77Å; E282-T286 VanDerWaalsContact O-N 3.11Å; E282-T286 PolarHBondContact O-OG1 3.5Å
283	F	98.7	Very high	98.1	Very high	11 Å²	11	53.9 Å²	53.9	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-50.9	175.2	-179.3	-90.6	0	0	0	112.3	M231 T279 N280 N281 Q285 T286 W288 F298 P313 E317 M318 A321	M231-F283 HydrophobicContact SD-CD2 4.41Å; M231-F283 HydrophobicContact SD-CE2 3.86Å; T279-F283 PolarHBondContact O-N 3.08Å; N280-F283 PolarHBondContact O-N 3.02Å; N281-F283 VanDerWaalsContact C-N 3.28Å; N281-F283 PolarHBondContact O-N 2.88Å; F283-Q285 VanDerWaalsContact C-N 3.31Å; F283-Q285 PolarHBondContact O-N 3.48Å; F283-T286 PolarHBondContact O-N 2.81Å; F283-W288 HydrophobicContact CD1-CZ2 4.42Å; F283-W288 AromaticContact CD2-CH2 3.7Å; F283-W288 HydrophobicContact CD2-CH2 3.7Å; F283-W288 AromaticContact CD2-CZ2 3.65Å; F283-W288 HydrophobicContact CD2-CZ2 3.65Å; F283-W288 HydrophobicContact CE1-CZ2 4.29Å; F283-W288 AromaticContact CE2-CH2 3.73Å; F283-W288 HydrophobicContact CE2-CH2 3.73Å; F283-W288 AromaticContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CG-CH2 4.47Å; F283-W288 HydrophobicContact CG-CZ2 4.11Å; F283-W288 HydrophobicContact CZ-CH2 4.49Å; F283-W288 AromaticContact CZ-CZ2 3.86Å; F283-W288 HydrophobicContact CZ-CZ2 3.86Å; F283-W288 WeakPolarHBondContact O-CZ2 3.27Å; F283-F298 HydrophobicContact CB-CE1 3.98Å; F283-F298 HydrophobicContact CB-CZ 4.39Å; F283-F298 HydrophobicContact CD2-CE1 4.04Å; F283-F298 HydrophobicContact CD2-CE2 4.36Å; F283-F298 AromaticContact CD2-CZ 3.57Å; F283-F298 HydrophobicContact CD2-CZ 3.57Å; F283-F298 HydrophobicContact CE2-CZ 4.31Å; F283-F298 HydrophobicContact CG-CE1 4.4Å; F283-F298 HydrophobicContact CG-CZ 4.35Å; F283-P313 HydrophobicContact CD1-CB 3.91Å; F283-P313 HydrophobicContact CD2-CB 4.26Å; F283-P313 HydrophobicContact CD2-CG 4.27Å; F283-P313 HydrophobicContact CE1-CB 3.99Å; F283-P313 HydrophobicContact CE2-CB 4.31Å; F283-P313 HydrophobicContact CG-CB 4.06Å; F283-P313 HydrophobicContact CG-CG 4.27Å; F283-P313 HydrophobicContact CZ-CB 4.19Å; F283-E317 HydrophobicContact CE1-CB 3.91Å; F283-E317 HydrophobicContact CZ-CB 4.09Å; F283-E317 WeakPolarHBondContact CZ-O 3.47Å; F283-M318 HydrophobicContact CE2-CG 4.37Å; F283-A321 HydrophobicContact CE2-CB 3.74Å; F283-A321 HydrophobicContact CZ-CB 3.64Å
284	K	98.3	Very high	98.1	Very high	132 Å²	132	47.7 Å²	47.7	57%	0.574	25%	0.249	S	C	*	.	H	α-helix	trans	-67.3	-29.7	-179.1	-75	170.5	177.8	167.3	0	113.6	N280 N281 E282	N280-K284 PolarHBondContact ND2-NZ 3.41Å; N280-K284 WeakPolarHBondContact O-CB 3.49Å; N280-K284 VanDerWaalsContact O-CG 3.3Å; N280-K284 WeakPolarHBondContact O-CG 3.44Å; N280-K284 PolarHBondContact O-N 3.47Å; N280-K284 WeakPolarHBondContact OD1-CE 3.33Å; N281-K284 PolarHBondContact O-N 2.88Å; E282-K284 PolarHBondContact O-N 3.29Å
285	Q	98	Very high	98.1	Very high	140 Å²	140	45.4 Å²	45.4	65%	0.654	24%	0.239	S	C	*	.	H	α-helix	trans	-84.8	-11.7	-179.7	-70.6	178.9	-18.2	0	0	113.3	N281 E282 F283 D287	N281-Q285 PolarHBondContact ND2-NE2 3.5Å; N281-Q285 PolarHBondContact ND2-OE1 3.02Å; N281-Q285 VanDerWaalsContact ND2-OE1 3.08Å; N281-Q285 WeakPolarHBondContact O-CB 3.41Å; N281-Q285 VanDerWaalsContact O-CG 3.29Å; N281-Q285 WeakPolarHBondContact O-CG 3.48Å; N281-Q285 PolarHBondContact O-N 3.28Å; N281-Q285 PolarHBondContact OD1-NE2 2.73Å; E282-Q285 PolarHBondContact O-N 2.95Å; F283-Q285 VanDerWaalsContact C-N 3.31Å; F283-Q285 PolarHBondContact O-N 3.48Å; Q285-D287 PolarHBondContact O-N 2.82Å
286	T	98.6	Very high	98.1	Very high	22 Å²	22	43.8 Å²	43.8	14%	0.135	23%	0.229	C	C	.	.			trans	-71.9	122.7	-177.4	-63.6	0	0	0	0	111.1	L277 E282 F283 W288 V291	L277-T286 WeakPolarHBondContact CD2-OG1 3.45Å; E282-T286 PolarHBondContact O-N 2.77Å; E282-T286 VanDerWaalsContact O-N 3.11Å; E282-T286 PolarHBondContact O-OG1 3.5Å; F283-T286 PolarHBondContact O-N 2.81Å; T286-W288 HydrophobicContact CG2-CD2 4Å; T286-W288 HydrophobicContact CG2-CE3 3.63Å; T286-W288 HydrophobicContact CG2-CH2 3.91Å; T286-W288 HydrophobicContact CG2-CZ2 4.25Å; T286-W288 HydrophobicContact CG2-CZ3 3.58Å; T286-W288 PolarHBondContact O-N 3.38Å; T286-V291 HydrophobicContact CG2-CG2 4.3Å
287	D	98.1	Very high	98.2	Very high	91 Å²	91	42.4 Å²	42.4	49%	0.487	22%	0.222	S	C	.	.			trans	-78.6	95.5	167.1	176.1	10.9	0	0	0	109.9	Q285 S289 S290	Q285-D287 PolarHBondContact O-N 2.82Å; D287-S289 VanDerWaalsContact CG-OG 3.24Å; D287-S289 PolarHBondContact O-N 3.35Å; D287-S289 WeakPolarHBondContact OD1-CB 3.47Å; D287-S289 PolarHBondContact OD1-N 2.99Å; D287-S289 PolarHBondContact OD1-OG 3.22Å; D287-S289 PolarHBondContact OD2-OG 3.11Å; D287-S289 VanDerWaalsContact OD2-OG 3.12Å; D287-S290 PolarHBondContact O-N 2.89Å; D287-S290 PolarHBondContact O-OG 3.2Å
288	W	98.2	Very high	98.2	Very high	28 Å²	28	42.5 Å²	42.5	11%	0.106	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57.4	-21.3	-179.6	-55.7	111.4	0	0	0	113.9	L277 F283 T286 S290 V294 A321 K324 V325 R328	L277-W288 HydrophobicContact CD1-CH2 3.74Å; L277-W288 HydrophobicContact CD1-CZ3 4.2Å; F283-W288 HydrophobicContact CD1-CZ2 4.42Å; F283-W288 AromaticContact CD2-CH2 3.7Å; F283-W288 HydrophobicContact CD2-CH2 3.7Å; F283-W288 AromaticContact CD2-CZ2 3.65Å; F283-W288 HydrophobicContact CD2-CZ2 3.65Å; F283-W288 HydrophobicContact CE1-CZ2 4.29Å; F283-W288 AromaticContact CE2-CH2 3.73Å; F283-W288 HydrophobicContact CE2-CH2 3.73Å; F283-W288 AromaticContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CG-CH2 4.47Å; F283-W288 HydrophobicContact CG-CZ2 4.11Å; F283-W288 HydrophobicContact CZ-CH2 4.49Å; F283-W288 AromaticContact CZ-CZ2 3.86Å; F283-W288 HydrophobicContact CZ-CZ2 3.86Å; F283-W288 WeakPolarHBondContact O-CZ2 3.27Å; T286-W288 HydrophobicContact CG2-CD2 4Å; T286-W288 HydrophobicContact CG2-CE3 3.63Å; T286-W288 HydrophobicContact CG2-CH2 3.91Å; T286-W288 HydrophobicContact CG2-CZ2 4.25Å; T286-W288 HydrophobicContact CG2-CZ3 3.58Å; T286-W288 PolarHBondContact O-N 3.38Å; W288-S290 PolarHBondContact O-N 2.94Å; W288-V294 HydrophobicContact CE3-CG2 4.37Å; W288-V294 HydrophobicContact CZ3-CG1 4.12Å; W288-V294 HydrophobicContact CZ3-CG2 3.97Å; W288-A321 HydrophobicContact CD2-CB 3.9Å; W288-A321 HydrophobicContact CE3-CB 4.24Å; W288-A321 HydrophobicContact CH2-CB 3.93Å; W288-A321 HydrophobicContact CZ2-CB 3.56Å; W288-A321 HydrophobicContact CZ3-CB 4.25Å; W288-K324 HydrophobicContact CB-CB 4.04Å; W288-K324 HydrophobicContact CG-CB 4.5Å; W288-K324 HydrophobicContact CG-CD 4.45Å; W288-V325 HydrophobicContact CB-CG2 4.32Å; W288-V325 HydrophobicContact CE3-CG2 3.99Å; W288-R328 PolarHBondContact O-NH1 2.88Å
289	S	96.9	Very high	98.2	Very high	83 Å²	83	41.7 Å²	41.7	58%	0.58	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-73.6	-16.1	177.5	77.4	0	0	0	0	113.5	D287	D287-S289 VanDerWaalsContact CG-OG 3.24Å; D287-S289 PolarHBondContact O-N 3.35Å; D287-S289 WeakPolarHBondContact OD1-CB 3.47Å; D287-S289 PolarHBondContact OD1-N 2.99Å; D287-S289 PolarHBondContact OD1-OG 3.22Å; D287-S289 PolarHBondContact OD2-OG 3.11Å; D287-S289 VanDerWaalsContact OD2-OG 3.12Å
290	S	96.5	Very high	98.2	Very high	54 Å²	54	41.5 Å²	41.5	38%	0.378	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-103.7	-5.2	-174.2	73.1	0	0	0	0	114.5	K273 D287 W288	K273-S290 WeakPolarHBondContact CD-O 3.32Å; D287-S290 PolarHBondContact O-N 2.89Å; D287-S290 PolarHBondContact O-OG 3.2Å; W288-S290 PolarHBondContact O-N 2.94Å
291	V	98.3	Very high	98.2	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	23%	0.233	C	C	.	.			trans	-123.5	132.9	-173.3	-178.5	0	0	0	0	111	V275 T286 Y293 V294 R328	V275-V291 HydrophobicContact CB-CG1 4.17Å; V275-V291 HydrophobicContact CB-CG2 4.47Å; V275-V291 HydrophobicContact CG1-CG1 3.79Å; V275-V291 HydrophobicContact CG1-CG2 4.44Å; T286-V291 HydrophobicContact CG2-CG2 4.3Å; V291-Y293 WeakPolarHBondContact CG1-O 3.36Å; V291-V294 HydrophobicContact CG1-CG2 3.81Å; V291-R328 PolarHBondContact O-NH2 2.77Å
292	D	98.3	Very high	98.2	Very high	57 Å²	57	41.5 Å²	41.5	31%	0.305	22%	0.218	S	C	.	.	S	Bend	trans	-105.8	-21.8	-178.8	-58.7	-45.6	0	0	0	113.1	N228 K273 R328	N228-D292 WeakPolarHBondContact CB-O 3.46Å; N228-D292 PolarHBondContact ND2-O 3.23Å; K273-D292 PolarHBondContact O-N 2.94Å; D292-R328 IonicContact OD1-CZ 2.79Å; D292-R328 IonicContact OD1-NH2 2.73Å; D292-R328 PolarHBondContact OD1-NH2 3.47Å
293	Y	98.7	Very high	98.2	Very high	32 Å²	32	38.6 Å²	38.6	13%	0.125	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.8	-179	-65.6	-91.1	0	0	0	111.9	N228 H272 K273 H274 V275 V291	N228-Y293 CarbonylContact O-C 3.46Å; N228-Y293 WeakPolarHBondContact O-CA 3.48Å; H272-Y293 HydrophobicContact CB-CD2 3.52Å; H272-Y293 HydrophobicContact CB-CE2 3.81Å; H272-Y293 HydrophobicContact CB-CG 4.27Å; H272-Y293 AromaticContact CD2-CE2 3.71Å; H272-Y293 AromaticContact CE1-CE2 3.69Å; H272-Y293 AromaticContact CE1-CZ 3.47Å; H272-Y293 VanDerWaalsContact CE1-CZ 3.47Å; H272-Y293 AromaticContact CG-CD2 3.59Å; H272-Y293 AromaticContact CG-CE2 3.35Å; H272-Y293 AromaticContact CG-CZ 3.97Å; H272-Y293 AromaticContact ND1-CD2 3.63Å; H272-Y293 AromaticContact ND1-CE1 3.9Å; H272-Y293 AromaticContact ND1-CE2 3.34Å; H272-Y293 VanDerWaalsContact ND1-CE2 3.34Å; H272-Y293 WeakPolarHBondContact ND1-CE2 3.12Å; H272-Y293 AromaticContact ND1-CZ 3.49Å; H272-Y293 AromaticContact NE2-CE2 3.91Å; H272-Y293 AromaticContact NE2-CZ 3.93Å; K273-Y293 PolarHBondContact O-N 2.74Å; H274-Y293 CarbonylContact C-O 3.46Å; H274-Y293 WeakPolarHBondContact CA-O 3.43Å; V275-Y293 PolarHBondContact N-O 2.86Å; V291-Y293 WeakPolarHBondContact CG1-O 3.36Å
294	V	98.9	Very high	98.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.3	-174.8	-176.9	0	0	0	0	109.4	N228 V229 I230 M231 V275 L277 W288 V291 V325	N228-V294 PolarHBondContact O-N 2.68Å; V229-V294 HydrophobicContact CG1-CB 4.43Å; V229-V294 HydrophobicContact CG2-CB 4.47Å; V229-V294 HydrophobicContact CG2-CG2 4.45Å; I230-V294 PolarHBondContact N-O 2.88Å; M231-V294 HydrophobicContact CG-CG1 4.19Å; M231-V294 HydrophobicContact SD-CG1 4.2Å; V275-V294 HydrophobicContact CG1-CB 4.33Å; V275-V294 HydrophobicContact CG1-CG1 4.05Å; V275-V294 HydrophobicContact CG1-CG2 4.05Å; L277-V294 HydrophobicContact CD1-CG1 4.07Å; W288-V294 HydrophobicContact CE3-CG2 4.37Å; W288-V294 HydrophobicContact CZ3-CG1 4.12Å; W288-V294 HydrophobicContact CZ3-CG2 3.97Å; V291-V294 HydrophobicContact CG1-CG2 3.81Å; V294-V325 HydrophobicContact CG2-CG2 4.28Å
295	L	98.8	Very high	98.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.6	161.8	-179.7	58	0	0	0	108.3	I230 L260 W263 V275 L276 L277 L297	I230-L295 HydrophobicContact CB-CD1 4.05Å; I230-L295 HydrophobicContact CG2-CD1 4.09Å; I230-L295 CarbonylContact O-C 3.51Å; I230-L295 WeakPolarHBondContact O-CA 3.27Å; L260-L295 HydrophobicContact CD2-CD2 4.36Å; W263-L295 HydrophobicContact CB-CD2 4.4Å; W263-L295 HydrophobicContact CD2-CB 4.1Å; W263-L295 HydrophobicContact CD2-CD2 3.77Å; W263-L295 HydrophobicContact CE3-CB 4.13Å; W263-L295 HydrophobicContact CE3-CD2 4.12Å; W263-L295 HydrophobicContact CG-CD2 3.88Å; W263-L295 HydrophobicContact CH2-CB 3.63Å; W263-L295 HydrophobicContact CZ2-CB 3.58Å; W263-L295 HydrophobicContact CZ3-CB 3.9Å; V275-L295 PolarHBondContact O-N 2.88Å; L276-L295 CarbonylContact C-O 3.43Å; L276-L295 WeakPolarHBondContact CA-O 3.25Å; L276-L295 HydrophobicContact CD1-CB 4.09Å; L276-L295 HydrophobicContact CD1-CD2 3.94Å; L276-L295 HydrophobicContact CD1-CG 3.86Å; L276-L295 WeakPolarHBondContact CD1-O 3.41Å; L277-L295 PolarHBondContact N-O 2.89Å; L295-L297 HydrophobicContact CD1-CD1 4.37Å; L295-L297 HydrophobicContact CD1-CD2 3.96Å; L295-L297 HydrophobicContact CD1-CG 4.06Å; L295-L297 HydrophobicContact CD2-CD1 4.49Å; L295-L297 HydrophobicContact CG-CD1 4.36Å; L295-L297 HydrophobicContact CG-CG 4.2Å
296	G	98.8	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111	178	0	0	0	0	0	111.3	I230 M231 G232 L277	I230-G296 PolarHBondContact O-N 3.37Å; M231-G296 CarbonylContact C-O 3.6Å; M231-G296 VanDerWaalsContact CA-O 3.27Å; M231-G296 WeakPolarHBondContact CA-O 3.3Å; G232-G296 PolarHBondContact N-O 3.45Å; L277-G296 WeakPolarHBondContact O-CA 3.48Å
297	L	98.7	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	91.3	178.5	-56.2	178.1	0	0	0	108.6	V183 G232 A235 F238 F247 L260 L277 H278 L295 A299	V183-L297 HydrophobicContact CB-CD2 4.35Å; V183-L297 HydrophobicContact CG1-CD2 3.81Å; V183-L297 HydrophobicContact CG2-CD2 3.57Å; G232-L297 CarbonylContact O-C 3.49Å; G232-L297 VanDerWaalsContact O-CA 3.3Å; G232-L297 WeakPolarHBondContact O-CA 3.46Å; A235-L297 HydrophobicContact CB-CB 3.92Å; A235-L297 HydrophobicContact CB-CD1 4.36Å; F238-L297 HydrophobicContact CD2-CD1 3.73Å; F238-L297 HydrophobicContact CE2-CD1 3.86Å; F238-L297 HydrophobicContact CG-CD1 4.24Å; F238-L297 HydrophobicContact CZ-CD1 4.46Å; F247-L297 WeakPolarHBondContact CE2-O 3.41Å; F247-L297 WeakPolarHBondContact CZ-O 3.45Å; L260-L297 HydrophobicContact CD2-CD1 3.65Å; L277-L297 PolarHBondContact O-N 2.73Å; H278-L297 WeakPolarHBondContact CA-O 3.41Å; H278-L297 PolarHBondContact ND1-O 2.91Å; L295-L297 HydrophobicContact CD1-CD1 4.37Å; L295-L297 HydrophobicContact CD1-CD2 3.96Å; L295-L297 HydrophobicContact CD1-CG 4.06Å; L295-L297 HydrophobicContact CD2-CD1 4.49Å; L295-L297 HydrophobicContact CG-CD1 4.36Å; L295-L297 HydrophobicContact CG-CG 4.2Å; L297-A299 PolarHBondContact O-N 3.03Å
298	F	98.6	Very high	98.1	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.022	18%	0.184	C	C	.	.			trans	-89.8	4.5	-167.4	-52.8	-68.2	0	0	0	114.6	M231 G232 L277 F283 Q312 P313 M318	M231-F298 HydrophobicContact CB-CE2 4.1Å; M231-F298 HydrophobicContact CG-CE2 4.17Å; M231-F298 HydrophobicContact CG-CZ 4.49Å; M231-F298 HydrophobicContact SD-CE2 4.28Å; M231-F298 HydrophobicContact SD-CZ 4.31Å; G232-F298 PolarHBondContact O-N 3.11Å; L277-F298 HydrophobicContact CB-CE1 3.82Å; L277-F298 HydrophobicContact CB-CZ 4.28Å; L277-F298 HydrophobicContact CD1-CZ 4.46Å; F283-F298 HydrophobicContact CB-CE1 3.98Å; F283-F298 HydrophobicContact CB-CZ 4.39Å; F283-F298 HydrophobicContact CD2-CE1 4.04Å; F283-F298 HydrophobicContact CD2-CE2 4.36Å; F283-F298 AromaticContact CD2-CZ 3.57Å; F283-F298 HydrophobicContact CD2-CZ 3.57Å; F283-F298 HydrophobicContact CE2-CZ 4.31Å; F283-F298 HydrophobicContact CG-CE1 4.4Å; F283-F298 HydrophobicContact CG-CZ 4.35Å; F298-Q312 PolarHBondContact O-NE2 3.12Å; F298-P313 HydrophobicContact CB-CG 4.26Å; F298-P313 HydrophobicContact CD1-CG 3.85Å; F298-P313 HydrophobicContact CD2-CG 3.42Å; F298-P313 VanDerWaalsContact CD2-CG 3.42Å; F298-P313 HydrophobicContact CE1-CG 4.04Å; F298-P313 HydrophobicContact CE2-CG 3.62Å; F298-P313 HydrophobicContact CG-CG 3.55Å; F298-P313 HydrophobicContact CZ-CG 3.94Å; F298-M318 HydrophobicContact CD2-SD 3.77Å; F298-M318 HydrophobicContact CE2-CG 4.18Å; F298-M318 HydrophobicContact CE2-SD 3.7Å
299	A	98.1	Very high	97.9	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	18%	0.182	C	C	.	.	S	Bend	trans	-152.2	150.2	177.1	0	0	0	0	0	110.6	G234 A235 L297 N301 H302	G234-A299 PolarHBondContact N-O 3.04Å; A235-A299 PolarHBondContact N-O 3.09Å; L297-A299 PolarHBondContact O-N 3.03Å; A299-N301 WeakPolarHBondContact CB-O 3.22Å; A299-N301 PolarHBondContact O-N 3.45Å; A299-H302 WeakPolarHBondContact CB-O 3.41Å
300	P	97.4	Very high	97.6	Very high	37 Å²	37	37.8 Å²	37.8	24%	0.24	19%	0.193	C	C	.	.	S	Bend	trans	-64.7	-28.9	173.4	26.8	-33.6	0	0	0	112	G234 A235 A236 F247 V249	G234-P300 CarbonylContact C-O 3.54Å; G234-P300 WeakPolarHBondContact CA-O 3.48Å; A235-P300 PolarHBondContact N-O 3.18Å; A236-P300 HydrophobicContact CB-CB 4.26Å; A236-P300 WeakPolarHBondContact CB-O 3.04Å; A236-P300 PolarHBondContact N-O 3.5Å; A236-P300 VanDerWaalsContact N-O 3.1Å; F247-P300 HydrophobicContact CB-CB 4.39Å; F247-P300 HydrophobicContact CG-CB 4.37Å; V249-P300 HydrophobicContact CB-CB 4.14Å; V249-P300 HydrophobicContact CG1-CB 4.13Å; V249-P300 HydrophobicContact CG2-CB 4.33Å; V249-P300 HydrophobicContact CG2-CG 4.25Å
301	N	98	Very high	97.5	Very high	67 Å²	67	40 Å²	40	36%	0.358	20%	0.201	S	C	.	.	S	Bend	trans	-122.9	-146.8	176.2	-163	-23.7	0	0	0	108.8	R182 G233 G234 A299	R182-N301 WeakPolarHBondContact CD-OD1 3.35Å; R182-N301 WeakPolarHBondContact CG-OD1 3.49Å; R182-N301 PolarHBondContact NH1-OD1 3.23Å; G233-N301 CarbonylContact C-O 3.59Å; G233-N301 WeakPolarHBondContact CA-O 3.39Å; G234-N301 PolarHBondContact N-O 2.91Å; A299-N301 WeakPolarHBondContact CB-O 3.22Å; A299-N301 PolarHBondContact O-N 3.45Å
302	H	98.7	Very high	97.5	Very high	29 Å²	29	41.3 Å²	41.3	13%	0.134	21%	0.206	C	C	.	.	S	Bend	trans	-57.8	158.1	170	-50.6	-61.5	0	0	0	111.4	T181 R182 H185 A299 R341 H344	T181-H302 WeakPolarHBondContact CA-ND1 3.46Å; R182-H302 PolarHBondContact N-ND1 2.97Å; R182-H302 PolarHBondContact NH1-CE1 3.03Å; R182-H302 PolarHBondContact NH1-NE2 3.43Å; H185-H302 AromaticContact CD2-CE1 3.96Å; A299-H302 WeakPolarHBondContact CB-O 3.41Å; H302-R341 PolarHBondContact CD2-NH1 3.2Å; H302-R341 VanDerWaalsContact CD2-NH1 3.28Å; H302-H344 AromaticContact CD2-CE1 3.88Å; H302-H344 AromaticContact CD2-NE2 3.9Å; H302-H344 AromaticContact CE1-CE1 3.58Å; H302-H344 AromaticContact CE1-NE2 3.67Å; H302-H344 AromaticContact ND1-CE1 3.91Å; H302-H344 AromaticContact NE2-CE1 3.58Å; H302-H344 AromaticContact NE2-NE2 3.34Å; H302-H344 PolarHBondContact NE2-NE2 2.85Å
303	L	98.7	Very high	97.5	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-62.3	151	166.4	-77.7	84	0	0	0	109.5	T180 G233 Q312 P313 M318	T180-L303 WeakPolarHBondContact O-CB 3.28Å; T180-L303 PolarHBondContact O-N 3.06Å; G233-L303 VanDerWaalsContact N-CD1 3.26Å; L303-Q312 HydrophobicContact CD2-CB 4.18Å; L303-P313 WeakPolarHBondContact CD2-O 3.36Å; L303-M318 HydrophobicContact CD2-CE 3.78Å; L303-M318 HydrophobicContact CD2-SD 4.4Å
304	A	98.4	Very high	97.5	Very high	33 Å²	33	38.1 Å²	38.1	27%	0.273	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-63.1	149.4	172.6	0	0	0	0	0	109.9	E308 N309	A304-E308 HydrophobicContact CB-CB 4.5Å; A304-N309 HydrophobicContact CB-CB 4.05Å
305	Y	98.7	Very high	97.5	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.055	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-55.6	146.8	167.1	-67.7	-68.7	0	0	0	109.8	L307 E308 N309 R341 H344 G345 Y353 E357	Y305-L307 PolarHBondContact O-N 3.1Å; Y305-L307 VanDerWaalsContact O-N 3.14Å; Y305-E308 CarbonylContact O-C 3.57Å; Y305-E308 WeakPolarHBondContact O-CA 3.4Å; Y305-E308 PolarHBondContact O-N 3.27Å; Y305-N309 WeakPolarHBondContact O-CB 3.29Å; Y305-N309 PolarHBondContact O-N 3.28Å; Y305-R341 HydrophobicContact CD1-CB 3.82Å; Y305-R341 HydrophobicContact CD1-CG 4.37Å; Y305-R341 HydrophobicContact CE1-CB 3.8Å; Y305-R341 HydrophobicContact CE1-CG 4.5Å; Y305-R341 WeakPolarHBondContact CE1-O 3.17Å; Y305-R341 PolarHBondContact OH-NH2 3.13Å; Y305-H344 HydrophobicContact CE1-CB 4.36Å; Y305-H344 VanDerWaalsContact OH-CB 3.25Å; Y305-H344 WeakPolarHBondContact OH-CB 3.37Å; Y305-H344 PolarHBondContact OH-O 3.34Å; Y305-G345 PolarHBondContact OH-N 2.97Å; Y305-Y353 AromaticContact CD1-CD1 3.99Å; Y305-Y353 HydrophobicContact CD1-CD1 3.99Å; Y305-Y353 AromaticContact CD1-CG 3.99Å; Y305-Y353 HydrophobicContact CD1-CG 3.99Å; Y305-Y353 AromaticContact CD2-CD1 3.8Å; Y305-Y353 HydrophobicContact CD2-CD1 3.8Å; Y305-Y353 HydrophobicContact CD2-CD2 4.03Å; Y305-Y353 AromaticContact CD2-CE1 3.89Å; Y305-Y353 HydrophobicContact CD2-CE1 3.89Å; Y305-Y353 HydrophobicContact CD2-CE2 4.12Å; Y305-Y353 AromaticContact CD2-CG 3.92Å; Y305-Y353 HydrophobicContact CD2-CG 3.92Å; Y305-Y353 HydrophobicContact CE1-CG 4.11Å; Y305-Y353 HydrophobicContact CE2-CD1 4.37Å; Y305-Y353 AromaticContact CE2-CD2 3.82Å; Y305-Y353 HydrophobicContact CE2-CD2 3.82Å; Y305-Y353 HydrophobicContact CE2-CE2 4.1Å; Y305-Y353 HydrophobicContact CE2-CG 4.01Å; Y305-Y353 AromaticContact CG-CD1 3.57Å; Y305-Y353 HydrophobicContact CG-CD1 3.57Å; Y305-Y353 HydrophobicContact CG-CD2 4.46Å; Y305-Y353 AromaticContact CG-CE1 3.98Å; Y305-Y353 HydrophobicContact CG-CE1 3.98Å; Y305-Y353 AromaticContact CG-CG 3.89Å; Y305-Y353 HydrophobicContact CG-CG 3.89Å; Y305-E357 VanDerWaalsContact CA-OE1 3.25Å; Y305-E357 WeakPolarHBondContact CA-OE1 3.19Å; Y305-E357 HydrophobicContact CD1-CG 3.8Å; Y305-E357 HydrophobicContact CE1-CG 4.34Å
306	R	97.6	Very high	97.5	Very high	96 Å²	96	38.8 Å²	38.8	36%	0.362	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.9	178.7	175	65.1	-125.4	168.8	-1.1	113.7	E308 T356 E357 E360	R306-E308 PolarHBondContact O-N 2.88Å; R306-T356 HydrophobicContact CB-CG2 4.37Å; R306-T356 HydrophobicContact CG-CG2 4.39Å; R306-E357 WeakPolarHBondContact CB-OE1 3.38Å; R306-E357 PolarHBondContact N-OE1 2.79Å; R306-E360 HydrophobicContact CB-CG 3.6Å; R306-E360 VanDerWaalsContact CD-OE2 3.32Å; R306-E360 WeakPolarHBondContact CD-OE2 3.44Å; R306-E360 HydrophobicContact CG-CG 3.63Å; R306-E360 WeakPolarHBondContact CG-OE1 3.15Å
307	L	97.2	Very high	97.5	Very high	65 Å²	65	42 Å²	42	34%	0.34	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.7	177.5	-65.1	177	0	0	0	112.7	Y305 Q352 Y353 T356	Y305-L307 PolarHBondContact O-N 3.1Å; Y305-L307 VanDerWaalsContact O-N 3.14Å; L307-Q352 HydrophobicContact CD1-CG 3.84Å; L307-Y353 HydrophobicContact CB-CD1 4.37Å; L307-Y353 HydrophobicContact CB-CE1 4.01Å; L307-Y353 HydrophobicContact CD1-CD1 3.88Å; L307-Y353 HydrophobicContact CD1-CE1 4.02Å; L307-Y353 HydrophobicContact CG-CD1 4.47Å; L307-T356 HydrophobicContact CD1-CG2 4.48Å; L307-T356 HydrophobicContact CD2-CG2 3.95Å; L307-T356 HydrophobicContact CG-CG2 3.96Å
308	E	97.2	Very high	97.5	Very high	94 Å²	94	42 Å²	42	44%	0.439	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-23.7	-179	-61.9	178.6	179.6	0	0	112.7	A304 Y305 R306 Q310 Y353	A304-E308 HydrophobicContact CB-CB 4.5Å; Y305-E308 CarbonylContact O-C 3.57Å; Y305-E308 WeakPolarHBondContact O-CA 3.4Å; Y305-E308 PolarHBondContact O-N 3.27Å; R306-E308 PolarHBondContact O-N 2.88Å; E308-Q310 WeakPolarHBondContact O-CG 3.26Å; E308-Q310 PolarHBondContact O-N 3.34Å; E308-Q310 PolarHBondContact O-NE2 3.22Å; E308-Y353 HydrophobicContact CG-CE1 4.29Å; E308-Y353 VanDerWaalsContact OE1-CZ 3.24Å; E308-Y353 PolarHBondContact OE1-OH 3.06Å
309	N	94.3	Very high	97.5	Very high	14 Å²	14	41.8 Å²	41.8	8%	0.075	21%	0.211	C	C	.	.			trans	-64.3	115.8	-174.2	-179.5	10.3	0	0	0	111.7	A304 Y305 D311 Q312	A304-N309 HydrophobicContact CB-CB 4.05Å; Y305-N309 WeakPolarHBondContact O-CB 3.29Å; Y305-N309 PolarHBondContact O-N 3.28Å; N309-D311 PolarHBondContact OD1-N 3.41Å; N309-Q312 PolarHBondContact ND2-O 2.91Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.11Å; N309-Q312 PolarHBondContact OD1-N 3.35Å; N309-Q312 PolarHBondContact OD1-O 3.04Å
310	Q	90.1	Very high	97.6	Very high	173 Å²	173	43.6 Å²	43.6	81%	0.808	22%	0.22	S	C	*	.	S	Bend	trans	-101	-35.3	177.6	-58.4	-55.7	-49.8	0	0	113.6	E308	E308-Q310 WeakPolarHBondContact O-CG 3.26Å; E308-Q310 PolarHBondContact O-N 3.34Å; E308-Q310 PolarHBondContact O-NE2 3.22Å
311	D	94.1	Very high	97.6	Very high	102 Å²	102	42 Å²	42	55%	0.545	21%	0.209	S	C	.	.	S	Bend	trans	-149.3	32.3	-168	-165.7	34.1	0	0	0	114.2	N280 N309	N280-D311 WeakPolarHBondContact CB-O 3.46Å; N280-D311 WeakPolarHBondContact CB-OD1 3.34Å; N280-D311 PolarHBondContact ND2-OD1 3.41Å; N309-D311 PolarHBondContact OD1-N 3.41Å
312	Q	98.2	Very high	97.7	Very high	39 Å²	39	38.8 Å²	38.8	18%	0.182	19%	0.192	C	C	.	.	S	Bend	trans	-114.4	144.5	169.2	-59.3	168.6	-11.1	0	0	109.1	F298 L303 N309 T314	F298-Q312 PolarHBondContact O-NE2 3.12Å; L303-Q312 HydrophobicContact CD2-CB 4.18Å; N309-Q312 PolarHBondContact ND2-O 2.91Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.11Å; N309-Q312 PolarHBondContact OD1-N 3.35Å; N309-Q312 PolarHBondContact OD1-O 3.04Å; Q312-T314 PolarHBondContact O-N 3.23Å
313	P	98.6	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.			trans	-60.3	141.1	175.7	27.5	-34.6	0	0	0	110.3	F283 F298 L303 E317 M318	F283-P313 HydrophobicContact CD1-CB 3.91Å; F283-P313 HydrophobicContact CD2-CB 4.26Å; F283-P313 HydrophobicContact CD2-CG 4.27Å; F283-P313 HydrophobicContact CE1-CB 3.99Å; F283-P313 HydrophobicContact CE2-CB 4.31Å; F283-P313 HydrophobicContact CG-CB 4.06Å; F283-P313 HydrophobicContact CG-CG 4.27Å; F283-P313 HydrophobicContact CZ-CB 4.19Å; F298-P313 HydrophobicContact CB-CG 4.26Å; F298-P313 HydrophobicContact CD1-CG 3.85Å; F298-P313 HydrophobicContact CD2-CG 3.42Å; F298-P313 VanDerWaalsContact CD2-CG 3.42Å; F298-P313 HydrophobicContact CE1-CG 4.04Å; F298-P313 HydrophobicContact CE2-CG 3.62Å; F298-P313 HydrophobicContact CG-CG 3.55Å; F298-P313 HydrophobicContact CZ-CG 3.94Å; L303-P313 WeakPolarHBondContact CD2-O 3.36Å; P313-E317 HydrophobicContact CB-CB 4.37Å; P313-M318 HydrophobicContact CB-CG 3.98Å; P313-M318 HydrophobicContact CG-CG 3.96Å; P313-M318 HydrophobicContact CG-SD 4.25Å
314	T	98.6	Very high	97.7	Very high	22 Å²	22	41.2 Å²	41.2	14%	0.135	20%	0.202	C	C	.	.			trans	-70.6	161.6	176.5	58.1	0	0	0	0	111.5	Q312 A316 E317 M318	Q312-T314 PolarHBondContact O-N 3.23Å; T314-A316 PolarHBondContact O-N 3Å; T314-E317 WeakPolarHBondContact CB-OE2 3.23Å; T314-E317 WeakPolarHBondContact CG2-OE2 3.41Å; T314-E317 PolarHBondContact N-OE2 3.47Å; T314-E317 PolarHBondContact O-N 2.8Å; T314-E317 WeakPolarHBondContact OG1-CB 3.24Å; T314-E317 VanDerWaalsContact OG1-CG 3.23Å; T314-E317 WeakPolarHBondContact OG1-CG 3.06Å; T314-E317 PolarHBondContact OG1-N 2.9Å; T314-E317 VanDerWaalsContact OG1-N 3.12Å; T314-E317 PolarHBondContact OG1-OE2 3.19Å; T314-M318 WeakPolarHBondContact O-CG 3.33Å; T314-M318 PolarHBondContact O-N 2.86Å
315	L	98.8	Very high	97.7	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-56.9	-37.7	172.8	-174	57.7	0	0	0	111.6	V178 T180 M318 T319 V337 L361 A364	V178-L315 HydrophobicContact CG1-CD1 3.73Å; T180-L315 HydrophobicContact CG2-CB 3.99Å; T180-L315 HydrophobicContact CG2-CD1 4.05Å; T180-L315 HydrophobicContact CG2-CD2 4.22Å; T180-L315 HydrophobicContact CG2-CG 4.31Å; L315-M318 HydrophobicContact CD1-CE 4.36Å; L315-T319 VanDerWaalsContact O-CB 3.29Å; L315-T319 WeakPolarHBondContact O-CB 3.44Å; L315-T319 PolarHBondContact O-N 3.23Å; L315-T319 PolarHBondContact O-OG1 3.27Å; L315-V337 HydrophobicContact CD1-CG1 3.62Å; L315-V337 HydrophobicContact CD2-CG1 4.31Å; L315-V337 HydrophobicContact CG-CG1 4Å; L315-L361 HydrophobicContact CD2-CD1 3.95Å; L315-A364 HydrophobicContact CB-CB 4.39Å; L315-A364 HydrophobicContact CD2-CB 4.12Å; L315-A364 HydrophobicContact CG-CB 3.79Å
316	A	98.8	Very high	97.7	Very high	12 Å²	12	39.2 Å²	39.2	10%	0.099	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-43.9	176.2	0	0	0	0	0	112.7	T314 T319 E320 K363 A364 K367	T314-A316 PolarHBondContact O-N 3Å; A316-T319 PolarHBondContact O-N 3.41Å; A316-E320 WeakPolarHBondContact O-CB 3.37Å; A316-E320 PolarHBondContact O-N 3.4Å; A316-K363 HydrophobicContact CB-CB 4.08Å; A316-A364 HydrophobicContact CB-CB 4.49Å; A316-K367 HydrophobicContact CB-CB 4.29Å
317	E	98.8	Very high	97.8	Very high	67 Å²	67	37.4 Å²	37.4	31%	0.313	19%	0.19	S	C	.	.	H	α-helix	trans	-63.6	-46	175.7	-76.1	165.4	136.8	0	0	111.6	F283 P313 T314 T319 E320 A321	F283-E317 HydrophobicContact CE1-CB 3.91Å; F283-E317 HydrophobicContact CZ-CB 4.09Å; F283-E317 WeakPolarHBondContact CZ-O 3.47Å; P313-E317 HydrophobicContact CB-CB 4.37Å; T314-E317 WeakPolarHBondContact CB-OE2 3.23Å; T314-E317 WeakPolarHBondContact CG2-OE2 3.41Å; T314-E317 PolarHBondContact N-OE2 3.47Å; T314-E317 PolarHBondContact O-N 2.8Å; T314-E317 WeakPolarHBondContact OG1-CB 3.24Å; T314-E317 VanDerWaalsContact OG1-CG 3.23Å; T314-E317 WeakPolarHBondContact OG1-CG 3.06Å; T314-E317 PolarHBondContact OG1-N 2.9Å; T314-E317 VanDerWaalsContact OG1-N 3.12Å; T314-E317 PolarHBondContact OG1-OE2 3.19Å; E317-T319 VanDerWaalsContact C-N 3.32Å; E317-T319 PolarHBondContact O-N 3.34Å; E317-E320 WeakPolarHBondContact O-CB 3.48Å; E317-E320 PolarHBondContact O-N 3.46Å; E317-A321 PolarHBondContact O-N 2.89Å
318	M	98.9	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-41	175.2	-69.4	-168.5	-67.9	0	0	111.5	V178 M231 F283 F298 L303 P313 T314 L315 E320 A321 A322	V178-M318 HydrophobicContact CG1-CB 3.53Å; V178-M318 HydrophobicContact CG1-CE 4.21Å; V178-M318 HydrophobicContact CG1-SD 4.46Å; M231-M318 HydrophobicContact CB-CG 4.4Å; M231-M318 HydrophobicContact CB-SD 3.89Å; M231-M318 HydrophobicContact CE-CB 3.93Å; M231-M318 HydrophobicContact CE-CG 4.49Å; M231-M318 WeakPolarHBondContact CE-O 3.36Å; M231-M318 HydrophobicContact SD-CG 4.46Å; F283-M318 HydrophobicContact CE2-CG 4.37Å; F298-M318 HydrophobicContact CD2-SD 3.77Å; F298-M318 HydrophobicContact CE2-CG 4.18Å; F298-M318 HydrophobicContact CE2-SD 3.7Å; L303-M318 HydrophobicContact CD2-CE 3.78Å; L303-M318 HydrophobicContact CD2-SD 4.4Å; P313-M318 HydrophobicContact CB-CG 3.98Å; P313-M318 HydrophobicContact CG-CG 3.96Å; P313-M318 HydrophobicContact CG-SD 4.25Å; T314-M318 WeakPolarHBondContact O-CG 3.33Å; T314-M318 PolarHBondContact O-N 2.86Å; L315-M318 HydrophobicContact CD1-CE 4.36Å; M318-E320 PolarHBondContact O-N 3.17Å; M318-A321 PolarHBondContact O-N 3.37Å; M318-A322 WeakPolarHBondContact O-CB 3.14Å; M318-A322 PolarHBondContact O-N 3.36Å
319	T	99	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-43.8	175	-60.1	0	0	0	0	111.6	F70 L315 A316 E317 A322 I323 V337 A368	F70-T319 HydrophobicContact CE1-CG2 4.29Å; F70-T319 HydrophobicContact CZ-CG2 4.47Å; L315-T319 VanDerWaalsContact O-CB 3.29Å; L315-T319 WeakPolarHBondContact O-CB 3.44Å; L315-T319 PolarHBondContact O-N 3.23Å; L315-T319 PolarHBondContact O-OG1 3.27Å; A316-T319 PolarHBondContact O-N 3.41Å; E317-T319 VanDerWaalsContact C-N 3.32Å; E317-T319 PolarHBondContact O-N 3.34Å; T319-A322 PolarHBondContact O-N 3.11Å; T319-I323 HydrophobicContact CG2-CD1 3.91Å; T319-I323 WeakPolarHBondContact O-CG1 3.47Å; T319-I323 PolarHBondContact O-N 3.21Å; T319-V337 HydrophobicContact CG2-CG2 4.2Å; T319-V337 WeakPolarHBondContact OG1-CG1 3.44Å; T319-A368 HydrophobicContact CG2-CB 4.14Å
320	E	98.9	Very high	98	Very high	41 Å²	41	40.3 Å²	40.3	19%	0.192	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-48.7	175.5	172.3	167.3	176.8	0	0	112	A316 E317 M318 A322 I323 K324 K367 L371	A316-E320 WeakPolarHBondContact O-CB 3.37Å; A316-E320 PolarHBondContact O-N 3.4Å; E317-E320 WeakPolarHBondContact O-CB 3.48Å; E317-E320 PolarHBondContact O-N 3.46Å; M318-E320 PolarHBondContact O-N 3.17Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.52Å; E320-I323 PolarHBondContact O-N 2.96Å; E320-K324 HydrophobicContact CG-CD 4.17Å; E320-K324 WeakPolarHBondContact O-CG 3.47Å; E320-K324 PolarHBondContact O-N 3.38Å; E320-K324 WeakPolarHBondContact OE1-CE 3.35Å; E320-K324 IonicContact OE1-NZ 3.99Å; E320-K324 PolarHBondContact OE1-NZ 2.78Å; E320-K367 HydrophobicContact CB-CD 3.96Å; E320-K367 HydrophobicContact CB-CG 3.79Å; E320-K367 HydrophobicContact CG-CD 4.3Å; E320-K367 WeakPolarHBondContact OE2-CD 3.47Å; E320-K367 WeakPolarHBondContact OE2-CE 3.42Å; E320-K367 IonicContact OE2-NZ 2.9Å; E320-K367 PolarHBondContact OE2-NZ 2.93Å; E320-L371 HydrophobicContact CB-CD1 3.95Å; E320-L371 HydrophobicContact CG-CD1 3.82Å
321	A	98.9	Very high	98.3	Very high	2 Å²	2	37 Å²	37	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-43.5	177.9	0	0	0	0	0	111.7	M231 F283 W288 E317 M318 K324 V325	M231-A321 HydrophobicContact CE-CB 4.03Å; M231-A321 HydrophobicContact SD-CB 4.49Å; F283-A321 HydrophobicContact CE2-CB 3.74Å; F283-A321 HydrophobicContact CZ-CB 3.64Å; W288-A321 HydrophobicContact CD2-CB 3.9Å; W288-A321 HydrophobicContact CE3-CB 4.24Å; W288-A321 HydrophobicContact CH2-CB 3.93Å; W288-A321 HydrophobicContact CZ2-CB 3.56Å; W288-A321 HydrophobicContact CZ3-CB 4.25Å; E317-A321 PolarHBondContact O-N 2.89Å; M318-A321 PolarHBondContact O-N 3.37Å; A321-K324 PolarHBondContact O-N 2.92Å; A321-V325 WeakPolarHBondContact O-CG2 3.15Å; A321-V325 PolarHBondContact O-N 3.12Å; A321-V325 VanDerWaalsContact O-N 3.12Å
322	A	98.9	Very high	98.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-51.4	175.8	0	0	0	0	0	111.1	V178 V229 M231 M318 T319 E320 K324 V325 L326 L335	V178-A322 HydrophobicContact CG2-CB 3.73Å; V229-A322 HydrophobicContact CB-CB 4.41Å; V229-A322 HydrophobicContact CG1-CB 3.85Å; M231-A322 HydrophobicContact CE-CB 4.05Å; M318-A322 WeakPolarHBondContact O-CB 3.14Å; M318-A322 PolarHBondContact O-N 3.36Å; T319-A322 PolarHBondContact O-N 3.11Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.52Å; A322-K324 VanDerWaalsContact C-N 3.31Å; A322-K324 PolarHBondContact O-N 3.45Å; A322-V325 PolarHBondContact O-N 3.18Å; A322-V325 VanDerWaalsContact O-N 3.1Å; A322-L326 HydrophobicContact CB-CD1 4.41Å; A322-L326 WeakPolarHBondContact O-CB 3.29Å; A322-L326 WeakPolarHBondContact O-CG 3.22Å; A322-L326 PolarHBondContact O-N 3.32Å; A322-L335 HydrophobicContact CB-CD1 3.92Å; A322-L335 HydrophobicContact CB-CD2 4.08Å
323	I	98.9	Very high	98.6	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-39.9	179.5	-66.9	167.7	0	0	0	111.4	I68 T319 E320 V325 L326 S327 L335 A368 L371 V372	I68-I323 HydrophobicContact CD1-CD1 3.97Å; I68-I323 HydrophobicContact CD1-CG1 4.3Å; T319-I323 HydrophobicContact CG2-CD1 3.91Å; T319-I323 WeakPolarHBondContact O-CG1 3.47Å; T319-I323 PolarHBondContact O-N 3.21Å; E320-I323 PolarHBondContact O-N 2.96Å; I323-V325 VanDerWaalsContact C-N 3.28Å; I323-V325 PolarHBondContact O-N 3.5Å; I323-L326 PolarHBondContact O-N 3.5Å; I323-S327 WeakPolarHBondContact O-CB 3.33Å; I323-S327 PolarHBondContact O-N 3.18Å; I323-S327 PolarHBondContact O-OG 2.99Å; I323-L335 HydrophobicContact CD1-CD2 4.47Å; I323-L335 HydrophobicContact CG1-CD2 3.81Å; I323-A368 HydrophobicContact CD1-CB 3.62Å; I323-L371 HydrophobicContact CB-CD1 4.33Å; I323-L371 HydrophobicContact CD1-CB 4.49Å; I323-L371 HydrophobicContact CD1-CD1 4.29Å; I323-L371 HydrophobicContact CG2-CB 3.91Å; I323-L371 HydrophobicContact CG2-CD1 4.36Å; I323-V372 HydrophobicContact CD1-CG1 4.23Å; I323-V372 HydrophobicContact CG2-CG1 4.04Å
324	K	98.8	Very high	98.6	Very high	82 Å²	82	30.6 Å²	30.6	36%	0.357	16%	0.158	S	C	.	.	H	α-helix	trans	-61.5	-33.2	176.5	-75.5	176.1	-178.7	172.7	0	113.5	W288 E320 A321 A322 R328	W288-K324 HydrophobicContact CB-CB 4.04Å; W288-K324 HydrophobicContact CG-CB 4.5Å; W288-K324 HydrophobicContact CG-CD 4.45Å; E320-K324 HydrophobicContact CG-CD 4.17Å; E320-K324 WeakPolarHBondContact O-CG 3.47Å; E320-K324 PolarHBondContact O-N 3.38Å; E320-K324 WeakPolarHBondContact OE1-CE 3.35Å; E320-K324 IonicContact OE1-NZ 3.99Å; E320-K324 PolarHBondContact OE1-NZ 2.78Å; A321-K324 PolarHBondContact O-N 2.92Å; A322-K324 VanDerWaalsContact C-N 3.31Å; A322-K324 PolarHBondContact O-N 3.45Å; K324-R328 PolarHBondContact O-NH1 3.4Å; K324-R328 VanDerWaalsContact O-NH1 3.07Å
325	V	98.9	Very high	98.6	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-77.1	-53	174.6	176.5	0	0	0	0	110.8	V229 W288 V294 A321 A322 I323	V229-V325 HydrophobicContact CG2-CB 3.7Å; V229-V325 HydrophobicContact CG2-CG1 3.67Å; V229-V325 HydrophobicContact CG2-CG2 4.23Å; W288-V325 HydrophobicContact CB-CG2 4.32Å; W288-V325 HydrophobicContact CE3-CG2 3.99Å; V294-V325 HydrophobicContact CG2-CG2 4.28Å; A321-V325 WeakPolarHBondContact O-CG2 3.15Å; A321-V325 PolarHBondContact O-N 3.12Å; A321-V325 VanDerWaalsContact O-N 3.12Å; A322-V325 PolarHBondContact O-N 3.18Å; A322-V325 VanDerWaalsContact O-N 3.1Å; I323-V325 VanDerWaalsContact C-N 3.28Å; I323-V325 PolarHBondContact O-N 3.5Å
326	L	98.9	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-71.5	-36.1	-169.3	-59.2	176.5	0	0	0	113.7	T175 N228 V229 A322 I323 R328 N329 F333 L335	T175-L326 VanDerWaalsContact O-CD2 3.3Å; T175-L326 WeakPolarHBondContact O-CD2 3.12Å; N228-L326 HydrophobicContact CB-CD2 3.55Å; V229-L326 HydrophobicContact CB-CD2 4.47Å; V229-L326 HydrophobicContact CG2-CD2 3.97Å; V229-L326 HydrophobicContact CG2-CG 4.21Å; A322-L326 HydrophobicContact CB-CD1 4.41Å; A322-L326 WeakPolarHBondContact O-CB 3.29Å; A322-L326 WeakPolarHBondContact O-CG 3.22Å; A322-L326 PolarHBondContact O-N 3.32Å; I323-L326 PolarHBondContact O-N 3.5Å; L326-R328 PolarHBondContact O-N 3.43Å; L326-R328 VanDerWaalsContact O-N 3.14Å; L326-N329 PolarHBondContact O-N 3.2Å; L326-F333 HydrophobicContact CB-CB 3.71Å; L326-F333 HydrophobicContact CB-CD1 4.22Å; L326-F333 HydrophobicContact CB-CD2 4.04Å; L326-F333 HydrophobicContact CB-CG 3.74Å; L326-F333 HydrophobicContact CD1-CB 4.49Å; L326-F333 HydrophobicContact CD1-CD2 4.04Å; L326-F333 HydrophobicContact CD1-CG 4.49Å; L326-L335 HydrophobicContact CD1-CB 3.96Å; L326-L335 HydrophobicContact CD1-CD1 3.93Å; L326-L335 HydrophobicContact CD1-CD2 4.39Å; L326-L335 HydrophobicContact CD1-CG 4.3Å
327	S	98.4	Very high	98.6	Very high	58 Å²	58	28.9 Å²	28.9	41%	0.406	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.7	-175.9	60	0	0	0	0	114.2	I323 N329	I323-S327 WeakPolarHBondContact O-CB 3.33Å; I323-S327 PolarHBondContact O-N 3.18Å; I323-S327 PolarHBondContact O-OG 2.99Å; S327-N329 PolarHBondContact O-N 3.41Å
328	R	97.9	Very high	98.6	Very high	91 Å²	91	25.7 Å²	25.7	34%	0.343	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.8	175.5	-62.9	-162.4	-56.4	-90.5	6.7	113.3	W288 V291 D292 K324 L326 P330	W288-R328 PolarHBondContact O-NH1 2.88Å; V291-R328 PolarHBondContact O-NH2 2.77Å; D292-R328 IonicContact OD1-CZ 2.79Å; D292-R328 IonicContact OD1-NH2 2.73Å; D292-R328 PolarHBondContact OD1-NH2 3.47Å; K324-R328 PolarHBondContact O-NH1 3.4Å; K324-R328 VanDerWaalsContact O-NH1 3.07Å; L326-R328 PolarHBondContact O-N 3.43Å; L326-R328 VanDerWaalsContact O-N 3.14Å; R328-P330 WeakPolarHBondContact O-CD 3.46Å
329	N	98.1	Very high	98.6	Very high	33 Å²	33	25.8 Å²	25.8	18%	0.176	13%	0.132	C	C	.	.			trans	-74.9	116.4	177.8	-172.4	-21.3	0	0	0	110.2	G172 S174 L326 S327 K331 G332	G172-N329 PolarHBondContact O-ND2 2.95Å; S174-N329 PolarHBondContact N-ND2 2.96Å; S174-N329 VanDerWaalsContact OG-CB 3.27Å; S174-N329 WeakPolarHBondContact OG-CB 3.46Å; S174-N329 PolarHBondContact OG-ND2 3.46Å; S174-N329 VanDerWaalsContact OG-ND2 3.12Å; L326-N329 PolarHBondContact O-N 3.2Å; S327-N329 PolarHBondContact O-N 3.41Å; N329-K331 PolarHBondContact O-N 3.32Å; N329-K331 VanDerWaalsContact O-N 3.16Å; N329-K331 VanDerWaalsContact OD1-CB 3.3Å; N329-K331 WeakPolarHBondContact OD1-CB 3.39Å; N329-K331 PolarHBondContact OD1-N 2.97Å; N329-G332 PolarHBondContact O-N 3.23Å
330	P	97.5	Very high	98.6	Very high	111 Å²	111	25.8 Å²	25.8	72%	0.721	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.2	-178.5	26.7	-35.3	0	0	0	113.1	K65 R328 G332	K65-P330 WeakPolarHBondContact CE-O 3.28Å; K65-P330 PolarHBondContact NZ-O 2.81Å; K65-P330 VanDerWaalsContact NZ-O 3.15Å; R328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-G332 VanDerWaalsContact C-N 3.29Å
331	K	97.2	Very high	98.6	Very high	104 Å²	104	25.3 Å²	25.3	45%	0.452	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-25	174.3	-168.2	164.3	-174.6	162.2	0	112.8	A171 F173 N329	A171-K331 WeakPolarHBondContact O-CE 2.92Å; A171-K331 PolarHBondContact O-NZ 2.92Å; F173-K331 HydrophobicContact CD1-CG 4.21Å; F173-K331 HydrophobicContact CD2-CD 4.05Å; F173-K331 HydrophobicContact CD2-CG 4.11Å; F173-K331 HydrophobicContact CE1-CG 4.02Å; F173-K331 WeakPolarHBondContact CE1-O 3.38Å; F173-K331 HydrophobicContact CE2-CD 4.02Å; F173-K331 HydrophobicContact CE2-CG 3.95Å; F173-K331 HydrophobicContact CG-CG 4.24Å; F173-K331 HydrophobicContact CZ-CD 4.45Å; F173-K331 HydrophobicContact CZ-CG 3.89Å; N329-K331 PolarHBondContact O-N 3.32Å; N329-K331 VanDerWaalsContact O-N 3.16Å; N329-K331 VanDerWaalsContact OD1-CB 3.3Å; N329-K331 WeakPolarHBondContact OD1-CB 3.39Å; N329-K331 PolarHBondContact OD1-N 2.97Å
332	G	98.6	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.			trans	108.2	-170.7	-177.2	0	0	0	0	0	113.1	K65 N66 S174 N329 P330	K65-G332 WeakPolarHBondContact O-CA 3.32Å; N66-G332 WeakPolarHBondContact OD1-CA 3.25Å; S174-G332 PolarHBondContact N-O 2.92Å; S174-G332 VanDerWaalsContact N-O 3.14Å; N329-G332 PolarHBondContact O-N 3.23Å; P330-G332 VanDerWaalsContact C-N 3.29Å
333	F	98.9	Very high	98.6	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	160.1	-177.7	66.7	-89.4	0	0	0	115	N66 V67 I68 S174 L326 L335 V372	N66-F333 CarbonylContact C-O 3.55Å; N66-F333 VanDerWaalsContact CA-O 3.26Å; N66-F333 WeakPolarHBondContact CA-O 3.28Å; N66-F333 HydrophobicContact CB-CD1 3.87Å; N66-F333 HydrophobicContact CB-CD2 4.42Å; N66-F333 HydrophobicContact CB-CE1 3.63Å; N66-F333 HydrophobicContact CB-CE2 4.23Å; N66-F333 HydrophobicContact CB-CG 4.25Å; N66-F333 HydrophobicContact CB-CZ 3.83Å; N66-F333 VanDerWaalsContact CG-CD1 3.48Å; N66-F333 WeakPolarHBondContact OD1-CD1 3.31Å; N66-F333 WeakPolarHBondContact OD1-CE1 3.35Å; N66-F333 PolarHBondContact OD1-N 2.78Å; N66-F333 VanDerWaalsContact OD1-N 3.15Å; V67-F333 PolarHBondContact N-O 3.27Å; I68-F333 HydrophobicContact CD1-CE2 3.86Å; I68-F333 HydrophobicContact CD1-CZ 4.07Å; I68-F333 HydrophobicContact CG1-CE2 3.72Å; I68-F333 HydrophobicContact CG1-CZ 4.28Å; S174-F333 CarbonylContact O-C 3.41Å; S174-F333 WeakPolarHBondContact O-CA 3.18Å; S174-F333 WeakPolarHBondContact O-CB 3.28Å; L326-F333 HydrophobicContact CB-CB 3.71Å; L326-F333 HydrophobicContact CB-CD1 4.22Å; L326-F333 HydrophobicContact CB-CD2 4.04Å; L326-F333 HydrophobicContact CB-CG 3.74Å; L326-F333 HydrophobicContact CD1-CB 4.49Å; L326-F333 HydrophobicContact CD1-CD2 4.04Å; L326-F333 HydrophobicContact CD1-CG 4.49Å; F333-L335 HydrophobicContact CD2-CB 3.97Å; F333-L335 HydrophobicContact CE2-CB 4.06Å; F333-V372 HydrophobicContact CZ-CG1 4.17Å
334	L	98.9	Very high	98.6	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.7	167.8	175.3	61	0	0	0	109.3	V67 I165 A168 S174 T175 G176 T489 L493	V67-L334 HydrophobicContact CB-CD1 3.64Å; V67-L334 HydrophobicContact CG1-CD1 3.68Å; V67-L334 WeakPolarHBondContact O-CA 3.39Å; I165-L334 HydrophobicContact CD1-CB 4.36Å; I165-L334 HydrophobicContact CD1-CD2 3.81Å; I165-L334 HydrophobicContact CD1-CG 3.62Å; I165-L334 HydrophobicContact CG1-CD2 4.12Å; I165-L334 HydrophobicContact CG1-CG 4.44Å; A168-L334 HydrophobicContact CB-CB 4.05Å; A168-L334 HydrophobicContact CB-CD2 4.02Å; S174-L334 PolarHBondContact O-N 3.26Å; T175-L334 VanDerWaalsContact CA-O 3.26Å; T175-L334 WeakPolarHBondContact CA-O 3.25Å; T175-L334 HydrophobicContact CG2-CB 4.44Å; G176-L334 PolarHBondContact N-O 2.75Å; L334-T489 HydrophobicContact CD1-CG2 3.66Å; L334-T489 HydrophobicContact CD2-CG2 3.88Å; L334-T489 HydrophobicContact CG-CG2 4.44Å; L334-L493 HydrophobicContact CB-CD1 3.95Å; L334-L493 HydrophobicContact CD1-CD1 4.41Å; L334-L493 HydrophobicContact CD2-CD1 4.45Å; L334-L493 HydrophobicContact CG-CD1 4.49Å
335	L	99	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.6	-178.7	174.4	60.5	0	0	0	110.4	V67 I68 L69 V178 A322 I323 L326 F333 V337	V67-L335 PolarHBondContact O-N 3.38Å; I68-L335 WeakPolarHBondContact CA-O 3.44Å; I68-L335 HydrophobicContact CD1-CD2 4.49Å; I68-L335 HydrophobicContact CG1-CB 4.36Å; I68-L335 HydrophobicContact CG2-CB 4.22Å; I68-L335 HydrophobicContact CG2-CD2 4.15Å; I68-L335 HydrophobicContact CG2-CG 4.18Å; L69-L335 PolarHBondContact N-O 3.18Å; V178-L335 HydrophobicContact CG2-CD1 4.07Å; A322-L335 HydrophobicContact CB-CD1 3.92Å; A322-L335 HydrophobicContact CB-CD2 4.08Å; I323-L335 HydrophobicContact CD1-CD2 4.47Å; I323-L335 HydrophobicContact CG1-CD2 3.81Å; L326-L335 HydrophobicContact CD1-CB 3.96Å; L326-L335 HydrophobicContact CD1-CD1 3.93Å; L326-L335 HydrophobicContact CD1-CD2 4.39Å; L326-L335 HydrophobicContact CD1-CG 4.3Å; F333-L335 HydrophobicContact CD2-CB 3.97Å; F333-L335 HydrophobicContact CE2-CB 4.06Å; L335-V337 HydrophobicContact CD1-CG2 4.22Å; L335-V337 HydrophobicContact CD2-CG2 3.9Å; L335-V337 HydrophobicContact CG-CG2 3.74Å
336	L	98.9	Very high	98.6	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.1	166.2	175.9	72.4	0	0	0	109.2	L69 I71 F130 M131 I165 G176 I177 V178 A191	L69-L336 HydrophobicContact CB-CD1 4.45Å; L69-L336 HydrophobicContact CD2-CD1 4.13Å; L69-L336 HydrophobicContact CG-CD1 4.19Å; L69-L336 WeakPolarHBondContact O-CA 3.43Å; I71-L336 HydrophobicContact CG1-CD1 3.79Å; F130-L336 HydrophobicContact CE2-CD1 4.25Å; M131-L336 HydrophobicContact CE-CD1 4.03Å; M131-L336 HydrophobicContact CE-CD2 3.24Å; M131-L336 HydrophobicContact CE-CG 4.28Å; M131-L336 HydrophobicContact SD-CD2 4.06Å; I165-L336 HydrophobicContact CD1-CB 4.47Å; G176-L336 PolarHBondContact O-N 2.94Å; I177-L336 HydrophobicContact CG2-CD2 4.36Å; V178-L336 PolarHBondContact N-O 2.88Å; A191-L336 HydrophobicContact CB-CD2 4.42Å
337	V	99	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.9	174.5	-175	0	0	0	0	109	I68 L69 F70 I71 V178 L315 T319 L335 A364	I68-V337 HydrophobicContact CG2-CG2 4.18Å; L69-V337 PolarHBondContact O-N 3.33Å; F70-V337 CarbonylContact C-O 3.56Å; F70-V337 VanDerWaalsContact CA-O 3.27Å; F70-V337 WeakPolarHBondContact CA-O 3.49Å; F70-V337 HydrophobicContact CD1-CB 3.55Å; F70-V337 HydrophobicContact CD1-CG1 3.76Å; F70-V337 HydrophobicContact CD1-CG2 4.09Å; F70-V337 HydrophobicContact CE1-CB 3.74Å; F70-V337 HydrophobicContact CE1-CG1 3.86Å; F70-V337 HydrophobicContact CE1-CG2 3.79Å; F70-V337 HydrophobicContact CG-CB 4.37Å; F70-V337 HydrophobicContact CZ-CG2 4.39Å; I71-V337 PolarHBondContact N-O 2.84Å; V178-V337 HydrophobicContact CB-CG1 4.49Å; V178-V337 HydrophobicContact CB-CG2 4.44Å; V178-V337 HydrophobicContact CG1-CG1 4.4Å; V178-V337 CarbonylContact O-C 3.55Å; V178-V337 VanDerWaalsContact O-CA 3.3Å; V178-V337 WeakPolarHBondContact O-CA 3.45Å; L315-V337 HydrophobicContact CD1-CG1 3.62Å; L315-V337 HydrophobicContact CD2-CG1 4.31Å; L315-V337 HydrophobicContact CG-CG1 4Å; T319-V337 HydrophobicContact CG2-CG2 4.2Å; T319-V337 WeakPolarHBondContact OG1-CG1 3.44Å; L335-V337 HydrophobicContact CD1-CG2 4.22Å; L335-V337 HydrophobicContact CD2-CG2 3.9Å; L335-V337 HydrophobicContact CG-CG2 3.74Å; V337-A364 HydrophobicContact CG1-CB 4.47Å
338	E	98.9	Very high	98.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.9	-175.3	-173.6	-154.7	170	0	0	111.9	I71 V178 T179 T180 T187 P188 G340	I71-E338 HydrophobicContact CB-CG 4.4Å; I71-E338 HydrophobicContact CG2-CG 4.49Å; I71-E338 CarbonylContact O-C 3.56Å; I71-E338 VanDerWaalsContact O-CA 3.3Å; I71-E338 WeakPolarHBondContact O-CA 3.42Å; V178-E338 PolarHBondContact O-N 2.92Å; T179-E338 WeakPolarHBondContact CA-O 3.14Å; T179-E338 WeakPolarHBondContact CB-OE2 3.38Å; T179-E338 VanDerWaalsContact OG1-CD 3.29Å; T179-E338 PolarHBondContact OG1-OE2 2.93Å; T180-E338 PolarHBondContact N-O 2.83Å; T180-E338 VanDerWaalsContact N-O 3.1Å; T187-E338 WeakPolarHBondContact CB-OE1 3.39Å; T187-E338 HydrophobicContact CG2-CG 3.95Å; P188-E338 VanDerWaalsContact CD-OE2 3.26Å; P188-E338 WeakPolarHBondContact CD-OE2 3.33Å; E338-G340 VanDerWaalsContact C-N 3.29Å; E338-G340 PolarHBondContact O-N 3.35Å
339	G	98.9	Very high	98.6	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.102	C	C	.	.			trans	-86.7	59.6	166.8	0	0	0	0	0	111.6	I71 R341 I342	I71-G339 PolarHBondContact O-N 2.97Å; G339-R341 PolarHBondContact O-N 3.01Å; G339-I342 WeakPolarHBondContact O-CD1 3.44Å; G339-I342 VanDerWaalsContact O-CG1 3.29Å; G339-I342 WeakPolarHBondContact O-CG1 3.09Å; G339-I342 PolarHBondContact O-N 3.41Å
340	G	98.8	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	1.2	-169.1	0	0	0	0	0	116.1	T180 T181 E338 I342 H344	T180-G340 PolarHBondContact OG1-N 3.47Å; T181-G340 VanDerWaalsContact CG2-CA 3.48Å; E338-G340 VanDerWaalsContact C-N 3.29Å; E338-G340 PolarHBondContact O-N 3.35Å; G340-I342 VanDerWaalsContact C-N 3.3Å; G340-H344 PolarHBondContact O-CE1 2.99Å; G340-H344 PolarHBondContact O-ND1 3.29Å
341	R	98.8	Very high	98.7	Very high	31 Å²	31	14.8 Å²	14.8	12%	0.117	7%	0.068	C	C	.	.	H	α-helix	trans	-79.8	-13.6	169.9	-64.7	-55.6	-64.5	171.1	-10.2	112.4	T180 H302 Y305 G339 H344 G345 E357	T180-R341 PolarHBondContact OG1-N 3.2Å; H302-R341 PolarHBondContact CD2-NH1 3.2Å; H302-R341 VanDerWaalsContact CD2-NH1 3.28Å; Y305-R341 HydrophobicContact CD1-CB 3.82Å; Y305-R341 HydrophobicContact CD1-CG 4.37Å; Y305-R341 HydrophobicContact CE1-CB 3.8Å; Y305-R341 HydrophobicContact CE1-CG 4.5Å; Y305-R341 WeakPolarHBondContact CE1-O 3.17Å; Y305-R341 PolarHBondContact OH-NH2 3.13Å; G339-R341 PolarHBondContact O-N 3.01Å; R341-H344 PolarHBondContact NH1-CE1 2.57Å; R341-H344 PolarHBondContact NH1-ND1 3.41Å; R341-H344 PolarHBondContact O-N 3.39Å; R341-G345 PolarHBondContact O-N 3.01Å; R341-E357 HydrophobicContact CB-CB 4.37Å; R341-E357 HydrophobicContact CB-CG 3.63Å; R341-E357 WeakPolarHBondContact CB-OE2 3.49Å
342	I	98.9	Very high	98.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.9	-53.8	173.1	-62.6	167.4	0	0	0	110.1	D73 M75 T79 G339 G340 H344 G345 N346 E357 L361	D73-I342 WeakPolarHBondContact O-CB 3.49Å; D73-I342 WeakPolarHBondContact O-CG2 3.3Å; M75-I342 HydrophobicContact CB-CD1 4.4Å; M75-I342 HydrophobicContact CB-CG2 4.32Å; T79-I342 HydrophobicContact CG2-CG2 3.8Å; G339-I342 WeakPolarHBondContact O-CD1 3.44Å; G339-I342 VanDerWaalsContact O-CG1 3.29Å; G339-I342 WeakPolarHBondContact O-CG1 3.09Å; G339-I342 PolarHBondContact O-N 3.41Å; G340-I342 VanDerWaalsContact C-N 3.3Å; I342-H344 VanDerWaalsContact C-N 3.34Å; I342-H344 PolarHBondContact O-N 3.36Å; I342-G345 PolarHBondContact O-N 3.31Å; I342-G345 VanDerWaalsContact O-N 3.14Å; I342-N346 PolarHBondContact O-N 3.36Å; I342-E357 HydrophobicContact CB-CB 4.48Å; I342-E357 HydrophobicContact CG1-CB 3.59Å; I342-L361 HydrophobicContact CD1-CB 4.46Å; I342-L361 HydrophobicContact CD1-CD2 4.22Å
343	D	98.8	Very high	98.8	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-56.5	-44.6	176.9	178.5	57	0	0	0	112.7	D73 G345 N346 H347 H385 H387 H459	D73-D343 HydrophobicContact CB-CB 3.98Å; D73-D343 WeakPolarHBondContact O-CA 3.27Å; D73-D343 WeakPolarHBondContact O-CB 3.31Å; D73-D343 PolarHBondContact O-N 3.06Å; D73-D343 VanDerWaalsContact OD1-CB 3.23Å; D73-D343 WeakPolarHBondContact OD1-CB 3.21Å; D343-G345 VanDerWaalsContact C-N 3.33Å; D343-G345 PolarHBondContact O-N 2.7Å; D343-N346 CarbonylContact O-C 3.34Å; D343-N346 PolarHBondContact O-N 2.96Å; D343-N346 VanDerWaalsContact O-N 3.14Å; D343-H347 WeakPolarHBondContact O-CB 3.26Å; D343-H347 PolarHBondContact O-N 2.57Å; D343-H347 IonicContact OD1-CD2 3.88Å; D343-H347 IonicContact OD1-NE2 3.67Å; D343-H347 IonicContact OD2-CD2 3.94Å; D343-H347 PolarHBondContact OD2-CD2 3.31Å; D343-H347 IonicContact OD2-NE2 3.26Å; D343-H347 PolarHBondContact OD2-NE2 3.3Å; D343-H347 VanDerWaalsContact OD2-NE2 3.17Å; D343-H385 IonicContact OD1-CE1 3.14Å; D343-H385 PolarHBondContact OD1-CE1 3.35Å; D343-H387 IonicContact OD1-CD2 2.73Å; D343-H387 PolarHBondContact OD1-CD2 3.18Å; D343-H387 VanDerWaalsContact OD1-CD2 3.26Å; D343-H387 IonicContact OD1-NE2 2.83Å; D343-H387 PolarHBondContact OD1-NE2 3.01Å; D343-H459 IonicContact OD1-CD2 3.11Å; D343-H459 IonicContact OD1-NE2 3.49Å
344	H	98.8	Very high	98.8	Very high	27 Å²	27	11.7 Å²	11.7	13%	0.125	6%	0.055	C	C	.	.	H	α-helix	trans	-61	-40.7	177.1	-65.1	117.5	0	0	0	112.7	H302 Y305 G340 R341 I342 N346 Q348	H302-H344 AromaticContact CD2-CE1 3.88Å; H302-H344 AromaticContact CD2-NE2 3.9Å; H302-H344 AromaticContact CE1-CE1 3.58Å; H302-H344 AromaticContact CE1-NE2 3.67Å; H302-H344 AromaticContact ND1-CE1 3.91Å; H302-H344 AromaticContact NE2-CE1 3.58Å; H302-H344 AromaticContact NE2-NE2 3.34Å; H302-H344 PolarHBondContact NE2-NE2 2.85Å; Y305-H344 HydrophobicContact CE1-CB 4.36Å; Y305-H344 VanDerWaalsContact OH-CB 3.25Å; Y305-H344 WeakPolarHBondContact OH-CB 3.37Å; Y305-H344 PolarHBondContact OH-O 3.34Å; G340-H344 PolarHBondContact O-CE1 2.99Å; G340-H344 PolarHBondContact O-ND1 3.29Å; R341-H344 PolarHBondContact NH1-CE1 2.57Å; R341-H344 PolarHBondContact NH1-ND1 3.41Å; R341-H344 PolarHBondContact O-N 3.39Å; I342-H344 VanDerWaalsContact C-N 3.34Å; I342-H344 PolarHBondContact O-N 3.36Å; H344-N346 VanDerWaalsContact C-N 3.34Å; H344-Q348 VanDerWaalsContact O-CG 3.31Å; H344-Q348 WeakPolarHBondContact O-CG 3.46Å; H344-Q348 PolarHBondContact O-N 3.17Å
345	G	98.7	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.8	-44.5	174.6	0	0	0	0	0	111.2	Y305 R341 I342 D343 Q348 N349 Q350	Y305-G345 PolarHBondContact OH-N 2.97Å; R341-G345 PolarHBondContact O-N 3.01Å; I342-G345 PolarHBondContact O-N 3.31Å; I342-G345 VanDerWaalsContact O-N 3.14Å; D343-G345 VanDerWaalsContact C-N 3.33Å; D343-G345 PolarHBondContact O-N 2.7Å; G345-Q348 PolarHBondContact O-N 3.17Å; G345-N349 PolarHBondContact O-N 3.17Å; G345-Q350 PolarHBondContact O-N 2.73Å
346	N	98.8	Very high	98.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.2	-43.4	178.2	-77.2	-30.9	0	0	0	112.6	G74 I342 D343 H344 Q348 N349 A354 H387 F421 S457	G74-N346 PolarHBondContact O-ND2 3.37Å; I342-N346 PolarHBondContact O-N 3.36Å; D343-N346 CarbonylContact O-C 3.34Å; D343-N346 PolarHBondContact O-N 2.96Å; D343-N346 VanDerWaalsContact O-N 3.14Å; H344-N346 VanDerWaalsContact C-N 3.34Å; N346-Q348 PolarHBondContact O-N 2.75Å; N346-N349 PolarHBondContact O-N 3.12Å; N346-A354 WeakPolarHBondContact OD1-CB 3.25Å; N346-H387 HydrophobicContact CB-CB 4.02Å; N346-H387 VanDerWaalsContact CB-CD2 3.41Å; N346-H387 WeakPolarHBondContact CB-CD2 3.37Å; N346-F421 HydrophobicContact CB-CE1 4.26Å; N346-F421 WeakPolarHBondContact O-CE1 3.49Å; N346-S457 WeakPolarHBondContact O-CB 3.36Å
347	H	98.6	Very high	98.8	Very high	31 Å²	31	12 Å²	12	14%	0.144	6%	0.057	C	C	.	.	H	α-helix	trans	-54.9	-34.9	173.6	-88.4	-45.3	0	0	0	113	D343 N349 H387 P425 L456 S457 H459	D343-H347 WeakPolarHBondContact O-CB 3.26Å; D343-H347 PolarHBondContact O-N 2.57Å; D343-H347 IonicContact OD1-CD2 3.88Å; D343-H347 IonicContact OD1-NE2 3.67Å; D343-H347 IonicContact OD2-CD2 3.94Å; D343-H347 PolarHBondContact OD2-CD2 3.31Å; D343-H347 IonicContact OD2-NE2 3.26Å; D343-H347 PolarHBondContact OD2-NE2 3.3Å; D343-H347 VanDerWaalsContact OD2-NE2 3.17Å; H347-N349 VanDerWaalsContact C-N 3.32Å; H347-H387 AromaticContact CE1-NE2 3.82Å; H347-H387 AromaticContact CG-NE2 3.7Å; H347-H387 PolarHBondContact N-NE2 3.15Å; H347-H387 AromaticContact ND1-CE1 3.87Å; H347-H387 AromaticContact ND1-NE2 3.4Å; H347-H387 PolarHBondContact ND1-NE2 2.79Å; H347-P425 WeakPolarHBondContact O-CD 3.36Å; H347-L456 HydrophobicContact CB-CB 4.34Å; H347-L456 HydrophobicContact CB-CD2 4.29Å; H347-L456 CarbonylContact O-C 3.57Å; H347-L456 WeakPolarHBondContact O-CA 3.5Å; H347-S457 PolarHBondContact CE1-O 2.99Å; H347-S457 VanDerWaalsContact CE1-O 3.28Å; H347-S457 PolarHBondContact ND1-O 2.78Å; H347-S457 PolarHBondContact O-N 3.36Å; H347-H459 AromaticContact CE1-CD2 3.51Å; H347-H459 AromaticContact CE1-NE2 3.3Å; H347-H459 PolarHBondContact CE1-NE2 2.77Å; H347-H459 VanDerWaalsContact CE1-NE2 3.3Å; H347-H459 AromaticContact NE2-CD2 3.92Å; H347-H459 AromaticContact NE2-NE2 3.31Å; H347-H459 PolarHBondContact NE2-NE2 3.03Å
348	Q	98.6	Very high	98.8	Very high	70 Å²	70	12 Å²	12	33%	0.327	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5	178.7	-60.9	-57.2	-29.7	0	0	113.8	H344 G345 N346 Q350 T447	H344-Q348 VanDerWaalsContact O-CG 3.31Å; H344-Q348 WeakPolarHBondContact O-CG 3.46Å; H344-Q348 PolarHBondContact O-N 3.17Å; G345-Q348 PolarHBondContact O-N 3.17Å; N346-Q348 PolarHBondContact O-N 2.75Å; Q348-Q350 HydrophobicContact CB-CB 4.28Å; Q348-Q350 HydrophobicContact CB-CG 3.92Å; Q348-Q350 VanDerWaalsContact CB-OE1 3.26Å; Q348-Q350 PolarHBondContact O-N 2.75Å; Q348-T447 WeakPolarHBondContact O-CG2 3.34Å
349	N	98.6	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	32.5	-169.4	-64.8	-4.9	0	0	0	113.2	G345 N346 H347 F421 N423 P425 T447 A448 S450 S457	G345-N349 PolarHBondContact O-N 3.17Å; N346-N349 PolarHBondContact O-N 3.12Å; H347-N349 VanDerWaalsContact C-N 3.32Å; N349-F421 HydrophobicContact CB-CB 4.38Å; N349-F421 HydrophobicContact CB-CD1 4.31Å; N349-F421 HydrophobicContact CB-CD2 3.81Å; N349-F421 HydrophobicContact CB-CE2 4.11Å; N349-F421 HydrophobicContact CB-CG 3.91Å; N349-F421 VanDerWaalsContact OD1-CD1 3.31Å; N349-F421 WeakPolarHBondContact OD1-CD1 3.47Å; N349-F421 WeakPolarHBondContact OD1-CG 3.45Å; N349-N423 PolarHBondContact OD1-O 3.12Å; N349-P425 PolarHBondContact ND2-O 3.31Å; N349-T447 HydrophobicContact CB-CG2 4.09Å; N349-A448 HydrophobicContact CB-CB 4.35Å; N349-A448 PolarHBondContact ND2-O 3.09Å; N349-A448 PolarHBondContact O-N 3.08Å; N349-S450 WeakPolarHBondContact ND2-CB 3.3Å; N349-S457 WeakPolarHBondContact OD1-CB 3.34Å
350	Q	98.6	Very high	98.7	Very high	24 Å²	24	13.1 Å²	13.1	11%	0.112	6%	0.062	C	C	.	.			trans	-107.2	80.8	-177.1	-73	170	-26.1	0	0	109.4	G345 Q348 Q352 Y353 A354 N445 Y446	G345-Q350 PolarHBondContact O-N 2.73Å; Q348-Q350 HydrophobicContact CB-CB 4.28Å; Q348-Q350 HydrophobicContact CB-CG 3.92Å; Q348-Q350 VanDerWaalsContact CB-OE1 3.26Å; Q348-Q350 PolarHBondContact O-N 2.75Å; Q350-Q352 VanDerWaalsContact C-N 3.26Å; Q350-Q352 PolarHBondContact O-N 2.71Å; Q350-Y353 HydrophobicContact CB-CD2 3.72Å; Q350-Y353 HydrophobicContact CB-CG 4.5Å; Q350-Y353 HydrophobicContact CG-CD2 4.22Å; Q350-Y353 PolarHBondContact O-N 3.23Å; Q350-Y353 VanDerWaalsContact OE1-CD2 3.25Å; Q350-A354 PolarHBondContact O-N 3.22Å; Q350-A354 VanDerWaalsContact O-N 3.12Å; Q350-N445 PolarHBondContact NE2-O 2.98Å; Q350-Y446 WeakPolarHBondContact CG-O 3.46Å
351	A	98.6	Very high	98.8	Very high	9 Å²	9	13.1 Å²	13.1	7%	0.074	6%	0.062	C	C	.	.	H	α-helix	trans	-56.5	-38.9	-177.3	0	0	0	0	0	112.2	Y353 A354 L355 Y389 L402 F421	A351-Y353 VanDerWaalsContact C-N 3.32Å; A351-Y353 PolarHBondContact O-N 2.86Å; A351-A354 PolarHBondContact O-N 3.37Å; A351-L355 VanDerWaalsContact O-CB 3.32Å; A351-L355 WeakPolarHBondContact O-CB 3.41Å; A351-L355 WeakPolarHBondContact O-CG 3.16Å; A351-L355 PolarHBondContact O-N 3.26Å; A351-Y389 HydrophobicContact CB-CE2 4.21Å; A351-L402 HydrophobicContact CB-CD2 3.93Å; A351-F421 HydrophobicContact CB-CE2 4.11Å; A351-F421 HydrophobicContact CB-CZ 4.32Å
352	Q	98.5	Very high	98.8	Very high	37 Å²	37	12 Å²	12	17%	0.173	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-39.9	-179.6	-169.6	170.4	13.5	0	0	112.7	L307 Q350 T356 L402 F442 A443	L307-Q352 HydrophobicContact CD1-CG 3.84Å; Q350-Q352 VanDerWaalsContact C-N 3.26Å; Q350-Q352 PolarHBondContact O-N 2.71Å; Q352-T356 WeakPolarHBondContact O-CB 3.07Å; Q352-T356 PolarHBondContact O-N 3.09Å; Q352-T356 VanDerWaalsContact O-N 3.08Å; Q352-T356 PolarHBondContact O-OG1 3.33Å; Q352-L402 HydrophobicContact CB-CD1 3.86Å; Q352-L402 HydrophobicContact CB-CD2 4.13Å; Q352-L402 HydrophobicContact CG-CD1 3.66Å; Q352-F442 PolarHBondContact NE2-O 2.92Å; Q352-F442 PolarHBondContact OE1-O 2.84Å; Q352-A443 PolarHBondContact OE1-O 2.8Å
353	Y	98.7	Very high	98.7	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-65.7	-54.6	171.1	-71.3	-47.2	0	0	0	110.9	Y305 L307 E308 Q350 A351 L355 T356 E357 S444 N445	Y305-Y353 AromaticContact CD1-CD1 3.99Å; Y305-Y353 HydrophobicContact CD1-CD1 3.99Å; Y305-Y353 AromaticContact CD1-CG 3.99Å; Y305-Y353 HydrophobicContact CD1-CG 3.99Å; Y305-Y353 AromaticContact CD2-CD1 3.8Å; Y305-Y353 HydrophobicContact CD2-CD1 3.8Å; Y305-Y353 HydrophobicContact CD2-CD2 4.03Å; Y305-Y353 AromaticContact CD2-CE1 3.89Å; Y305-Y353 HydrophobicContact CD2-CE1 3.89Å; Y305-Y353 HydrophobicContact CD2-CE2 4.12Å; Y305-Y353 AromaticContact CD2-CG 3.92Å; Y305-Y353 HydrophobicContact CD2-CG 3.92Å; Y305-Y353 HydrophobicContact CE1-CG 4.11Å; Y305-Y353 HydrophobicContact CE2-CD1 4.37Å; Y305-Y353 AromaticContact CE2-CD2 3.82Å; Y305-Y353 HydrophobicContact CE2-CD2 3.82Å; Y305-Y353 HydrophobicContact CE2-CE2 4.1Å; Y305-Y353 HydrophobicContact CE2-CG 4.01Å; Y305-Y353 AromaticContact CG-CD1 3.57Å; Y305-Y353 HydrophobicContact CG-CD1 3.57Å; Y305-Y353 HydrophobicContact CG-CD2 4.46Å; Y305-Y353 AromaticContact CG-CE1 3.98Å; Y305-Y353 HydrophobicContact CG-CE1 3.98Å; Y305-Y353 AromaticContact CG-CG 3.89Å; Y305-Y353 HydrophobicContact CG-CG 3.89Å; L307-Y353 HydrophobicContact CB-CD1 4.37Å; L307-Y353 HydrophobicContact CB-CE1 4.01Å; L307-Y353 HydrophobicContact CD1-CD1 3.88Å; L307-Y353 HydrophobicContact CD1-CE1 4.02Å; L307-Y353 HydrophobicContact CG-CD1 4.47Å; E308-Y353 HydrophobicContact CG-CE1 4.29Å; E308-Y353 VanDerWaalsContact OE1-CZ 3.24Å; E308-Y353 PolarHBondContact OE1-OH 3.06Å; Q350-Y353 HydrophobicContact CB-CD2 3.72Å; Q350-Y353 HydrophobicContact CB-CG 4.5Å; Q350-Y353 HydrophobicContact CG-CD2 4.22Å; Q350-Y353 PolarHBondContact O-N 3.23Å; Q350-Y353 VanDerWaalsContact OE1-CD2 3.25Å; A351-Y353 VanDerWaalsContact C-N 3.32Å; A351-Y353 PolarHBondContact O-N 2.86Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 2.86Å; Y353-T356 PolarHBondContact O-N 3.04Å; Y353-E357 WeakPolarHBondContact O-CB 3.33Å; Y353-E357 VanDerWaalsContact O-CG 3.27Å; Y353-E357 WeakPolarHBondContact O-CG 3.46Å; Y353-E357 PolarHBondContact O-N 3Å; Y353-S444 WeakPolarHBondContact CD2-O 3.3Å; Y353-S444 WeakPolarHBondContact CE2-O 3.11Å; Y353-S444 VanDerWaalsContact CZ-O 3.26Å; Y353-S444 PolarHBondContact OH-OG 3.35Å; Y353-N445 HydrophobicContact CE2-CB 4.04Å
354	A	98.8	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56	-45	-176	0	0	0	0	0	113.1	N346 Q350 A351 T358	N346-A354 WeakPolarHBondContact OD1-CB 3.25Å; Q350-A354 PolarHBondContact O-N 3.22Å; Q350-A354 VanDerWaalsContact O-N 3.12Å; A351-A354 PolarHBondContact O-N 3.37Å; A354-T358 PolarHBondContact O-N 2.79Å; A354-T358 VanDerWaalsContact O-N 3.11Å; A354-T358 PolarHBondContact O-OG1 2.91Å
355	L	98.8	Very high	98.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-71.8	-39.7	179.9	-60	-173.2	0	0	0	111.9	T79 A83 L86 A351 Y353 T358 L359 Y389 V401 L402	T79-L355 HydrophobicContact CG2-CD2 4.17Å; T79-L355 WeakPolarHBondContact O-CD2 3.5Å; A83-L355 HydrophobicContact CB-CD2 4.4Å; L86-L355 HydrophobicContact CD2-CB 3.62Å; A351-L355 VanDerWaalsContact O-CB 3.32Å; A351-L355 WeakPolarHBondContact O-CB 3.41Å; A351-L355 WeakPolarHBondContact O-CG 3.16Å; A351-L355 PolarHBondContact O-N 3.26Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 2.86Å; L355-T358 WeakPolarHBondContact O-CB 3.33Å; L355-T358 PolarHBondContact O-N 3.47Å; L355-L359 PolarHBondContact O-N 2.86Å; L355-Y389 HydrophobicContact CD2-CE1 4.19Å; L355-V401 HydrophobicContact CD1-CG1 3.7Å; L355-L402 HydrophobicContact CD1-CD2 4.11Å
356	T	98.7	Very high	98.8	Very high	8 Å²	8	19.4 Å²	19.4	5%	0.049	9%	0.092	C	C	.	.	H	α-helix	trans	-66.4	-39.9	176.7	-58.6	0	0	0	0	111.6	R306 L307 Q352 Y353 T358 L359 E360	R306-T356 HydrophobicContact CB-CG2 4.37Å; R306-T356 HydrophobicContact CG-CG2 4.39Å; L307-T356 HydrophobicContact CD1-CG2 4.48Å; L307-T356 HydrophobicContact CD2-CG2 3.95Å; L307-T356 HydrophobicContact CG-CG2 3.96Å; Q352-T356 WeakPolarHBondContact O-CB 3.07Å; Q352-T356 PolarHBondContact O-N 3.09Å; Q352-T356 VanDerWaalsContact O-N 3.08Å; Q352-T356 PolarHBondContact O-OG1 3.33Å; Y353-T356 PolarHBondContact O-N 3.04Å; T356-T358 VanDerWaalsContact C-N 3.26Å; T356-T358 PolarHBondContact O-N 3.4Å; T356-L359 WeakPolarHBondContact O-CB 3.43Å; T356-L359 PolarHBondContact O-N 3.16Å; T356-L359 VanDerWaalsContact O-N 3.09Å; T356-E360 PolarHBondContact O-N 3.49Å
357	E	98.9	Very high	98.8	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-64.7	-31.1	174.5	-65.9	-58.7	135.9	0	0	112.1	Y305 R306 R341 I342 Y353 L359 E360 L361	Y305-E357 VanDerWaalsContact CA-OE1 3.25Å; Y305-E357 WeakPolarHBondContact CA-OE1 3.19Å; Y305-E357 HydrophobicContact CD1-CG 3.8Å; Y305-E357 HydrophobicContact CE1-CG 4.34Å; R306-E357 WeakPolarHBondContact CB-OE1 3.38Å; R306-E357 PolarHBondContact N-OE1 2.79Å; R341-E357 HydrophobicContact CB-CB 4.37Å; R341-E357 HydrophobicContact CB-CG 3.63Å; R341-E357 WeakPolarHBondContact CB-OE2 3.49Å; I342-E357 HydrophobicContact CB-CB 4.48Å; I342-E357 HydrophobicContact CG1-CB 3.59Å; Y353-E357 WeakPolarHBondContact O-CB 3.33Å; Y353-E357 VanDerWaalsContact O-CG 3.27Å; Y353-E357 WeakPolarHBondContact O-CG 3.46Å; Y353-E357 PolarHBondContact O-N 3Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.03Å; E357-E360 WeakPolarHBondContact O-CB 3.46Å; E357-E360 PolarHBondContact O-N 2.85Å; E357-E360 VanDerWaalsContact O-N 3.13Å; E357-L361 PolarHBondContact O-N 3.09Å
358	T	98.9	Very high	98.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.7	-36.4	172.1	-55.1	0	0	0	0	111.4	M75 T79 A83 L100 W102 A354 L355 T356 E360 L361 E362	M75-T358 HydrophobicContact CG-CG2 4.32Å; M75-T358 HydrophobicContact SD-CG2 3.91Å; T79-T358 WeakPolarHBondContact CG2-OG1 3.33Å; A83-T358 HydrophobicContact CB-CG2 3.48Å; A83-T358 VanDerWaalsContact CB-CG2 3.48Å; L100-T358 HydrophobicContact CD1-CG2 4.28Å; W102-T358 HydrophobicContact CZ2-CG2 4.44Å; A354-T358 PolarHBondContact O-N 2.79Å; A354-T358 VanDerWaalsContact O-N 3.11Å; A354-T358 PolarHBondContact O-OG1 2.91Å; L355-T358 WeakPolarHBondContact O-CB 3.33Å; L355-T358 PolarHBondContact O-N 3.47Å; T356-T358 VanDerWaalsContact C-N 3.26Å; T356-T358 PolarHBondContact O-N 3.4Å; T358-E360 VanDerWaalsContact C-N 3.32Å; T358-L361 WeakPolarHBondContact O-CB 3.48Å; T358-L361 PolarHBondContact O-N 3.37Å; T358-E362 PolarHBondContact O-N 3.22Å
359	L	98.8	Very high	98.8	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.068	9%	0.09	C	C	.	.	H	α-helix	trans	-70.5	-27	172.4	-57.8	-177.4	0	0	0	112.7	A83 L86 K87 K90 L100 L355 T356 E357 E362 K363	A83-L359 HydrophobicContact CB-CD2 4.22Å; L86-L359 HydrophobicContact CD2-CD1 4.12Å; L86-L359 HydrophobicContact CG-CD1 4.17Å; K87-L359 HydrophobicContact CB-CD2 3.86Å; K87-L359 HydrophobicContact CG-CD2 4.47Å; K90-L359 HydrophobicContact CD-CD1 3.92Å; L100-L359 HydrophobicContact CD2-CD2 3.8Å; L355-L359 PolarHBondContact O-N 2.86Å; T356-L359 WeakPolarHBondContact O-CB 3.43Å; T356-L359 PolarHBondContact O-N 3.16Å; T356-L359 VanDerWaalsContact O-N 3.09Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.03Å; L359-E362 WeakPolarHBondContact O-CB 3.42Å; L359-E362 PolarHBondContact O-N 3.28Å; L359-K363 WeakPolarHBondContact O-CG 3.42Å; L359-K363 PolarHBondContact O-N 2.72Å; L359-K363 VanDerWaalsContact O-N 3.11Å
360	E	98.8	Very high	98.8	Very high	11 Å²	11	23 Å²	23	5%	0.051	12%	0.117	C	C	.	.	H	α-helix	trans	-72.2	-35.8	171.1	-66.8	-58.9	120.6	0	0	112.5	R306 T356 E357 T358 E362 K363 A364	R306-E360 HydrophobicContact CB-CG 3.6Å; R306-E360 VanDerWaalsContact CD-OE2 3.32Å; R306-E360 WeakPolarHBondContact CD-OE2 3.44Å; R306-E360 HydrophobicContact CG-CG 3.63Å; R306-E360 WeakPolarHBondContact CG-OE1 3.15Å; T356-E360 PolarHBondContact O-N 3.49Å; E357-E360 WeakPolarHBondContact O-CB 3.46Å; E357-E360 PolarHBondContact O-N 2.85Å; E357-E360 VanDerWaalsContact O-N 3.13Å; T358-E360 VanDerWaalsContact C-N 3.32Å; E360-E362 VanDerWaalsContact C-N 3.32Å; E360-K363 PolarHBondContact O-N 3.4Å; E360-K363 WeakPolarHBondContact OE1-CE 3.43Å; E360-K363 IonicContact OE1-NZ 2.64Å; E360-K363 PolarHBondContact OE1-NZ 2.7Å; E360-A364 PolarHBondContact O-N 3.09Å; E360-A364 VanDerWaalsContact O-N 3.12Å
361	L	99	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-42.2	169.5	-176.3	65.1	0	0	0	111	F70 M75 W102 L315 I342 E357 T358 K363 A364 V365	F70-L361 HydrophobicContact CB-CD1 4.24Å; F70-L361 HydrophobicContact CD1-CD1 4.1Å; M75-L361 HydrophobicContact CE-CD2 4.47Å; M75-L361 HydrophobicContact SD-CD2 3.98Å; W102-L361 HydrophobicContact CH2-CB 4.41Å; W102-L361 HydrophobicContact CH2-CD2 4.23Å; W102-L361 HydrophobicContact CH2-CG 4.21Å; W102-L361 HydrophobicContact CZ3-CG 4.25Å; L315-L361 HydrophobicContact CD2-CD1 3.95Å; I342-L361 HydrophobicContact CD1-CB 4.46Å; I342-L361 HydrophobicContact CD1-CD2 4.22Å; E357-L361 PolarHBondContact O-N 3.09Å; T358-L361 WeakPolarHBondContact O-CB 3.48Å; T358-L361 PolarHBondContact O-N 3.37Å; L361-K363 PolarHBondContact O-N 2.93Å; L361-A364 WeakPolarHBondContact O-CB 3.32Å; L361-A364 PolarHBondContact O-N 3.4Å; L361-A364 VanDerWaalsContact O-N 3.13Å; L361-V365 WeakPolarHBondContact O-CG2 3.19Å; L361-V365 PolarHBondContact O-N 2.69Å
362	E	98.8	Very high	98.8	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-54.4	-49.9	172.2	174	171.6	-127	0	0	112.4	K87 L100 V101 W102 T358 L359 E360 A364 V365 E366	K87-E362 WeakPolarHBondContact CD-OE2 3.33Å; K87-E362 WeakPolarHBondContact CE-OE2 3.35Å; K87-E362 IonicContact NZ-OE1 3.7Å; K87-E362 PolarHBondContact NZ-OE1 2.84Å; K87-E362 IonicContact NZ-OE2 2.87Å; K87-E362 PolarHBondContact NZ-OE2 2.76Å; K87-E362 VanDerWaalsContact NZ-OE2 3.16Å; L100-E362 WeakPolarHBondContact CA-OE1 3.3Å; V101-E362 HydrophobicContact CB-CG 4.35Å; V101-E362 HydrophobicContact CG1-CG 3.99Å; V101-E362 PolarHBondContact N-OE1 3.31Å; W102-E362 HydrophobicContact CH2-CB 4Å; W102-E362 HydrophobicContact CZ3-CB 3.84Å; T358-E362 PolarHBondContact O-N 3.22Å; L359-E362 WeakPolarHBondContact O-CB 3.42Å; L359-E362 PolarHBondContact O-N 3.28Å; E360-E362 VanDerWaalsContact C-N 3.32Å; E362-A364 PolarHBondContact O-N 3.36Å; E362-V365 WeakPolarHBondContact O-CA 3.17Å; E362-V365 WeakPolarHBondContact O-CB 3.5Å; E362-V365 PolarHBondContact O-N 2.98Å; E362-E366 HydrophobicContact CG-CG 4.28Å; E362-E366 WeakPolarHBondContact O-CG 3.48Å; E362-E366 PolarHBondContact O-N 3.21Å
363	K	98.9	Very high	98.7	Very high	97 Å²	97	27.5 Å²	27.5	42%	0.422	14%	0.142	S	C	.	.	H	α-helix	trans	-59.5	-34.7	177.6	-69.4	171.4	-174	171.1	0	112.6	A316 L359 E360 L361 K367	A316-K363 HydrophobicContact CB-CB 4.08Å; L359-K363 WeakPolarHBondContact O-CG 3.42Å; L359-K363 PolarHBondContact O-N 2.72Å; L359-K363 VanDerWaalsContact O-N 3.11Å; E360-K363 PolarHBondContact O-N 3.4Å; E360-K363 WeakPolarHBondContact OE1-CE 3.43Å; E360-K363 IonicContact OE1-NZ 2.64Å; E360-K363 PolarHBondContact OE1-NZ 2.7Å; L361-K363 PolarHBondContact O-N 2.93Å; K363-K367 WeakPolarHBondContact O-CB 3.25Å; K363-K367 PolarHBondContact O-N 2.97Å
364	A	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-38.9	175.2	0	0	0	0	0	112.2	F70 L315 A316 V337 E360 L361 E362 K367 A368	F70-A364 HydrophobicContact CE1-CB 4.23Å; L315-A364 HydrophobicContact CB-CB 4.39Å; L315-A364 HydrophobicContact CD2-CB 4.12Å; L315-A364 HydrophobicContact CG-CB 3.79Å; A316-A364 HydrophobicContact CB-CB 4.49Å; V337-A364 HydrophobicContact CG1-CB 4.47Å; E360-A364 PolarHBondContact O-N 3.09Å; E360-A364 VanDerWaalsContact O-N 3.12Å; L361-A364 WeakPolarHBondContact O-CB 3.32Å; L361-A364 PolarHBondContact O-N 3.4Å; L361-A364 VanDerWaalsContact O-N 3.13Å; E362-A364 PolarHBondContact O-N 3.36Å; A364-K367 PolarHBondContact O-N 2.82Å; A364-A368 PolarHBondContact O-N 2.74Å
365	V	98.9	Very high	98.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.7	-47.4	174.3	176.9	0	0	0	0	111.2	F70 V101 W102 W105 L361 E362 K367 A368 L369 V381	F70-V365 HydrophobicContact CB-CG2 4.24Å; F70-V365 HydrophobicContact CD1-CG2 3.63Å; F70-V365 HydrophobicContact CD2-CG2 3.86Å; F70-V365 HydrophobicContact CE1-CG2 3.87Å; F70-V365 HydrophobicContact CE2-CG2 4.07Å; F70-V365 HydrophobicContact CG-CG2 3.64Å; F70-V365 HydrophobicContact CZ-CG2 4.09Å; V101-V365 HydrophobicContact CG1-CB 3.98Å; V101-V365 HydrophobicContact CG1-CG1 3.63Å; W102-V365 HydrophobicContact CE3-CB 4.04Å; W102-V365 HydrophobicContact CE3-CG1 4.17Å; W102-V365 HydrophobicContact CE3-CG2 3.76Å; W102-V365 HydrophobicContact CZ3-CB 4.24Å; W102-V365 HydrophobicContact CZ3-CG2 3.78Å; W105-V365 HydrophobicContact CH2-CG1 3.89Å; W105-V365 HydrophobicContact CZ2-CG1 3.49Å; W105-V365 VanDerWaalsContact CZ2-CG1 3.49Å; L361-V365 WeakPolarHBondContact O-CG2 3.19Å; L361-V365 PolarHBondContact O-N 2.69Å; E362-V365 WeakPolarHBondContact O-CA 3.17Å; E362-V365 WeakPolarHBondContact O-CB 3.5Å; E362-V365 PolarHBondContact O-N 2.98Å; V365-K367 VanDerWaalsContact C-N 3.28Å; V365-K367 PolarHBondContact O-N 3.09Å; V365-A368 PolarHBondContact O-N 3.03Å; V365-L369 HydrophobicContact CG1-CD1 4.09Å; V365-L369 HydrophobicContact CG1-CG 4.44Å; V365-L369 WeakPolarHBondContact O-CG 3.36Å; V365-L369 PolarHBondContact O-N 2.88Å; V365-V381 HydrophobicContact CG1-CG2 4.27Å; V365-V381 HydrophobicContact CG2-CG2 3.7Å
366	E	98.7	Very high	98.4	Very high	88 Å²	88	41.1 Å²	41.1	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-56.4	-44.3	174.6	-71.3	-179.7	153.6	0	0	111.3	V101 E362 L369 S370	V101-E366 HydrophobicContact CB-CG 3.99Å; V101-E366 HydrophobicContact CG1-CG 4.01Å; V101-E366 HydrophobicContact CG2-CG 3.99Å; E362-E366 HydrophobicContact CG-CG 4.28Å; E362-E366 WeakPolarHBondContact O-CG 3.48Å; E362-E366 PolarHBondContact O-N 3.21Å; E366-L369 PolarHBondContact O-N 3.3Å; E366-S370 PolarHBondContact O-N 2.59Å
367	K	98.9	Very high	98.4	Very high	66 Å²	66	40.7 Å²	40.7	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-45.8	177.4	-179.7	56.5	63.1	153.1	0	111.7	A316 E320 K363 A364 V365 S370 L371	A316-K367 HydrophobicContact CB-CB 4.29Å; E320-K367 HydrophobicContact CB-CD 3.96Å; E320-K367 HydrophobicContact CB-CG 3.79Å; E320-K367 HydrophobicContact CG-CD 4.3Å; E320-K367 WeakPolarHBondContact OE2-CD 3.47Å; E320-K367 WeakPolarHBondContact OE2-CE 3.42Å; E320-K367 IonicContact OE2-NZ 2.9Å; E320-K367 PolarHBondContact OE2-NZ 2.93Å; K363-K367 WeakPolarHBondContact O-CB 3.25Å; K363-K367 PolarHBondContact O-N 2.97Å; A364-K367 PolarHBondContact O-N 2.82Å; V365-K367 VanDerWaalsContact C-N 3.28Å; V365-K367 PolarHBondContact O-N 3.09Å; K367-S370 PolarHBondContact O-N 2.88Å; K367-S370 PolarHBondContact O-OG 3.08Å; K367-L371 HydrophobicContact CD-CD1 3.92Å; K367-L371 HydrophobicContact CD-CG 4.38Å; K367-L371 HydrophobicContact CG-CD1 4.11Å; K367-L371 WeakPolarHBondContact O-CG 3.4Å; K367-L371 PolarHBondContact O-N 3.27Å
368	A	98.9	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-44.6	177	0	0	0	0	0	112.3	I68 F70 T319 I323 A364 V365 S370 L371 V372 L379	I68-A368 HydrophobicContact CD1-CB 4.17Å; F70-A368 HydrophobicContact CE2-CB 4.29Å; F70-A368 HydrophobicContact CZ-CB 3.57Å; T319-A368 HydrophobicContact CG2-CB 4.14Å; I323-A368 HydrophobicContact CD1-CB 3.62Å; A364-A368 PolarHBondContact O-N 2.74Å; V365-A368 PolarHBondContact O-N 3.03Å; A368-S370 PolarHBondContact O-N 3.18Å; A368-L371 PolarHBondContact O-N 2.84Å; A368-V372 WeakPolarHBondContact O-CG2 3.5Å; A368-V372 PolarHBondContact O-N 3.2Å; A368-V372 VanDerWaalsContact O-N 3.12Å; A368-L379 HydrophobicContact CB-CD2 4.43Å
369	L	98.5	Very high	98.4	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.147	20%	0.202	C	C	.	.	H	α-helix	trans	-56.1	-33.6	175.2	-73	169.1	0	0	0	112.5	V101 W105 V365 E366 L371 Q374 L379	V101-L369 HydrophobicContact CG2-CD1 3.76Å; W105-L369 HydrophobicContact CZ2-CD1 4.2Å; W105-L369 HydrophobicContact CZ2-CD2 4.25Å; W105-L369 HydrophobicContact CZ2-CG 4.48Å; V365-L369 HydrophobicContact CG1-CD1 4.09Å; V365-L369 HydrophobicContact CG1-CG 4.44Å; V365-L369 WeakPolarHBondContact O-CG 3.36Å; V365-L369 PolarHBondContact O-N 2.88Å; E366-L369 PolarHBondContact O-N 3.3Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.42Å; L369-Q374 HydrophobicContact CD2-CG 4.11Å; L369-L379 HydrophobicContact CD2-CD1 3.86Å; L369-L379 HydrophobicContact CD2-CD2 4.24Å
370	S	98.4	Very high	98.4	Very high	81 Å²	81	39.8 Å²	39.8	57%	0.566	20%	0.199	S	C	*	.	H	α-helix	trans	-75	-15	177.9	77.5	0	0	0	0	114.8	E366 K367 A368	E366-S370 PolarHBondContact O-N 2.59Å; K367-S370 PolarHBondContact O-N 2.88Å; K367-S370 PolarHBondContact O-OG 3.08Å; A368-S370 PolarHBondContact O-N 3.18Å
371	L	98.6	Very high	98.4	Very high	67 Å²	67	39.2 Å²	39.2	35%	0.351	20%	0.196	S	C	.	.	H	α-helix	trans	-112.4	-19.8	-171.9	-66.9	171.4	0	0	0	113.8	E320 I323 K367 A368 L369	E320-L371 HydrophobicContact CB-CD1 3.95Å; E320-L371 HydrophobicContact CG-CD1 3.82Å; I323-L371 HydrophobicContact CB-CD1 4.33Å; I323-L371 HydrophobicContact CD1-CB 4.49Å; I323-L371 HydrophobicContact CD1-CD1 4.29Å; I323-L371 HydrophobicContact CG2-CB 3.91Å; I323-L371 HydrophobicContact CG2-CD1 4.36Å; K367-L371 HydrophobicContact CD-CD1 3.92Å; K367-L371 HydrophobicContact CD-CG 4.38Å; K367-L371 HydrophobicContact CG-CD1 4.11Å; K367-L371 WeakPolarHBondContact O-CG 3.4Å; K367-L371 PolarHBondContact O-N 3.27Å; A368-L371 PolarHBondContact O-N 2.84Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.42Å
372	V	98.5	Very high	98.4	Very high	19 Å²	19	39.2 Å²	39.2	12%	0.115	20%	0.196	C	C	.	.	S	Bend	trans	-110	149.7	-175.4	-53.8	0	0	0	0	112.1	I68 I323 F333 A368 Q374 T377 L379	I68-V372 HydrophobicContact CD1-CG1 3.98Å; I323-V372 HydrophobicContact CD1-CG1 4.23Å; I323-V372 HydrophobicContact CG2-CG1 4.04Å; F333-V372 HydrophobicContact CZ-CG1 4.17Å; A368-V372 WeakPolarHBondContact O-CG2 3.5Å; A368-V372 PolarHBondContact O-N 3.2Å; A368-V372 VanDerWaalsContact O-N 3.12Å; V372-Q374 PolarHBondContact O-N 3.12Å; V372-T377 HydrophobicContact CB-CG2 4.23Å; V372-T377 HydrophobicContact CG2-CG2 3.93Å; V372-L379 HydrophobicContact CG2-CD1 4.45Å; V372-L379 HydrophobicContact CG2-CD2 4.39Å
373	D	97.8	Very high	98.4	Very high	79 Å²	79	38.9 Å²	38.9	42%	0.422	20%	0.195	S	C	.	.			trans	-74.7	114	164.8	-172.7	-7.8	0	0	0	109.3	Q375 E376 T377	D373-Q375 PolarHBondContact O-N 3.33Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.13Å; D373-Q375 PolarHBondContact OD1-N 3.46Å; D373-E376 HydrophobicContact CB-CB 4.4Å; D373-E376 CarbonylContact O-C 3.59Å; D373-E376 PolarHBondContact O-N 3.21Å; D373-T377 VanDerWaalsContact O-CB 3.26Å; D373-T377 WeakPolarHBondContact O-CB 3.47Å; D373-T377 PolarHBondContact O-N 3.02Å; D373-T377 PolarHBondContact O-OG1 3.37Å
374	Q	96.4	Very high	98.4	Very high	82 Å²	82	34.3 Å²	34.3	38%	0.383	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.6	178.6	-65.9	178.9	55.4	0	0	112.6	L369 V372 E376 L379 N469 G470 P471	L369-Q374 HydrophobicContact CD2-CG 4.11Å; V372-Q374 PolarHBondContact O-N 3.12Å; Q374-E376 VanDerWaalsContact C-N 3.28Å; Q374-L379 HydrophobicContact CG-CD1 4.29Å; Q374-N469 PolarHBondContact OE1-ND2 2.85Å; Q374-G470 VanDerWaalsContact O-CA 3.31Å; Q374-G470 WeakPolarHBondContact O-CA 3.32Å; Q374-P471 WeakPolarHBondContact O-CD 3.27Å
375	Q	95.8	Very high	98.4	Very high	154 Å²	154	34.3 Å²	34.3	72%	0.72	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.8	173.1	-66.4	176.4	83	0	0	112.8	D373 P471	D373-Q375 PolarHBondContact O-N 3.33Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.13Å; D373-Q375 PolarHBondContact OD1-N 3.46Å; Q375-P471 WeakPolarHBondContact O-CG 3.49Å
376	E	97.3	Very high	98.3	Very high	54 Å²	54	34.3 Å²	34.3	25%	0.252	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-0.4	179.2	-60.4	-152.6	132.9	0	0	113.4	K62 K65 N66 D373 Q374	K62-E376 IonicContact NZ-OE1 2.65Å; K62-E376 PolarHBondContact NZ-OE1 3.31Å; K65-E376 HydrophobicContact CB-CB 4.18Å; K65-E376 PolarHBondContact N-O 3.4Å; N66-E376 PolarHBondContact N-O 2.83Å; D373-E376 HydrophobicContact CB-CB 4.4Å; D373-E376 CarbonylContact O-C 3.59Å; D373-E376 PolarHBondContact O-N 3.21Å; Q374-E376 VanDerWaalsContact C-N 3.28Å
377	T	98.6	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.1	-172	-52.1	0	0	0	0	111.1	N66 I68 V372 D373 L379	N66-T377 HydrophobicContact CB-CG2 3.9Å; N66-T377 PolarHBondContact ND2-OG1 2.62Å; N66-T377 VanDerWaalsContact ND2-OG1 3.14Å; N66-T377 WeakPolarHBondContact O-CA 3.33Å; I68-T377 HydrophobicContact CD1-CG2 4.25Å; I68-T377 HydrophobicContact CG1-CG2 4.07Å; V372-T377 HydrophobicContact CB-CG2 4.23Å; V372-T377 HydrophobicContact CG2-CG2 3.93Å; D373-T377 VanDerWaalsContact O-CB 3.26Å; D373-T377 WeakPolarHBondContact O-CB 3.47Å; D373-T377 PolarHBondContact O-N 3.02Å; D373-T377 PolarHBondContact O-OG1 3.37Å; T377-L379 HydrophobicContact CG2-CD1 4.44Å; T377-L379 HydrophobicContact CG2-CG 4.14Å
378	L	98.7	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.3	168.7	172.9	60.6	0	0	0	108.9	P64 N66 V67 I68 L380 F476	P64-L378 HydrophobicContact CB-CB 4.03Å; P64-L378 HydrophobicContact CG-CB 4.2Å; N66-L378 PolarHBondContact O-N 3.01Å; V67-L378 CarbonylContact C-O 3.6Å; V67-L378 VanDerWaalsContact CA-O 3.3Å; V67-L378 WeakPolarHBondContact CA-O 3.39Å; V67-L378 HydrophobicContact CG2-CB 4.16Å; V67-L378 HydrophobicContact CG2-CD2 4.28Å; I68-L378 PolarHBondContact N-O 2.84Å; L378-L380 HydrophobicContact CD1-CD2 3.95Å; L378-L380 HydrophobicContact CD1-CG 4.41Å; L378-L380 HydrophobicContact CG-CD2 4.27Å; L378-L380 HydrophobicContact CG-CG 4.22Å; L378-F476 HydrophobicContact CD1-CE2 4.42Å; L378-F476 HydrophobicContact CD2-CE2 4.15Å
379	L	98.9	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132	175.6	-60.1	118.4	0	0	0	109.4	I68 F70 W105 A368 L369 V372 Q374 T377 A468 N469	I68-L379 HydrophobicContact CB-CD2 4.48Å; I68-L379 HydrophobicContact CD1-CD2 4.36Å; F70-L379 HydrophobicContact CE2-CD2 4.16Å; W105-L379 HydrophobicContact CH2-CB 3.58Å; W105-L379 HydrophobicContact CZ2-CB 4.25Å; W105-L379 HydrophobicContact CZ3-CB 4Å; A368-L379 HydrophobicContact CB-CD2 4.43Å; L369-L379 HydrophobicContact CD2-CD1 3.86Å; L369-L379 HydrophobicContact CD2-CD2 4.24Å; V372-L379 HydrophobicContact CG2-CD1 4.45Å; V372-L379 HydrophobicContact CG2-CD2 4.39Å; Q374-L379 HydrophobicContact CG-CD1 4.29Å; T377-L379 HydrophobicContact CG2-CD1 4.44Å; T377-L379 HydrophobicContact CG2-CG 4.14Å; L379-A468 WeakPolarHBondContact O-CA 3.13Å; L379-N469 PolarHBondContact N-O 3.27Å; L379-N469 PolarHBondContact O-N 3.31Å
380	L	98.9	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.5	178.4	-59.4	175.5	0	0	0	109.5	I68 L69 F70 L378 Y467 A468 F476 I485	I68-L380 PolarHBondContact O-N 3.18Å; L69-L380 HydrophobicContact CD1-CB 3.7Å; L69-L380 HydrophobicContact CD1-CD1 4.23Å; F70-L380 WeakPolarHBondContact CB-O 3.45Å; F70-L380 WeakPolarHBondContact CD2-O 3.38Å; F70-L380 PolarHBondContact N-O 3.39Å; L378-L380 HydrophobicContact CD1-CD2 3.95Å; L378-L380 HydrophobicContact CD1-CG 4.41Å; L378-L380 HydrophobicContact CG-CD2 4.27Å; L378-L380 HydrophobicContact CG-CG 4.22Å; L380-Y467 WeakPolarHBondContact CA-O 3.42Å; L380-A468 HydrophobicContact CD2-CB 3.52Å; L380-F476 HydrophobicContact CD1-CE1 4.07Å; L380-F476 HydrophobicContact CD1-CE2 4.09Å; L380-F476 HydrophobicContact CD1-CZ 3.57Å; L380-F476 HydrophobicContact CD2-CD1 4.31Å; L380-F476 HydrophobicContact CD2-CD2 3.67Å; L380-F476 HydrophobicContact CD2-CE1 4.14Å; L380-F476 HydrophobicContact CD2-CE2 3.5Å; L380-F476 VanDerWaalsContact CD2-CE2 3.5Å; L380-F476 HydrophobicContact CD2-CG 4.09Å; L380-F476 HydrophobicContact CD2-CZ 3.73Å; L380-F476 HydrophobicContact CG-CE2 4.42Å; L380-F476 HydrophobicContact CG-CZ 4.32Å; L380-I485 HydrophobicContact CD1-CG2 4.28Å
381	V	98.9	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.9	169.9	178.6	0	0	0	0	108	F70 M75 W102 W105 V365 I466 Y467	F70-V381 HydrophobicContact CB-CB 4.4Å; F70-V381 HydrophobicContact CB-CG1 4.49Å; F70-V381 HydrophobicContact CB-CG2 3.92Å; F70-V381 HydrophobicContact CD2-CG2 4.07Å; F70-V381 HydrophobicContact CG-CG2 4.25Å; M75-V381 HydrophobicContact CE-CG1 4.09Å; W102-V381 HydrophobicContact CB-CB 4.27Å; W102-V381 HydrophobicContact CB-CG2 4.03Å; W102-V381 HydrophobicContact CD2-CB 4.29Å; W102-V381 HydrophobicContact CD2-CG1 3.75Å; W102-V381 HydrophobicContact CD2-CG2 4.22Å; W102-V381 HydrophobicContact CE3-CB 4.48Å; W102-V381 HydrophobicContact CE3-CG1 3.93Å; W102-V381 HydrophobicContact CE3-CG2 4Å; W102-V381 HydrophobicContact CG-CB 4.19Å; W102-V381 HydrophobicContact CG-CG1 4.05Å; W102-V381 HydrophobicContact CG-CG2 4.25Å; W102-V381 HydrophobicContact CH2-CG1 4.48Å; W102-V381 HydrophobicContact CZ2-CG1 4.34Å; W102-V381 HydrophobicContact CZ3-CG1 4.24Å; W105-V381 HydrophobicContact CH2-CG2 3.51Å; W105-V381 HydrophobicContact CZ2-CG2 4.42Å; W105-V381 HydrophobicContact CZ3-CB 4.27Å; W105-V381 HydrophobicContact CZ3-CG2 3.67Å; V365-V381 HydrophobicContact CG1-CG2 4.27Å; V365-V381 HydrophobicContact CG2-CG2 3.7Å; V381-I466 CarbonylContact O-C 3.53Å; V381-I466 WeakPolarHBondContact O-CA 3.27Å; V381-Y467 HydrophobicContact CB-CD2 4.42Å; V381-Y467 HydrophobicContact CG1-CD2 4.5Å; V381-Y467 PolarHBondContact N-O 2.96Å; V381-Y467 PolarHBondContact O-N 3.21Å
382	T	98.8	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	178.9	178	-172.9	0	0	0	0	110.3	L69 F70 I71 G72 P465 I485	L69-T382 HydrophobicContact CD1-CG2 4.03Å; F70-T382 PolarHBondContact O-N 3.34Å; I71-T382 WeakPolarHBondContact CA-O 3.28Å; I71-T382 HydrophobicContact CD1-CG2 3.5Å; I71-T382 VanDerWaalsContact CD1-CG2 3.5Å; G72-T382 PolarHBondContact N-O 2.89Å; T382-P465 VanDerWaalsContact CA-O 3.31Å; T382-P465 WeakPolarHBondContact CA-O 3.22Å; T382-P465 PolarHBondContact OG1-O 3.07Å; T382-P465 VanDerWaalsContact OG1-O 3.12Å; T382-I485 HydrophobicContact CG2-CD1 4.12Å
383	A	98.8	Very high	98	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.017	13%	0.131	C	C	.	.			trans	-110	169	163.5	0	0	0	0	0	111.1	G72 M75 V464	G72-A383 WeakPolarHBondContact O-CA 3.23Å; G72-A383 WeakPolarHBondContact O-CB 3.45Å; M75-A383 HydrophobicContact CB-CB 3.96Å; M75-A383 VanDerWaalsContact O-CB 3.3Å; M75-A383 WeakPolarHBondContact O-CB 3.42Å; A383-V464 HydrophobicContact CB-CB 3.85Å; A383-V464 HydrophobicContact CB-CG1 3.91Å; A383-V464 HydrophobicContact CB-CG2 4.16Å; A383-V464 WeakPolarHBondContact O-CG2 3.41Å
384	D	98.5	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-89.5	-34.7	172.6	69.4	-31.8	0	0	0	111.9	I71 D73 G74 T113 S123 A126 F130	I71-D384 HydrophobicContact CG2-CB 4.11Å; D73-D384 VanDerWaalsContact CA-OD1 3.29Å; D73-D384 WeakPolarHBondContact CA-OD1 3.33Å; G74-D384 PolarHBondContact N-OD1 2.88Å; T113-D384 VanDerWaalsContact CB-O 3.28Å; T113-D384 WeakPolarHBondContact CB-O 3.17Å; T113-D384 WeakPolarHBondContact CG2-O 3.41Å; S123-D384 VanDerWaalsContact CA-OD2 3.25Å; S123-D384 WeakPolarHBondContact CA-OD2 3.2Å; S123-D384 WeakPolarHBondContact CB-OD2 3.37Å; A126-D384 HydrophobicContact CB-CB 3.75Å; A126-D384 VanDerWaalsContact CB-O 3.31Å; A126-D384 WeakPolarHBondContact CB-O 3.23Å; F130-D384 HydrophobicContact CD1-CB 4.33Å; F130-D384 HydrophobicContact CE1-CB 3.59Å
385	H	98.7	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.			trans	-156.1	171.8	170.6	57.3	75.1	0	0	0	112.1	D73 G74 T121 S123 D343 H459	D73-H385 IonicContact OD1-CE1 3.35Å; D73-H385 IonicContact OD1-NE2 3.94Å; D73-H385 PolarHBondContact OD1-NE2 2.89Å; G74-H385 CarbonylContact C-O 3.59Å; G74-H385 WeakPolarHBondContact CA-O 3.49Å; T121-H385 HydrophobicContact CG2-CB 3.68Å; S123-H385 PolarHBondContact OG-NE2 2.98Å; D343-H385 IonicContact OD1-CE1 3.14Å; D343-H385 PolarHBondContact OD1-CE1 3.35Å; H385-H459 AromaticContact CD2-CE1 3.71Å; H385-H459 AromaticContact CD2-ND1 3.5Å; H385-H459 AromaticContact CE1-CD2 3.26Å; H385-H459 PolarHBondContact CE1-CD2 3.4Å; H385-H459 AromaticContact CE1-CE1 3.31Å; H385-H459 PolarHBondContact CE1-CE1 3.04Å; H385-H459 AromaticContact CE1-CG 3.32Å; H385-H459 AromaticContact CE1-ND1 3.35Å; H385-H459 PolarHBondContact CE1-ND1 3.34Å; H385-H459 AromaticContact CE1-NE2 3.35Å; H385-H459 PolarHBondContact CE1-NE2 2.85Å; H385-H459 VanDerWaalsContact CE1-NE2 3.35Å; H385-H459 AromaticContact CG-CG 3.91Å; H385-H459 AromaticContact CG-ND1 3.69Å; H385-H459 AromaticContact ND1-CD2 3.74Å; H385-H459 AromaticContact ND1-CG 3.39Å; H385-H459 AromaticContact ND1-ND1 3.59Å; H385-H459 AromaticContact NE2-CD2 3.81Å; H385-H459 AromaticContact NE2-CE1 3.01Å; H385-H459 PolarHBondContact NE2-CE1 3.28Å; H385-H459 AromaticContact NE2-CG 3.72Å; H385-H459 AromaticContact NE2-ND1 3.23Å; H385-H459 PolarHBondContact NE2-ND1 3.45Å; H385-H459 AromaticContact NE2-NE2 3.47Å; H385-H459 PolarHBondContact NE2-NE2 2.68Å
386	S	98.4	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	178.4	171.3	-180	0	0	0	0	111	S76 H459 S460 E462	S76-S386 WeakPolarHBondContact CB-OG 3.26Å; S386-H459 WeakPolarHBondContact O-CA 3.44Å; S386-H459 WeakPolarHBondContact O-CB 3.36Å; S386-S460 PolarHBondContact O-N 3.25Å; S386-E462 VanDerWaalsContact OG-CD 3.24Å; S386-E462 WeakPolarHBondContact OG-CG 3.39Å; S386-E462 PolarHBondContact OG-OE1 3Å
387	H	98.4	Very high	98.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.9	-179.7	-142.7	-69	0	0	0	111.7	D343 N346 H347 Y389 S457 T458 S460	D343-H387 IonicContact OD1-CD2 2.73Å; D343-H387 PolarHBondContact OD1-CD2 3.18Å; D343-H387 VanDerWaalsContact OD1-CD2 3.26Å; D343-H387 IonicContact OD1-NE2 2.83Å; D343-H387 PolarHBondContact OD1-NE2 3.01Å; N346-H387 HydrophobicContact CB-CB 4.02Å; N346-H387 VanDerWaalsContact CB-CD2 3.41Å; N346-H387 WeakPolarHBondContact CB-CD2 3.37Å; H347-H387 AromaticContact CE1-NE2 3.82Å; H347-H387 AromaticContact CG-NE2 3.7Å; H347-H387 PolarHBondContact N-NE2 3.15Å; H347-H387 AromaticContact ND1-CE1 3.87Å; H347-H387 AromaticContact ND1-NE2 3.4Å; H347-H387 PolarHBondContact ND1-NE2 2.79Å; H387-Y389 PolarHBondContact O-N 2.9Å; H387-S457 PolarHBondContact CE1-OG 3.19Å; H387-T458 PolarHBondContact CE1-O 3.03Å; H387-T458 VanDerWaalsContact CE1-O 3.31Å; H387-T458 PolarHBondContact ND1-O 2.82Å; H387-S460 WeakPolarHBondContact O-CB 3Å
388	A	97.9	Very high	98	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	16%	0.163	C	C	.	.	S	Bend	trans	-76.8	45.6	-179.9	0	0	0	0	0	113	F421 F422 T458	A388-F421 CarbonylContact O-C 3.59Å; A388-F421 VanDerWaalsContact O-CA 3.27Å; A388-F421 WeakPolarHBondContact O-CA 3.38Å; A388-F422 HydrophobicContact CB-CB 4.31Å; A388-F422 HydrophobicContact CB-CD2 4.24Å; A388-F422 PolarHBondContact O-N 2.73Å; A388-T458 WeakPolarHBondContact CB-O 3.43Å; A388-T458 PolarHBondContact N-O 3.2Å; A388-T458 VanDerWaalsContact N-O 3.17Å
389	Y	98.3	Very high	97.9	Very high	2 Å²	2	32 Å²	32	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.2	-176.1	169.2	-111	0	0	0	111.2	N78 A351 L355 H387 V391 S419 S420 F421	N78-Y389 HydrophobicContact CB-CD1 3.8Å; N78-Y389 HydrophobicContact CB-CE1 4.04Å; N78-Y389 WeakPolarHBondContact CB-O 3.42Å; N78-Y389 PolarHBondContact ND2-O 2.94Å; N78-Y389 WeakPolarHBondContact O-CE1 3.17Å; A351-Y389 HydrophobicContact CB-CE2 4.21Å; L355-Y389 HydrophobicContact CD2-CE1 4.19Å; H387-Y389 PolarHBondContact O-N 2.9Å; Y389-V391 HydrophobicContact CE1-CG2 4.15Å; Y389-V391 WeakPolarHBondContact OH-CG2 3.42Å; Y389-S419 PolarHBondContact OH-OG 3.22Å; Y389-S420 WeakPolarHBondContact CA-O 3.21Å; Y389-F421 HydrophobicContact CD2-CD1 4.32Å; Y389-F421 HydrophobicContact CD2-CD2 4.32Å; Y389-F421 AromaticContact CD2-CE1 3.83Å; Y389-F421 HydrophobicContact CD2-CE1 3.83Å; Y389-F421 AromaticContact CD2-CE2 3.84Å; Y389-F421 HydrophobicContact CD2-CE2 3.84Å; Y389-F421 AromaticContact CD2-CZ 3.56Å; Y389-F421 HydrophobicContact CD2-CZ 3.56Å; Y389-F421 HydrophobicContact CE2-CE2 4.32Å; Y389-F421 HydrophobicContact CE2-CZ 4.27Å; Y389-F421 HydrophobicContact CG-CE1 4.15Å; Y389-F421 HydrophobicContact CG-CZ 4.25Å
390	G	98.2	Very high	97.8	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.9	176.3	0	0	0	0	0	113.2	S420	G390-S420 PolarHBondContact N-O 2.73Å; G390-S420 PolarHBondContact O-N 3.27Å
391	V	97.9	Very high	97.8	Very high	32 Å²	32	32.8 Å²	32.8	19%	0.194	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	110.5	163.4	-179	0	0	0	0	107.5	N78 T81 Y85 Y389 V401 I418	N78-V391 PolarHBondContact OD1-N 3.39Å; T81-V391 HydrophobicContact CG2-CB 4.44Å; T81-V391 HydrophobicContact CG2-CG2 4.32Å; Y85-V391 HydrophobicContact CD2-CG1 4.09Å; Y85-V391 HydrophobicContact CE2-CG1 3.87Å; Y389-V391 HydrophobicContact CE1-CG2 4.15Å; Y389-V391 WeakPolarHBondContact OH-CG2 3.42Å; V391-V401 HydrophobicContact CG1-CG2 4.01Å; V391-V401 HydrophobicContact CG2-CG2 4.16Å; V391-I418 CarbonylContact C-O 3.55Å; V391-I418 WeakPolarHBondContact CA-O 3.27Å; V391-I418 HydrophobicContact CG1-CG2 3.81Å
392	V	97	Very high	97.7	Very high	54 Å²	54	33.3 Å²	33.3	33%	0.327	18%	0.18	S	C	.	.			trans	-125.6	170.5	-165.9	-57.6	0	0	0	0	113.1	I418	V392-I418 PolarHBondContact N-O 2.77Å
393	G	96.6	Very high	97.7	Very high	33 Å²	33	34.4 Å²	34.4	34%	0.34	19%	0.186	S	C	.	.	S	Bend	trans	90.2	-165.3	178.4	0	0	0	0	0	113.9	D405	G393-D405 VanDerWaalsContact CA-OD2 3.31Å; G393-D405 WeakPolarHBondContact CA-OD2 3.38Å
394	H	97	Very high	97.6	Very high	157 Å²	157	34.5 Å²	34.5	73%	0.727	19%	0.186	S	C	*	.			trans	-123.8	39.2	174.1	-59.3	-63.8	0	0	0	112.8	D405 T407	H394-D405 PolarHBondContact N-OD2 3.04Å; H394-T407 WeakPolarHBondContact O-CG2 3.39Å; H394-T407 PolarHBondContact O-OG1 3.14Å
395	P	97.4	Very high	97.6	Very high	40 Å²	40	34.7 Å²	34.7	26%	0.26	19%	0.187	S	C	.	.			trans	-59.2	151.3	-176	29.2	-38.3	0	0	0	112.2	I399 D405 I418	P395-I399 HydrophobicContact CB-CG2 3.73Å; P395-D405 WeakPolarHBondContact CD-OD2 3.47Å; P395-I418 HydrophobicContact CB-CD1 3.46Å; P395-I418 VanDerWaalsContact CB-CD1 3.46Å; P395-I418 HydrophobicContact CB-CG1 3.86Å; P395-I418 HydrophobicContact CG-CD1 3.78Å; P395-I418 HydrophobicContact CG-CG1 3.83Å; P395-I418 HydrophobicContact CG-CG2 4.09Å
396	T	97.8	Very high	97.6	Very high	52 Å²	52	38.7 Å²	38.7	32%	0.319	21%	0.209	S	C	.	.			trans	-67.4	149.1	173.2	55.7	0	0	0	0	111.5	N398 I399 N406 T407	T396-N398 VanDerWaalsContact CB-OD1 3.28Å; T396-N398 WeakPolarHBondContact CB-OD1 3.37Å; T396-N398 PolarHBondContact O-N 3.46Å; T396-N398 PolarHBondContact OG1-OD1 3.35Å; T396-I399 VanDerWaalsContact O-CG2 3.23Å; T396-I399 WeakPolarHBondContact O-CG2 3.49Å; T396-I399 PolarHBondContact O-N 3.18Å; T396-N406 PolarHBondContact N-OD1 2.97Å; T396-N406 VanDerWaalsContact N-OD1 3.11Å; T396-N406 PolarHBondContact OG1-ND2 3.17Å; T396-N406 PolarHBondContact OG1-OD1 3.41Å; T396-T407 HydrophobicContact CG2-CG2 3.88Å
397	R	96.7	Very high	97.6	Very high	128 Å²	128	42.2 Å²	42.2	48%	0.483	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.2	-175.7	-62.3	-179.7	63.3	-150.9	-4.3	115.9	L94 G95 D97	L94-R397 HydrophobicContact CB-CB 4.32Å; G95-R397 PolarHBondContact N-O 3.44Å; G95-R397 VanDerWaalsContact O-CZ 3.31Å; G95-R397 PolarHBondContact O-NE 3.26Å; G95-R397 PolarHBondContact O-NH2 3.44Å; D97-R397 IonicContact OD1-CZ 3.37Å; D97-R397 IonicContact OD1-NH1 2.89Å; D97-R397 IonicContact OD1-NH2 2.85Å; D97-R397 PolarHBondContact OD1-NH2 3.16Å; D97-R397 IonicContact OD2-NH2 2.69Å
398	N	95.8	Very high	97.5	Very high	123 Å²	123	44 Å²	44	66%	0.658	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	8.3	-177.5	66.5	-40.5	0	0	0	113.9	L94 T396	L94-N398 HydrophobicContact CD2-CB 3.68Å; T396-N398 VanDerWaalsContact CB-OD1 3.28Å; T396-N398 WeakPolarHBondContact CB-OD1 3.37Å; T396-N398 PolarHBondContact O-N 3.46Å; T396-N398 PolarHBondContact OG1-OD1 3.35Å
399	I	96.8	Very high	97.4	Very high	39 Å²	39	48.8 Å²	48.8	20%	0.2	27%	0.266	C	S	.	.	S	Bend	trans	-100	152.2	177.4	-158.2	165.8	0	0	0	111.1	P395 T396 D403 V404 N406 I418	P395-I399 HydrophobicContact CB-CG2 3.73Å; T396-I399 VanDerWaalsContact O-CG2 3.23Å; T396-I399 WeakPolarHBondContact O-CG2 3.49Å; T396-I399 PolarHBondContact O-N 3.18Å; I399-D403 HydrophobicContact CD1-CB 3.94Å; I399-D403 HydrophobicContact CG1-CB 3.74Å; I399-V404 WeakPolarHBondContact CD1-O 3.17Å; I399-N406 HydrophobicContact CD1-CB 3.64Å; I399-I418 HydrophobicContact CG2-CD1 3.56Å
400	S	97.4	Very high	97.3	Very high	12 Å²	12	49.8 Å²	49.8	8%	0.084	28%	0.277	C	S	.	.			trans	-64.6	141	173.6	179.3	0	0	0	0	110.8	E89 L402 D403 I418	E89-S400 WeakPolarHBondContact OE2-CA 3.35Å; E89-S400 WeakPolarHBondContact OE2-CB 3.37Å; E89-S400 PolarHBondContact OE2-OG 2.97Å; S400-L402 PolarHBondContact O-N 3.27Å; S400-L402 PolarHBondContact OG-N 3.11Å; S400-D403 WeakPolarHBondContact O-CB 3.16Å; S400-D403 PolarHBondContact O-N 3.13Å; S400-I418 WeakPolarHBondContact O-CD1 3.25Å
401	V	97.9	Very high	97.3	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.024	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14	173.2	72.4	0	0	0	0	113.2	Y85 L86 L355 V391 I418 S419	Y85-V401 HydrophobicContact CD2-CB 4.38Å; Y85-V401 HydrophobicContact CD2-CG2 3.91Å; L86-V401 HydrophobicContact CB-CG1 4.16Å; L355-V401 HydrophobicContact CD1-CG1 3.7Å; V391-V401 HydrophobicContact CG1-CG2 4.01Å; V391-V401 HydrophobicContact CG2-CG2 4.16Å; V401-I418 HydrophobicContact CG2-CG2 3.89Å; V401-S419 WeakPolarHBondContact O-CB 3.48Å; V401-S419 PolarHBondContact O-N 2.88Å; V401-S419 PolarHBondContact O-OG 3.21Å
402	L	98	Very high	97.2	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.058	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.7	175.2	-58.4	175.9	0	0	0	112.5	L86 A351 Q352 L355 S400 F442	L86-L402 HydrophobicContact CD1-CD1 4.1Å; A351-L402 HydrophobicContact CB-CD2 3.93Å; Q352-L402 HydrophobicContact CB-CD1 3.86Å; Q352-L402 HydrophobicContact CB-CD2 4.13Å; Q352-L402 HydrophobicContact CG-CD1 3.66Å; L355-L402 HydrophobicContact CD1-CD2 4.11Å; S400-L402 PolarHBondContact O-N 3.27Å; S400-L402 PolarHBondContact OG-N 3.11Å; L402-F442 HydrophobicContact CB-CD1 4.4Å; L402-F442 HydrophobicContact CB-CE1 4.33Å
403	D	97.9	Very high	97.2	Very high	24 Å²	24	63.6 Å²	63.6	13%	0.128	35%	0.347	C	S	.	.	S	Bend	trans	-84.2	-178.6	-179.9	-146.8	-26.4	0	0	0	111.7	I399 S400 I418 R441 F442	I399-D403 HydrophobicContact CD1-CB 3.94Å; I399-D403 HydrophobicContact CG1-CB 3.74Å; S400-D403 WeakPolarHBondContact O-CB 3.16Å; S400-D403 PolarHBondContact O-N 3.13Å; D403-I418 HydrophobicContact CB-CD1 4.48Å; D403-I418 PolarHBondContact O-N 3.44Å; D403-R441 IonicContact OD1-CZ 3.97Å; D403-R441 IonicContact OD1-NE 3.88Å; D403-R441 PolarHBondContact OD1-NE 3.2Å; D403-R441 IonicContact OD1-NH2 3.56Å; D403-R441 PolarHBondContact OD1-NH2 3.44Å; D403-R441 IonicContact OD2-NH2 2.85Å; D403-F442 HydrophobicContact CB-CZ 4.09Å
404	V	98.3	Very high	97.2	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.024	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-85.1	159	167.7	-52.3	0	0	0	0	111.3	I399 N406 Y416 L417 P436 E437	I399-V404 WeakPolarHBondContact CD1-O 3.17Å; V404-N406 PolarHBondContact O-N 2.9Å; V404-Y416 CarbonylContact C-O 3.23Å; V404-Y416 WeakPolarHBondContact CA-O 3.41Å; V404-Y416 WeakPolarHBondContact CB-O 3.3Å; V404-L417 HydrophobicContact CG1-CD2 4.25Å; V404-P436 HydrophobicContact CG1-CB 3.93Å; V404-P436 HydrophobicContact CG1-CG 3.77Å; V404-E437 WeakPolarHBondContact CG2-OE2 3.48Å
405	D	98.1	Very high	97.3	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	31%	0.308	C	S	.	.			trans	-63.1	120.7	170	-167.9	-44.4	0	0	0	110.5	G393 H394 P395 T407 A408 Y416	G393-D405 VanDerWaalsContact CA-OD2 3.31Å; G393-D405 WeakPolarHBondContact CA-OD2 3.38Å; H394-D405 PolarHBondContact N-OD2 3.04Å; P395-D405 WeakPolarHBondContact CD-OD2 3.47Å; D405-T407 WeakPolarHBondContact OD1-CA 3.29Å; D405-T407 WeakPolarHBondContact OD1-CB 3.03Å; D405-T407 PolarHBondContact OD1-N 3.47Å; D405-T407 PolarHBondContact OD1-OG1 2.92Å; D405-A408 PolarHBondContact OD1-N 2.86Å; D405-Y416 HydrophobicContact CB-CD2 4.12Å; D405-Y416 HydrophobicContact CB-CE1 4.19Å; D405-Y416 HydrophobicContact CB-CE2 3.55Å; D405-Y416 PolarHBondContact N-O 3.35Å; D405-Y416 PolarHBondContact OD2-OH 2.93Å; D405-Y416 VanDerWaalsContact OD2-OH 3.04Å
406	N	97.6	Very high	97.3	Very high	83 Å²	83	58.2 Å²	58.2	44%	0.444	31%	0.307	S	S	.	.	S	Bend	trans	-90.8	3	-178.7	68.2	-28.2	0	0	0	114.4	T396 I399 V404	T396-N406 PolarHBondContact N-OD1 2.97Å; T396-N406 VanDerWaalsContact N-OD1 3.11Å; T396-N406 PolarHBondContact OG1-ND2 3.17Å; T396-N406 PolarHBondContact OG1-OD1 3.41Å; I399-N406 HydrophobicContact CD1-CB 3.64Å; V404-N406 PolarHBondContact O-N 2.9Å
407	T	98	Very high	97.3	Very high	74 Å²	74	56.4 Å²	56.4	45%	0.454	30%	0.295	S	S	.	.	S	Bend	trans	-106.3	-24.9	-177.6	71.4	0	0	0	0	112.8	H394 T396 D405	H394-T407 WeakPolarHBondContact O-CG2 3.39Å; H394-T407 PolarHBondContact O-OG1 3.14Å; T396-T407 HydrophobicContact CG2-CG2 3.88Å; D405-T407 WeakPolarHBondContact OD1-CA 3.29Å; D405-T407 WeakPolarHBondContact OD1-CB 3.03Å; D405-T407 PolarHBondContact OD1-N 3.47Å; D405-T407 PolarHBondContact OD1-OG1 2.92Å
408	A	96.3	Very high	97.3	Very high	41 Å²	41	50.4 Å²	50.4	34%	0.339	27%	0.273	S	S	.	.			trans	-149.4	156	-177.1	0	0	0	0	0	112.2	D405 Y416	D405-A408 PolarHBondContact OD1-N 2.86Å; A408-Y416 HydrophobicContact CB-CE1 4.46Å; A408-Y416 WeakPolarHBondContact O-CE1 3.35Å
409	K	97.5	Very high	97.5	Very high	105 Å²	105	44.8 Å²	44.8	46%	0.457	24%	0.243	S	C	.	.			trans	-115.2	164.6	169.2	-69.5	-171.1	169.4	-161.4	0	109.8	N413	K409-N413 WeakPolarHBondContact CD-O 3.41Å
410	G	96	Very high	97.5	Very high	23 Å²	23	44.6 Å²	44.6	24%	0.237	25%	0.246	C	C	.	.			trans	-67.6	165	167.4	0	0	0	0	0	111.9	D412 N413 K414	G410-D412 PolarHBondContact O-N 3.31Å; G410-D412 VanDerWaalsContact O-N 3.09Å; G410-N413 WeakPolarHBondContact O-CA 3.31Å; G410-N413 PolarHBondContact O-N 3.3Å; G410-K414 PolarHBondContact N-O 3.35Å
411	D	96.6	Very high	97.5	Very high	187 Å²	187	44.4 Å²	44.4	100%	1	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.9	179.2	-68.5	-22.8	0	0	0	113.6	N413	D411-N413 PolarHBondContact O-N 3.01Å
412	D	95.8	Very high	97.5	Very high	72 Å²	72	50.3 Å²	50.3	39%	0.385	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	9	172	65.4	-14	0	0	0	113.6	G410 K414 R433	G410-D412 PolarHBondContact O-N 3.31Å; G410-D412 VanDerWaalsContact O-N 3.09Å; D412-K414 PolarHBondContact O-N 3.31Å; D412-K414 PolarHBondContact OD1-N 3.23Å; D412-R433 IonicContact OD1-CZ 3.72Å; D412-R433 IonicContact OD1-NE 3.86Å; D412-R433 IonicContact OD1-NH2 3.26Å; D412-R433 PolarHBondContact OD1-NH2 2.85Å; D412-R433 IonicContact OD2-CZ 3.78Å; D412-R433 IonicContact OD2-NE 2.77Å; D412-R433 PolarHBondContact OD2-NE 2.71Å; D412-R433 IonicContact OD2-NH2 3.44Å; D412-R433 PolarHBondContact OD2-NH2 3.17Å
413	N	97.4	Very high	97.5	Very high	120 Å²	120	51.1 Å²	51.1	64%	0.642	27%	0.273	S	S	*	.	S	Bend	trans	60.8	26.1	-179.6	-165.8	37.9	0	0	0	114.5	K409 G410 D411	K409-N413 WeakPolarHBondContact CD-O 3.41Å; G410-N413 WeakPolarHBondContact O-CA 3.31Å; G410-N413 PolarHBondContact O-N 3.3Å; D411-N413 PolarHBondContact O-N 3.01Å
414	K	97.8	Very high	97.5	Very high	51 Å²	51	50 Å²	50	22%	0.222	27%	0.267	C	S	.	.			trans	-108.4	147.8	173.4	-63.2	176	-170.7	160.1	0	111.1	G410 D412 R433 D435	G410-K414 PolarHBondContact N-O 3.35Å; D412-K414 PolarHBondContact O-N 3.31Å; D412-K414 PolarHBondContact OD1-N 3.23Å; K414-R433 HydrophobicContact CD-CG 4.23Å; K414-R433 WeakPolarHBondContact CD-O 3.38Å; K414-R433 WeakPolarHBondContact CE-O 3.48Å; K414-R433 PolarHBondContact NZ-O 3.16Å; K414-R433 PolarHBondContact O-NH2 2.86Å; K414-D435 HydrophobicContact CB-CB 4.04Å; K414-D435 HydrophobicContact CD-CB 4.31Å; K414-D435 HydrophobicContact CG-CB 4.01Å
415	S	98	Very high	97.5	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.035	27%	0.27	C	S	.	.			trans	-68.1	166	176.8	-35.8	0	0	0	0	110.5	R433 D435 P436 E437	S415-R433 PolarHBondContact O-NH1 3.35Å; S415-D435 WeakPolarHBondContact CB-OD1 3.24Å; S415-D435 PolarHBondContact N-OD1 2.8Å; S415-D435 PolarHBondContact OG-OD1 3.32Å; S415-P436 WeakPolarHBondContact O-CD 3.46Å; S415-P436 WeakPolarHBondContact O-CG 3.1Å; S415-E437 WeakPolarHBondContact OG-CB 3.49Å
416	Y	96.9	Very high	97.4	Very high	60 Å²	60	53.6 Å²	53.6	24%	0.235	28%	0.281	C	S	.	.			trans	-140.3	145.2	174.6	58	-89.7	0	0	0	110	V404 D405 A408	V404-Y416 CarbonylContact C-O 3.23Å; V404-Y416 WeakPolarHBondContact CA-O 3.41Å; V404-Y416 WeakPolarHBondContact CB-O 3.3Å; D405-Y416 HydrophobicContact CB-CD2 4.12Å; D405-Y416 HydrophobicContact CB-CE1 4.19Å; D405-Y416 HydrophobicContact CB-CE2 3.55Å; D405-Y416 PolarHBondContact N-O 3.35Å; D405-Y416 PolarHBondContact OD2-OH 2.93Å; D405-Y416 VanDerWaalsContact OD2-OH 3.04Å; A408-Y416 HydrophobicContact CB-CE1 4.46Å; A408-Y416 WeakPolarHBondContact O-CE1 3.35Å
417	L	98.1	Very high	97.2	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.073	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-69.2	140.4	-176.8	-66.4	163.9	0	0	0	111	V404 S419 S420 P436 R441 Y446 A448	V404-L417 HydrophobicContact CG1-CD2 4.25Å; L417-S419 WeakPolarHBondContact CB-O 3.47Å; L417-S420 PolarHBondContact O-OG 3.26Å; L417-P436 HydrophobicContact CD1-CB 4.34Å; L417-P436 HydrophobicContact CD2-CB 3.81Å; L417-P436 HydrophobicContact CD2-CG 4.48Å; L417-P436 HydrophobicContact CG-CB 3.77Å; L417-P436 HydrophobicContact CG-CG 4.11Å; L417-R441 HydrophobicContact CD2-CB 4.25Å; L417-Y446 HydrophobicContact CD1-CE1 3.73Å; L417-Y446 HydrophobicContact CD2-CE1 4.2Å; L417-A448 HydrophobicContact CD1-CB 3.63Å
418	I	98.2	Very high	96.8	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	25%	0.253	C	S	.	.	S	Bend	trans	-66	-44.8	171.2	-63.7	164.4	0	0	0	109.4	V391 V392 P395 I399 S400 V401 D403 S420	V391-I418 CarbonylContact C-O 3.55Å; V391-I418 WeakPolarHBondContact CA-O 3.27Å; V391-I418 HydrophobicContact CG1-CG2 3.81Å; V392-I418 PolarHBondContact N-O 2.77Å; P395-I418 HydrophobicContact CB-CD1 3.46Å; P395-I418 VanDerWaalsContact CB-CD1 3.46Å; P395-I418 HydrophobicContact CB-CG1 3.86Å; P395-I418 HydrophobicContact CG-CD1 3.78Å; P395-I418 HydrophobicContact CG-CG1 3.83Å; P395-I418 HydrophobicContact CG-CG2 4.09Å; I399-I418 HydrophobicContact CG2-CD1 3.56Å; S400-I418 WeakPolarHBondContact O-CD1 3.25Å; V401-I418 HydrophobicContact CG2-CG2 3.89Å; D403-I418 HydrophobicContact CB-CD1 4.48Å; D403-I418 PolarHBondContact O-N 3.44Å; I418-S420 PolarHBondContact O-N 3.38Å
419	S	98.4	Very high	96.4	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.028	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	100.7	171.3	-77	0	0	0	0	110.8	Y389 V401 L417	Y389-S419 PolarHBondContact OH-OG 3.22Å; V401-S419 WeakPolarHBondContact O-CB 3.48Å; V401-S419 PolarHBondContact O-N 2.88Å; V401-S419 PolarHBondContact O-OG 3.21Å; L417-S419 WeakPolarHBondContact CB-O 3.47Å
420	S	97.5	Very high	96	Very high	36 Å²	36	56.3 Å²	56.3	25%	0.252	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.4	-171.8	-80.2	0	0	0	0	113.3	Y389 G390 L417 I418	Y389-S420 WeakPolarHBondContact CA-O 3.21Å; G390-S420 PolarHBondContact N-O 2.73Å; G390-S420 PolarHBondContact O-N 3.27Å; L417-S420 PolarHBondContact O-OG 3.26Å; I418-S420 PolarHBondContact O-N 3.38Å
421	F	98	Very high	95.7	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.4	179.3	-67.4	-96.4	0	0	0	112.3	N346 N349 A351 A388 Y389 A448 S450	N346-F421 HydrophobicContact CB-CE1 4.26Å; N346-F421 WeakPolarHBondContact O-CE1 3.49Å; N349-F421 HydrophobicContact CB-CB 4.38Å; N349-F421 HydrophobicContact CB-CD1 4.31Å; N349-F421 HydrophobicContact CB-CD2 3.81Å; N349-F421 HydrophobicContact CB-CE2 4.11Å; N349-F421 HydrophobicContact CB-CG 3.91Å; N349-F421 VanDerWaalsContact OD1-CD1 3.31Å; N349-F421 WeakPolarHBondContact OD1-CD1 3.47Å; N349-F421 WeakPolarHBondContact OD1-CG 3.45Å; A351-F421 HydrophobicContact CB-CE2 4.11Å; A351-F421 HydrophobicContact CB-CZ 4.32Å; A388-F421 CarbonylContact O-C 3.59Å; A388-F421 VanDerWaalsContact O-CA 3.27Å; A388-F421 WeakPolarHBondContact O-CA 3.38Å; Y389-F421 HydrophobicContact CD2-CD1 4.32Å; Y389-F421 HydrophobicContact CD2-CD2 4.32Å; Y389-F421 AromaticContact CD2-CE1 3.83Å; Y389-F421 HydrophobicContact CD2-CE1 3.83Å; Y389-F421 AromaticContact CD2-CE2 3.84Å; Y389-F421 HydrophobicContact CD2-CE2 3.84Å; Y389-F421 AromaticContact CD2-CZ 3.56Å; Y389-F421 HydrophobicContact CD2-CZ 3.56Å; Y389-F421 HydrophobicContact CE2-CE2 4.32Å; Y389-F421 HydrophobicContact CE2-CZ 4.27Å; Y389-F421 HydrophobicContact CG-CE1 4.15Å; Y389-F421 HydrophobicContact CG-CZ 4.25Å; F421-A448 HydrophobicContact CD2-CB 3.84Å; F421-A448 HydrophobicContact CE2-CB 4.24Å; F421-S450 WeakPolarHBondContact O-CA 3.46Å; F421-S450 WeakPolarHBondContact O-CB 3.28Å
422	F	97.3	Very high	95.5	Very high	128 Å²	128	54.4 Å²	54.4	56%	0.561	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	-33.3	-178.8	-59.3	-68.8	0	0	0	113.1	A388 L451 V452	A388-F422 HydrophobicContact CB-CB 4.31Å; A388-F422 HydrophobicContact CB-CD2 4.24Å; A388-F422 PolarHBondContact O-N 2.73Å; F422-L451 WeakPolarHBondContact O-CB 3.45Å; F422-L451 PolarHBondContact O-N 3.47Å; F422-V452 PolarHBondContact O-N 3.17Å; F422-V452 VanDerWaalsContact O-N 3.17Å
423	N	98.2	Very high	95.4	Very high	27 Å²	27	54.3 Å²	54.3	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.4	177	66	52	0	0	0	110	N349 V452 L454 S457 T458	N349-N423 PolarHBondContact OD1-O 3.12Å; N423-V452 CarbonylContact C-O 3.57Å; N423-V452 VanDerWaalsContact CA-O 3.24Å; N423-V452 WeakPolarHBondContact CA-O 3.2Å; N423-V452 HydrophobicContact CB-CB 3.81Å; N423-V452 WeakPolarHBondContact CB-O 3.25Å; N423-L454 HydrophobicContact CB-CD1 3.96Å; N423-S457 WeakPolarHBondContact O-CB 3.31Å; N423-S457 PolarHBondContact O-OG 3Å; N423-S457 WeakPolarHBondContact OD1-CA 3.22Å; N423-S457 PolarHBondContact OD1-OG 3.26Å; N423-T458 PolarHBondContact ND2-OG1 3.17Å; N423-T458 PolarHBondContact OD1-N 3.33Å; N423-T458 PolarHBondContact OD1-OG1 3.17Å
424	G	98.2	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.6	-160.6	178.1	0	0	0	0	0	114.1	S450 V452 L454	G424-S450 PolarHBondContact N-OG 3.45Å; G424-S450 PolarHBondContact O-OG 2.67Å; G424-V452 PolarHBondContact N-O 2.78Å; G424-L454 CarbonylContact C-O 3.58Å; G424-L454 VanDerWaalsContact C-O 3.23Å; G424-L454 PolarHBondContact O-N 2.04Å; G424-L454 VanDerWaalsContact O-O 3.05Å
425	P	97.9	Very high	95.2	Very high	13 Å²	13	49 Å²	49	8%	0.084	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	160.6	172.4	-23.4	33.9	0	0	0	112.1	H347 N349 G427 T447 S450 L454 S455	H347-P425 WeakPolarHBondContact O-CD 3.36Å; N349-P425 PolarHBondContact ND2-O 3.31Å; P425-G427 PolarHBondContact O-N 3.06Å; P425-T447 HydrophobicContact CB-CG2 3.87Å; P425-S450 PolarHBondContact O-OG 3.33Å; P425-L454 WeakPolarHBondContact CA-O 3.14Å; P425-S455 WeakPolarHBondContact CG-O 3.4Å
426	R	95.5	Very high	95.1	Very high	71 Å²	71	49.1 Å²	49.1	27%	0.268	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	14.1	-178.1	-71.5	-171.4	66.4	178.6	2.7	115.9	I428 E439 T447 E449 R453	R426-I428 PolarHBondContact O-N 2.9Å; R426-E439 IonicContact CZ-OE1 3.44Å; R426-E439 IonicContact CZ-OE2 3.47Å; R426-E439 IonicContact NH1-OE2 3.4Å; R426-E439 PolarHBondContact NH1-OE2 3.38Å; R426-E439 VanDerWaalsContact NH2-CD 3.33Å; R426-E439 IonicContact NH2-OE1 2.81Å; R426-E439 PolarHBondContact NH2-OE1 3.23Å; R426-E439 IonicContact NH2-OE2 3.46Å; R426-E439 PolarHBondContact NH2-OE2 3.03Å; R426-T447 HydrophobicContact CB-CG2 3.99Å; R426-T447 WeakPolarHBondContact CD-O 3.25Å; R426-T447 HydrophobicContact CG-CG2 3.61Å; R426-T447 PolarHBondContact NH1-O 3.49Å; R426-E449 HydrophobicContact CB-CG 4.41Å; R426-E449 IonicContact CZ-OE1 3.41Å; R426-E449 IonicContact NH2-OE1 3.54Å; R426-E449 PolarHBondContact NH2-OE1 3.26Å; R426-R453 VanDerWaalsContact N-NH1 3.2Å
427	G	94.3	Very high	95.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.01	27%	0.27	C	S	.	.			trans	-56.4	134.4	157.3	0	0	0	0	0	111.2	P425 S450 R453	P425-G427 PolarHBondContact O-N 3.06Å; G427-S450 VanDerWaalsContact CA-O 3.26Å; G427-S450 WeakPolarHBondContact CA-O 3.39Å; G427-S450 PolarHBondContact N-OG 2.65Å; G427-R453 VanDerWaalsContact O-CD 3.29Å; G427-R453 WeakPolarHBondContact O-CD 3.36Å; G427-R453 PolarHBondContact O-NH1 2.69Å; G427-R453 VanDerWaalsContact O-NH1 3.16Å
428	I	88.2	Confident	95.1	Very high	56 Å²	56	55.2 Å²	55.2	29%	0.287	30%	0.3	S	S	.	.			trans	-92	133.6	-167.9	-52	179	0	0	0	109.3	R426 A431 R433 E449	R426-I428 PolarHBondContact O-N 2.9Å; I428-A431 HydrophobicContact CG2-CB 3.75Å; I428-A431 VanDerWaalsContact CG2-O 3.23Å; I428-A431 WeakPolarHBondContact CG2-O 2.98Å; I428-R433 HydrophobicContact CD1-CB 3.61Å; I428-E449 WeakPolarHBondContact CD1-OE2 3.16Å
429	L	89.8	Confident	95	Very high	126 Å²	126	57 Å²	57	66%	0.66	31%	0.308	S	S	*	.	S	Bend	trans	-109.5	120.6	176	-57.8	176.8	0	0	0	107.5	A431 R453	L429-A431 PolarHBondContact O-N 3.19Å; L429-R453 HydrophobicContact CD2-CB 4Å; L429-R453 HydrophobicContact CD2-CG 4.41Å; L429-R453 HydrophobicContact CG-CB 4.48Å; L429-R453 HydrophobicContact CG-CG 4.46Å
430	D	88.5	Confident	95	Very high	178 Å²	178	62.3 Å²	62.3	95%	0.952	34%	0.336	S	S	*	.	S	Bend	trans	54	29.5	169.5	-52.1	-46.5	0	0	0	116.3
431	A	89.6	Confident	94.9	Very high	60 Å²	60	61.8 Å²	61.8	50%	0.496	33%	0.329	S	S	.	.	S	Bend	trans	-140.9	154.5	178.1	0	0	0	0	0	111.6	I428 L429	I428-A431 HydrophobicContact CG2-CB 3.75Å; I428-A431 VanDerWaalsContact CG2-O 3.23Å; I428-A431 WeakPolarHBondContact CG2-O 2.98Å; L429-A431 PolarHBondContact O-N 3.19Å
432	P	91.5	Very high	94.9	Very high	110 Å²	110	65.6 Å²	65.6	71%	0.714	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-67.3	149	170.1	30.2	-34.8	0	0	0	110.3
433	R	94.3	Very high	94.9	Very high	70 Å²	70	60.5 Å²	60.5	26%	0.264	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-60.4	152.9	176.8	70.6	-175.6	-171.4	96.5	-10.3	114.2	D412 K414 S415 I428	D412-R433 IonicContact OD1-CZ 3.72Å; D412-R433 IonicContact OD1-NE 3.86Å; D412-R433 IonicContact OD1-NH2 3.26Å; D412-R433 PolarHBondContact OD1-NH2 2.85Å; D412-R433 IonicContact OD2-CZ 3.78Å; D412-R433 IonicContact OD2-NE 2.77Å; D412-R433 PolarHBondContact OD2-NE 2.71Å; D412-R433 IonicContact OD2-NH2 3.44Å; D412-R433 PolarHBondContact OD2-NH2 3.17Å; K414-R433 HydrophobicContact CD-CG 4.23Å; K414-R433 WeakPolarHBondContact CD-O 3.38Å; K414-R433 WeakPolarHBondContact CE-O 3.48Å; K414-R433 PolarHBondContact NZ-O 3.16Å; K414-R433 PolarHBondContact O-NH2 2.86Å; S415-R433 PolarHBondContact O-NH1 3.35Å; I428-R433 HydrophobicContact CD1-CB 3.61Å
434	S	93.2	Very high	94.7	Very high	30 Å²	30	61.3 Å²	61.3	21%	0.21	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-72.9	168.3	172.1	74.6	0	0	0	0	110.9	E439 E449	S434-E439 WeakPolarHBondContact CB-OE1 3.47Å; S434-E439 PolarHBondContact OG-OE1 2.85Å; S434-E449 PolarHBondContact N-OE2 3.1Å; S434-E449 PolarHBondContact OG-OE1 3.43Å; S434-E449 PolarHBondContact OG-OE2 3.5Å
435	D	96.7	Very high	94.6	Very high	29 Å²	29	66 Å²	66	16%	0.155	36%	0.36	C	S	.	.			trans	-96.2	108.4	165.2	-169.4	-15.5	0	0	0	107.9	K414 S415 E437 T438	K414-D435 HydrophobicContact CB-CB 4.04Å; K414-D435 HydrophobicContact CD-CB 4.31Å; K414-D435 HydrophobicContact CG-CB 4.01Å; S415-D435 WeakPolarHBondContact CB-OD1 3.24Å; S415-D435 PolarHBondContact N-OD1 2.8Å; S415-D435 PolarHBondContact OG-OD1 3.32Å; D435-E437 PolarHBondContact O-N 2.83Å; D435-E437 VanDerWaalsContact O-N 3.09Å; D435-E437 WeakPolarHBondContact OD1-CB 3.45Å; D435-E437 PolarHBondContact OD1-N 3.48Å; D435-T438 HydrophobicContact CB-CG2 4.11Å; D435-T438 WeakPolarHBondContact O-CB 3.4Å; D435-T438 PolarHBondContact O-N 3.3Å; D435-T438 PolarHBondContact O-OG1 3.37Å
436	P	97.2	Very high	94.6	Very high	7 Å²	7	66.7 Å²	66.7	5%	0.045	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-60.6	-20	-178	22.9	-32.5	0	0	0	113.4	V404 S415 L417 T438 E439	V404-P436 HydrophobicContact CG1-CB 3.93Å; V404-P436 HydrophobicContact CG1-CG 3.77Å; S415-P436 WeakPolarHBondContact O-CD 3.46Å; S415-P436 WeakPolarHBondContact O-CG 3.1Å; L417-P436 HydrophobicContact CD1-CB 4.34Å; L417-P436 HydrophobicContact CD2-CB 3.81Å; L417-P436 HydrophobicContact CD2-CG 4.48Å; L417-P436 HydrophobicContact CG-CB 3.77Å; L417-P436 HydrophobicContact CG-CG 4.11Å; P436-T438 PolarHBondContact O-N 2.93Å; P436-E439 PolarHBondContact O-N 2.84Å; P436-E439 VanDerWaalsContact O-N 3.17Å
437	E	97.1	Very high	94.8	Very high	88 Å²	88	64.6 Å²	64.6	41%	0.411	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-62.4	-27.4	172.9	-174.4	61.1	-129.5	0	0	112.2	V404 S415 D435 E439 R441	V404-E437 WeakPolarHBondContact CG2-OE2 3.48Å; S415-E437 WeakPolarHBondContact OG-CB 3.49Å; D435-E437 PolarHBondContact O-N 2.83Å; D435-E437 VanDerWaalsContact O-N 3.09Å; D435-E437 WeakPolarHBondContact OD1-CB 3.45Å; D435-E437 PolarHBondContact OD1-N 3.48Å; E437-E439 VanDerWaalsContact C-N 3.33Å; E437-R441 VanDerWaalsContact CD-NH2 3.27Å; E437-R441 PolarHBondContact O-NH1 3.24Å; E437-R441 VanDerWaalsContact O-NH1 3.1Å; E437-R441 IonicContact OE1-CZ 2.93Å; E437-R441 IonicContact OE1-NH1 3.78Å; E437-R441 PolarHBondContact OE1-NH1 3.19Å; E437-R441 IonicContact OE1-NH2 3.17Å; E437-R441 PolarHBondContact OE1-NH2 3.23Å; E437-R441 IonicContact OE2-CZ 3.74Å; E437-R441 IonicContact OE2-NH1 3.6Å; E437-R441 IonicContact OE2-NH2 2.97Å; E437-R441 PolarHBondContact OE2-NH2 2.91Å; E437-R441 VanDerWaalsContact OE2-NH2 3.14Å
438	T	97.1	Very high	94.9	Very high	114 Å²	114	64.7 Å²	64.7	70%	0.699	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-87.7	-1.8	179.9	68.1	0	0	0	0	113.5	D435 P436	D435-T438 HydrophobicContact CB-CG2 4.11Å; D435-T438 WeakPolarHBondContact O-CB 3.4Å; D435-T438 PolarHBondContact O-N 3.3Å; D435-T438 PolarHBondContact O-OG1 3.37Å; P436-T438 PolarHBondContact O-N 2.93Å
439	E	97.1	Very high	95.2	Very high	40 Å²	40	64.4 Å²	64.4	19%	0.187	35%	0.354	C	S	.	.	S	Bend	trans	-104.9	158.4	-178.4	-54.8	-171.9	175.5	0	0	111.7	R426 S434 P436 E437 R441 Y446	R426-E439 IonicContact CZ-OE1 3.44Å; R426-E439 IonicContact CZ-OE2 3.47Å; R426-E439 IonicContact NH1-OE2 3.4Å; R426-E439 PolarHBondContact NH1-OE2 3.38Å; R426-E439 VanDerWaalsContact NH2-CD 3.33Å; R426-E439 IonicContact NH2-OE1 2.81Å; R426-E439 PolarHBondContact NH2-OE1 3.23Å; R426-E439 IonicContact NH2-OE2 3.46Å; R426-E439 PolarHBondContact NH2-OE2 3.03Å; S434-E439 WeakPolarHBondContact CB-OE1 3.47Å; S434-E439 PolarHBondContact OG-OE1 2.85Å; P436-E439 PolarHBondContact O-N 2.84Å; P436-E439 VanDerWaalsContact O-N 3.17Å; E437-E439 VanDerWaalsContact C-N 3.33Å; E439-R441 PolarHBondContact O-N 3.44Å; E439-Y446 HydrophobicContact CB-CE2 3.82Å; E439-Y446 WeakPolarHBondContact OE2-CE2 3.41Å; E439-Y446 VanDerWaalsContact OE2-CZ 3.24Å; E439-Y446 PolarHBondContact OE2-OH 3.11Å
440	D	96.8	Very high	95.5	Very high	116 Å²	116	58.9 Å²	58.9	62%	0.62	33%	0.326	S	S	*	.			trans	-77.9	68.2	171.8	-172.9	11.7	0	0	0	111.1	F442 A443 Y446	D440-F442 PolarHBondContact O-N 3.33Å; D440-A443 WeakPolarHBondContact O-CB 3.35Å; D440-A443 PolarHBondContact O-N 3.14Å; D440-Y446 WeakPolarHBondContact O-CD2 3.39Å
441	R	96.5	Very high	95.8	Very high	26 Å²	26	57.4 Å²	57.4	10%	0.098	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.8	-175.7	65.2	-168.2	173.6	-89.8	9.8	115.2	D403 L417 E437 E439 Y446	D403-R441 IonicContact OD1-CZ 3.97Å; D403-R441 IonicContact OD1-NE 3.88Å; D403-R441 PolarHBondContact OD1-NE 3.2Å; D403-R441 IonicContact OD1-NH2 3.56Å; D403-R441 PolarHBondContact OD1-NH2 3.44Å; D403-R441 IonicContact OD2-NH2 2.85Å; L417-R441 HydrophobicContact CD2-CB 4.25Å; E437-R441 VanDerWaalsContact CD-NH2 3.27Å; E437-R441 PolarHBondContact O-NH1 3.24Å; E437-R441 VanDerWaalsContact O-NH1 3.1Å; E437-R441 IonicContact OE1-CZ 2.93Å; E437-R441 IonicContact OE1-NH1 3.78Å; E437-R441 PolarHBondContact OE1-NH1 3.19Å; E437-R441 IonicContact OE1-NH2 3.17Å; E437-R441 PolarHBondContact OE1-NH2 3.23Å; E437-R441 IonicContact OE2-CZ 3.74Å; E437-R441 IonicContact OE2-NH1 3.6Å; E437-R441 IonicContact OE2-NH2 2.97Å; E437-R441 PolarHBondContact OE2-NH2 2.91Å; E437-R441 VanDerWaalsContact OE2-NH2 3.14Å; E439-R441 PolarHBondContact O-N 3.44Å; R441-Y446 HydrophobicContact CB-CD1 4.13Å; R441-Y446 HydrophobicContact CB-CD2 4.41Å; R441-Y446 HydrophobicContact CB-CE1 3.93Å; R441-Y446 HydrophobicContact CB-CE2 4.21Å; R441-Y446 HydrophobicContact CB-CG 4.37Å
442	F	96.8	Very high	96.2	Very high	87 Å²	87	58.2 Å²	58.2	38%	0.382	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.1	176.7	-64.8	-74.8	0	0	0	113.4	Q352 L402 D403 D440	Q352-F442 PolarHBondContact NE2-O 2.92Å; Q352-F442 PolarHBondContact OE1-O 2.84Å; L402-F442 HydrophobicContact CB-CD1 4.4Å; L402-F442 HydrophobicContact CB-CE1 4.33Å; D403-F442 HydrophobicContact CB-CZ 4.09Å; D440-F442 PolarHBondContact O-N 3.33Å
443	A	97.7	Very high	96.4	Very high	22 Å²	22	59 Å²	59	18%	0.182	31%	0.305	C	S	.	.	S	Bend	trans	-61.6	136	170.1	0	0	0	0	0	110.1	Q352 D440 N445 Y446	Q352-A443 PolarHBondContact OE1-O 2.8Å; D440-A443 WeakPolarHBondContact O-CB 3.35Å; D440-A443 PolarHBondContact O-N 3.14Å; A443-N445 PolarHBondContact O-N 2.77Å; A443-Y446 WeakPolarHBondContact O-CB 3.43Å; A443-Y446 PolarHBondContact O-N 3.1Å
444	S	94.9	Very high	96.6	Very high	43 Å²	43	58.6 Å²	58.6	30%	0.301	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.7	-176.7	62.5	0	0	0	0	113.5	Y353	Y353-S444 WeakPolarHBondContact CD2-O 3.3Å; Y353-S444 WeakPolarHBondContact CE2-O 3.11Å; Y353-S444 VanDerWaalsContact CZ-O 3.26Å; Y353-S444 PolarHBondContact OH-OG 3.35Å
445	N	96.3	Very high	96.8	Very high	98 Å²	98	62.5 Å²	62.5	52%	0.524	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	14.5	-179.7	69	-15.1	0	0	0	113.6	Q350 Y353 A443 T447	Q350-N445 PolarHBondContact NE2-O 2.98Å; Y353-N445 HydrophobicContact CE2-CB 4.04Å; A443-N445 PolarHBondContact O-N 2.77Å; N445-T447 PolarHBondContact O-N 2.98Å
446	Y	98.2	Very high	96.9	Very high	28 Å²	28	64.5 Å²	64.5	11%	0.11	35%	0.345	C	S	.	.			trans	-58.6	114.1	177	-179.1	-103.8	0	0	0	110.5	Q350 L417 E439 D440 R441 A443 A448	Q350-Y446 WeakPolarHBondContact CG-O 3.46Å; L417-Y446 HydrophobicContact CD1-CE1 3.73Å; L417-Y446 HydrophobicContact CD2-CE1 4.2Å; E439-Y446 HydrophobicContact CB-CE2 3.82Å; E439-Y446 WeakPolarHBondContact OE2-CE2 3.41Å; E439-Y446 VanDerWaalsContact OE2-CZ 3.24Å; E439-Y446 PolarHBondContact OE2-OH 3.11Å; D440-Y446 WeakPolarHBondContact O-CD2 3.39Å; R441-Y446 HydrophobicContact CB-CD1 4.13Å; R441-Y446 HydrophobicContact CB-CD2 4.41Å; R441-Y446 HydrophobicContact CB-CE1 3.93Å; R441-Y446 HydrophobicContact CB-CE2 4.21Å; R441-Y446 HydrophobicContact CB-CG 4.37Å; A443-Y446 WeakPolarHBondContact O-CB 3.43Å; A443-Y446 PolarHBondContact O-N 3.1Å; Y446-A448 HydrophobicContact CE1-CB 4.45Å
447	T	98	Very high	96.9	Very high	27 Å²	27	64.3 Å²	64.3	17%	0.166	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-90.1	118.8	174.8	-63.6	0	0	0	0	108.3	Q348 N349 P425 R426 N445	Q348-T447 WeakPolarHBondContact O-CG2 3.34Å; N349-T447 HydrophobicContact CB-CG2 4.09Å; P425-T447 HydrophobicContact CB-CG2 3.87Å; R426-T447 HydrophobicContact CB-CG2 3.99Å; R426-T447 WeakPolarHBondContact CD-O 3.25Å; R426-T447 HydrophobicContact CG-CG2 3.61Å; R426-T447 PolarHBondContact NH1-O 3.49Å; N445-T447 PolarHBondContact O-N 2.98Å
448	A	97.3	Very high	97	Very high	4 Å²	4	63 Å²	63	3%	0.033	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-70	144.5	174.1	0	0	0	0	0	111.3	N349 L417 F421 Y446	N349-A448 HydrophobicContact CB-CB 4.35Å; N349-A448 PolarHBondContact ND2-O 3.09Å; N349-A448 PolarHBondContact O-N 3.08Å; L417-A448 HydrophobicContact CD1-CB 3.63Å; F421-A448 HydrophobicContact CD2-CB 3.84Å; F421-A448 HydrophobicContact CE2-CB 4.24Å; Y446-A448 HydrophobicContact CE1-CB 4.45Å
449	E	95.6	Very high	97.1	Very high	49 Å²	49	58.8 Å²	58.8	23%	0.229	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-67	147.8	168.5	-57.1	-163.6	146.6	0	0	110.4	R426 I428 S434	R426-E449 HydrophobicContact CB-CG 4.41Å; R426-E449 IonicContact CZ-OE1 3.41Å; R426-E449 IonicContact NH2-OE1 3.54Å; R426-E449 PolarHBondContact NH2-OE1 3.26Å; I428-E449 WeakPolarHBondContact CD1-OE2 3.16Å; S434-E449 PolarHBondContact N-OE2 3.1Å; S434-E449 PolarHBondContact OG-OE1 3.43Å; S434-E449 PolarHBondContact OG-OE2 3.5Å
450	S	95.8	Very high	97.1	Very high	11 Å²	11	58.4 Å²	58.4	8%	0.077	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.5	179.8	65.3	0	0	0	0	112	N349 F421 G424 P425 G427 V452	N349-S450 WeakPolarHBondContact ND2-CB 3.3Å; F421-S450 WeakPolarHBondContact O-CA 3.46Å; F421-S450 WeakPolarHBondContact O-CB 3.28Å; G424-S450 PolarHBondContact N-OG 3.45Å; G424-S450 PolarHBondContact O-OG 2.67Å; P425-S450 PolarHBondContact O-OG 3.33Å; G427-S450 VanDerWaalsContact CA-O 3.26Å; G427-S450 WeakPolarHBondContact CA-O 3.39Å; G427-S450 PolarHBondContact N-OG 2.65Å; S450-V452 PolarHBondContact OG-O 3.01Å
451	L	94.8	Very high	97.1	Very high	146 Å²	146	55 Å²	55	76%	0.764	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	-47.3	179.1	176.6	66.8	0	0	0	112.6	F422	F422-L451 WeakPolarHBondContact O-CB 3.45Å; F422-L451 PolarHBondContact O-N 3.47Å
452	V	96.4	Very high	97.2	Very high	77 Å²	77	57.2 Å²	57.2	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.5	-177.8	-178.5	0	0	0	0	111	F422 N423 G424 S450 L454	F422-V452 PolarHBondContact O-N 3.17Å; F422-V452 VanDerWaalsContact O-N 3.17Å; N423-V452 CarbonylContact C-O 3.57Å; N423-V452 VanDerWaalsContact CA-O 3.24Å; N423-V452 WeakPolarHBondContact CA-O 3.2Å; N423-V452 HydrophobicContact CB-CB 3.81Å; N423-V452 WeakPolarHBondContact CB-O 3.25Å; G424-V452 PolarHBondContact N-O 2.78Å; S450-V452 PolarHBondContact OG-O 3.01Å; V452-L454 PolarHBondContact O-N 2.87Å
453	R	97.2	Very high	97.2	Very high	126 Å²	126	55.4 Å²	55.4	48%	0.475	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	120.6	179.2	-178.1	51.4	173.6	-119.3	8.6	111.7	R426 G427 L429	R426-R453 VanDerWaalsContact N-NH1 3.2Å; G427-R453 VanDerWaalsContact O-CD 3.29Å; G427-R453 WeakPolarHBondContact O-CD 3.36Å; G427-R453 PolarHBondContact O-NH1 2.69Å; G427-R453 VanDerWaalsContact O-NH1 3.16Å; L429-R453 HydrophobicContact CD2-CB 4Å; L429-R453 HydrophobicContact CD2-CG 4.41Å; L429-R453 HydrophobicContact CG-CB 4.48Å; L429-R453 HydrophobicContact CG-CG 4.46Å
454	L	97.9	Very high	97.3	Very high	63 Å²	63	54.4 Å²	54.4	33%	0.33	30%	0.302	S	S	.	.			trans	-133.5	167.3	168.5	-62	174.8	0	0	0	109.7	N423 G424 P425 V452 L456 T458	N423-L454 HydrophobicContact CB-CD1 3.96Å; G424-L454 CarbonylContact C-O 3.58Å; G424-L454 VanDerWaalsContact C-O 3.23Å; G424-L454 PolarHBondContact O-N 2.04Å; G424-L454 VanDerWaalsContact O-O 3.05Å; P425-L454 WeakPolarHBondContact CA-O 3.14Å; V452-L454 PolarHBondContact O-N 2.87Å; L454-L456 VanDerWaalsContact C-N 3.31Å; L454-L456 WeakPolarHBondContact CB-O 3.35Å; L454-T458 HydrophobicContact CD1-CG2 3.54Å
455	S	97.6	Very high	97.4	Very high	111 Å²	111	52.5 Å²	52.5	78%	0.776	29%	0.288	S	S	*	.	S	Bend	trans	-71	-30.4	171.9	51.6	0	0	0	0	112.3	P425	P425-S455 WeakPolarHBondContact CG-O 3.4Å
456	L	98.1	Very high	97.6	Very high	72 Å²	72	47.8 Å²	47.8	38%	0.377	26%	0.263	S	S	.	.	S	Bend	trans	-142.8	147.2	175.2	-60.8	174.7	0	0	0	108	H347 L454	H347-L456 HydrophobicContact CB-CB 4.34Å; H347-L456 HydrophobicContact CB-CD2 4.29Å; H347-L456 CarbonylContact O-C 3.57Å; H347-L456 WeakPolarHBondContact O-CA 3.5Å; L454-L456 VanDerWaalsContact C-N 3.31Å; L454-L456 WeakPolarHBondContact CB-O 3.35Å
457	S	98.3	Very high	97.6	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-65.8	151	173.5	-177.9	0	0	0	0	111	N346 H347 N349 H387 N423	N346-S457 WeakPolarHBondContact O-CB 3.36Å; H347-S457 PolarHBondContact CE1-O 2.99Å; H347-S457 VanDerWaalsContact CE1-O 3.28Å; H347-S457 PolarHBondContact ND1-O 2.78Å; H347-S457 PolarHBondContact O-N 3.36Å; N349-S457 WeakPolarHBondContact OD1-CB 3.34Å; H387-S457 PolarHBondContact CE1-OG 3.19Å; N423-S457 WeakPolarHBondContact O-CB 3.31Å; N423-S457 PolarHBondContact O-OG 3Å; N423-S457 WeakPolarHBondContact OD1-CA 3.22Å; N423-S457 PolarHBondContact OD1-OG 3.26Å
458	T	98.5	Very high	97.6	Very high	60 Å²	60	46 Å²	46	37%	0.368	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-89.6	155.5	-178.3	67.2	0	0	0	0	111.6	H387 A388 N423 L454	H387-T458 PolarHBondContact CE1-O 3.03Å; H387-T458 VanDerWaalsContact CE1-O 3.31Å; H387-T458 PolarHBondContact ND1-O 2.82Å; A388-T458 WeakPolarHBondContact CB-O 3.43Å; A388-T458 PolarHBondContact N-O 3.2Å; A388-T458 VanDerWaalsContact N-O 3.17Å; N423-T458 PolarHBondContact ND2-OG1 3.17Å; N423-T458 PolarHBondContact OD1-N 3.33Å; N423-T458 PolarHBondContact OD1-OG1 3.17Å; L454-T458 HydrophobicContact CD1-CG2 3.54Å
459	H	98.6	Very high	97.7	Very high	26 Å²	26	47 Å²	47	12%	0.12	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	165.8	163.4	-52.1	170.5	0	0	0	110.9	T120 T121 D343 H347 H385 S386	T120-H459 HydrophobicContact CG2-CB 3.56Å; T121-H459 PolarHBondContact O-ND1 3.38Å; D343-H459 IonicContact OD1-CD2 3.11Å; D343-H459 IonicContact OD1-NE2 3.49Å; H347-H459 AromaticContact CE1-CD2 3.51Å; H347-H459 AromaticContact CE1-NE2 3.3Å; H347-H459 PolarHBondContact CE1-NE2 2.77Å; H347-H459 VanDerWaalsContact CE1-NE2 3.3Å; H347-H459 AromaticContact NE2-CD2 3.92Å; H347-H459 AromaticContact NE2-NE2 3.31Å; H347-H459 PolarHBondContact NE2-NE2 3.03Å; H385-H459 AromaticContact CD2-CE1 3.71Å; H385-H459 AromaticContact CD2-ND1 3.5Å; H385-H459 AromaticContact CE1-CD2 3.26Å; H385-H459 PolarHBondContact CE1-CD2 3.4Å; H385-H459 AromaticContact CE1-CE1 3.31Å; H385-H459 PolarHBondContact CE1-CE1 3.04Å; H385-H459 AromaticContact CE1-CG 3.32Å; H385-H459 AromaticContact CE1-ND1 3.35Å; H385-H459 PolarHBondContact CE1-ND1 3.34Å; H385-H459 AromaticContact CE1-NE2 3.35Å; H385-H459 PolarHBondContact CE1-NE2 2.85Å; H385-H459 VanDerWaalsContact CE1-NE2 3.35Å; H385-H459 AromaticContact CG-CG 3.91Å; H385-H459 AromaticContact CG-ND1 3.69Å; H385-H459 AromaticContact ND1-CD2 3.74Å; H385-H459 AromaticContact ND1-CG 3.39Å; H385-H459 AromaticContact ND1-ND1 3.59Å; H385-H459 AromaticContact NE2-CD2 3.81Å; H385-H459 AromaticContact NE2-CE1 3.01Å; H385-H459 PolarHBondContact NE2-CE1 3.28Å; H385-H459 AromaticContact NE2-CG 3.72Å; H385-H459 AromaticContact NE2-ND1 3.23Å; H385-H459 PolarHBondContact NE2-ND1 3.45Å; H385-H459 AromaticContact NE2-NE2 3.47Å; H385-H459 PolarHBondContact NE2-NE2 2.68Å; S386-H459 WeakPolarHBondContact O-CA 3.44Å; S386-H459 WeakPolarHBondContact O-CB 3.36Å
460	S	98.1	Very high	97.7	Very high	33 Å²	33	45.3 Å²	45.3	23%	0.231	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.6	174.5	-177	0	0	0	0	111.2	S386 H387	S386-S460 PolarHBondContact O-N 3.25Å; H387-S460 WeakPolarHBondContact O-CB 3Å
461	A	97.3	Very high	97.7	Very high	45 Å²	45	45 Å²	45	37%	0.372	25%	0.252	S	S	.	.			trans	-87.3	-2.9	-177	0	0	0	0	0	113.9	L119	L119-A461 WeakPolarHBondContact O-CB 3.45Å
462	E	96.9	Very high	97.8	Very high	71 Å²	71	38.3 Å²	38.3	33%	0.332	22%	0.216	S	C	.	.	S	Bend	trans	-62.6	151.8	177.7	65.7	179.8	-168.5	0	0	111.6	S386	S386-E462 VanDerWaalsContact OG-CD 3.24Å; S386-E462 WeakPolarHBondContact OG-CG 3.39Å; S386-E462 PolarHBondContact OG-OE1 3Å
463	D	98.4	Very high	97.8	Very high	50 Å²	50	34.9 Å²	34.9	27%	0.267	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-58.7	144.1	174.7	-70.9	18.7	0	0	0	110.5	L110 V111 R112	L110-D463 HydrophobicContact CB-CB 3.98Å; V111-D463 CarbonylContact O-C 3.13Å; V111-D463 VanDerWaalsContact O-CA 3.26Å; V111-D463 WeakPolarHBondContact O-CA 3.41Å; R112-D463 VanDerWaalsContact CG-OD1 3.3Å; R112-D463 WeakPolarHBondContact CG-OD1 3.35Å
464	V	98.7	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	153.5	176	-59	0	0	0	0	110.4	L110 V111 T113 A383	L110-V464 CarbonylContact C-O 3.47Å; L110-V464 WeakPolarHBondContact CA-O 3.2Å; V111-V464 HydrophobicContact CB-CG2 3.86Å; V111-V464 HydrophobicContact CG1-CG2 4.49Å; V111-V464 PolarHBondContact N-O 2.93Å; V111-V464 PolarHBondContact O-N 2.63Å; T113-V464 HydrophobicContact CG2-CB 4.47Å; T113-V464 HydrophobicContact CG2-CG1 4.06Å; T113-V464 HydrophobicContact CG2-CG2 3.62Å; A383-V464 HydrophobicContact CB-CB 3.85Å; A383-V464 HydrophobicContact CB-CG1 3.91Å; A383-V464 HydrophobicContact CB-CG2 4.16Å; A383-V464 WeakPolarHBondContact O-CG2 3.41Å
465	P	98.4	Very high	97.7	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	146.6	177.2	30.7	-33.4	0	0	0	111.1	L77 V80 S109 T382 Y467	L77-P465 HydrophobicContact CD2-CB 3.79Å; L77-P465 HydrophobicContact CD2-CG 3.96Å; V80-P465 HydrophobicContact CG2-CG 4.04Å; S109-P465 WeakPolarHBondContact O-CA 3.13Å; T382-P465 VanDerWaalsContact CA-O 3.31Å; T382-P465 WeakPolarHBondContact CA-O 3.22Å; T382-P465 PolarHBondContact OG1-O 3.07Å; T382-P465 VanDerWaalsContact OG1-O 3.12Å; P465-Y467 HydrophobicContact CB-CD2 4.39Å; P465-Y467 HydrophobicContact CB-CE2 3.55Å; P465-Y467 HydrophobicContact CG-CE2 3.96Å
466	I	98.8	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.4	162.8	-174.1	157.5	0	0	0	109.8	A108 S109 V111 V381 F476 L480 I485	A108-I466 CarbonylContact C-O 3.56Å; A108-I466 WeakPolarHBondContact CA-O 3.41Å; S109-I466 PolarHBondContact N-O 3.34Å; S109-I466 PolarHBondContact O-N 2.91Å; V111-I466 HydrophobicContact CG2-CB 3.51Å; V111-I466 HydrophobicContact CG2-CD1 4.15Å; V111-I466 HydrophobicContact CG2-CG1 4.46Å; V111-I466 HydrophobicContact CG2-CG2 3.36Å; V381-I466 CarbonylContact O-C 3.53Å; V381-I466 WeakPolarHBondContact O-CA 3.27Å; I466-F476 HydrophobicContact CD1-CD1 3.5Å; I466-F476 HydrophobicContact CD1-CE1 3.92Å; I466-F476 HydrophobicContact CD1-CG 4.31Å; I466-F476 HydrophobicContact CG1-CD1 4.34Å; I466-L480 HydrophobicContact CG2-CD2 4.41Å; I466-I485 HydrophobicContact CD1-CD1 4Å; I466-I485 HydrophobicContact CD1-CG1 3.94Å
467	Y	98.8	Very high	97.6	Very high	18 Å²	18	26 Å²	26	7%	0.071	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137	175	-53.1	-91.9	0	0	0	108.5	W102 E103 V107 A108 L380 V381 P465	W102-Y467 HydrophobicContact CB-CD2 4.5Å; W102-Y467 HydrophobicContact CB-CG 4.2Å; W102-Y467 AromaticContact CD1-CD1 3.94Å; W102-Y467 AromaticContact CD1-CD2 3.26Å; W102-Y467 AromaticContact CD1-CE2 3.36Å; W102-Y467 AromaticContact CD1-CG 3.57Å; W102-Y467 AromaticContact CD1-CZ 3.77Å; W102-Y467 HydrophobicContact CG-CD2 4.05Å; W102-Y467 HydrophobicContact CG-CE2 4.48Å; W102-Y467 HydrophobicContact CG-CG 4.19Å; W102-Y467 AromaticContact NE1-CD2 3.83Å; W102-Y467 AromaticContact NE1-CE2 3.55Å; W102-Y467 VanDerWaalsContact O-CD1 3.27Å; W102-Y467 WeakPolarHBondContact O-CD1 3.33Å; E103-Y467 HydrophobicContact CB-CE1 4.45Å; E103-Y467 HydrophobicContact CG-CE1 4.13Å; V107-Y467 CarbonylContact O-C 3.48Å; V107-Y467 VanDerWaalsContact O-CA 3.29Å; V107-Y467 WeakPolarHBondContact O-CA 3.33Å; A108-Y467 HydrophobicContact CB-CD1 3.63Å; A108-Y467 HydrophobicContact CB-CE1 3.81Å; L380-Y467 WeakPolarHBondContact CA-O 3.42Å; V381-Y467 HydrophobicContact CB-CD2 4.42Å; V381-Y467 HydrophobicContact CG1-CD2 4.5Å; V381-Y467 PolarHBondContact N-O 2.96Å; V381-Y467 PolarHBondContact O-N 3.21Å; P465-Y467 HydrophobicContact CB-CD2 4.39Å; P465-Y467 HydrophobicContact CB-CE2 3.55Å; P465-Y467 HydrophobicContact CG-CE2 3.96Å
468	A	98.6	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.6	179.4	0	0	0	0	0	112.1	V107 L379 L380 F476	V107-A468 HydrophobicContact CB-CB 4.07Å; V107-A468 HydrophobicContact CG1-CB 4.13Å; V107-A468 PolarHBondContact N-O 3.42Å; V107-A468 PolarHBondContact O-N 2.88Å; L379-A468 WeakPolarHBondContact O-CA 3.13Å; L380-A468 HydrophobicContact CD2-CB 3.52Å; A468-F476 HydrophobicContact CB-CB 3.99Å; A468-F476 HydrophobicContact CB-CD2 3.91Å; A468-F476 HydrophobicContact CB-CG 4.16Å
469	N	98.1	Very high	97.3	Very high	23 Å²	23	27.7 Å²	27.7	12%	0.123	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.2	175.5	-174.3	20.7	0	0	0	110.7	W105 Q374 L379	W105-N469 HydrophobicContact CB-CB 4.19Å; W105-N469 HydrophobicContact CD2-CB 3.47Å; W105-N469 VanDerWaalsContact CD2-CB 3.47Å; W105-N469 HydrophobicContact CE3-CB 3.7Å; W105-N469 HydrophobicContact CG-CB 3.71Å; W105-N469 HydrophobicContact CZ2-CB 4.4Å; W105-N469 HydrophobicContact CZ3-CB 4.25Å; Q374-N469 PolarHBondContact OE1-ND2 2.85Å; L379-N469 PolarHBondContact N-O 3.27Å; L379-N469 PolarHBondContact O-N 3.31Å
470	G	97	Very high	97.2	Very high	14 Å²	14	26.5 Å²	26.5	14%	0.144	15%	0.152	C	C	.	.	S	Bend	trans	89.6	-174.5	-177.1	0	0	0	0	0	113.9	Q374 Y472 S473	Q374-G470 VanDerWaalsContact O-CA 3.31Å; Q374-G470 WeakPolarHBondContact O-CA 3.32Å; G470-Y472 PolarHBondContact O-N 2.86Å; G470-S473 WeakPolarHBondContact O-CB 3.31Å; G470-S473 PolarHBondContact O-N 3.27Å; G470-S473 VanDerWaalsContact O-N 3.16Å; G470-S473 PolarHBondContact O-OG 3.2Å
471	P	96.1	Very high	97.2	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.039	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	136.4	-176.8	24.9	-36.2	0	0	0	112	K62 P64 Q374 Q375 S473	K62-P471 WeakPolarHBondContact O-CB 3.39Å; P64-P471 HydrophobicContact CB-CG 3.82Å; P64-P471 HydrophobicContact CG-CG 4.48Å; Q374-P471 WeakPolarHBondContact O-CD 3.27Å; Q375-P471 WeakPolarHBondContact O-CG 3.49Å; P471-S473 PolarHBondContact O-N 3.19Å
472	Y	96.6	Very high	97.2	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.016	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	11.3	-177	-65.2	9.6	0	0	0	114.7	F52 Y58 L61 R63 P64 G470 E474 L475 Y491 H503	F52-Y472 AromaticContact CE1-CD1 3.85Å; F52-Y472 HydrophobicContact CE1-CD1 3.85Å; F52-Y472 HydrophobicContact CE1-CD2 4.12Å; F52-Y472 HydrophobicContact CE1-CE1 4.01Å; F52-Y472 HydrophobicContact CE1-CE2 4.26Å; F52-Y472 AromaticContact CE1-CG 3.91Å; F52-Y472 HydrophobicContact CE1-CG 3.91Å; F52-Y472 AromaticContact CZ-CD1 3.65Å; F52-Y472 HydrophobicContact CZ-CD1 3.65Å; F52-Y472 HydrophobicContact CZ-CE1 4.09Å; F52-Y472 AromaticContact CZ-CG 3.93Å; F52-Y472 HydrophobicContact CZ-CG 3.93Å; Y58-Y472 HydrophobicContact CD2-CE1 4.46Å; L61-Y472 HydrophobicContact CB-CD1 4.28Å; L61-Y472 HydrophobicContact CB-CE1 4.3Å; L61-Y472 HydrophobicContact CD1-CD1 4.41Å; R63-Y472 HydrophobicContact CG-CE2 4.16Å; P64-Y472 HydrophobicContact CG-CD2 4.49Å; G470-Y472 PolarHBondContact O-N 2.86Å; Y472-E474 PolarHBondContact O-N 3.44Å; Y472-L475 HydrophobicContact CD2-CD1 4.22Å; Y472-L475 HydrophobicContact CG-CD1 4.47Å; Y472-L475 WeakPolarHBondContact O-CB 3.49Å; Y472-L475 WeakPolarHBondContact O-CG 3.09Å; Y472-L475 PolarHBondContact O-N 2.77Å; Y472-L475 VanDerWaalsContact O-N 3.08Å; Y472-Y491 HydrophobicContact CD2-CD1 4.29Å; Y472-Y491 HydrophobicContact CD2-CE1 4.2Å; Y472-Y491 HydrophobicContact CE2-CD1 4.08Å; Y472-Y491 AromaticContact CE2-CE1 3.71Å; Y472-Y491 HydrophobicContact CE2-CE1 3.71Å; Y472-H503 AromaticContact CE2-CD2 3.89Å; Y472-H503 AromaticContact CE2-NE2 3.99Å; Y472-H503 AromaticContact CZ-CD2 3.94Å; Y472-H503 PolarHBondContact OH-CD2 2.83Å
473	S	96.8	Very high	97.3	Very high	5 Å²	5	20 Å²	20	4%	0.035	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-57.7	-27.8	173	54.2	0	0	0	0	112.9	G470 P471 L475 F476	G470-S473 WeakPolarHBondContact O-CB 3.31Å; G470-S473 PolarHBondContact O-N 3.27Å; G470-S473 VanDerWaalsContact O-N 3.16Å; G470-S473 PolarHBondContact O-OG 3.2Å; P471-S473 PolarHBondContact O-N 3.19Å; S473-L475 PolarHBondContact O-N 3.36Å; S473-L475 VanDerWaalsContact O-N 3.12Å; S473-F476 WeakPolarHBondContact O-CD2 3.4Å; S473-F476 PolarHBondContact O-N 3.37Å
474	E	95.5	Very high	97.3	Very high	53 Å²	53	18 Å²	18	25%	0.248	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-62.6	-17.9	176.9	-60.3	87.6	160.3	0	0	113.4	F52 L61 Y472 F476 H477	F52-E474 HydrophobicContact CD2-CB 4.49Å; F52-E474 HydrophobicContact CE2-CB 4.04Å; L61-E474 WeakPolarHBondContact CD1-OE2 3.21Å; Y472-E474 PolarHBondContact O-N 3.44Å; E474-F476 PolarHBondContact O-N 3.24Å; E474-F476 VanDerWaalsContact O-N 3.12Å; E474-H477 WeakPolarHBondContact O-CB 3.27Å; E474-H477 PolarHBondContact O-CD2 3.14Å; E474-H477 PolarHBondContact O-N 3.25Å
475	L	96.7	Very high	97.3	Very high	6 Å²	6	18 Å²	18	3%	0.031	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-56.9	-26.2	171	-72.6	172.9	0	0	0	112.3	F49 F52 Y472 S473 F484 A488 Y491	F49-L475 HydrophobicContact CD1-CD2 3.78Å; F49-L475 HydrophobicContact CE1-CD1 4.25Å; F49-L475 HydrophobicContact CE1-CD2 4.04Å; F52-L475 HydrophobicContact CB-CD2 3.62Å; F52-L475 HydrophobicContact CD1-CD2 3.42Å; F52-L475 VanDerWaalsContact CD1-CD2 3.42Å; F52-L475 HydrophobicContact CD1-CG 4.03Å; F52-L475 HydrophobicContact CD2-CD2 4.03Å; F52-L475 HydrophobicContact CD2-CG 4.39Å; F52-L475 HydrophobicContact CE1-CD1 4.47Å; F52-L475 HydrophobicContact CE1-CD2 4Å; F52-L475 HydrophobicContact CE1-CG 4.09Å; F52-L475 HydrophobicContact CG-CD2 3.41Å; F52-L475 VanDerWaalsContact CG-CD2 3.41Å; F52-L475 HydrophobicContact CG-CG 4.16Å; F52-L475 HydrophobicContact CZ-CG 4.35Å; Y472-L475 HydrophobicContact CD2-CD1 4.22Å; Y472-L475 HydrophobicContact CG-CD1 4.47Å; Y472-L475 WeakPolarHBondContact O-CB 3.49Å; Y472-L475 WeakPolarHBondContact O-CG 3.09Å; Y472-L475 PolarHBondContact O-N 2.77Å; Y472-L475 VanDerWaalsContact O-N 3.08Å; S473-L475 PolarHBondContact O-N 3.36Å; S473-L475 VanDerWaalsContact O-N 3.12Å; L475-F484 HydrophobicContact CB-CE1 4.14Å; L475-F484 HydrophobicContact CB-CZ 4.32Å; L475-F484 HydrophobicContact CD2-CZ 4.27Å; L475-F484 WeakPolarHBondContact O-CE1 3.47Å; L475-A488 HydrophobicContact CD1-CB 4.13Å; L475-Y491 HydrophobicContact CD1-CD1 4.37Å
476	F	97.7	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-99.8	9	-173.7	-56.9	-87.1	0	0	0	113.7	V107 S109 L378 L380 I466 A468 S473 E474 S478 L480 F484 I485 A488	V107-F476 VanDerWaalsContact CG1-C 3.5Å; V107-F476 HydrophobicContact CG1-CB 3.98Å; V107-F476 WeakPolarHBondContact CG1-O 3.38Å; S109-F476 WeakPolarHBondContact CB-O 3.45Å; S109-F476 PolarHBondContact OG-O 3.3Å; L378-F476 HydrophobicContact CD1-CE2 4.42Å; L378-F476 HydrophobicContact CD2-CE2 4.15Å; L380-F476 HydrophobicContact CD1-CE1 4.07Å; L380-F476 HydrophobicContact CD1-CE2 4.09Å; L380-F476 HydrophobicContact CD1-CZ 3.57Å; L380-F476 HydrophobicContact CD2-CD1 4.31Å; L380-F476 HydrophobicContact CD2-CD2 3.67Å; L380-F476 HydrophobicContact CD2-CE1 4.14Å; L380-F476 HydrophobicContact CD2-CE2 3.5Å; L380-F476 VanDerWaalsContact CD2-CE2 3.5Å; L380-F476 HydrophobicContact CD2-CG 4.09Å; L380-F476 HydrophobicContact CD2-CZ 3.73Å; L380-F476 HydrophobicContact CG-CE2 4.42Å; L380-F476 HydrophobicContact CG-CZ 4.32Å; I466-F476 HydrophobicContact CD1-CD1 3.5Å; I466-F476 HydrophobicContact CD1-CE1 3.92Å; I466-F476 HydrophobicContact CD1-CG 4.31Å; I466-F476 HydrophobicContact CG1-CD1 4.34Å; A468-F476 HydrophobicContact CB-CB 3.99Å; A468-F476 HydrophobicContact CB-CD2 3.91Å; A468-F476 HydrophobicContact CB-CG 4.16Å; S473-F476 WeakPolarHBondContact O-CD2 3.4Å; S473-F476 PolarHBondContact O-N 3.37Å; E474-F476 PolarHBondContact O-N 3.24Å; E474-F476 VanDerWaalsContact O-N 3.12Å; F476-S478 PolarHBondContact O-N 2.76Å; F476-S478 VanDerWaalsContact O-N 3.1Å; F476-L480 HydrophobicContact CB-CD2 4.24Å; F476-L480 HydrophobicContact CD1-CD2 3.83Å; F476-L480 HydrophobicContact CG-CD2 4.47Å; F476-F484 HydrophobicContact CE1-CD1 4.48Å; F476-I485 HydrophobicContact CE1-CG1 4.22Å; F476-A488 HydrophobicContact CE1-CB 4.11Å; F476-A488 HydrophobicContact CE2-CB 4.21Å; F476-A488 HydrophobicContact CZ-CB 3.52Å
477	H	95.1	Very high	97.3	Very high	128 Å²	128	18 Å²	18	59%	0.593	10%	0.1	S	C	*	.	S	Bend	trans	-69.3	-6.4	-172.5	82.5	102.2	0	0	0	116.3	V107 E474	V107-H477 HydrophobicContact CG1-CB 4.42Å; E474-H477 WeakPolarHBondContact O-CB 3.27Å; E474-H477 PolarHBondContact O-CD2 3.14Å; E474-H477 PolarHBondContact O-N 3.25Å
478	S	95.1	Very high	97.3	Very high	35 Å²	35	17.1 Å²	17.1	25%	0.245	10%	0.096	C	C	.	.	S	Bend	trans	-140.7	155.3	-174.7	52.4	0	0	0	0	111.3	R48 S109 F476 L480	R48-S478 PolarHBondContact NH1-OG 2.84Å; R48-S478 PolarHBondContact NH2-OG 3.37Å; S109-S478 WeakPolarHBondContact OG-CA 3.36Å; S109-S478 PolarHBondContact OG-N 3.28Å; S109-S478 PolarHBondContact OG-O 2.64Å; S109-S478 VanDerWaalsContact OG-O 3.04Å; F476-S478 PolarHBondContact O-N 2.76Å; F476-S478 VanDerWaalsContact O-N 3.1Å; S478-L480 WeakPolarHBondContact O-CD2 3.41Å; S478-L480 PolarHBondContact O-N 2.91Å
479	S	95.7	Very high	97.3	Very high	61 Å²	61	17.1 Å²	17.1	43%	0.427	10%	0.097	S	C	.	.			trans	-55.2	131.5	-176.3	172.6	0	0	0	0	111.6	R48 S109 L110	R48-S479 PolarHBondContact NH2-O 2.79Å; S109-S479 PolarHBondContact OG-N 2.75Å; L110-S479 VanDerWaalsContact O-CA 3.26Å; L110-S479 WeakPolarHBondContact O-CA 3.35Å
480	L	96.5	Very high	97.4	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	165.5	-169.4	58.8	97.2	0	0	0	112.3	L110 V111 R112 I466 F476 S478 F484 I485	L110-L480 PolarHBondContact O-N 3.3Å; V111-L480 WeakPolarHBondContact CA-O 3.39Å; V111-L480 HydrophobicContact CB-CD1 4.37Å; V111-L480 HydrophobicContact CG1-CD1 4Å; V111-L480 HydrophobicContact CG2-CD1 3.69Å; V111-L480 HydrophobicContact CG2-CG 4.07Å; R112-L480 PolarHBondContact N-O 3.4Å; I466-L480 HydrophobicContact CG2-CD2 4.41Å; F476-L480 HydrophobicContact CB-CD2 4.24Å; F476-L480 HydrophobicContact CD1-CD2 3.83Å; F476-L480 HydrophobicContact CG-CD2 4.47Å; S478-L480 WeakPolarHBondContact O-CD2 3.41Å; S478-L480 PolarHBondContact O-N 2.91Å; L480-F484 HydrophobicContact CB-CB 4.47Å; L480-F484 HydrophobicContact CB-CD1 4.37Å; L480-F484 HydrophobicContact CD1-CB 4.22Å; L480-F484 HydrophobicContact CD1-CD1 4.32Å; L480-F484 HydrophobicContact CD2-CD1 4.13Å; L480-I485 HydrophobicContact CD1-CG1 4.19Å
481	D	97.7	Very high	97.4	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.032	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	143.7	168.8	-165.1	-97.3	0	0	0	109.7	W41 R112 K135 T483 F484	W41-D481 HydrophobicContact CE3-CB 4.36Å; W41-D481 HydrophobicContact CZ3-CB 3.92Å; R112-D481 IonicContact CZ-OD2 2.79Å; R112-D481 IonicContact NH1-OD2 3.12Å; R112-D481 PolarHBondContact NH1-OD2 3.07Å; R112-D481 VanDerWaalsContact NH2-CB 3.29Å; R112-D481 IonicContact NH2-OD2 2.57Å; K135-D481 WeakPolarHBondContact CE-OD1 3.41Å; K135-D481 VanDerWaalsContact CE-OD2 3.3Å; K135-D481 WeakPolarHBondContact CE-OD2 3.21Å; K135-D481 IonicContact NZ-OD1 3.67Å; K135-D481 PolarHBondContact NZ-OD1 3.19Å; K135-D481 IonicContact NZ-OD2 3.16Å; K135-D481 PolarHBondContact NZ-OD2 3.27Å; D481-T483 PolarHBondContact O-N 3.31Å; D481-T483 VanDerWaalsContact O-N 3.09Å; D481-T483 VanDerWaalsContact OD1-CB 3.29Å; D481-T483 WeakPolarHBondContact OD1-CB 3.19Å; D481-T483 WeakPolarHBondContact OD1-CG2 3.49Å; D481-T483 PolarHBondContact OD1-N 3.32Å; D481-T483 PolarHBondContact OD1-OG1 3.04Å; D481-F484 VanDerWaalsContact O-CB 3.31Å; D481-F484 WeakPolarHBondContact O-CB 3.45Å; D481-F484 PolarHBondContact O-N 2.94Å
482	N	98.4	Very high	97.5	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.011	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.5	176.6	61.4	-5.5	0	0	0	113.7	V111 R112 T113 A129 F130 K135 F484 I485	V111-N482 VanDerWaalsContact CG1-CA 3.48Å; V111-N482 HydrophobicContact CG1-CB 3.58Å; R112-N482 PolarHBondContact O-N 3.28Å; T113-N482 WeakPolarHBondContact CA-ND2 3.1Å; T113-N482 PolarHBondContact O-ND2 3.26Å; A129-N482 HydrophobicContact CB-CB 4.46Å; A129-N482 VanDerWaalsContact CB-OD1 3.26Å; A129-N482 WeakPolarHBondContact CB-OD1 3.49Å; F130-N482 VanDerWaalsContact CA-O 3.27Å; F130-N482 WeakPolarHBondContact CA-O 3.25Å; F130-N482 HydrophobicContact CB-CB 4.47Å; K135-N482 PolarHBondContact NZ-OD1 2.92Å; N482-F484 PolarHBondContact O-N 2.67Å; N482-I485 HydrophobicContact CB-CD1 4.43Å; N482-I485 WeakPolarHBondContact O-CB 3.39Å; N482-I485 PolarHBondContact O-N 2.87Å
483	T	98.6	Very high	97.5	Very high	4 Å²	4	15 Å²	15	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-57.3	-32.5	171.2	54.2	0	0	0	0	113.6	W41 A129 G133 K135 D481 I485 A486 H487	W41-T483 HydrophobicContact CB-CG2 4.37Å; W41-T483 HydrophobicContact CD2-CG2 3.88Å; W41-T483 HydrophobicContact CE3-CG2 4.14Å; W41-T483 HydrophobicContact CG-CG2 3.96Å; A129-T483 HydrophobicContact CB-CG2 3.84Å; A129-T483 WeakPolarHBondContact O-CA 3.38Å; G133-T483 WeakPolarHBondContact CA-O 3.18Å; K135-T483 HydrophobicContact CD-CG2 3.89Å; K135-T483 HydrophobicContact CG-CG2 4.12Å; D481-T483 PolarHBondContact O-N 3.31Å; D481-T483 VanDerWaalsContact O-N 3.09Å; D481-T483 VanDerWaalsContact OD1-CB 3.29Å; D481-T483 WeakPolarHBondContact OD1-CB 3.19Å; D481-T483 WeakPolarHBondContact OD1-CG2 3.49Å; D481-T483 PolarHBondContact OD1-N 3.32Å; D481-T483 PolarHBondContact OD1-OG1 3.04Å; T483-I485 PolarHBondContact O-N 2.77Å; T483-A486 PolarHBondContact O-N 2.89Å; T483-H487 PolarHBondContact O-CD2 3.41Å; T483-H487 PolarHBondContact O-N 3.06Å
484	F	98.7	Very high	97.5	Very high	7 Å²	7	15.8 Å²	15.8	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-65	-25.3	-178.1	-177.1	-106.2	0	0	0	112.6	A45 R48 F49 L475 F476 L480 D481 N482 A486 H487 A488	A45-F484 HydrophobicContact CB-CD2 3.76Å; A45-F484 HydrophobicContact CB-CE2 4.05Å; R48-F484 HydrophobicContact CB-CD2 4.4Å; R48-F484 HydrophobicContact CB-CE2 3.57Å; R48-F484 HydrophobicContact CB-CZ 3.82Å; R48-F484 HydrophobicContact CG-CE2 4.19Å; R48-F484 HydrophobicContact CG-CZ 4.47Å; F49-F484 HydrophobicContact CD1-CE2 4.27Å; F49-F484 HydrophobicContact CD1-CZ 4.3Å; F49-F484 AromaticContact CE1-CE2 3.6Å; F49-F484 HydrophobicContact CE1-CE2 3.6Å; F49-F484 AromaticContact CE1-CZ 3.68Å; F49-F484 HydrophobicContact CE1-CZ 3.68Å; F49-F484 AromaticContact CZ-CE2 3.75Å; F49-F484 HydrophobicContact CZ-CE2 3.75Å; F49-F484 HydrophobicContact CZ-CZ 4.26Å; L475-F484 HydrophobicContact CB-CE1 4.14Å; L475-F484 HydrophobicContact CB-CZ 4.32Å; L475-F484 HydrophobicContact CD2-CZ 4.27Å; L475-F484 WeakPolarHBondContact O-CE1 3.47Å; F476-F484 HydrophobicContact CE1-CD1 4.48Å; L480-F484 HydrophobicContact CB-CB 4.47Å; L480-F484 HydrophobicContact CB-CD1 4.37Å; L480-F484 HydrophobicContact CD1-CB 4.22Å; L480-F484 HydrophobicContact CD1-CD1 4.32Å; L480-F484 HydrophobicContact CD2-CD1 4.13Å; D481-F484 VanDerWaalsContact O-CB 3.31Å; D481-F484 WeakPolarHBondContact O-CB 3.45Å; D481-F484 PolarHBondContact O-N 2.94Å; N482-F484 PolarHBondContact O-N 2.67Å; F484-A486 VanDerWaalsContact C-N 3.33Å; F484-A486 PolarHBondContact O-N 3.2Å; F484-H487 PolarHBondContact O-N 3.34Å; F484-A488 HydrophobicContact CD1-CB 4.26Å; F484-A488 HydrophobicContact CE1-CB 3.93Å; F484-A488 HydrophobicContact CZ-CB 4.13Å; F484-A488 WeakPolarHBondContact O-CB 3.35Å; F484-A488 PolarHBondContact O-N 3.5Å
485	I	98.9	Very high	97.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-44.4	178.3	-62	164.8	0	0	0	110.8	L69 V111 F130 L380 T382 I466 F476 L480 N482 T483 T489	L69-I485 HydrophobicContact CD1-CG2 4.1Å; L69-I485 HydrophobicContact CD2-CG2 4.02Å; V111-I485 HydrophobicContact CG1-CD1 4.37Å; F130-I485 HydrophobicContact CB-CB 4.01Å; F130-I485 HydrophobicContact CB-CD1 3.82Å; F130-I485 HydrophobicContact CB-CG2 4.23Å; L380-I485 HydrophobicContact CD1-CG2 4.28Å; T382-I485 HydrophobicContact CG2-CD1 4.12Å; I466-I485 HydrophobicContact CD1-CD1 4Å; I466-I485 HydrophobicContact CD1-CG1 3.94Å; F476-I485 HydrophobicContact CE1-CG1 4.22Å; L480-I485 HydrophobicContact CD1-CG1 4.19Å; N482-I485 HydrophobicContact CB-CD1 4.43Å; N482-I485 WeakPolarHBondContact O-CB 3.39Å; N482-I485 PolarHBondContact O-N 2.87Å; T483-I485 PolarHBondContact O-N 2.77Å; I485-T489 WeakPolarHBondContact O-CB 3.31Å; I485-T489 PolarHBondContact O-N 3.06Å; I485-T489 PolarHBondContact O-OG1 3.13Å
486	A	98.8	Very high	97.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.6	-45.4	177.5	0	0	0	0	0	111.8	F130 M131 T483 F484 T489 M490	F130-A486 WeakPolarHBondContact O-CA 3.46Å; F130-A486 WeakPolarHBondContact O-CB 3.36Å; F130-A486 PolarHBondContact O-N 2.92Å; M131-A486 WeakPolarHBondContact O-CB 3.5Å; T483-A486 PolarHBondContact O-N 2.89Å; F484-A486 VanDerWaalsContact C-N 3.33Å; F484-A486 PolarHBondContact O-N 3.2Å; A486-T489 WeakPolarHBondContact O-CB 3.45Å; A486-T489 PolarHBondContact O-N 3.06Å; A486-M490 HydrophobicContact CB-CE 4.43Å; A486-M490 WeakPolarHBondContact O-CG 3.48Å; A486-M490 PolarHBondContact O-N 3.26Å
487	H	98.8	Very high	97.5	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-46.6	177.9	-73.8	-74.9	0	0	0	111.3	A45 F49 G133 T483 F484 T489 M490 Y491 Y498	A45-H487 HydrophobicContact CB-CB 3.49Å; A45-H487 VanDerWaalsContact CB-CB 3.49Å; F49-H487 HydrophobicContact CE2-CB 4.3Å; F49-H487 HydrophobicContact CZ-CB 4.03Å; G133-H487 PolarHBondContact O-NE2 2.84Å; G133-H487 VanDerWaalsContact O-NE2 3.1Å; T483-H487 PolarHBondContact O-CD2 3.41Å; T483-H487 PolarHBondContact O-N 3.06Å; F484-H487 PolarHBondContact O-N 3.34Å; H487-T489 VanDerWaalsContact C-N 3.32Å; H487-T489 PolarHBondContact O-N 3.16Å; H487-M490 PolarHBondContact O-N 2.86Å; H487-Y491 VanDerWaalsContact O-CB 3.27Å; H487-Y491 WeakPolarHBondContact O-CB 3.13Å; H487-Y491 PolarHBondContact O-N 3.43Å; H487-Y498 HydrophobicContact CB-CE2 4.03Å; H487-Y498 AromaticContact ND1-CE2 3.48Å; H487-Y498 WeakPolarHBondContact ND1-CE2 3.46Å; H487-Y498 AromaticContact ND1-CZ 3.59Å; H487-Y498 PolarHBondContact ND1-OH 3.05Å
488	A	98.6	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-39.9	177.7	0	0	0	0	0	111.4	F49 L475 F476 F484 S492	F49-A488 HydrophobicContact CE1-CB 4.33Å; L475-A488 HydrophobicContact CD1-CB 4.13Å; F476-A488 HydrophobicContact CE1-CB 4.11Å; F476-A488 HydrophobicContact CE2-CB 4.21Å; F476-A488 HydrophobicContact CZ-CB 3.52Å; F484-A488 HydrophobicContact CD1-CB 4.26Å; F484-A488 HydrophobicContact CE1-CB 3.93Å; F484-A488 HydrophobicContact CZ-CB 4.13Å; F484-A488 WeakPolarHBondContact O-CB 3.35Å; F484-A488 PolarHBondContact O-N 3.5Å; A488-S492 WeakPolarHBondContact O-CB 3.13Å; A488-S492 PolarHBondContact O-N 3.38Å; A488-S492 PolarHBondContact O-OG 2.79Å
489	T	98.8	Very high	97.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-60.4	-49.8	173.7	-62.9	0	0	0	0	111.3	V67 L334 I485 A486 H487 S492 L493	V67-T489 HydrophobicContact CB-CG2 4.46Å; V67-T489 HydrophobicContact CG1-CG2 4.13Å; V67-T489 HydrophobicContact CG2-CG2 4.45Å; L334-T489 HydrophobicContact CD1-CG2 3.66Å; L334-T489 HydrophobicContact CD2-CG2 3.88Å; L334-T489 HydrophobicContact CG-CG2 4.44Å; I485-T489 WeakPolarHBondContact O-CB 3.31Å; I485-T489 PolarHBondContact O-N 3.06Å; I485-T489 PolarHBondContact O-OG1 3.13Å; A486-T489 WeakPolarHBondContact O-CB 3.45Å; A486-T489 PolarHBondContact O-N 3.06Å; H487-T489 VanDerWaalsContact C-N 3.32Å; H487-T489 PolarHBondContact O-N 3.16Å; T489-S492 PolarHBondContact O-N 3.15Å; T489-L493 HydrophobicContact CG2-CD1 4.31Å; T489-L493 PolarHBondContact O-N 3.09Å
490	M	98.7	Very high	97.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.2	-40.5	-179.5	-70.2	-173.7	-74.9	0	0	112.7	Y167 A486 H487 L493 C494 I495 Y498	Y167-M490 HydrophobicContact CD2-SD 3.52Å; Y167-M490 VanDerWaalsContact CD2-SD 3.52Å; Y167-M490 HydrophobicContact CE2-SD 3.87Å; Y167-M490 HydrophobicContact CG-SD 4.31Å; A486-M490 HydrophobicContact CB-CE 4.43Å; A486-M490 WeakPolarHBondContact O-CG 3.48Å; A486-M490 PolarHBondContact O-N 3.26Å; H487-M490 PolarHBondContact O-N 2.86Å; M490-L493 PolarHBondContact O-N 2.97Å; M490-C494 PolarHBondContact O-N 2.52Å; M490-I495 HydrophobicContact CB-CG1 4Å; M490-I495 HydrophobicContact CG-CD1 4.3Å; M490-I495 HydrophobicContact CG-CG1 4.01Å; M490-I495 PolarHBondContact O-N 2.91Å; M490-Y498 HydrophobicContact CB-CD2 3.67Å; M490-Y498 HydrophobicContact CB-CE2 4.29Å; M490-Y498 HydrophobicContact CE-CE2 4.49Å
491	Y	98	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-42.9	173.7	176	-88.2	0	0	0	111.9	F49 F52 E53 Y472 L475 H487 L493 C494 Y498 Q501 H503	F49-Y491 HydrophobicContact CB-CD2 4.28Å; F49-Y491 HydrophobicContact CB-CE2 3.87Å; F49-Y491 AromaticContact CD1-CD1 3.93Å; F49-Y491 HydrophobicContact CD1-CD1 3.93Å; F49-Y491 AromaticContact CD1-CD2 3.96Å; F49-Y491 HydrophobicContact CD1-CD2 3.96Å; F49-Y491 HydrophobicContact CD1-CE1 4.15Å; F49-Y491 HydrophobicContact CD1-CE2 4.17Å; F49-Y491 AromaticContact CD1-CG 3.84Å; F49-Y491 HydrophobicContact CD1-CG 3.84Å; F49-Y491 AromaticContact CD2-CD2 3.67Å; F49-Y491 HydrophobicContact CD2-CD2 3.67Å; F49-Y491 HydrophobicContact CD2-CE2 4.13Å; F49-Y491 HydrophobicContact CD2-CG 4.15Å; F49-Y491 AromaticContact CE1-CD1 3.98Å; F49-Y491 HydrophobicContact CE1-CD1 3.98Å; F49-Y491 HydrophobicContact CE1-CD2 4.25Å; F49-Y491 AromaticContact CE1-CG 3.77Å; F49-Y491 HydrophobicContact CE1-CG 3.77Å; F49-Y491 AromaticContact CE2-CD2 3.97Å; F49-Y491 HydrophobicContact CE2-CD2 3.97Å; F49-Y491 HydrophobicContact CE2-CG 4.08Å; F49-Y491 HydrophobicContact CG-CD1 4.48Å; F49-Y491 AromaticContact CG-CD2 3.69Å; F49-Y491 HydrophobicContact CG-CD2 3.69Å; F49-Y491 AromaticContact CG-CE2 3.8Å; F49-Y491 HydrophobicContact CG-CE2 3.8Å; F49-Y491 HydrophobicContact CG-CG 4.07Å; F49-Y491 HydrophobicContact CZ-CD2 4.26Å; F49-Y491 AromaticContact CZ-CG 3.91Å; F49-Y491 HydrophobicContact CZ-CG 3.91Å; F52-Y491 HydrophobicContact CD1-CE1 4.39Å; F52-Y491 HydrophobicContact CE1-CE1 4.47Å; E53-Y491 WeakPolarHBondContact CG-OH 3.07Å; E53-Y491 PolarHBondContact OE1-OH 2.92Å; Y472-Y491 HydrophobicContact CD2-CD1 4.29Å; Y472-Y491 HydrophobicContact CD2-CE1 4.2Å; Y472-Y491 HydrophobicContact CE2-CD1 4.08Å; Y472-Y491 AromaticContact CE2-CE1 3.71Å; Y472-Y491 HydrophobicContact CE2-CE1 3.71Å; L475-Y491 HydrophobicContact CD1-CD1 4.37Å; H487-Y491 VanDerWaalsContact O-CB 3.27Å; H487-Y491 WeakPolarHBondContact O-CB 3.13Å; H487-Y491 PolarHBondContact O-N 3.43Å; Y491-L493 VanDerWaalsContact C-N 3.34Å; Y491-L493 PolarHBondContact O-N 3.02Å; Y491-C494 PolarHBondContact O-N 3.22Å; Y491-Y498 HydrophobicContact CD2-CD1 4.07Å; Y491-Y498 HydrophobicContact CD2-CG 4.42Å; Y491-Q501 HydrophobicContact CD2-CG 3.93Å; Y491-Q501 HydrophobicContact CE2-CB 4.37Å; Y491-Q501 HydrophobicContact CE2-CG 4.03Å; Y491-H503 AromaticContact CD1-CE1 3.98Å; Y491-H503 AromaticContact CD1-NE2 3.89Å; Y491-H503 AromaticContact CD2-CE1 3.76Å; Y491-H503 AromaticContact CE1-CE1 3.51Å; Y491-H503 AromaticContact CE1-NE2 3.62Å; Y491-H503 AromaticContact CE2-CE1 3.28Å; Y491-H503 WeakPolarHBondContact CE2-CE1 3.35Å; Y491-H503 AromaticContact CZ-CE1 3.12Å; Y491-H503 AromaticContact CZ-ND1 3.7Å; Y491-H503 AromaticContact CZ-NE2 3.75Å; Y491-H503 PolarHBondContact O-NE2 3.35Å; Y491-H503 PolarHBondContact OH-CE1 2.73Å
492	S	97.5	Very high	96.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-35.9	178.9	-64.2	0	0	0	0	112.1	R63 A488 T489	R63-S492 WeakPolarHBondContact CD-O 3.45Å; R63-S492 WeakPolarHBondContact CG-O 2.92Å; R63-S492 PolarHBondContact NH1-O 3.05Å; A488-S492 WeakPolarHBondContact O-CB 3.13Å; A488-S492 PolarHBondContact O-N 3.38Å; A488-S492 PolarHBondContact O-OG 2.79Å; T489-S492 PolarHBondContact O-N 3.15Å
493	L	97.7	Very high	96.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-94.1	-3.9	-179.4	-67.3	179.7	0	0	0	114.6	R63 K65 V67 F173 L334 T489 M490 Y491 I495	R63-L493 PolarHBondContact NH1-O 2.92Å; K65-L493 WeakPolarHBondContact O-CD2 3.21Å; V67-L493 HydrophobicContact CB-CD1 4.21Å; V67-L493 HydrophobicContact CG2-CD1 3.87Å; V67-L493 HydrophobicContact CG2-CD2 3.86Å; V67-L493 HydrophobicContact CG2-CG 3.7Å; F173-L493 HydrophobicContact CD1-CD2 4.49Å; F173-L493 HydrophobicContact CE1-CB 4.49Å; F173-L493 HydrophobicContact CE1-CD2 3.89Å; F173-L493 HydrophobicContact CZ-CB 4.26Å; F173-L493 HydrophobicContact CZ-CD2 4.4Å; F173-L493 WeakPolarHBondContact CZ-O 3.46Å; L334-L493 HydrophobicContact CB-CD1 3.95Å; L334-L493 HydrophobicContact CD1-CD1 4.41Å; L334-L493 HydrophobicContact CD2-CD1 4.45Å; L334-L493 HydrophobicContact CG-CD1 4.49Å; T489-L493 HydrophobicContact CG2-CD1 4.31Å; T489-L493 PolarHBondContact O-N 3.09Å; M490-L493 PolarHBondContact O-N 2.97Å; Y491-L493 VanDerWaalsContact C-N 3.34Å; Y491-L493 PolarHBondContact O-N 3.02Å; L493-I495 HydrophobicContact CB-CD1 3.93Å; L493-I495 HydrophobicContact CB-CG1 3.95Å; L493-I495 HydrophobicContact CB-CG2 4.22Å; L493-I495 HydrophobicContact CD1-CD1 4.13Å
494	C	97.1	Very high	96	Very high	21 Å²	21	24.3 Å²	24.3	14%	0.142	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	48.9	-175.4	-66.4	0	0	0	0	112.9	R63 M490 Y491 C504	R63-C494 WeakPolarHBondContact CD-SG 2.93Å; M490-C494 PolarHBondContact O-N 2.52Å; Y491-C494 PolarHBondContact O-N 3.22Å; C494-C504 HydrophobicContact CB-CB 3.64Å; C494-C504 WeakPolarHBondContact CB-SG 3.37Å; C494-C504 WeakPolarHBondContact SG-CA 3.4Å; C494-C504 WeakPolarHBondContact SG-CB 3.18Å; C494-C504 CovalentContact SG-SG 2.02Å; C494-C504 PolarHBondContact SG-SG 2.67Å
495	I	97.9	Very high	95.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	17%	0.168	C	C	.	.			trans	-127.9	167.2	-177.2	60	175.9	0	0	0	111	A168 A171 F173 M490 L493 L497 Y498	A168-I495 HydrophobicContact CB-CD1 3.69Å; A171-I495 HydrophobicContact CB-CB 4.38Å; A171-I495 HydrophobicContact CB-CG2 3.58Å; F173-I495 HydrophobicContact CD2-CG2 3.88Å; F173-I495 HydrophobicContact CE2-CG2 3.49Å; F173-I495 VanDerWaalsContact CE2-CG2 3.49Å; F173-I495 HydrophobicContact CZ-CG2 4.37Å; M490-I495 HydrophobicContact CB-CG1 4Å; M490-I495 HydrophobicContact CG-CD1 4.3Å; M490-I495 HydrophobicContact CG-CG1 4.01Å; M490-I495 PolarHBondContact O-N 2.91Å; L493-I495 HydrophobicContact CB-CD1 3.93Å; L493-I495 HydrophobicContact CB-CG1 3.95Å; L493-I495 HydrophobicContact CB-CG2 4.22Å; L493-I495 HydrophobicContact CD1-CD1 4.13Å; I495-L497 PolarHBondContact O-N 3.18Å; I495-Y498 PolarHBondContact O-N 2.87Å; I495-Y498 VanDerWaalsContact O-N 3.1Å
496	G	96.5	Very high	93.6	Very high	23 Å²	23	37.4 Å²	37.4	24%	0.237	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	58	-121.1	175.7	0	0	0	0	0	112.2	Y498	G496-Y498 PolarHBondContact O-N 3.07Å
497	L	95.7	Very high	91.3	Very high	84 Å²	84	41.2 Å²	41.2	44%	0.44	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-71.9	-7.5	-177.7	-58.1	175.4	0	0	0	114.2	K42 I495	K42-L497 HydrophobicContact CD-CD1 4.26Å; K42-L497 HydrophobicContact CG-CD1 4.5Å; I495-L497 PolarHBondContact O-N 3.18Å
498	Y	97	Very high	88.6	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.008	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-124.7	30.7	-168	-60.2	-72.4	0	0	0	113.6	D46 F49 H487 M490 Y491 I495 G496 D500 Q501 C504	D46-Y498 VanDerWaalsContact OD1-CE1 3.26Å; D46-Y498 WeakPolarHBondContact OD1-CE1 3.14Å; D46-Y498 PolarHBondContact OD1-OH 2.9Å; D46-Y498 VanDerWaalsContact OD1-OH 3.11Å; F49-Y498 AromaticContact CD2-CE1 3.98Å; F49-Y498 HydrophobicContact CD2-CE1 3.98Å; F49-Y498 HydrophobicContact CE2-CD1 4.39Å; F49-Y498 AromaticContact CE2-CE1 3.66Å; F49-Y498 HydrophobicContact CE2-CE1 3.66Å; F49-Y498 HydrophobicContact CE2-CE2 4.24Å; F49-Y498 AromaticContact CE2-CZ 3.58Å; H487-Y498 HydrophobicContact CB-CE2 4.03Å; H487-Y498 AromaticContact ND1-CE2 3.48Å; H487-Y498 WeakPolarHBondContact ND1-CE2 3.46Å; H487-Y498 AromaticContact ND1-CZ 3.59Å; H487-Y498 PolarHBondContact ND1-OH 3.05Å; M490-Y498 HydrophobicContact CB-CD2 3.67Å; M490-Y498 HydrophobicContact CB-CE2 4.29Å; M490-Y498 HydrophobicContact CE-CE2 4.49Å; Y491-Y498 HydrophobicContact CD2-CD1 4.07Å; Y491-Y498 HydrophobicContact CD2-CG 4.42Å; I495-Y498 PolarHBondContact O-N 2.87Å; I495-Y498 VanDerWaalsContact O-N 3.1Å; G496-Y498 PolarHBondContact O-N 3.07Å; Y498-D500 VanDerWaalsContact C-N 3.31Å; Y498-Q501 HydrophobicContact CD1-CG 4.07Å; Y498-Q501 HydrophobicContact CG-CG 4.44Å; Y498-Q501 WeakPolarHBondContact O-CG 3.35Å; Y498-C504 PolarHBondContact O-SG 2.89Å; Y498-C504 VanDerWaalsContact O-SG 3.36Å
499	T	95.6	Very high	86	Confident	70 Å²	70	50.1 Å²	50.1	43%	0.429	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-30	175.8	52.4	0	0	0	0	113.2	C504	T499-C504 VanDerWaalsContact O-CB 3.3Å; T499-C504 WeakPolarHBondContact O-CB 3.39Å
500	D	92.3	Very high	83.1	Confident	146 Å²	146	52.5 Å²	52.5	78%	0.781	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	21.4	-169.3	-49.5	-24.9	0	0	0	112.6	Y498	Y498-D500 VanDerWaalsContact C-N 3.31Å
501	Q	91.5	Very high	80.5	Confident	51 Å²	51	56.6 Å²	56.6	24%	0.238	35%	0.348	C	S	.	.	S	Bend	trans	-75.8	151.4	178.7	-54.9	-62.6	-60.1	0	0	110.9	Y491 Y498 H503 C504	Y491-Q501 HydrophobicContact CD2-CG 3.93Å; Y491-Q501 HydrophobicContact CE2-CB 4.37Å; Y491-Q501 HydrophobicContact CE2-CG 4.03Å; Y498-Q501 HydrophobicContact CD1-CG 4.07Å; Y498-Q501 HydrophobicContact CG-CG 4.44Å; Y498-Q501 WeakPolarHBondContact O-CG 3.35Å; Q501-H503 WeakPolarHBondContact CB-CE1 3.5Å; Q501-H503 WeakPolarHBondContact CB-ND1 3.48Å; Q501-H503 PolarHBondContact O-N 3.14Å; Q501-C504 VanDerWaalsContact O-CB 3.24Å; Q501-C504 WeakPolarHBondContact O-CB 3.4Å; Q501-C504 PolarHBondContact O-N 3.1Å
502	S	87.7	Confident	78.2	Confident	59 Å²	59	59.3 Å²	59.3	41%	0.413	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.5	-174.5	71.6	0	0	0	0	114.8	R512	S502-R512 PolarHBondContact O-NH2 3.24Å
503	H	88.7	Confident	75.6	Confident	17 Å²	17	62.8 Å²	62.8	8%	0.079	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.4	176.6	65.1	-67.2	0	0	0	114.2	Y472 Y491 Q501	Y472-H503 AromaticContact CE2-CD2 3.89Å; Y472-H503 AromaticContact CE2-NE2 3.99Å; Y472-H503 AromaticContact CZ-CD2 3.94Å; Y472-H503 PolarHBondContact OH-CD2 2.83Å; Y491-H503 AromaticContact CD1-CE1 3.98Å; Y491-H503 AromaticContact CD1-NE2 3.89Å; Y491-H503 AromaticContact CD2-CE1 3.76Å; Y491-H503 AromaticContact CE1-CE1 3.51Å; Y491-H503 AromaticContact CE1-NE2 3.62Å; Y491-H503 AromaticContact CE2-CE1 3.28Å; Y491-H503 WeakPolarHBondContact CE2-CE1 3.35Å; Y491-H503 AromaticContact CZ-CE1 3.12Å; Y491-H503 AromaticContact CZ-ND1 3.7Å; Y491-H503 AromaticContact CZ-NE2 3.75Å; Y491-H503 PolarHBondContact O-NE2 3.35Å; Y491-H503 PolarHBondContact OH-CE1 2.73Å; Q501-H503 WeakPolarHBondContact CB-CE1 3.5Å; Q501-H503 WeakPolarHBondContact CB-ND1 3.48Å; Q501-H503 PolarHBondContact O-N 3.14Å
504	C	90.7	Very high	72.9	Confident	23 Å²	23	66.8 Å²	66.8	16%	0.155	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-18.4	174.8	-58.1	0	0	0	0	112.9	C494 Y498 T499 Q501 E506	C494-C504 HydrophobicContact CB-CB 3.64Å; C494-C504 WeakPolarHBondContact CB-SG 3.37Å; C494-C504 WeakPolarHBondContact SG-CA 3.4Å; C494-C504 WeakPolarHBondContact SG-CB 3.18Å; C494-C504 CovalentContact SG-SG 2.02Å; C494-C504 PolarHBondContact SG-SG 2.67Å; Y498-C504 PolarHBondContact O-SG 2.89Å; Y498-C504 VanDerWaalsContact O-SG 3.36Å; T499-C504 VanDerWaalsContact O-CB 3.3Å; T499-C504 WeakPolarHBondContact O-CB 3.39Å; Q501-C504 VanDerWaalsContact O-CB 3.24Å; Q501-C504 WeakPolarHBondContact O-CB 3.4Å; Q501-C504 PolarHBondContact O-N 3.1Å; C504-E506 PolarHBondContact O-N 2.96Å
505	D	83.5	Confident	70	Confident	108 Å²	108	68.7 Å²	68.7	58%	0.578	43%	0.428	S	S	*	.			trans	-70.1	109.9	175.5	-66.7	-30	0	0	0	110.9	G507 N508	D505-G507 PolarHBondContact O-N 3.31Å; D505-N508 PolarHBondContact O-N 2.91Å; D505-N508 VanDerWaalsContact O-N 3.07Å
506	E	63.8	Low	67.3	Low	174 Å²	174	71.5 Å²	71.5	81%	0.813	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-55.5	-20.8	-177.5	-68.1	-172.7	161.4	0	0	113.9	C504 N508	C504-E506 PolarHBondContact O-N 2.96Å; E506-N508 PolarHBondContact O-N 3.37Å
507	G	51.3	Low	64.7	Low	81 Å²	81	77.9 Å²	77.9	84%	0.835	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-66.2	-10.3	176.4	0	0	0	0	0	115.3	D505	D505-G507 PolarHBondContact O-N 3.31Å
508	N	42.6	Very low	62.4	Low	73 Å²	73	80.4 Å²	80.4	39%	0.39	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-108.3	17.1	-176.5	-117.9	-11.4	0	0	0	114.2	D505 E506 G510	D505-N508 PolarHBondContact O-N 2.91Å; D505-N508 VanDerWaalsContact O-N 3.07Å; E506-N508 PolarHBondContact O-N 3.37Å; N508-G510 PolarHBondContact O-N 2.75Å
509	N	43.7	Very low	60.1	Low	116 Å²	116	85 Å²	85	62%	0.62	50%	0.504	S	S	*	.			trans	-75.3	-7.2	173.7	-88.7	-22.8	0	0	0	114.2	S511	N509-S511 PolarHBondContact O-N 2.85Å
510	G	38.6	Very low	58	Low	52 Å²	52	84.6 Å²	84.6	54%	0.536	50%	0.499	S	S	.	.	S	Bend	trans	-64.3	132.9	158.6	0	0	0	0	0	107.3	N508 R512	N508-G510 PolarHBondContact O-N 2.75Å; G510-R512 PolarHBondContact O-N 3.39Å
511	S	42.8	Very low	56.6	Low	86 Å²	86	84.2 Å²	84.2	60%	0.601	49%	0.49	S	S	*	.			trans	-32.7	117.8	173.2	55.5	0	0	0	0	110.3	N509 L513 S514	N509-S511 PolarHBondContact O-N 2.85Å; S511-L513 PolarHBondContact O-N 2.92Å; S511-S514 PolarHBondContact O-N 3.32Å
512	R	51.1	Low	55.5	Low	57 Å²	57	89.1 Å²	89.1	22%	0.215	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-62	3.5	-178.3	-76.6	177.1	162.9	-157.1	-11	113.7	Y58 S502 G510 S514 G515	Y58-R512 PolarHBondContact OH-NH1 3.34Å; S502-R512 PolarHBondContact O-NH2 3.24Å; G510-R512 PolarHBondContact O-N 3.39Å; R512-S514 PolarHBondContact O-N 3.17Å; R512-S514 VanDerWaalsContact O-N 3.09Å; R512-G515 PolarHBondContact O-N 2.98Å
513	L	42.3	Very low	54.5	Low	73 Å²	73	93.9 Å²	93.9	38%	0.382	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-54.9	-3.3	158.6	-82.2	140.4	0	0	0	115.4	S511 G515 L516	S511-L513 PolarHBondContact O-N 2.92Å; L513-G515 PolarHBondContact O-N 3.23Å; L513-L516 HydrophobicContact CD2-CB 3.87Å; L513-L516 HydrophobicContact CD2-CD1 3.51Å; L513-L516 HydrophobicContact CD2-CG 4.26Å; L513-L516 HydrophobicContact CG-CD1 4.17Å; L513-L516 WeakPolarHBondContact O-CB 3.35Å; L513-L516 PolarHBondContact O-N 3.38Å
514	S	40.3	Very low	53.9	Low	85 Å²	85	98.6 Å²	98.6	59%	0.594	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-57.6	-28.7	168.3	62.1	0	0	0	0	112.6	S511 R512 L516	S511-S514 PolarHBondContact O-N 3.32Å; R512-S514 PolarHBondContact O-N 3.17Å; R512-S514 VanDerWaalsContact O-N 3.09Å; S514-L516 VanDerWaalsContact C-N 3.32Å; S514-L516 PolarHBondContact O-N 2.89Å
515	G	37.1	Very low	53.3	Low	61 Å²	61	101.2 Å²	101.2	63%	0.629	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-75.7	-13.9	172.2	0	0	0	0	0	115.2	R512 L513	R512-G515 PolarHBondContact O-N 2.98Å; L513-G515 PolarHBondContact O-N 3.23Å
516	L	40.5	Very low	53.1	Low	60 Å²	60	102.3 Å²	102.3	31%	0.314	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-92.8	-6.7	178.1	-94	146.8	0	0	0	112.9	L513 S514 L518 N519 N520	L513-L516 HydrophobicContact CD2-CB 3.87Å; L513-L516 HydrophobicContact CD2-CD1 3.51Å; L513-L516 HydrophobicContact CD2-CG 4.26Å; L513-L516 HydrophobicContact CG-CD1 4.17Å; L513-L516 WeakPolarHBondContact O-CB 3.35Å; L513-L516 PolarHBondContact O-N 3.38Å; S514-L516 VanDerWaalsContact C-N 3.32Å; S514-L516 PolarHBondContact O-N 2.89Å; L516-L518 VanDerWaalsContact C-N 3.3Å; L516-L518 PolarHBondContact O-N 3.35Å; L516-N519 PolarHBondContact O-N 3.39Å; L516-N520 VanDerWaalsContact CD2-OD1 3.29Å; L516-N520 WeakPolarHBondContact CD2-OD1 3.24Å; L516-N520 VanDerWaalsContact O-CB 3.22Å; L516-N520 WeakPolarHBondContact O-CB 3.24Å; L516-N520 PolarHBondContact O-N 3.47Å
517	H	43	Very low	54	Low	157 Å²	157	98.7 Å²	98.7	73%	0.727	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.5	-178.6	-107.9	-70.6	0	0	0	114.8
518	L	45.8	Very low	55.4	Low	137 Å²	137	98 Å²	98	72%	0.717	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-37.4	174.4	-95.5	91.2	0	0	0	113.6	L516 Y522	L516-L518 VanDerWaalsContact C-N 3.3Å; L516-L518 PolarHBondContact O-N 3.35Å; L518-Y522 WeakPolarHBondContact O-CD2 3.35Å
519	N	49.1	Very low	57.2	Low	99 Å²	99	98.8 Å²	98.8	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-81.8	-30.6	-178.5	-77.7	-14.6	0	0	0	112.8	L516 F521 Y522 Y523	L516-N519 PolarHBondContact O-N 3.39Å; N519-F521 VanDerWaalsContact C-N 3.3Å; N519-F521 PolarHBondContact O-N 3.19Å; N519-Y522 PolarHBondContact O-N 3.09Å; N519-Y523 HydrophobicContact CB-CD2 4.48Å; N519-Y523 VanDerWaalsContact O-CD2 3.31Å; N519-Y523 WeakPolarHBondContact O-CD2 3.49Å; N519-Y523 PolarHBondContact O-N 3.17Å
520	N	51.1	Low	59	Low	61 Å²	61	96.7 Å²	96.7	33%	0.326	51%	0.514	S	S	.	.	H	α-helix	trans	-68.2	-26.9	176	-82	-14.2	0	0	0	113.3	L516 Y522 Y523 L524	L516-N520 VanDerWaalsContact CD2-OD1 3.29Å; L516-N520 WeakPolarHBondContact CD2-OD1 3.24Å; L516-N520 VanDerWaalsContact O-CB 3.22Å; L516-N520 WeakPolarHBondContact O-CB 3.24Å; L516-N520 PolarHBondContact O-N 3.47Å; N520-Y522 VanDerWaalsContact C-N 3.33Å; N520-Y523 PolarHBondContact O-N 2.92Å; N520-L524 WeakPolarHBondContact O-CB 3.35Å; N520-L524 VanDerWaalsContact O-CG 3.31Å; N520-L524 WeakPolarHBondContact O-CG 3.4Å; N520-L524 PolarHBondContact O-N 3.28Å
521	F	63.7	Low	61.2	Low	138 Å²	138	98.6 Å²	98.6	61%	0.605	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-44.5	172.4	-169.4	-96.2	0	0	0	110.3	N519 L525	N519-F521 VanDerWaalsContact C-N 3.3Å; N519-F521 PolarHBondContact O-N 3.19Å; F521-L525 HydrophobicContact CE1-CD1 4.43Å; F521-L525 WeakPolarHBondContact O-CB 3.41Å; F521-L525 PolarHBondContact O-N 2.97Å
522	Y	68.7	Low	63.1	Low	155 Å²	155	101.8 Å²	101.8	61%	0.608	51%	0.512	S	S	*	.	H	α-helix	trans	-68	-40.7	175.1	-66.1	-71.2	0	0	0	112.7	L518 N519 N520 L525 F526	L518-Y522 WeakPolarHBondContact O-CD2 3.35Å; N519-Y522 PolarHBondContact O-N 3.09Å; N520-Y522 VanDerWaalsContact C-N 3.33Å; Y522-L525 PolarHBondContact O-N 3.01Å; Y522-F526 WeakPolarHBondContact O-CB 3.16Å; Y522-F526 PolarHBondContact O-N 2.99Å
523	Y	66.6	Low	64.4	Low	158 Å²	158	103.3 Å²	103.3	62%	0.62	53%	0.527	S	S	*	.	H	α-helix	trans	-66.7	-42	176.7	-87.7	-80.2	0	0	0	112.7	N519 N520 F526 L527	N519-Y523 HydrophobicContact CB-CD2 4.48Å; N519-Y523 VanDerWaalsContact O-CD2 3.31Å; N519-Y523 WeakPolarHBondContact O-CD2 3.49Å; N519-Y523 PolarHBondContact O-N 3.17Å; N520-Y523 PolarHBondContact O-N 2.92Å; Y523-F526 PolarHBondContact O-N 2.54Å; Y523-L527 WeakPolarHBondContact O-CB 3.14Å; Y523-L527 PolarHBondContact O-N 2.85Å
524	L	76.3	Confident	66.2	Low	116 Å²	116	108.3 Å²	108.3	61%	0.607	55%	0.547	S	S	*	.	H	α-helix	trans	-68.3	-39.5	174.8	-76.7	163.4	0	0	0	111.3	N520 F526 L527 S528	N520-L524 WeakPolarHBondContact O-CB 3.35Å; N520-L524 VanDerWaalsContact O-CG 3.31Å; N520-L524 WeakPolarHBondContact O-CG 3.4Å; N520-L524 PolarHBondContact O-N 3.28Å; L524-F526 VanDerWaalsContact C-N 3.32Å; L524-L527 PolarHBondContact O-N 2.82Å; L524-S528 VanDerWaalsContact O-CB 3.29Å; L524-S528 WeakPolarHBondContact O-CB 3.22Å; L524-S528 PolarHBondContact O-N 2.65Å; L524-S528 PolarHBondContact O-OG 3.17Å
525	L	77.8	Confident	68.2	Low	78 Å²	78	110.1 Å²	110.1	41%	0.408	55%	0.548	S	S	.	.	H	α-helix	trans	-62.1	-42.7	172.6	-164.9	85.5	0	0	0	110.3	F521 Y522 S528 I529	F521-L525 HydrophobicContact CE1-CD1 4.43Å; F521-L525 WeakPolarHBondContact O-CB 3.41Å; F521-L525 PolarHBondContact O-N 2.97Å; Y522-L525 PolarHBondContact O-N 3.01Å; L525-S528 VanDerWaalsContact CA-OG 3.29Å; L525-S528 WeakPolarHBondContact CA-OG 3.18Å; L525-S528 PolarHBondContact O-N 2.93Å; L525-S528 PolarHBondContact O-OG 3.17Å; L525-I529 HydrophobicContact CD2-CD1 4.29Å; L525-I529 HydrophobicContact CG-CD1 4.06Å; L525-I529 WeakPolarHBondContact O-CB 3.46Å; L525-I529 WeakPolarHBondContact O-CD1 3.41Å; L525-I529 WeakPolarHBondContact O-CG1 3.48Å; L525-I529 PolarHBondContact O-N 3.05Å
526	F	79.1	Confident	69.5	Low	132 Å²	132	115.1 Å²	115.1	58%	0.579	56%	0.555	S	S	*	*	H	α-helix	trans	-67.8	-43.5	178.2	-158.8	-101.5	0	0	0	111.8	Y522 Y523 L524 I529 I530	Y522-F526 WeakPolarHBondContact O-CB 3.16Å; Y522-F526 PolarHBondContact O-N 2.99Å; Y523-F526 PolarHBondContact O-N 2.54Å; L524-F526 VanDerWaalsContact C-N 3.32Å; F526-I529 PolarHBondContact O-N 3.03Å; F526-I530 HydrophobicContact CD1-CD1 3.54Å; F526-I530 HydrophobicContact CD1-CG1 4.32Å; F526-I530 HydrophobicContact CE1-CD1 3.55Å; F526-I530 HydrophobicContact CE1-CG1 4.33Å; F526-I530 VanDerWaalsContact O-CG1 3.27Å; F526-I530 WeakPolarHBondContact O-CG1 3.04Å; F526-I530 PolarHBondContact O-N 3.3Å
527	L	82.5	Confident	70.9	Confident	98 Å²	98	117.9 Å²	117.9	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-63.4	-40.8	174.2	-110.4	132.2	0	0	0	112.1	Y523 L524 I530 L531	Y523-L527 WeakPolarHBondContact O-CB 3.14Å; Y523-L527 PolarHBondContact O-N 2.85Å; L524-L527 PolarHBondContact O-N 2.82Å; L527-I530 PolarHBondContact O-N 2.96Å; L527-L531 HydrophobicContact CD2-CD1 4.16Å; L527-L531 WeakPolarHBondContact O-CB 3.29Å; L527-L531 WeakPolarHBondContact O-CD1 3.43Å; L527-L531 PolarHBondContact O-N 3.47Å
528	S	80.8	Confident	72.4	Confident	65 Å²	65	115.8 Å²	115.8	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-71.1	-34.5	177	49.8	0	0	0	0	112.4	L524 L525 Y532	L524-S528 VanDerWaalsContact O-CB 3.29Å; L524-S528 WeakPolarHBondContact O-CB 3.22Å; L524-S528 PolarHBondContact O-N 2.65Å; L524-S528 PolarHBondContact O-OG 3.17Å; L525-S528 VanDerWaalsContact CA-OG 3.29Å; L525-S528 WeakPolarHBondContact CA-OG 3.18Å; L525-S528 PolarHBondContact O-N 2.93Å; L525-S528 PolarHBondContact O-OG 3.17Å; S528-Y532 WeakPolarHBondContact O-CB 3.49Å; S528-Y532 PolarHBondContact O-N 3.31Å
529	I	80.8	Confident	73.8	Confident	90 Å²	90	114.6 Å²	114.6	46%	0.462	55%	0.549	S	S	.	.	H	α-helix	trans	-63.1	-47.5	169.5	-70.9	163.6	0	0	0	110.2	L525 F526 L531 Y532 T533	L525-I529 HydrophobicContact CD2-CD1 4.29Å; L525-I529 HydrophobicContact CG-CD1 4.06Å; L525-I529 WeakPolarHBondContact O-CB 3.46Å; L525-I529 WeakPolarHBondContact O-CD1 3.41Å; L525-I529 WeakPolarHBondContact O-CG1 3.48Å; L525-I529 PolarHBondContact O-N 3.05Å; F526-I529 PolarHBondContact O-N 3.03Å; I529-L531 PolarHBondContact O-N 3.39Å; I529-Y532 PolarHBondContact O-N 3.38Å; I529-T533 PolarHBondContact O-N 3.45Å; I529-T533 PolarHBondContact O-OG1 2.96Å
530	I	81.8	Confident	75.3	Confident	72 Å²	72	115.5 Å²	115.5	37%	0.369	55%	0.551	S	S	.	*	H	α-helix	trans	-59.2	-48.8	177	-70.7	167.9	0	0	0	110.6	F526 L527 Y532 T533 F534	F526-I530 HydrophobicContact CD1-CD1 3.54Å; F526-I530 HydrophobicContact CD1-CG1 4.32Å; F526-I530 HydrophobicContact CE1-CD1 3.55Å; F526-I530 HydrophobicContact CE1-CG1 4.33Å; F526-I530 VanDerWaalsContact O-CG1 3.27Å; F526-I530 WeakPolarHBondContact O-CG1 3.04Å; F526-I530 PolarHBondContact O-N 3.3Å; L527-I530 PolarHBondContact O-N 2.96Å; I530-Y532 VanDerWaalsContact C-N 3.34Å; I530-Y532 PolarHBondContact O-N 2.81Å; I530-T533 WeakPolarHBondContact CA-OG1 3.26Å; I530-T533 PolarHBondContact O-N 2.84Å; I530-T533 PolarHBondContact O-OG1 2.69Å; I530-F534 HydrophobicContact CG2-CD2 4.03Å; I530-F534 HydrophobicContact CG2-CE2 4.36Å; I530-F534 PolarHBondContact O-N 3.09Å
531	L	83.7	Confident	76.8	Confident	93 Å²	93	118.9 Å²	118.9	49%	0.487	57%	0.565	S	S	.	*	H	α-helix	trans	-61.4	-41.6	177.6	-103	126.4	0	0	0	111.8	L527 I529 F534 I535	L527-L531 HydrophobicContact CD2-CD1 4.16Å; L527-L531 WeakPolarHBondContact O-CB 3.29Å; L527-L531 WeakPolarHBondContact O-CD1 3.43Å; L527-L531 PolarHBondContact O-N 3.47Å; I529-L531 PolarHBondContact O-N 3.39Å; L531-F534 PolarHBondContact O-N 3.31Å; L531-I535 HydrophobicContact CD2-CD1 4.02Å; L531-I535 WeakPolarHBondContact O-CB 3.48Å; L531-I535 VanDerWaalsContact O-CG1 3.27Å; L531-I535 WeakPolarHBondContact O-CG1 3.48Å; L531-I535 PolarHBondContact O-N 3.16Å
532	Y	82.6	Confident	77.7	Confident	152 Å²	152	117.7 Å²	117.7	60%	0.596	56%	0.562	S	S	*	*	H	α-helix	trans	-62.1	-45.6	176.8	-175.6	-89.8	0	0	0	111.5	S528 I529 I530 F534 I535 H536	S528-Y532 WeakPolarHBondContact O-CB 3.49Å; S528-Y532 PolarHBondContact O-N 3.31Å; I529-Y532 PolarHBondContact O-N 3.38Å; I530-Y532 VanDerWaalsContact C-N 3.34Å; I530-Y532 PolarHBondContact O-N 2.81Å; Y532-F534 PolarHBondContact O-N 2.68Å; Y532-I535 PolarHBondContact O-N 2.67Å; Y532-H536 AromaticContact CD2-CD2 3.64Å; Y532-H536 HydrophobicContact CE1-CB 4.37Å; Y532-H536 AromaticContact CE2-CD2 3.3Å; Y532-H536 WeakPolarHBondContact CE2-CD2 3.23Å; Y532-H536 AromaticContact CE2-NE2 3.82Å; Y532-H536 AromaticContact CZ-CD2 3.59Å; Y532-H536 PolarHBondContact O-N 3.06Å
533	T	79.9	Confident	78.3	Confident	89 Å²	89	115 Å²	115	55%	0.546	56%	0.559	S	S	.	*	H	α-helix	trans	-69.4	-16	175.7	46.9	0	0	0	0	114.8	I529 I530 H536	I529-T533 PolarHBondContact O-N 3.45Å; I529-T533 PolarHBondContact O-OG1 2.96Å; I530-T533 WeakPolarHBondContact CA-OG1 3.26Å; I530-T533 PolarHBondContact O-N 2.84Å; I530-T533 PolarHBondContact O-OG1 2.69Å; T533-H536 VanDerWaalsContact O-OXT 3.13Å
534	F	79.2	Confident	79.2	Confident	179 Å²	179	111.7 Å²	111.7	79%	0.785	55%	0.554	S	S	*	*	H	α-helix	trans	-89.5	-26.8	173.6	-103.4	-84.6	0	0	0	112.4	I530 L531 Y532	I530-F534 HydrophobicContact CG2-CD2 4.03Å; I530-F534 HydrophobicContact CG2-CE2 4.36Å; I530-F534 PolarHBondContact O-N 3.09Å; L531-F534 PolarHBondContact O-N 3.31Å; Y532-F534 PolarHBondContact O-N 2.68Å
535	I	81.3	Confident	79.5	Confident	122 Å²	122	111.3 Å²	111.3	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-89.9	-31.1	-179	-68.2	168.7	0	0	0	111.6	L531 Y532	L531-I535 HydrophobicContact CD2-CD1 4.02Å; L531-I535 WeakPolarHBondContact O-CB 3.48Å; L531-I535 VanDerWaalsContact O-CG1 3.27Å; L531-I535 WeakPolarHBondContact O-CG1 3.48Å; L531-I535 PolarHBondContact O-N 3.16Å; Y532-I535 PolarHBondContact O-N 2.67Å
536	H	64.2	Low	79.6	Confident	166 Å²	166	114.4 Å²	114.4	77%	0.769	56%	0.562	S	S	*	*			trans	-118.5	0	178.2	-67.3	-63.5	0	0	0	110.9	Y532 T533	Y532-H536 AromaticContact CD2-CD2 3.64Å; Y532-H536 HydrophobicContact CE1-CB 4.37Å; Y532-H536 AromaticContact CE2-CD2 3.3Å; Y532-H536 WeakPolarHBondContact CE2-CD2 3.23Å; Y532-H536 AromaticContact CE2-NE2 3.82Å; Y532-H536 AromaticContact CZ-CD2 3.59Å; Y532-H536 PolarHBondContact O-N 3.06Å; T533-H536 VanDerWaalsContact O-OXT 3.13Å

Retrieved 536 of 536 residues in 811.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).